| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.6 | Very low | 65 | Low | 240 Ų | 240 | 109.2 Ų | 109.2 | 100% | 1.182 | 60% | 0.602 | S | S | * | * | 0 | 89.5 | 0 | -72.2 | -176.5 | 166.8 | 0 | 0 | 106.7 | T3 | M1-T3 PolarHBondContact O-N 3.18Å; M1-T3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | A | 39.1 | Very low | 67.1 | Low | 103 Ų | 103 | 107.1 Ų | 107.1 | 85% | 0.851 | 59% | 0.589 | S | S | * | * | trans | -74.2 | 101.7 | 169 | 0 | 0 | 0 | 0 | 0 | 105.5 | S4 | A2-S4 PolarHBondContact O-N 3Š| ||
| 3 | T | 44.8 | Very low | 68.7 | Low | 122 Ų | 122 | 102 Ų | 102 | 75% | 0.748 | 56% | 0.558 | S | S | * | * | trans | -56.9 | 100.6 | 155 | 46.2 | 0 | 0 | 0 | 0 | 103.9 | M1 E5 | M1-T3 PolarHBondContact O-N 3.18Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-E5 VanDerWaalsContact C-N 3.28Å; T3-E5 PolarHBondContact O-N 2.74Å | ||
| 4 | S | 48.7 | Very low | 70 | Confident | 94 Ų | 94 | 106 Ų | 106 | 66% | 0.657 | 58% | 0.578 | S | S | * | * | trans | -54.5 | 107.3 | 166.7 | 54.4 | 0 | 0 | 0 | 0 | 104.4 | A2 M6 | A2-S4 PolarHBondContact O-N 3Å; S4-M6 PolarHBondContact O-N 3.26Å | ||
| 5 | E | 53.5 | Low | 71.1 | Confident | 182 Ų | 182 | 101.3 Ų | 101.3 | 85% | 0.85 | 55% | 0.552 | S | S | * | * | trans | -50.5 | 110.5 | 169.1 | -75 | 174.3 | 159.9 | 0 | 0 | 104.7 | T3 E7 | T3-E5 VanDerWaalsContact C-N 3.28Å; T3-E5 PolarHBondContact O-N 2.74Å; E5-E7 PolarHBondContact O-N 2.95Å | ||
| 6 | M | 58.8 | Low | 72.1 | Confident | 108 Ų | 108 | 97 Ų | 97 | 53% | 0.532 | 54% | 0.539 | S | S | . | . | trans | -64.2 | 114.6 | 177.5 | -72.3 | -158.8 | -171.1 | 0 | 0 | 105.5 | S4 G8 | S4-M6 PolarHBondContact O-N 3.26Å; M6-G8 PolarHBondContact O-N 3.37Å; M6-G8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | E | 77.8 | Confident | 73.1 | Confident | 150 Ų | 150 | 91.3 Ų | 91.3 | 70% | 0.701 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 105.1 | -178.1 | -167.1 | 174.8 | -177.2 | 0 | 0 | 107.2 | E5 W23 | E5-E7 PolarHBondContact O-N 2.95Å; E7-W23 WeakPolarHBondContact O-CA 3.31Å; E7-W23 VanDerWaalsContact O-CB 3.26Å; E7-W23 WeakPolarHBondContact O-CB 3.23Å; E7-W23 PolarHBondContact O-N 3.04Å |
| 8 | G | 85.7 | Confident | 74.1 | Confident | 28 Ų | 28 | 86.8 Ų | 86.8 | 29% | 0.289 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 151.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | M6 F479 | M6-G8 PolarHBondContact O-N 3.37Å; M6-G8 VanDerWaalsContact O-N 3.08Å; G8-F479 VanDerWaalsContact CA-CZ 3.5Å |
| 9 | G | 90 | Very high | 75.1 | Confident | 18 Ų | 18 | 82.2 Ų | 82.2 | 19% | 0.186 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.8 | 178.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G21 W23 | G9-G21 PolarHBondContact N-O 2.87Å; G9-G21 PolarHBondContact O-N 2.8Å; G9-G21 VanDerWaalsContact O-N 3.08Å; G9-W23 PolarHBondContact O-NE1 3.28Å |
| 10 | R | 91.4 | Very high | 76.1 | Confident | 98 Ų | 98 | 78.1 Ų | 78.1 | 37% | 0.37 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.8 | 175 | 171.8 | 170.8 | 170.8 | -174.3 | -2.8 | 110.9 | D12 Y19 V20 S480 E482 | R10-D12 IonicContact CZ-OD1 2.89Å; R10-D12 IonicContact CZ-OD2 3.28Å; R10-D12 IonicContact NE-OD1 2.69Å; R10-D12 PolarHBondContact NE-OD1 2.89Å; R10-D12 IonicContact NE-OD2 3.58Å; R10-D12 PolarHBondContact NE-OD2 3.09Å; R10-D12 IonicContact NH2-OD1 3.1Å; R10-D12 PolarHBondContact NH2-OD1 3.01Å; R10-D12 VanDerWaalsContact NH2-OD1 3.1Å; R10-D12 IonicContact NH2-OD2 2.87Å; R10-D12 PolarHBondContact NH2-OD2 3.33Å; R10-Y19 CarbonylContact C-O 3.27Å; R10-Y19 WeakPolarHBondContact CA-O 3.3Å; R10-V20 HydrophobicContact CB-CG2 4.07Å; R10-V20 HydrophobicContact CG-CG2 3.95Å; R10-S480 VanDerWaalsContact CD-OG 3.26Å; R10-S480 WeakPolarHBondContact CD-OG 3.27Å; R10-S480 PolarHBondContact NH1-OG 2.79Å; R10-E482 IonicContact NH1-OE1 3.55Å; R10-E482 PolarHBondContact NH1-OE1 3.17Å |
| 11 | F | 89.9 | Confident | 76.9 | Confident | 58 Ų | 58 | 74.4 Ų | 74.4 | 25% | 0.254 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 125.8 | 172.7 | -175.7 | -92.1 | 0 | 0 | 0 | 110.1 | F13 S18 Y19 W23 A217 | F11-F13 AromaticContact CD1-CD1 3.81Å; F11-F13 HydrophobicContact CD1-CD1 3.81Å; F11-F13 HydrophobicContact CD1-CD2 4.47Å; F11-F13 AromaticContact CD1-CE1 3.53Å; F11-F13 HydrophobicContact CD1-CE1 3.53Å; F11-F13 HydrophobicContact CD1-CE2 4.26Å; F11-F13 HydrophobicContact CD1-CG 4.23Å; F11-F13 AromaticContact CD1-CZ 3.74Å; F11-F13 HydrophobicContact CD1-CZ 3.74Å; F11-F13 AromaticContact CE1-CD1 3.45Å; F11-F13 HydrophobicContact CE1-CD1 3.45Å; F11-F13 VanDerWaalsContact CE1-CD1 3.45Å; F11-F13 AromaticContact CE1-CE1 3.47Å; F11-F13 HydrophobicContact CE1-CE1 3.47Å; F11-F13 VanDerWaalsContact CE1-CE1 3.47Å; F11-F13 HydrophobicContact CE1-CG 4.13Å; F11-F13 HydrophobicContact CE1-CZ 4.17Å; F11-S18 CarbonylContact O-C 3.55Å; F11-S18 WeakPolarHBondContact O-CA 3.48Å; F11-Y19 PolarHBondContact N-O 3Å; F11-Y19 PolarHBondContact O-N 3.21Å; F11-W23 HydrophobicContact CB-CH2 4Å; F11-W23 HydrophobicContact CB-CZ2 3.51Å; F11-W23 HydrophobicContact CG-CH2 4.32Å; F11-W23 HydrophobicContact CG-CZ2 4.26Å; F11-A217 WeakPolarHBondContact CE2-O 3.11Å |
| 12 | D | 90 | Very high | 79.7 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.3 | 177.5 | -67.3 | -28.5 | 0 | 0 | 0 | 109.7 | R10 S18 | R10-D12 IonicContact CZ-OD1 2.89Å; R10-D12 IonicContact CZ-OD2 3.28Å; R10-D12 IonicContact NE-OD1 2.69Å; R10-D12 PolarHBondContact NE-OD1 2.89Å; R10-D12 IonicContact NE-OD2 3.58Å; R10-D12 PolarHBondContact NE-OD2 3.09Å; R10-D12 IonicContact NH2-OD1 3.1Å; R10-D12 PolarHBondContact NH2-OD1 3.01Å; R10-D12 VanDerWaalsContact NH2-OD1 3.1Å; R10-D12 IonicContact NH2-OD2 2.87Å; R10-D12 PolarHBondContact NH2-OD2 3.33Å; D12-S18 VanDerWaalsContact OD1-CB 3.3Å; D12-S18 WeakPolarHBondContact OD1-CB 3Å; D12-S18 PolarHBondContact OD1-OG 2.81Å |
| 13 | F | 88 | Confident | 82.1 | Confident | 41 Ų | 41 | 61.1 Ų | 61.1 | 18% | 0.18 | 33% | 0.33 | C | S | . | . | trans | -86.4 | 150.3 | -179.6 | -60.8 | -79.5 | 0 | 0 | 0 | 111.1 | F11 D15 G16 G17 L215 | F11-F13 AromaticContact CD1-CD1 3.81Å; F11-F13 HydrophobicContact CD1-CD1 3.81Å; F11-F13 HydrophobicContact CD1-CD2 4.47Å; F11-F13 AromaticContact CD1-CE1 3.53Å; F11-F13 HydrophobicContact CD1-CE1 3.53Å; F11-F13 HydrophobicContact CD1-CE2 4.26Å; F11-F13 HydrophobicContact CD1-CG 4.23Å; F11-F13 AromaticContact CD1-CZ 3.74Å; F11-F13 HydrophobicContact CD1-CZ 3.74Å; F11-F13 AromaticContact CE1-CD1 3.45Å; F11-F13 HydrophobicContact CE1-CD1 3.45Å; F11-F13 VanDerWaalsContact CE1-CD1 3.45Å; F11-F13 AromaticContact CE1-CE1 3.47Å; F11-F13 HydrophobicContact CE1-CE1 3.47Å; F11-F13 VanDerWaalsContact CE1-CE1 3.47Å; F11-F13 HydrophobicContact CE1-CG 4.13Å; F11-F13 HydrophobicContact CE1-CZ 4.17Å; F13-D15 WeakPolarHBondContact CB-OD1 3.44Å; F13-D15 PolarHBondContact O-N 3.2Å; F13-G16 PolarHBondContact O-N 3.01Å; F13-G17 WeakPolarHBondContact CD2-O 3.4Å; F13-G17 PolarHBondContact N-O 3.44Å; F13-L215 HydrophobicContact CE1-CD2 3.96Å; F13-L215 HydrophobicContact CE2-CD2 4.29Å; F13-L215 HydrophobicContact CZ-CD2 3.49Å; F13-L215 VanDerWaalsContact CZ-CD2 3.49Å | ||
| 14 | D | 87.4 | Confident | 84.3 | Confident | 158 Ų | 158 | 57.4 Ų | 57.4 | 85% | 0.845 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.5 | 177.4 | -78.4 | -16.5 | 0 | 0 | 0 | 114.4 | G16 | D14-G16 VanDerWaalsContact C-N 3.34Š|
| 15 | D | 86.5 | Confident | 86.2 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 19% | 0.187 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.4 | 177.7 | 67.8 | -0.5 | 0 | 0 | 0 | 113.3 | F13 G17 P37 E38 S263 | F13-D15 WeakPolarHBondContact CB-OD1 3.44Å; F13-D15 PolarHBondContact O-N 3.2Å; D15-G17 PolarHBondContact OD1-N 3.37Å; D15-P37 HydrophobicContact CB-CB 4.08Å; D15-P37 WeakPolarHBondContact OD2-CG 3.48Å; D15-E38 PolarHBondContact O-N 3.35Å; D15-S263 WeakPolarHBondContact OD2-CB 3.2Å; D15-S263 PolarHBondContact OD2-OG 3.07Å |
| 16 | G | 86.7 | Confident | 87.8 | Confident | 33 Ų | 33 | 53 Ų | 53 | 34% | 0.34 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 83.2 | 6.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F13 D14 N39 | F13-G16 PolarHBondContact O-N 3.01Å; D14-G16 VanDerWaalsContact C-N 3.34Å; G16-N39 PolarHBondContact O-N 3.26Å; G16-N39 PolarHBondContact O-ND2 2.97Å; G16-N39 PolarHBondContact O-OD1 2.58Å |
| 17 | G | 89.1 | Confident | 89.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -76.9 | 167.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F13 D15 G36 | F13-G17 WeakPolarHBondContact CD2-O 3.4Å; F13-G17 PolarHBondContact N-O 3.44Å; D15-G17 PolarHBondContact OD1-N 3.37Å; G17-G36 VanDerWaalsContact CA-O 3.29Å; G17-G36 WeakPolarHBondContact CA-O 3.46Å | ||
| 18 | S | 91.4 | Very high | 90 | Very high | 10 Ų | 10 | 44 Ų | 44 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.1 | 176.2 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | F11 D12 A34 T35 | F11-S18 CarbonylContact O-C 3.55Å; F11-S18 WeakPolarHBondContact O-CA 3.48Å; D12-S18 VanDerWaalsContact OD1-CB 3.3Å; D12-S18 WeakPolarHBondContact OD1-CB 3Å; D12-S18 PolarHBondContact OD1-OG 2.81Å; S18-A34 CarbonylContact O-C 3.53Å; S18-A34 WeakPolarHBondContact O-CA 3.43Å; S18-T35 PolarHBondContact N-OG1 3.3Å; S18-T35 PolarHBondContact O-N 3.34Å; S18-T35 PolarHBondContact O-OG1 3.22Å |
| 19 | Y | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.4 | 166.6 | 174.6 | -92.8 | 0 | 0 | 0 | 109.7 | R10 F11 E22 W23 A28 I33 A34 W47 L215 | R10-Y19 CarbonylContact C-O 3.27Å; R10-Y19 WeakPolarHBondContact CA-O 3.3Å; F11-Y19 PolarHBondContact N-O 3Å; F11-Y19 PolarHBondContact O-N 3.21Å; Y19-E22 PolarHBondContact OH-O 3.1Å; Y19-W23 HydrophobicContact CD1-CD2 4.5Å; Y19-W23 AromaticContact CD1-CE2 3.61Å; Y19-W23 AromaticContact CD1-CH2 3.69Å; Y19-W23 HydrophobicContact CD1-CH2 3.69Å; Y19-W23 AromaticContact CD1-CZ2 3.17Å; Y19-W23 HydrophobicContact CD1-CZ2 3.17Å; Y19-W23 HydrophobicContact CE1-CD2 4.1Å; Y19-W23 AromaticContact CE1-CE2 3.56Å; Y19-W23 HydrophobicContact CE1-CH2 4.11Å; Y19-W23 AromaticContact CE1-CZ2 3.61Å; Y19-W23 HydrophobicContact CE1-CZ2 3.61Å; Y19-W23 AromaticContact CE1-NE1 3.81Å; Y19-W23 HydrophobicContact CG-CH2 4.33Å; Y19-W23 HydrophobicContact CG-CZ2 4.14Å; Y19-A28 HydrophobicContact CD2-CB 4.38Å; Y19-A28 HydrophobicContact CE1-CB 4.19Å; Y19-A28 HydrophobicContact CE2-CB 3.67Å; Y19-I33 CarbonylContact C-O 3.51Å; Y19-I33 VanDerWaalsContact CA-O 3.26Å; Y19-I33 WeakPolarHBondContact CA-O 3.26Å; Y19-I33 WeakPolarHBondContact CD2-O 3.26Å; Y19-A34 HydrophobicContact CD2-CB 4.06Å; Y19-W47 HydrophobicContact CD2-CZ2 4.36Å; Y19-W47 HydrophobicContact CE2-CD2 4.16Å; Y19-W47 AromaticContact CE2-CE2 3.77Å; Y19-W47 HydrophobicContact CE2-CG 4.3Å; Y19-W47 HydrophobicContact CE2-CZ2 4.2Å; Y19-W47 AromaticContact CE2-NE1 3.69Å; Y19-L215 HydrophobicContact CD2-CD1 3.85Å; Y19-L215 HydrophobicContact CE2-CD1 4.33Å |
| 20 | V | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 118.7 | 172.3 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | R10 G32 I33 A476 F479 F483 | R10-V20 HydrophobicContact CB-CG2 4.07Å; R10-V20 HydrophobicContact CG-CG2 3.95Å; V20-G32 CarbonylContact O-C 3.52Å; V20-G32 VanDerWaalsContact O-CA 3.28Å; V20-G32 WeakPolarHBondContact O-CA 2.95Å; V20-I33 PolarHBondContact N-O 3.22Å; V20-I33 PolarHBondContact O-N 2.83Å; V20-A476 HydrophobicContact CB-CB 4.17Å; V20-A476 HydrophobicContact CG1-CB 3.94Å; V20-F479 HydrophobicContact CG1-CB 3.9Å; V20-F483 HydrophobicContact CG2-CB 4.2Å; V20-F483 HydrophobicContact CG2-CD1 4Å; V20-F483 HydrophobicContact CG2-CD2 3.83Å; V20-F483 HydrophobicContact CG2-CE1 4.32Å; V20-F483 HydrophobicContact CG2-CE2 4.18Å; V20-F483 HydrophobicContact CG2-CG 3.73Å; V20-F483 HydrophobicContact CG2-CZ 4.4Å |
| 21 | G | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164.5 | -162.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G9 L31 | G9-G21 PolarHBondContact N-O 2.87Å; G9-G21 PolarHBondContact O-N 2.8Å; G9-G21 VanDerWaalsContact O-N 3.08Å; G21-L31 WeakPolarHBondContact CA-O 3.38Å |
| 22 | E | 93.3 | Very high | 91 | Very high | 40 Ų | 40 | 38.6 Ų | 38.6 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 149.7 | -178.2 | -61.7 | 169.1 | 146.6 | 0 | 0 | 111.7 | Y19 H29 G30 L31 F479 | Y19-E22 PolarHBondContact OH-O 3.1Å; E22-H29 CarbonylContact C-O 3.57Å; E22-H29 VanDerWaalsContact CB-O 3.25Å; E22-H29 WeakPolarHBondContact CB-O 3.44Å; E22-H29 PolarHBondContact O-N 2.88Å; E22-H29 VanDerWaalsContact O-N 3.17Å; E22-G30 VanDerWaalsContact OE2-CA 3.23Å; E22-G30 WeakPolarHBondContact OE2-CA 3.32Å; E22-L31 PolarHBondContact N-O 3.21Å; E22-L31 VanDerWaalsContact N-O 3.12Å; E22-L31 PolarHBondContact OE2-N 2.98Å; E22-F479 HydrophobicContact CG-CE2 4.3Å |
| 23 | W | 90.9 | Very high | 91.2 | Very high | 24 Ų | 24 | 34.6 Ų | 34.6 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.6 | 178.3 | -61.5 | 92 | 0 | 0 | 0 | 111.2 | E7 G9 F11 Y19 R27 A28 A217 | E7-W23 WeakPolarHBondContact O-CA 3.31Å; E7-W23 VanDerWaalsContact O-CB 3.26Å; E7-W23 WeakPolarHBondContact O-CB 3.23Å; E7-W23 PolarHBondContact O-N 3.04Å; G9-W23 PolarHBondContact O-NE1 3.28Å; F11-W23 HydrophobicContact CB-CH2 4Å; F11-W23 HydrophobicContact CB-CZ2 3.51Å; F11-W23 HydrophobicContact CG-CH2 4.32Å; F11-W23 HydrophobicContact CG-CZ2 4.26Å; Y19-W23 HydrophobicContact CD1-CD2 4.5Å; Y19-W23 AromaticContact CD1-CE2 3.61Å; Y19-W23 AromaticContact CD1-CH2 3.69Å; Y19-W23 HydrophobicContact CD1-CH2 3.69Å; Y19-W23 AromaticContact CD1-CZ2 3.17Å; Y19-W23 HydrophobicContact CD1-CZ2 3.17Å; Y19-W23 HydrophobicContact CE1-CD2 4.1Å; Y19-W23 AromaticContact CE1-CE2 3.56Å; Y19-W23 HydrophobicContact CE1-CH2 4.11Å; Y19-W23 AromaticContact CE1-CZ2 3.61Å; Y19-W23 HydrophobicContact CE1-CZ2 3.61Å; Y19-W23 AromaticContact CE1-NE1 3.81Å; Y19-W23 HydrophobicContact CG-CH2 4.33Å; Y19-W23 HydrophobicContact CG-CZ2 4.14Å; W23-R27 WeakPolarHBondContact CA-O 3.23Å; W23-R27 VanDerWaalsContact CE3-C 3.49Å; W23-A28 HydrophobicContact CZ3-CB 4.46Å; W23-A217 HydrophobicContact CD2-CB 4.18Å; W23-A217 HydrophobicContact CE3-CB 3.72Å; W23-A217 HydrophobicContact CH2-CB 3.9Å; W23-A217 HydrophobicContact CZ2-CB 4.32Å; W23-A217 HydrophobicContact CZ3-CB 3.59Å; W23-A217 VanDerWaalsContact CZ3-N 3.29Å |
| 24 | C | 90.8 | Very high | 91.5 | Very high | 45 Ų | 45 | 33.1 Ų | 33.1 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 124.3 | 171.3 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | G26 R27 H29 M49 | C24-G26 PolarHBondContact O-N 2.89Å; C24-R27 PolarHBondContact N-O 3.03Å; C24-R27 WeakPolarHBondContact O-CA 3.29Å; C24-R27 WeakPolarHBondContact O-CB 3.3Å; C24-R27 PolarHBondContact O-N 2.8Å; C24-R27 VanDerWaalsContact O-O 3.1Å; C24-H29 HydrophobicContact CB-CB 3.49Å; C24-H29 VanDerWaalsContact CB-CB 3.49Å; C24-M49 HydrophobicContact CB-SD 4.49Å |
| 25 | E | 88.3 | Confident | 91.7 | Very high | 150 Ų | 150 | 26 Ų | 26 | 70% | 0.701 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 39.1 | -176.9 | -56.2 | 177.7 | 167.2 | 0 | 0 | 113.2 | R27 M49 | E25-R27 PolarHBondContact O-N 2.62Å; E25-R27 IonicContact OE2-CZ 2.95Å; E25-R27 IonicContact OE2-NH2 3.42Å; E25-R27 PolarHBondContact OE2-NH2 2.95Å; E25-M49 HydrophobicContact CB-CE 4.38Å; E25-M49 HydrophobicContact CG-CE 4.37Å; E25-M49 VanDerWaalsContact OE2-CE 3.24Å; E25-M49 WeakPolarHBondContact OE2-CE 3.23Å |
| 26 | G | 86.7 | Confident | 91.7 | Very high | 32 Ų | 32 | 25.1 Ų | 25.1 | 33% | 0.33 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 20.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | C24 R216 A217 | C24-G26 PolarHBondContact O-N 2.89Å; G26-R216 CarbonylContact O-C 3.49Å; G26-R216 WeakPolarHBondContact O-CA 3.24Å; G26-A217 PolarHBondContact O-N 2.87Å |
| 27 | R | 90.6 | Very high | 91.7 | Very high | 71 Ų | 71 | 25.3 Ų | 25.3 | 27% | 0.268 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.1 | 173.9 | -71.4 | -176.5 | -77.1 | 179 | -5.9 | 110.4 | W23 C24 E25 H29 M49 V214 L215 R216 | W23-R27 WeakPolarHBondContact CA-O 3.23Å; W23-R27 VanDerWaalsContact CE3-C 3.49Å; C24-R27 PolarHBondContact N-O 3.03Å; C24-R27 WeakPolarHBondContact O-CA 3.29Å; C24-R27 WeakPolarHBondContact O-CB 3.3Å; C24-R27 PolarHBondContact O-N 2.8Å; C24-R27 VanDerWaalsContact O-O 3.1Å; E25-R27 PolarHBondContact O-N 2.62Å; E25-R27 IonicContact OE2-CZ 2.95Å; E25-R27 IonicContact OE2-NH2 3.42Å; E25-R27 PolarHBondContact OE2-NH2 2.95Å; R27-H29 PolarHBondContact O-N 3.39Å; R27-M49 VanDerWaalsContact CZ-CE 3.42Å; R27-V214 HydrophobicContact CG-CG1 4.26Å; R27-L215 WeakPolarHBondContact CA-O 3.45Å; R27-R216 HydrophobicContact CG-CG 3.95Å |
| 28 | A | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 127.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y19 W23 W47 M49 G50 L215 | Y19-A28 HydrophobicContact CD2-CB 4.38Å; Y19-A28 HydrophobicContact CE1-CB 4.19Å; Y19-A28 HydrophobicContact CE2-CB 3.67Å; W23-A28 HydrophobicContact CZ3-CB 4.46Å; A28-W47 HydrophobicContact CB-CB 4.22Å; A28-W47 HydrophobicContact CB-CD2 4.13Å; A28-W47 HydrophobicContact CB-CE3 4.09Å; A28-W47 HydrophobicContact CB-CG 4.2Å; A28-M49 PolarHBondContact O-N 2.74Å; A28-G50 WeakPolarHBondContact O-CA 3.23Å; A28-G50 PolarHBondContact O-N 2.78Å; A28-L215 HydrophobicContact CB-CB 3.71Å; A28-L215 HydrophobicContact CB-CD1 4.15Å; A28-L215 PolarHBondContact N-O 2.89Å |
| 29 | H | 93.5 | Very high | 91.1 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 161.2 | -179.5 | -170.4 | 84.1 | 0 | 0 | 0 | 108.9 | E22 C24 R27 W47 | E22-H29 CarbonylContact C-O 3.57Å; E22-H29 VanDerWaalsContact CB-O 3.25Å; E22-H29 WeakPolarHBondContact CB-O 3.44Å; E22-H29 PolarHBondContact O-N 2.88Å; E22-H29 VanDerWaalsContact O-N 3.17Å; C24-H29 HydrophobicContact CB-CB 3.49Å; C24-H29 VanDerWaalsContact CB-CB 3.49Å; R27-H29 PolarHBondContact O-N 3.39Å; H29-W47 CarbonylContact C-O 3.59Å; H29-W47 WeakPolarHBondContact CA-O 3.35Å |
| 30 | G | 93.9 | Very high | 90.7 | Very high | 14 Ų | 14 | 39.2 Ų | 39.2 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.8 | -138 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E22 E46 W47 | E22-G30 VanDerWaalsContact OE2-CA 3.23Å; E22-G30 WeakPolarHBondContact OE2-CA 3.32Å; G30-E46 CarbonylContact O-C 3.57Å; G30-E46 VanDerWaalsContact O-CA 3.27Å; G30-E46 WeakPolarHBondContact O-CA 3.33Å; G30-W47 PolarHBondContact N-O 2.8Å; G30-W47 PolarHBondContact O-N 2.75Å |
| 31 | L | 96 | Very high | 90.5 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.5 | -176.8 | -66.7 | 174.7 | 0 | 0 | 0 | 112 | G21 E22 E46 L468 E471 A472 I475 | G21-L31 WeakPolarHBondContact CA-O 3.38Å; E22-L31 PolarHBondContact N-O 3.21Å; E22-L31 VanDerWaalsContact N-O 3.12Å; E22-L31 PolarHBondContact OE2-N 2.98Å; L31-E46 HydrophobicContact CD2-CB 4.43Å; L31-L468 HydrophobicContact CD2-CB 4.32Å; L31-L468 HydrophobicContact CD2-CD2 4.03Å; L31-E471 HydrophobicContact CD1-CB 3.83Å; L31-A472 HydrophobicContact CB-CB 4.17Å; L31-A472 HydrophobicContact CD2-CB 4.47Å; L31-I475 HydrophobicContact CB-CD1 3.65Å; L31-I475 HydrophobicContact CD1-CD1 3.56Å; L31-I475 HydrophobicContact CG-CD1 4.23Å |
| 32 | G | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 167.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | V20 G45 W47 | V20-G32 CarbonylContact O-C 3.52Å; V20-G32 VanDerWaalsContact O-CA 3.28Å; V20-G32 WeakPolarHBondContact O-CA 2.95Å; G32-G45 PolarHBondContact N-O 3.2Å; G32-G45 PolarHBondContact O-N 2.93Å; G32-G45 VanDerWaalsContact O-N 3.12Å; G32-W47 PolarHBondContact O-NE1 2.78Å; G32-W47 VanDerWaalsContact O-NE1 3.08Å |
| 33 | I | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.8 | 175.9 | -55.5 | -173.7 | 0 | 0 | 0 | 109.1 | Y19 V20 E42 Y43 A472 R473 A476 F483 Q485 | Y19-I33 CarbonylContact C-O 3.51Å; Y19-I33 VanDerWaalsContact CA-O 3.26Å; Y19-I33 WeakPolarHBondContact CA-O 3.26Å; Y19-I33 WeakPolarHBondContact CD2-O 3.26Å; V20-I33 PolarHBondContact N-O 3.22Å; V20-I33 PolarHBondContact O-N 2.83Å; I33-E42 HydrophobicContact CG2-CG 3.58Å; I33-Y43 CarbonylContact C-O 3.49Å; I33-Y43 VanDerWaalsContact CA-O 3.23Å; I33-Y43 WeakPolarHBondContact CA-O 3.34Å; I33-Y43 WeakPolarHBondContact CG2-O 3.26Å; I33-A472 HydrophobicContact CG1-CB 4.44Å; I33-R473 HydrophobicContact CD1-CB 4.21Å; I33-R473 HydrophobicContact CD1-CG 3.57Å; I33-A476 HydrophobicContact CD1-CB 3.65Å; I33-A476 HydrophobicContact CG1-CB 4.04Å; I33-F483 HydrophobicContact CB-CE1 4.19Å; I33-F483 HydrophobicContact CD1-CE1 4.38Å; I33-F483 HydrophobicContact CG2-CE1 3.84Å; I33-F483 HydrophobicContact CG2-CZ 4.05Å; I33-Q485 HydrophobicContact CD1-CG 4.25Å |
| 34 | A | 93.6 | Very high | 90.8 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 8% | 0.083 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S18 Y19 E42 Y43 W47 L215 | S18-A34 CarbonylContact O-C 3.53Å; S18-A34 WeakPolarHBondContact O-CA 3.43Å; Y19-A34 HydrophobicContact CD2-CB 4.06Å; A34-E42 WeakPolarHBondContact O-CA 3.49Å; A34-Y43 PolarHBondContact N-O 3Å; A34-Y43 PolarHBondContact O-N 2.91Å; A34-W47 HydrophobicContact CB-CH2 3.7Å; A34-W47 HydrophobicContact CB-CZ2 3.44Å; A34-W47 VanDerWaalsContact CB-CZ2 3.44Å; A34-L215 HydrophobicContact CB-CD1 4.05Å |
| 35 | T | 91.4 | Very high | 91.1 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.055 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 146.9 | 165.6 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | S18 N39 G41 E42 F483 | S18-T35 PolarHBondContact N-OG1 3.3Å; S18-T35 PolarHBondContact O-N 3.34Å; S18-T35 PolarHBondContact O-OG1 3.22Å; T35-N39 PolarHBondContact OG1-OD1 2.95Å; T35-G41 CarbonylContact C-O 3.47Å; T35-G41 VanDerWaalsContact CA-O 3.31Å; T35-G41 WeakPolarHBondContact CA-O 3.12Å; T35-E42 HydrophobicContact CG2-CG 4.47Å; T35-F483 HydrophobicContact CG2-CE2 4.29Å; T35-F483 HydrophobicContact CG2-CZ 3.9Å |
| 36 | G | 87 | Confident | 91.5 | Very high | 15 Ų | 15 | 29.4 Ų | 29.4 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | trans | -73 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G17 N39 Q40 G41 | G17-G36 VanDerWaalsContact CA-O 3.29Å; G17-G36 WeakPolarHBondContact CA-O 3.46Å; G36-N39 VanDerWaalsContact O-CA 3.3Å; G36-N39 WeakPolarHBondContact O-CA 3.35Å; G36-N39 PolarHBondContact O-N 3.42Å; G36-Q40 VanDerWaalsContact CA-O 3.3Å; G36-Q40 WeakPolarHBondContact CA-O 3.21Å; G36-Q40 PolarHBondContact N-O 3.5Å; G36-Q40 PolarHBondContact O-N 3.44Å; G36-G41 PolarHBondContact N-O 3.13Å | ||
| 37 | P | 86.1 | Confident | 91.8 | Very high | 37 Ų | 37 | 28 Ų | 28 | 24% | 0.24 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -50.2 | 140.6 | 177.3 | -21.9 | 28.7 | 0 | 0 | 0 | 111.6 | D15 N39 Q40 | D15-P37 HydrophobicContact CB-CB 4.08Å; D15-P37 WeakPolarHBondContact OD2-CG 3.48Å; P37-N39 PolarHBondContact O-N 3.26Å; P37-N39 VanDerWaalsContact O-N 3.15Å; P37-Q40 VanDerWaalsContact O-CB 3.23Å; P37-Q40 WeakPolarHBondContact O-CB 3.44Å; P37-Q40 VanDerWaalsContact O-CG 3.23Å; P37-Q40 WeakPolarHBondContact O-CG 3.43Å; P37-Q40 PolarHBondContact O-N 3.23Å |
| 38 | E | 85.4 | Confident | 91.9 | Very high | 150 Ų | 150 | 28.9 Ų | 28.9 | 70% | 0.701 | 15% | 0.154 | S | C | * | . | G | 310 helix | trans | 51.9 | 33.3 | -176.6 | -55.9 | 179.7 | 179.7 | 0 | 0 | 113.3 | D15 Q40 | D15-E38 PolarHBondContact O-N 3.35Å; E38-Q40 HydrophobicContact CB-CG 4.35Å; E38-Q40 PolarHBondContact O-N 3.23Å |
| 39 | N | 83.2 | Confident | 91.9 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 33% | 0.332 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | 54.2 | 33.9 | -172.9 | -63.8 | -57.9 | 0 | 0 | 0 | 114.2 | G16 T35 G36 P37 G41 L486 W490 | G16-N39 PolarHBondContact O-N 3.26Å; G16-N39 PolarHBondContact O-ND2 2.97Å; G16-N39 PolarHBondContact O-OD1 2.58Å; T35-N39 PolarHBondContact OG1-OD1 2.95Å; G36-N39 VanDerWaalsContact O-CA 3.3Å; G36-N39 WeakPolarHBondContact O-CA 3.35Å; G36-N39 PolarHBondContact O-N 3.42Å; P37-N39 PolarHBondContact O-N 3.26Å; P37-N39 VanDerWaalsContact O-N 3.15Å; N39-G41 PolarHBondContact O-N 3.42Å; N39-L486 HydrophobicContact CB-CD1 3.54Å; N39-W490 WeakPolarHBondContact O-CH2 3.24Å |
| 40 | Q | 84.8 | Confident | 91.8 | Very high | 90 Ų | 90 | 28.6 Ų | 28.6 | 42% | 0.421 | 15% | 0.153 | S | C | . | . | trans | -88.3 | 105.2 | 178 | -62.7 | -65.2 | -39.9 | 0 | 0 | 111.2 | G36 P37 E38 P60 | G36-Q40 VanDerWaalsContact CA-O 3.3Å; G36-Q40 WeakPolarHBondContact CA-O 3.21Å; G36-Q40 PolarHBondContact N-O 3.5Å; G36-Q40 PolarHBondContact O-N 3.44Å; P37-Q40 VanDerWaalsContact O-CB 3.23Å; P37-Q40 WeakPolarHBondContact O-CB 3.44Å; P37-Q40 VanDerWaalsContact O-CG 3.23Å; P37-Q40 WeakPolarHBondContact O-CG 3.43Å; P37-Q40 PolarHBondContact O-N 3.23Å; E38-Q40 HydrophobicContact CB-CG 4.35Å; E38-Q40 PolarHBondContact O-N 3.23Å; Q40-P60 HydrophobicContact CB-CG 4.15Å | ||
| 41 | G | 89.9 | Confident | 91.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 79.7 | 152.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T35 G36 N39 I58 W490 | T35-G41 CarbonylContact C-O 3.47Å; T35-G41 VanDerWaalsContact CA-O 3.31Å; T35-G41 WeakPolarHBondContact CA-O 3.12Å; G36-G41 PolarHBondContact N-O 3.13Å; N39-G41 PolarHBondContact O-N 3.42Å; G41-I58 CarbonylContact C-O 3.54Å; G41-I58 VanDerWaalsContact CA-O 3.23Å; G41-I58 WeakPolarHBondContact CA-O 3.41Å; G41-W490 VanDerWaalsContact CA-CZ3 3.48Å; G41-W490 VanDerWaalsContact N-CH2 3.33Å |
| 42 | E | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 125.8 | -173 | -176.4 | -175.1 | 94 | 0 | 0 | 108.7 | I33 A34 T35 Y57 I58 R473 Q485 L486 G487 W490 | I33-E42 HydrophobicContact CG2-CG 3.58Å; A34-E42 WeakPolarHBondContact O-CA 3.49Å; T35-E42 HydrophobicContact CG2-CG 4.47Å; E42-Y57 CarbonylContact O-C 3.52Å; E42-Y57 VanDerWaalsContact O-CA 3.3Å; E42-Y57 WeakPolarHBondContact O-CA 3.3Å; E42-I58 PolarHBondContact N-O 2.75Å; E42-I58 PolarHBondContact O-N 3.28Å; E42-R473 IonicContact OE1-CZ 2.71Å; E42-R473 IonicContact OE1-NH1 2.81Å; E42-R473 IonicContact OE1-NH2 2.78Å; E42-R473 PolarHBondContact OE1-NH2 2.93Å; E42-Q485 VanDerWaalsContact OE2-C 3.25Å; E42-Q485 WeakPolarHBondContact OE2-CA 3.22Å; E42-L486 PolarHBondContact OE2-N 2.93Å; E42-L486 VanDerWaalsContact OE2-N 3.08Å; E42-G487 VanDerWaalsContact CD-N 3.3Å; E42-G487 VanDerWaalsContact OE1-CA 3.28Å; E42-G487 WeakPolarHBondContact OE1-CA 3.13Å; E42-G487 PolarHBondContact OE1-N 2.98Å; E42-G487 PolarHBondContact OE2-N 2.93Å; E42-W490 HydrophobicContact CB-CZ3 3.99Å |
| 43 | Y | 95.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133.5 | 163.9 | -178.6 | -92.9 | 0 | 0 | 0 | 109.1 | I33 A34 E46 W47 E52 R54 G55 V56 Y57 W69 | I33-Y43 CarbonylContact C-O 3.49Å; I33-Y43 VanDerWaalsContact CA-O 3.23Å; I33-Y43 WeakPolarHBondContact CA-O 3.34Å; I33-Y43 WeakPolarHBondContact CG2-O 3.26Å; A34-Y43 PolarHBondContact N-O 3Å; A34-Y43 PolarHBondContact O-N 2.91Å; Y43-E46 PolarHBondContact OH-O 3.15Å; Y43-W47 AromaticContact CD1-CE2 3.49Å; Y43-W47 VanDerWaalsContact CD1-CE2 3.49Å; Y43-W47 AromaticContact CD1-CH2 3.94Å; Y43-W47 HydrophobicContact CD1-CH2 3.94Å; Y43-W47 AromaticContact CD1-CZ2 3.18Å; Y43-W47 HydrophobicContact CD1-CZ2 3.18Å; Y43-W47 AromaticContact CD1-NE1 3.69Å; Y43-W47 HydrophobicContact CE1-CD2 4.25Å; Y43-W47 AromaticContact CE1-CE2 3.59Å; Y43-W47 HydrophobicContact CE1-CH2 4.45Å; Y43-W47 AromaticContact CE1-CZ2 3.75Å; Y43-W47 HydrophobicContact CE1-CZ2 3.75Å; Y43-W47 AromaticContact CE1-NE1 3.6Å; Y43-W47 HydrophobicContact CG-CH2 4.42Å; Y43-W47 AromaticContact CG-CZ2 3.99Å; Y43-W47 HydrophobicContact CG-CZ2 3.99Å; Y43-E52 HydrophobicContact CD1-CG 3.98Å; Y43-E52 HydrophobicContact CD2-CB 4.34Å; Y43-E52 HydrophobicContact CD2-CG 3.73Å; Y43-E52 HydrophobicContact CE1-CB 4.17Å; Y43-E52 HydrophobicContact CE1-CG 3.8Å; Y43-E52 HydrophobicContact CE2-CB 3.67Å; Y43-E52 HydrophobicContact CE2-CG 3.56Å; Y43-E52 HydrophobicContact CG-CG 3.9Å; Y43-R54 PolarHBondContact OH-N 3.36Å; Y43-R54 PolarHBondContact OH-O 3Å; Y43-G55 PolarHBondContact OH-N 3.02Å; Y43-V56 CarbonylContact C-O 3.43Å; Y43-V56 WeakPolarHBondContact CA-O 3.39Å; Y43-Y57 HydrophobicContact CD2-CD2 4.33Å; Y43-W69 HydrophobicContact CD2-CZ2 4.33Å; Y43-W69 AromaticContact CE2-CD1 3.77Å; Y43-W69 HydrophobicContact CE2-CD2 4.15Å; Y43-W69 AromaticContact CE2-CE2 3.79Å; Y43-W69 HydrophobicContact CE2-CG 4.14Å; Y43-W69 HydrophobicContact CE2-CZ2 4.36Å; Y43-W69 AromaticContact CE2-NE1 3.55Å |
| 44 | S | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 124.7 | 170.7 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | G55 V56 S469 R473 | S44-G55 WeakPolarHBondContact O-CA 3.47Å; S44-V56 PolarHBondContact N-O 3.43Å; S44-V56 PolarHBondContact O-N 3.17Å; S44-S469 WeakPolarHBondContact O-CB 3.27Å; S44-S469 PolarHBondContact OG-OG 3.37Å; S44-R473 PolarHBondContact OG-NE 3.2Å; S44-R473 PolarHBondContact OG-NH2 3.42Å |
| 45 | G | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.3 | -148.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G32 | G32-G45 PolarHBondContact N-O 3.2Å; G32-G45 PolarHBondContact O-N 2.93Å; G32-G45 VanDerWaalsContact O-N 3.12Å |
| 46 | E | 96.1 | Very high | 91.8 | Very high | 53 Ų | 53 | 34.1 Ų | 34.1 | 25% | 0.248 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 135.9 | -175.2 | -171.8 | -168.9 | -136.9 | 0 | 0 | 112.2 | G30 L31 Y43 S53 R54 L468 | G30-E46 CarbonylContact O-C 3.57Å; G30-E46 VanDerWaalsContact O-CA 3.27Å; G30-E46 WeakPolarHBondContact O-CA 3.33Å; L31-E46 HydrophobicContact CD2-CB 4.43Å; Y43-E46 PolarHBondContact OH-O 3.15Å; E46-S53 WeakPolarHBondContact CB-OG 3.37Å; E46-S53 VanDerWaalsContact CD-OG 3.26Å; E46-S53 WeakPolarHBondContact CG-OG 3.4Å; E46-S53 PolarHBondContact O-N 3.41Å; E46-S53 PolarHBondContact O-OG 2.82Å; E46-S53 VanDerWaalsContact O-OG 3.05Å; E46-S53 PolarHBondContact OE2-OG 3.08Å; E46-R54 HydrophobicContact CB-CB 4.38Å; E46-R54 WeakPolarHBondContact CB-O 3.44Å; E46-R54 VanDerWaalsContact CD-NH2 3.32Å; E46-R54 PolarHBondContact N-O 2.84Å; E46-R54 IonicContact OE1-CZ 3.76Å; E46-R54 IonicContact OE1-NH2 3.9Å; E46-R54 PolarHBondContact OE1-NH2 2.85Å; E46-R54 IonicContact OE2-CZ 3.66Å; E46-R54 IonicContact OE2-NE 2.72Å; E46-R54 PolarHBondContact OE2-NE 2.72Å; E46-R54 IonicContact OE2-NH2 2.66Å; E46-R54 PolarHBondContact OE2-NH2 3Å; E46-L468 HydrophobicContact CB-CD1 4.32Å |
| 47 | W | 94.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.1 | 178.9 | -63.9 | 86.7 | 0 | 0 | 0 | 110.1 | Y19 A28 H29 G30 G32 A34 Y43 F51 E52 L215 | Y19-W47 HydrophobicContact CD2-CZ2 4.36Å; Y19-W47 HydrophobicContact CE2-CD2 4.16Å; Y19-W47 AromaticContact CE2-CE2 3.77Å; Y19-W47 HydrophobicContact CE2-CG 4.3Å; Y19-W47 HydrophobicContact CE2-CZ2 4.2Å; Y19-W47 AromaticContact CE2-NE1 3.69Å; A28-W47 HydrophobicContact CB-CB 4.22Å; A28-W47 HydrophobicContact CB-CD2 4.13Å; A28-W47 HydrophobicContact CB-CE3 4.09Å; A28-W47 HydrophobicContact CB-CG 4.2Å; H29-W47 CarbonylContact C-O 3.59Å; H29-W47 WeakPolarHBondContact CA-O 3.35Å; G30-W47 PolarHBondContact N-O 2.8Å; G30-W47 PolarHBondContact O-N 2.75Å; G32-W47 PolarHBondContact O-NE1 2.78Å; G32-W47 VanDerWaalsContact O-NE1 3.08Å; A34-W47 HydrophobicContact CB-CH2 3.7Å; A34-W47 HydrophobicContact CB-CZ2 3.44Å; A34-W47 VanDerWaalsContact CB-CZ2 3.44Å; Y43-W47 AromaticContact CD1-CE2 3.49Å; Y43-W47 VanDerWaalsContact CD1-CE2 3.49Å; Y43-W47 AromaticContact CD1-CH2 3.94Å; Y43-W47 HydrophobicContact CD1-CH2 3.94Å; Y43-W47 AromaticContact CD1-CZ2 3.18Å; Y43-W47 HydrophobicContact CD1-CZ2 3.18Å; Y43-W47 AromaticContact CD1-NE1 3.69Å; Y43-W47 HydrophobicContact CE1-CD2 4.25Å; Y43-W47 AromaticContact CE1-CE2 3.59Å; Y43-W47 HydrophobicContact CE1-CH2 4.45Å; Y43-W47 AromaticContact CE1-CZ2 3.75Å; Y43-W47 HydrophobicContact CE1-CZ2 3.75Å; Y43-W47 AromaticContact CE1-NE1 3.6Å; Y43-W47 HydrophobicContact CG-CH2 4.42Å; Y43-W47 AromaticContact CG-CZ2 3.99Å; Y43-W47 HydrophobicContact CG-CZ2 3.99Å; W47-F51 CarbonylContact C-O 3.44Å; W47-F51 WeakPolarHBondContact CA-O 3.41Å; W47-E52 HydrophobicContact CE3-CG 4.11Å; W47-E52 HydrophobicContact CH2-CG 3.65Å; W47-E52 HydrophobicContact CZ2-CG 4.27Å; W47-E52 HydrophobicContact CZ3-CG 3.55Å; W47-L215 HydrophobicContact CD2-CD1 4.5Å; W47-L215 HydrophobicContact CE3-CD1 3.91Å; W47-L215 HydrophobicContact CH2-CD1 3.22Å; W47-L215 HydrophobicContact CH2-CG 4.23Å; W47-L215 HydrophobicContact CZ2-CD1 3.87Å; W47-L215 HydrophobicContact CZ3-CB 4.5Å; W47-L215 HydrophobicContact CZ3-CD1 3.25Å; W47-L215 HydrophobicContact CZ3-CG 3.89Å |
| 48 | N | 93 | Very high | 92.4 | Very high | 90 Ų | 90 | 32.1 Ų | 32.1 | 48% | 0.481 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 105.3 | 175.2 | -172.3 | 15.4 | 0 | 0 | 0 | 110.4 | G50 F51 | N48-G50 PolarHBondContact O-N 2.81Å; N48-F51 PolarHBondContact N-O 3.48Å; N48-F51 PolarHBondContact O-N 2.85Å; N48-F51 VanDerWaalsContact O-N 3.1Å |
| 49 | M | 90.9 | Very high | 92.6 | Very high | 43 Ų | 43 | 27.6 Ų | 27.6 | 21% | 0.212 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 43.3 | 176.5 | -53.9 | -50.2 | -72.6 | 0 | 0 | 113 | C24 E25 R27 A28 | C24-M49 HydrophobicContact CB-SD 4.49Å; E25-M49 HydrophobicContact CB-CE 4.38Å; E25-M49 HydrophobicContact CG-CE 4.37Å; E25-M49 VanDerWaalsContact OE2-CE 3.24Å; E25-M49 WeakPolarHBondContact OE2-CE 3.23Å; R27-M49 VanDerWaalsContact CZ-CE 3.42Å; A28-M49 PolarHBondContact O-N 2.74Å |
| 50 | G | 90.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | -0.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | A28 N48 L215 | A28-G50 WeakPolarHBondContact O-CA 3.23Å; A28-G50 PolarHBondContact O-N 2.78Å; N48-G50 PolarHBondContact O-N 2.81Å; G50-L215 WeakPolarHBondContact CA-O 3.31Å; G50-L215 PolarHBondContact O-N 3.37Å |
| 51 | F | 91.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 25.4 Ų | 25.4 | 27% | 0.268 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143.9 | 177.9 | -65.6 | -69.9 | 0 | 0 | 0 | 112.2 | W47 N48 S53 F213 V214 | W47-F51 CarbonylContact C-O 3.44Å; W47-F51 WeakPolarHBondContact CA-O 3.41Å; N48-F51 PolarHBondContact N-O 3.48Å; N48-F51 PolarHBondContact O-N 2.85Å; N48-F51 VanDerWaalsContact O-N 3.1Å; F51-S53 PolarHBondContact O-N 2.94Å; F51-F213 VanDerWaalsContact CD1-O 3.32Å; F51-F213 WeakPolarHBondContact CD1-O 3.4Å; F51-F213 WeakPolarHBondContact CE1-O 3.37Å; F51-V214 HydrophobicContact CD1-CG2 4.5Å; F51-V214 HydrophobicContact CD2-CG2 4.37Å; F51-V214 HydrophobicContact CE1-CG2 3.7Å; F51-V214 HydrophobicContact CE2-CG2 3.55Å; F51-V214 HydrophobicContact CZ-CB 4.4Å; F51-V214 HydrophobicContact CZ-CG2 3.17Å |
| 52 | E | 91.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.8 | 170 | -57.8 | 93.6 | 149.6 | 0 | 0 | 110.6 | Y43 W47 W69 G72 R210 | Y43-E52 HydrophobicContact CD1-CG 3.98Å; Y43-E52 HydrophobicContact CD2-CB 4.34Å; Y43-E52 HydrophobicContact CD2-CG 3.73Å; Y43-E52 HydrophobicContact CE1-CB 4.17Å; Y43-E52 HydrophobicContact CE1-CG 3.8Å; Y43-E52 HydrophobicContact CE2-CB 3.67Å; Y43-E52 HydrophobicContact CE2-CG 3.56Å; Y43-E52 HydrophobicContact CG-CG 3.9Å; W47-E52 HydrophobicContact CE3-CG 4.11Å; W47-E52 HydrophobicContact CH2-CG 3.65Å; W47-E52 HydrophobicContact CZ2-CG 4.27Å; W47-E52 HydrophobicContact CZ3-CG 3.55Å; E52-W69 HydrophobicContact CB-CB 3.65Å; E52-W69 HydrophobicContact CB-CD2 4.32Å; E52-W69 HydrophobicContact CB-CG 3.9Å; E52-W69 CarbonylContact O-C 3.52Å; E52-W69 WeakPolarHBondContact O-CB 3.31Å; E52-G72 VanDerWaalsContact OE2-CA 3.3Å; E52-G72 WeakPolarHBondContact OE2-CA 3.21Å; E52-R210 IonicContact OE1-CZ 2.93Å; E52-R210 VanDerWaalsContact OE1-CZ 3.25Å; E52-R210 IonicContact OE1-NH1 3.15Å; E52-R210 PolarHBondContact OE1-NH1 3.08Å; E52-R210 IonicContact OE1-NH2 3.46Å; E52-R210 PolarHBondContact OE1-NH2 2.99Å |
| 53 | S | 93.2 | Very high | 92 | Very high | 24 Ų | 24 | 26.9 Ų | 26.9 | 17% | 0.168 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -53.8 | 173.3 | 59.7 | 0 | 0 | 0 | 0 | 112 | E46 F51 T68 W69 | E46-S53 WeakPolarHBondContact CB-OG 3.37Å; E46-S53 VanDerWaalsContact CD-OG 3.26Å; E46-S53 WeakPolarHBondContact CG-OG 3.4Å; E46-S53 PolarHBondContact O-N 3.41Å; E46-S53 PolarHBondContact O-OG 2.82Å; E46-S53 VanDerWaalsContact O-OG 3.05Å; E46-S53 PolarHBondContact OE2-OG 3.08Å; F51-S53 PolarHBondContact O-N 2.94Å; S53-T68 CarbonylContact O-C 3.38Å; S53-T68 WeakPolarHBondContact O-CA 3.23Å; S53-W69 PolarHBondContact O-N 3.42Å |
| 54 | R | 96.1 | Very high | 91.9 | Very high | 80 Ų | 80 | 26.9 Ų | 26.9 | 30% | 0.302 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 121.3 | -174.5 | -73.8 | -176.5 | -65.5 | 170.2 | -0.3 | 110.5 | Y43 E46 T68 L468 | Y43-R54 PolarHBondContact OH-N 3.36Å; Y43-R54 PolarHBondContact OH-O 3Å; E46-R54 HydrophobicContact CB-CB 4.38Å; E46-R54 WeakPolarHBondContact CB-O 3.44Å; E46-R54 VanDerWaalsContact CD-NH2 3.32Å; E46-R54 PolarHBondContact N-O 2.84Å; E46-R54 IonicContact OE1-CZ 3.76Å; E46-R54 IonicContact OE1-NH2 3.9Å; E46-R54 PolarHBondContact OE1-NH2 2.85Å; E46-R54 IonicContact OE2-CZ 3.66Å; E46-R54 IonicContact OE2-NE 2.72Å; E46-R54 PolarHBondContact OE2-NE 2.72Å; E46-R54 IonicContact OE2-NH2 2.66Å; E46-R54 PolarHBondContact OE2-NH2 3Å; R54-T68 HydrophobicContact CG-CG2 3.83Å; R54-L468 HydrophobicContact CB-CD1 3.79Å |
| 55 | G | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.6 | -171.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y43 S44 G67 W69 | Y43-G55 PolarHBondContact OH-N 3.02Å; S44-G55 WeakPolarHBondContact O-CA 3.47Å; G55-G67 PolarHBondContact N-O 2.93Å; G55-G67 VanDerWaalsContact N-O 3.09Å; G55-G67 PolarHBondContact O-N 2.79Å; G55-G67 VanDerWaalsContact O-N 3.16Å; G55-W69 PolarHBondContact O-NE1 3.09Å |
| 56 | V | 96.6 | Very high | 91.9 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.03 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.2 | -179.3 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | Y43 S44 I58 I64 Y65 R466 | Y43-V56 CarbonylContact C-O 3.43Å; Y43-V56 WeakPolarHBondContact CA-O 3.39Å; S44-V56 PolarHBondContact N-O 3.43Å; S44-V56 PolarHBondContact O-N 3.17Å; V56-I58 HydrophobicContact CG1-CD1 4.4Å; V56-I58 HydrophobicContact CG1-CG1 3.94Å; V56-I64 HydrophobicContact CG1-CG2 3.81Å; V56-Y65 CarbonylContact C-O 3.42Å; V56-Y65 VanDerWaalsContact CA-O 3.25Å; V56-Y65 WeakPolarHBondContact CA-O 3.35Å; V56-R466 HydrophobicContact CG2-CG 3.91Å |
| 57 | Y | 94.6 | Very high | 91.9 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 4% | 0.039 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.5 | 167.8 | -171.1 | -86.8 | 0 | 0 | 0 | 109.9 | E42 Y43 W59 I64 Y65 W69 | E42-Y57 CarbonylContact O-C 3.52Å; E42-Y57 VanDerWaalsContact O-CA 3.3Å; E42-Y57 WeakPolarHBondContact O-CA 3.3Å; Y43-Y57 HydrophobicContact CD2-CD2 4.33Å; Y57-W59 AromaticContact CD1-CD2 3.52Å; Y57-W59 HydrophobicContact CD1-CD2 3.52Å; Y57-W59 AromaticContact CD1-CE2 3.48Å; Y57-W59 VanDerWaalsContact CD1-CE2 3.48Å; Y57-W59 AromaticContact CD1-CE3 3.73Å; Y57-W59 HydrophobicContact CD1-CE3 3.73Å; Y57-W59 HydrophobicContact CD1-CG 4.1Å; Y57-W59 AromaticContact CD1-CH2 3.89Å; Y57-W59 HydrophobicContact CD1-CH2 3.89Å; Y57-W59 AromaticContact CD1-CZ2 3.67Å; Y57-W59 HydrophobicContact CD1-CZ2 3.67Å; Y57-W59 AromaticContact CD1-CZ3 3.92Å; Y57-W59 HydrophobicContact CD1-CZ3 3.92Å; Y57-W59 AromaticContact CD1-NE1 4Å; Y57-W59 AromaticContact CE1-CD1 3.58Å; Y57-W59 AromaticContact CE1-CD2 3.57Å; Y57-W59 HydrophobicContact CE1-CD2 3.57Å; Y57-W59 AromaticContact CE1-CE2 3.43Å; Y57-W59 VanDerWaalsContact CE1-CE2 3.43Å; Y57-W59 HydrophobicContact CE1-CE3 4.24Å; Y57-W59 AromaticContact CE1-CG 3.67Å; Y57-W59 HydrophobicContact CE1-CG 3.67Å; Y57-W59 HydrophobicContact CE1-CZ2 4.01Å; Y57-W59 AromaticContact CE1-NE1 3.43Å; Y57-I64 CarbonylContact O-C 3.58Å; Y57-I64 WeakPolarHBondContact O-CA 3.36Å; Y57-Y65 PolarHBondContact N-O 2.86Å; Y57-Y65 PolarHBondContact O-N 2.88Å; Y57-W69 HydrophobicContact CD2-CH2 4.37Å; Y57-W69 AromaticContact CG-CH2 3.98Å; Y57-W69 HydrophobicContact CG-CH2 3.98Å; Y57-W69 HydrophobicContact CG-CZ2 4.22Å |
| 58 | I | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 120.6 | 179.5 | -53.7 | 177 | 0 | 0 | 0 | 107.6 | G41 E42 V56 I64 G487 W490 E491 | G41-I58 CarbonylContact C-O 3.54Å; G41-I58 VanDerWaalsContact CA-O 3.23Å; G41-I58 WeakPolarHBondContact CA-O 3.41Å; E42-I58 PolarHBondContact N-O 2.75Å; E42-I58 PolarHBondContact O-N 3.28Å; V56-I58 HydrophobicContact CG1-CD1 4.4Å; V56-I58 HydrophobicContact CG1-CG1 3.94Å; I58-I64 HydrophobicContact CG1-CG1 4.41Å; I58-I64 HydrophobicContact CG1-CG2 4.43Å; I58-I64 HydrophobicContact CG2-CG1 4.4Å; I58-G487 WeakPolarHBondContact CD1-O 3.25Å; I58-W490 HydrophobicContact CG2-CB 3.94Å; I58-W490 HydrophobicContact CG2-CE3 4.04Å; I58-E491 HydrophobicContact CD1-CB 4.29Å |
| 59 | W | 89 | Confident | 92.1 | Very high | 56 Ų | 56 | 22.2 Ų | 22.2 | 21% | 0.212 | 12% | 0.115 | C | C | . | . | trans | -81.7 | 153.6 | 174.7 | -72 | -94 | 0 | 0 | 0 | 110.4 | Y57 S61 G62 N63 | Y57-W59 AromaticContact CD1-CD2 3.52Å; Y57-W59 HydrophobicContact CD1-CD2 3.52Å; Y57-W59 AromaticContact CD1-CE2 3.48Å; Y57-W59 VanDerWaalsContact CD1-CE2 3.48Å; Y57-W59 AromaticContact CD1-CE3 3.73Å; Y57-W59 HydrophobicContact CD1-CE3 3.73Å; Y57-W59 HydrophobicContact CD1-CG 4.1Å; Y57-W59 AromaticContact CD1-CH2 3.89Å; Y57-W59 HydrophobicContact CD1-CH2 3.89Å; Y57-W59 AromaticContact CD1-CZ2 3.67Å; Y57-W59 HydrophobicContact CD1-CZ2 3.67Å; Y57-W59 AromaticContact CD1-CZ3 3.92Å; Y57-W59 HydrophobicContact CD1-CZ3 3.92Å; Y57-W59 AromaticContact CD1-NE1 4Å; Y57-W59 AromaticContact CE1-CD1 3.58Å; Y57-W59 AromaticContact CE1-CD2 3.57Å; Y57-W59 HydrophobicContact CE1-CD2 3.57Å; Y57-W59 AromaticContact CE1-CE2 3.43Å; Y57-W59 VanDerWaalsContact CE1-CE2 3.43Å; Y57-W59 HydrophobicContact CE1-CE3 4.24Å; Y57-W59 AromaticContact CE1-CG 3.67Å; Y57-W59 HydrophobicContact CE1-CG 3.67Å; Y57-W59 HydrophobicContact CE1-CZ2 4.01Å; Y57-W59 AromaticContact CE1-NE1 3.43Å; W59-S61 PolarHBondContact O-N 2.87Å; W59-G62 PolarHBondContact O-N 2.86Å; W59-N63 HydrophobicContact CB-CB 4.18Å; W59-N63 HydrophobicContact CD2-CB 4.19Å; W59-N63 HydrophobicContact CE3-CB 3.69Å; W59-N63 HydrophobicContact CG-CB 4.42Å; W59-N63 HydrophobicContact CZ3-CB 4.45Å; W59-N63 PolarHBondContact N-O 3.22Å | ||
| 60 | P | 84.8 | Confident | 92 | Very high | 45 Ų | 45 | 24.4 Ų | 24.4 | 29% | 0.292 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -23.2 | 173.2 | -25.2 | 34.4 | 0 | 0 | 0 | 113.9 | Q40 G62 W490 | Q40-P60 HydrophobicContact CB-CG 4.15Å; P60-G62 PolarHBondContact O-N 3.03Å; P60-W490 HydrophobicContact CB-CZ2 4.31Å; P60-W490 HydrophobicContact CG-CH2 4.35Å; P60-W490 HydrophobicContact CG-CZ2 4.32Å |
| 61 | S | 81 | Confident | 91.9 | Very high | 61 Ų | 61 | 30.9 Ų | 30.9 | 43% | 0.427 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -3.9 | 175.2 | 70.1 | 0 | 0 | 0 | 0 | 114.3 | W59 N63 | W59-S61 PolarHBondContact O-N 2.87Å; S61-N63 VanDerWaalsContact C-N 3.3Å; S61-N63 VanDerWaalsContact OG-CG 3.25Å; S61-N63 PolarHBondContact OG-N 2.84Å; S61-N63 PolarHBondContact OG-ND2 3.45Å |
| 62 | G | 84.4 | Confident | 91.7 | Very high | 5 Ų | 5 | 28 Ų | 28 | 5% | 0.052 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 77.6 | 10 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | W59 P60 N494 | W59-G62 PolarHBondContact O-N 2.86Å; P60-G62 PolarHBondContact O-N 3.03Å; G62-N494 PolarHBondContact O-ND2 3.4Å |
| 63 | N | 88.9 | Confident | 91.6 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 13% | 0.134 | 15% | 0.154 | C | C | . | . | trans | -72 | 152.6 | 168.6 | -65.3 | -27.7 | 0 | 0 | 0 | 108.6 | W59 S61 I81 K82 G83 | W59-N63 HydrophobicContact CB-CB 4.18Å; W59-N63 HydrophobicContact CD2-CB 4.19Å; W59-N63 HydrophobicContact CE3-CB 3.69Å; W59-N63 HydrophobicContact CG-CB 4.42Å; W59-N63 HydrophobicContact CZ3-CB 4.45Å; W59-N63 PolarHBondContact N-O 3.22Å; S61-N63 VanDerWaalsContact C-N 3.3Å; S61-N63 VanDerWaalsContact OG-CG 3.25Å; S61-N63 PolarHBondContact OG-N 2.84Å; S61-N63 PolarHBondContact OG-ND2 3.45Å; N63-I81 WeakPolarHBondContact CA-O 3.3Å; N63-I81 WeakPolarHBondContact CB-O 3.45Å; N63-K82 WeakPolarHBondContact OD1-CA 3.43Å; N63-G83 PolarHBondContact OD1-N 3.3Å | ||
| 64 | I | 92.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142 | -175.5 | -54.1 | 176.1 | 0 | 0 | 0 | 109.3 | V56 Y57 I58 Q80 I81 E491 M497 | V56-I64 HydrophobicContact CG1-CG2 3.81Å; Y57-I64 CarbonylContact O-C 3.58Å; Y57-I64 WeakPolarHBondContact O-CA 3.36Å; I58-I64 HydrophobicContact CG1-CG1 4.41Å; I58-I64 HydrophobicContact CG1-CG2 4.43Å; I58-I64 HydrophobicContact CG2-CG1 4.4Å; I64-Q80 CarbonylContact O-C 3.53Å; I64-Q80 WeakPolarHBondContact O-CA 3.23Å; I64-I81 HydrophobicContact CB-CB 4.32Å; I64-I81 HydrophobicContact CB-CD1 4.28Å; I64-I81 HydrophobicContact CD1-CD1 4.38Å; I64-I81 PolarHBondContact N-O 2.98Å; I64-I81 PolarHBondContact O-N 3.09Å; I64-E491 HydrophobicContact CD1-CB 4.34Å; I64-E491 HydrophobicContact CD1-CG 3.86Å; I64-M497 HydrophobicContact CD1-CE 3.69Å; I64-M497 HydrophobicContact CD1-CG 4.48Å; I64-M497 HydrophobicContact CD1-SD 4.13Å |
| 65 | Y | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.4 | 165.8 | 173.5 | -91 | 0 | 0 | 0 | 108.6 | V56 Y57 T68 W69 R74 H75 V79 Q80 F91 | V56-Y65 CarbonylContact C-O 3.42Å; V56-Y65 VanDerWaalsContact CA-O 3.25Å; V56-Y65 WeakPolarHBondContact CA-O 3.35Å; Y57-Y65 PolarHBondContact N-O 2.86Å; Y57-Y65 PolarHBondContact O-N 2.88Å; Y65-T68 WeakPolarHBondContact CE1-O 3.04Å; Y65-T68 PolarHBondContact OH-O 3.13Å; Y65-W69 AromaticContact CD1-CE2 3.48Å; Y65-W69 VanDerWaalsContact CD1-CE2 3.48Å; Y65-W69 HydrophobicContact CD1-CH2 4.1Å; Y65-W69 AromaticContact CD1-CZ2 3.23Å; Y65-W69 HydrophobicContact CD1-CZ2 3.23Å; Y65-W69 AromaticContact CD1-NE1 3.59Å; Y65-W69 HydrophobicContact CE1-CD2 4.21Å; Y65-W69 AromaticContact CE1-CE2 3.51Å; Y65-W69 AromaticContact CE1-CZ2 3.75Å; Y65-W69 HydrophobicContact CE1-CZ2 3.75Å; Y65-W69 AromaticContact CE1-NE1 3.41Å; Y65-W69 HydrophobicContact CG-CZ2 4.14Å; Y65-R74 HydrophobicContact CD1-CG 3.89Å; Y65-R74 HydrophobicContact CD2-CB 4.4Å; Y65-R74 VanDerWaalsContact CD2-CD 3.46Å; Y65-R74 HydrophobicContact CD2-CG 3.8Å; Y65-R74 HydrophobicContact CE1-CB 4.2Å; Y65-R74 HydrophobicContact CE1-CG 3.81Å; Y65-R74 HydrophobicContact CE2-CB 3.86Å; Y65-R74 HydrophobicContact CE2-CG 3.74Å; Y65-R74 HydrophobicContact CG-CG 3.84Å; Y65-H75 PolarHBondContact OH-O 2.86Å; Y65-H75 VanDerWaalsContact OH-O 3.12Å; Y65-V79 CarbonylContact C-O 3.59Å; Y65-V79 WeakPolarHBondContact CA-O 3.28Å; Y65-Q80 HydrophobicContact CD2-CB 4.16Å; Y65-F91 HydrophobicContact CD2-CE1 4.44Å; Y65-F91 HydrophobicContact CD2-CE2 4.31Å; Y65-F91 HydrophobicContact CD2-CZ 4.06Å; Y65-F91 HydrophobicContact CE2-CD1 4.24Å; Y65-F91 AromaticContact CE2-CD2 3.73Å; Y65-F91 HydrophobicContact CE2-CD2 3.73Å; Y65-F91 HydrophobicContact CE2-CE1 4.04Å; Y65-F91 AromaticContact CE2-CE2 3.53Å; Y65-F91 HydrophobicContact CE2-CE2 3.53Å; Y65-F91 HydrophobicContact CE2-CG 4.08Å; Y65-F91 AromaticContact CE2-CZ 3.65Å; Y65-F91 HydrophobicContact CE2-CZ 3.65Å |
| 66 | S | 96.8 | Very high | 91.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 116.4 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 108.2 | G78 V79 | S66-G78 CarbonylContact O-C 3.53Å; S66-G78 VanDerWaalsContact O-CA 3.24Å; S66-G78 WeakPolarHBondContact O-CA 3.41Å; S66-V79 PolarHBondContact N-O 2.93Å; S66-V79 PolarHBondContact O-N 3.47Å |
| 67 | G | 97.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | -155.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | G55 W69 | G55-G67 PolarHBondContact N-O 2.93Å; G55-G67 VanDerWaalsContact N-O 3.09Å; G55-G67 PolarHBondContact O-N 2.79Å; G55-G67 VanDerWaalsContact O-N 3.16Å; G67-W69 VanDerWaalsContact O-CD1 3.29Å |
| 68 | T | 96.1 | Very high | 91.5 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 155.7 | -179.7 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | S53 R54 Y65 H75 G76 E77 | S53-T68 CarbonylContact O-C 3.38Å; S53-T68 WeakPolarHBondContact O-CA 3.23Å; R54-T68 HydrophobicContact CG-CG2 3.83Å; Y65-T68 WeakPolarHBondContact CE1-O 3.04Å; Y65-T68 PolarHBondContact OH-O 3.13Å; T68-H75 CarbonylContact C-O 3.5Å; T68-H75 PolarHBondContact O-N 2.89Å; T68-H75 VanDerWaalsContact O-N 3.14Å; T68-H75 PolarHBondContact OG1-O 2.85Å; T68-G76 VanDerWaalsContact OG1-CA 3.26Å; T68-G76 WeakPolarHBondContact OG1-CA 3.25Å; T68-E77 PolarHBondContact N-O 3.03Å; T68-E77 PolarHBondContact OG1-N 3.25Å |
| 69 | W | 94.2 | Very high | 91.7 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 6% | 0.057 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148 | -175.4 | -66.4 | 82 | 0 | 0 | 0 | 109.3 | Y43 E52 S53 G55 Y57 Y65 G67 K73 R74 | Y43-W69 HydrophobicContact CD2-CZ2 4.33Å; Y43-W69 AromaticContact CE2-CD1 3.77Å; Y43-W69 HydrophobicContact CE2-CD2 4.15Å; Y43-W69 AromaticContact CE2-CE2 3.79Å; Y43-W69 HydrophobicContact CE2-CG 4.14Å; Y43-W69 HydrophobicContact CE2-CZ2 4.36Å; Y43-W69 AromaticContact CE2-NE1 3.55Å; E52-W69 HydrophobicContact CB-CB 3.65Å; E52-W69 HydrophobicContact CB-CD2 4.32Å; E52-W69 HydrophobicContact CB-CG 3.9Å; E52-W69 CarbonylContact O-C 3.52Å; E52-W69 WeakPolarHBondContact O-CB 3.31Å; S53-W69 PolarHBondContact O-N 3.42Å; G55-W69 PolarHBondContact O-NE1 3.09Å; Y57-W69 HydrophobicContact CD2-CH2 4.37Å; Y57-W69 AromaticContact CG-CH2 3.98Å; Y57-W69 HydrophobicContact CG-CH2 3.98Å; Y57-W69 HydrophobicContact CG-CZ2 4.22Å; Y65-W69 AromaticContact CD1-CE2 3.48Å; Y65-W69 VanDerWaalsContact CD1-CE2 3.48Å; Y65-W69 HydrophobicContact CD1-CH2 4.1Å; Y65-W69 AromaticContact CD1-CZ2 3.23Å; Y65-W69 HydrophobicContact CD1-CZ2 3.23Å; Y65-W69 AromaticContact CD1-NE1 3.59Å; Y65-W69 HydrophobicContact CE1-CD2 4.21Å; Y65-W69 AromaticContact CE1-CE2 3.51Å; Y65-W69 AromaticContact CE1-CZ2 3.75Å; Y65-W69 HydrophobicContact CE1-CZ2 3.75Å; Y65-W69 AromaticContact CE1-NE1 3.41Å; Y65-W69 HydrophobicContact CG-CZ2 4.14Å; G67-W69 VanDerWaalsContact O-CD1 3.29Å; W69-K73 WeakPolarHBondContact CA-O 3.34Å; W69-R74 HydrophobicContact CE3-CG 4.4Å; W69-R74 HydrophobicContact CH2-CG 3.89Å; W69-R74 HydrophobicContact CZ2-CG 4.31Å; W69-R74 HydrophobicContact CZ3-CG 3.93Å |
| 70 | L | 89.8 | Confident | 91.9 | Very high | 89 Ų | 89 | 30.5 Ų | 30.5 | 47% | 0.466 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 119.5 | 173.8 | -177.5 | 65.2 | 0 | 0 | 0 | 108.9 | G72 K73 H75 | L70-G72 VanDerWaalsContact C-N 3.34Å; L70-G72 PolarHBondContact O-N 3.23Å; L70-K73 PolarHBondContact N-O 2.9Å; L70-K73 PolarHBondContact O-N 2.84Å; L70-K73 VanDerWaalsContact O-N 3.1Å; L70-H75 HydrophobicContact CB-CB 3.6Å; L70-H75 VanDerWaalsContact CD2-CD2 3.46Å; L70-H75 WeakPolarHBondContact CD2-CD2 2.91Å |
| 71 | K | 87.6 | Confident | 92.2 | Very high | 137 Ų | 137 | 28.4 Ų | 28.4 | 60% | 0.596 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 53.9 | 178.7 | -58.4 | 178.8 | -179.9 | -177.6 | 0 | 111.2 | K73 G212 | K71-K73 PolarHBondContact O-N 3.01Å; K71-G212 WeakPolarHBondContact O-CA 3.47Å; K71-G212 PolarHBondContact O-N 3.16Å |
| 72 | G | 86.1 | Confident | 92.4 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | -2.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | E52 L70 R210 | E52-G72 VanDerWaalsContact OE2-CA 3.3Å; E52-G72 WeakPolarHBondContact OE2-CA 3.21Å; L70-G72 VanDerWaalsContact C-N 3.34Å; L70-G72 PolarHBondContact O-N 3.23Å; G72-R210 PolarHBondContact O-NH1 2.79Å |
| 73 | K | 90.1 | Very high | 92.3 | Very high | 60 Ų | 60 | 27.8 Ų | 27.8 | 26% | 0.261 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.3 | 179.3 | -63 | -172.3 | 178.5 | -169.3 | 0 | 111 | W69 L70 K71 H75 R210 | W69-K73 WeakPolarHBondContact CA-O 3.34Å; L70-K73 PolarHBondContact N-O 2.9Å; L70-K73 PolarHBondContact O-N 2.84Å; L70-K73 VanDerWaalsContact O-N 3.1Å; K71-K73 PolarHBondContact O-N 3.01Å; K73-H75 PolarHBondContact O-N 3.34Å; K73-R210 WeakPolarHBondContact CE-O 3.46Å; K73-R210 WeakPolarHBondContact CG-O 3.27Å |
| 74 | R | 92.4 | Very high | 91.9 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 6% | 0.064 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 128.9 | 171.7 | -63.7 | 169.7 | -78.3 | 156.6 | -3.5 | 109.2 | Y65 W69 F91 G94 | Y65-R74 HydrophobicContact CD1-CG 3.89Å; Y65-R74 HydrophobicContact CD2-CB 4.4Å; Y65-R74 VanDerWaalsContact CD2-CD 3.46Å; Y65-R74 HydrophobicContact CD2-CG 3.8Å; Y65-R74 HydrophobicContact CE1-CB 4.2Å; Y65-R74 HydrophobicContact CE1-CG 3.81Å; Y65-R74 HydrophobicContact CE2-CB 3.86Å; Y65-R74 HydrophobicContact CE2-CG 3.74Å; Y65-R74 HydrophobicContact CG-CG 3.84Å; W69-R74 HydrophobicContact CE3-CG 4.4Å; W69-R74 HydrophobicContact CH2-CG 3.89Å; W69-R74 HydrophobicContact CZ2-CG 4.31Å; W69-R74 HydrophobicContact CZ3-CG 3.93Å; R74-F91 HydrophobicContact CB-CB 4.34Å; R74-F91 HydrophobicContact CB-CD1 4.06Å; R74-F91 HydrophobicContact CB-CG 4.29Å; R74-G94 PolarHBondContact NH2-O 3.34Å; R74-G94 WeakPolarHBondContact O-CA 3.42Å; R74-G94 PolarHBondContact O-N 2.87Å |
| 75 | H | 93.4 | Very high | 91.6 | Very high | 63 Ų | 63 | 34.6 Ų | 34.6 | 29% | 0.292 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 175.5 | -177.3 | -166.3 | 44.6 | 0 | 0 | 0 | 110.7 | Y65 T68 L70 K73 E77 F91 | Y65-H75 PolarHBondContact OH-O 2.86Å; Y65-H75 VanDerWaalsContact OH-O 3.12Å; T68-H75 CarbonylContact C-O 3.5Å; T68-H75 PolarHBondContact O-N 2.89Å; T68-H75 VanDerWaalsContact O-N 3.14Å; T68-H75 PolarHBondContact OG1-O 2.85Å; L70-H75 HydrophobicContact CB-CB 3.6Å; L70-H75 VanDerWaalsContact CD2-CD2 3.46Å; L70-H75 WeakPolarHBondContact CD2-CD2 2.91Å; K73-H75 PolarHBondContact O-N 3.34Å; H75-E77 PolarHBondContact O-N 3.42Å; H75-F91 CarbonylContact C-O 3.44Å; H75-F91 WeakPolarHBondContact CA-O 3.33Å; H75-F91 PolarHBondContact ND1-O 2.83Å |
| 76 | G | 95.2 | Very high | 91.5 | Very high | 25 Ų | 25 | 34.7 Ų | 34.7 | 26% | 0.258 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.2 | -124.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T68 S90 F91 | T68-G76 VanDerWaalsContact OG1-CA 3.26Å; T68-G76 WeakPolarHBondContact OG1-CA 3.25Å; G76-S90 CarbonylContact O-C 3.36Å; G76-S90 WeakPolarHBondContact O-CA 3.36Å; G76-F91 PolarHBondContact N-O 2.82Å; G76-F91 PolarHBondContact O-N 3.47Å |
| 77 | E | 97 | Very high | 91.4 | Very high | 53 Ų | 53 | 35 Ų | 35 | 25% | 0.248 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.1 | -176.9 | -62.3 | 177.1 | 151.1 | 0 | 0 | 109.6 | T68 H75 G89 T457 A458 R461 | T68-E77 PolarHBondContact N-O 3.03Å; T68-E77 PolarHBondContact OG1-N 3.25Å; H75-E77 PolarHBondContact O-N 3.42Å; E77-G89 WeakPolarHBondContact CA-O 3.32Å; E77-T457 WeakPolarHBondContact OE1-CB 3.24Å; E77-T457 PolarHBondContact OE1-OG1 2.71Å; E77-T457 VanDerWaalsContact OE2-CB 3.23Å; E77-T457 WeakPolarHBondContact OE2-CB 3.3Å; E77-T457 PolarHBondContact OE2-OG1 3.48Å; E77-A458 HydrophobicContact CB-CB 4.19Å; E77-R461 HydrophobicContact CB-CG 4.18Å |
| 78 | G | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S66 G89 F91 A458 | S66-G78 CarbonylContact O-C 3.53Å; S66-G78 VanDerWaalsContact O-CA 3.24Å; S66-G78 WeakPolarHBondContact O-CA 3.41Å; G78-G89 PolarHBondContact N-O 3.39Å; G78-G89 PolarHBondContact O-N 2.92Å; G78-G89 VanDerWaalsContact O-N 3.08Å; G78-F91 WeakPolarHBondContact O-CE2 3.43Å; G78-A458 WeakPolarHBondContact O-CB 3.41Å |
| 79 | V | 97 | Very high | 91.4 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.4 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | Y65 S66 V86 Y87 R88 D459 A462 F502 | Y65-V79 CarbonylContact C-O 3.59Å; Y65-V79 WeakPolarHBondContact CA-O 3.28Å; S66-V79 PolarHBondContact N-O 2.93Å; S66-V79 PolarHBondContact O-N 3.47Å; V79-V86 HydrophobicContact CG1-CG2 3.52Å; V79-Y87 CarbonylContact C-O 3.49Å; V79-Y87 VanDerWaalsContact CA-O 3.3Å; V79-Y87 WeakPolarHBondContact CA-O 3.23Å; V79-R88 HydrophobicContact CG1-CG 4.05Å; V79-R88 HydrophobicContact CG2-CB 4.34Å; V79-R88 HydrophobicContact CG2-CG 4.03Å; V79-D459 WeakPolarHBondContact CG2-OD1 3.42Å; V79-A462 HydrophobicContact CB-CB 3.87Å; V79-A462 HydrophobicContact CG2-CB 3.54Å; V79-F502 HydrophobicContact CG1-CE1 3.94Å; V79-F502 HydrophobicContact CG1-CZ 4.28Å |
| 80 | Q | 94.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 35.3 Ų | 35.3 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.1 | 174.7 | -179.4 | 169.7 | 37.6 | 0 | 0 | 110.7 | I64 Y65 K82 V86 Y87 F91 | I64-Q80 CarbonylContact O-C 3.53Å; I64-Q80 WeakPolarHBondContact O-CA 3.23Å; Y65-Q80 HydrophobicContact CD2-CB 4.16Å; Q80-K82 HydrophobicContact CG-CB 4.48Å; Q80-V86 CarbonylContact O-C 3.27Å; Q80-V86 VanDerWaalsContact O-CA 3.29Å; Q80-V86 WeakPolarHBondContact O-CA 3.43Å; Q80-Y87 PolarHBondContact N-O 3.27Å; Q80-Y87 PolarHBondContact O-N 2.98Å; Q80-F91 HydrophobicContact CB-CZ 3.87Å |
| 81 | I | 91.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 120 | 168.1 | -57.9 | 166 | 0 | 0 | 0 | 107.9 | N63 I64 V86 L105 M497 F502 | N63-I81 WeakPolarHBondContact CA-O 3.3Å; N63-I81 WeakPolarHBondContact CB-O 3.45Å; I64-I81 HydrophobicContact CB-CB 4.32Å; I64-I81 HydrophobicContact CB-CD1 4.28Å; I64-I81 HydrophobicContact CD1-CD1 4.38Å; I64-I81 PolarHBondContact N-O 2.98Å; I64-I81 PolarHBondContact O-N 3.09Å; I81-V86 HydrophobicContact CG1-CG2 4.13Å; I81-L105 HydrophobicContact CG2-CD1 3.93Å; I81-M497 HydrophobicContact CD1-CE 3.78Å; I81-M497 HydrophobicContact CD1-SD 3.27Å; I81-M497 WeakPolarHBondContact CD1-SD 3.32Å; I81-M497 HydrophobicContact CG2-SD 4.41Å; I81-F502 HydrophobicContact CD1-CE2 3.37Å; I81-F502 HydrophobicContact CD1-CZ 3.3Å; I81-F502 HydrophobicContact CG1-CE2 4.46Å; I81-F502 HydrophobicContact CG1-CZ 3.95Å |
| 82 | K | 84.9 | Confident | 91.8 | Very high | 28 Ų | 28 | 28 Ų | 28 | 12% | 0.122 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 102.2 | 179.1 | -167.2 | 172.6 | -176.7 | 179.2 | 0 | 110 | N63 Q80 R84 W85 T177 | N63-K82 WeakPolarHBondContact OD1-CA 3.43Å; Q80-K82 HydrophobicContact CG-CB 4.48Å; K82-R84 PolarHBondContact O-N 3Å; K82-W85 PolarHBondContact N-O 3.06Å; K82-W85 PolarHBondContact O-N 2.95Å; K82-W85 VanDerWaalsContact O-N 3.17Å; K82-T177 VanDerWaalsContact CD-O 3.29Å; K82-T177 WeakPolarHBondContact CD-O 3.4Å; K82-T177 WeakPolarHBondContact CE-O 3.36Å; K82-T177 PolarHBondContact NZ-O 3.49Å |
| 83 | G | 82.4 | Confident | 91.9 | Very high | 25 Ų | 25 | 32 Ų | 32 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -107.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | N63 L496 | N63-G83 PolarHBondContact OD1-N 3.3Å; G83-L496 WeakPolarHBondContact O-CD1 3.4Å |
| 84 | R | 80.7 | Confident | 91.7 | Very high | 138 Ų | 138 | 29.7 Ų | 29.7 | 52% | 0.521 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 4.7 | -176 | -61.6 | -173.5 | -179.6 | -176.6 | -0.7 | 114.5 | K82 L105 T106 L496 | K82-R84 PolarHBondContact O-N 3Å; R84-L105 PolarHBondContact O-N 3.19Å; R84-T106 HydrophobicContact CB-CG2 4.38Å; R84-T106 HydrophobicContact CG-CG2 4.3Å; R84-L496 HydrophobicContact CB-CD1 4.39Å; R84-L496 HydrophobicContact CG-CD1 3.89Å |
| 85 | W | 85.9 | Confident | 91.5 | Very high | 31 Ų | 31 | 31.5 Ų | 31.5 | 12% | 0.117 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 145.7 | -176.3 | -43.1 | 100.8 | 0 | 0 | 0 | 110.3 | K82 K102 E103 S104 A109 L173 P174 | K82-W85 PolarHBondContact N-O 3.06Å; K82-W85 PolarHBondContact O-N 2.95Å; K82-W85 VanDerWaalsContact O-N 3.17Å; W85-K102 HydrophobicContact CB-CG 4.44Å; W85-E103 CarbonylContact C-O 3.44Å; W85-E103 VanDerWaalsContact CA-O 3.25Å; W85-E103 WeakPolarHBondContact CA-O 3.48Å; W85-S104 WeakPolarHBondContact CZ3-OG 3.2Å; W85-A109 HydrophobicContact CZ3-CB 4.41Å; W85-L173 HydrophobicContact CD2-CD2 4.17Å; W85-L173 HydrophobicContact CE3-CD2 3.19Å; W85-L173 HydrophobicContact CH2-CD2 3.57Å; W85-L173 HydrophobicContact CZ2-CD2 4.43Å; W85-L173 HydrophobicContact CZ3-CD2 2.87Å; W85-L173 HydrophobicContact CZ3-CG 4.35Å; W85-P174 HydrophobicContact CZ2-CG 4.36Å |
| 86 | V | 92.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.4 | 168.3 | 62.6 | 0 | 0 | 0 | 0 | 108.9 | V79 Q80 I81 R88 K102 E103 L105 | V79-V86 HydrophobicContact CG1-CG2 3.52Å; Q80-V86 CarbonylContact O-C 3.27Å; Q80-V86 VanDerWaalsContact O-CA 3.29Å; Q80-V86 WeakPolarHBondContact O-CA 3.43Å; I81-V86 HydrophobicContact CG1-CG2 4.13Å; V86-R88 HydrophobicContact CG2-CG 4.23Å; V86-K102 CarbonylContact O-C 3.56Å; V86-K102 WeakPolarHBondContact O-CA 3.41Å; V86-E103 HydrophobicContact CG1-CB 3.76Å; V86-E103 PolarHBondContact N-O 3.05Å; V86-E103 PolarHBondContact O-N 3.47Å; V86-L105 HydrophobicContact CB-CD2 4.08Å; V86-L105 HydrophobicContact CB-CG 4.46Å; V86-L105 HydrophobicContact CG1-CD2 3.89Å; V86-L105 HydrophobicContact CG1-CG 4.5Å |
| 87 | Y | 95.2 | Very high | 91.1 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.3 | 171.5 | 173.5 | -93.1 | 0 | 0 | 0 | 108.9 | V79 Q80 S90 F91 C96 Y99 I101 K102 W115 | V79-Y87 CarbonylContact C-O 3.49Å; V79-Y87 VanDerWaalsContact CA-O 3.3Å; V79-Y87 WeakPolarHBondContact CA-O 3.23Å; Q80-Y87 PolarHBondContact N-O 3.27Å; Q80-Y87 PolarHBondContact O-N 2.98Å; Y87-S90 PolarHBondContact OH-O 3.39Å; Y87-S90 VanDerWaalsContact OH-O 3.05Å; Y87-F91 HydrophobicContact CD1-CE1 4.12Å; Y87-F91 AromaticContact CD1-CE2 3.71Å; Y87-F91 HydrophobicContact CD1-CE2 3.71Å; Y87-F91 AromaticContact CD1-CZ 3.34Å; Y87-F91 HydrophobicContact CD1-CZ 3.34Å; Y87-F91 HydrophobicContact CE1-CD2 4.28Å; Y87-F91 HydrophobicContact CE1-CE1 4.11Å; Y87-F91 AromaticContact CE1-CE2 3.59Å; Y87-F91 HydrophobicContact CE1-CE2 3.59Å; Y87-F91 AromaticContact CE1-CZ 3.53Å; Y87-F91 HydrophobicContact CE1-CZ 3.53Å; Y87-C96 HydrophobicContact CE1-CB 4.21Å; Y87-C96 HydrophobicContact CE2-CB 4.16Å; Y87-Y99 PolarHBondContact OH-O 3.45Å; Y87-I101 CarbonylContact C-O 3.58Å; Y87-I101 VanDerWaalsContact CA-O 3.24Å; Y87-I101 WeakPolarHBondContact CA-O 3.44Å; Y87-I101 WeakPolarHBondContact CD2-O 3.49Å; Y87-K102 HydrophobicContact CD2-CB 4.31Å; Y87-W115 HydrophobicContact CD2-CH2 4.08Å; Y87-W115 AromaticContact CD2-CZ2 3.71Å; Y87-W115 HydrophobicContact CD2-CZ2 3.71Å; Y87-W115 HydrophobicContact CE2-CD2 4Å; Y87-W115 AromaticContact CE2-CE2 3.49Å; Y87-W115 VanDerWaalsContact CE2-CE2 3.49Å; Y87-W115 HydrophobicContact CE2-CG 4.44Å; Y87-W115 HydrophobicContact CE2-CH2 4.2Å; Y87-W115 AromaticContact CE2-CZ2 3.61Å; Y87-W115 HydrophobicContact CE2-CZ2 3.61Å; Y87-W115 AromaticContact CE2-NE1 3.68Å |
| 88 | R | 97.2 | Very high | 90.9 | Very high | 30 Ų | 30 | 33.3 Ų | 33.3 | 11% | 0.113 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 114.3 | 177.9 | -54.9 | 175.3 | -172.7 | -89.3 | 5.5 | 107.6 | V79 V86 G100 I101 E103 A455 D459 V501 | V79-R88 HydrophobicContact CG1-CG 4.05Å; V79-R88 HydrophobicContact CG2-CB 4.34Å; V79-R88 HydrophobicContact CG2-CG 4.03Å; V86-R88 HydrophobicContact CG2-CG 4.23Å; R88-G100 CarbonylContact O-C 3.51Å; R88-G100 VanDerWaalsContact O-CA 3.31Å; R88-G100 WeakPolarHBondContact O-CA 3.26Å; R88-I101 PolarHBondContact N-O 2.9Å; R88-I101 PolarHBondContact O-N 2.95Å; R88-E103 IonicContact NE-OE2 3.63Å; R88-A455 HydrophobicContact CB-CB 3.82Å; R88-D459 WeakPolarHBondContact CD-OD1 3.28Å; R88-D459 IonicContact CZ-OD1 2.73Å; R88-D459 IonicContact NE-OD1 2.8Å; R88-D459 VanDerWaalsContact NH1-CG 3.35Å; R88-D459 IonicContact NH1-OD1 2.95Å; R88-D459 PolarHBondContact NH1-OD1 2.98Å; R88-D459 IonicContact NH1-OD2 3.6Å; R88-D459 PolarHBondContact NH1-OD2 3.32Å; R88-V501 PolarHBondContact NH2-O 3.09Å |
| 89 | G | 96.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.9 | -152.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E77 G78 | E77-G89 WeakPolarHBondContact CA-O 3.32Å; G78-G89 PolarHBondContact N-O 3.39Å; G78-G89 PolarHBondContact O-N 2.92Å; G78-G89 VanDerWaalsContact O-N 3.08Å |
| 90 | S | 95.6 | Very high | 90.9 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 15% | 0.147 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 154.7 | -176.5 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | G76 Y87 G97 R98 Y99 | G76-S90 CarbonylContact O-C 3.36Å; G76-S90 WeakPolarHBondContact O-CA 3.36Å; Y87-S90 PolarHBondContact OH-O 3.39Å; Y87-S90 VanDerWaalsContact OH-O 3.05Å; S90-G97 WeakPolarHBondContact O-CA 3.12Å; S90-G97 PolarHBondContact O-N 2.93Å; S90-G97 WeakPolarHBondContact OG-CA 3.3Å; S90-R98 PolarHBondContact OG-N 2.93Å; S90-R98 VanDerWaalsContact OG-N 3.13Å; S90-Y99 PolarHBondContact N-O 3.36Å; S90-Y99 PolarHBondContact OG-N 2.87Å; S90-Y99 PolarHBondContact OG-O 3.3Å |
| 91 | F | 94 | Very high | 91 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 135.2 | 175.5 | -71.6 | -92.5 | 0 | 0 | 0 | 110.3 | Y65 R74 H75 G76 G78 Q80 Y87 F95 | Y65-F91 HydrophobicContact CD2-CE1 4.44Å; Y65-F91 HydrophobicContact CD2-CE2 4.31Å; Y65-F91 HydrophobicContact CD2-CZ 4.06Å; Y65-F91 HydrophobicContact CE2-CD1 4.24Å; Y65-F91 AromaticContact CE2-CD2 3.73Å; Y65-F91 HydrophobicContact CE2-CD2 3.73Å; Y65-F91 HydrophobicContact CE2-CE1 4.04Å; Y65-F91 AromaticContact CE2-CE2 3.53Å; Y65-F91 HydrophobicContact CE2-CE2 3.53Å; Y65-F91 HydrophobicContact CE2-CG 4.08Å; Y65-F91 AromaticContact CE2-CZ 3.65Å; Y65-F91 HydrophobicContact CE2-CZ 3.65Å; R74-F91 HydrophobicContact CB-CB 4.34Å; R74-F91 HydrophobicContact CB-CD1 4.06Å; R74-F91 HydrophobicContact CB-CG 4.29Å; H75-F91 CarbonylContact C-O 3.44Å; H75-F91 WeakPolarHBondContact CA-O 3.33Å; H75-F91 PolarHBondContact ND1-O 2.83Å; G76-F91 PolarHBondContact N-O 2.82Å; G76-F91 PolarHBondContact O-N 3.47Å; G78-F91 WeakPolarHBondContact O-CE2 3.43Å; Q80-F91 HydrophobicContact CB-CZ 3.87Å; Y87-F91 HydrophobicContact CD1-CE1 4.12Å; Y87-F91 AromaticContact CD1-CE2 3.71Å; Y87-F91 HydrophobicContact CD1-CE2 3.71Å; Y87-F91 AromaticContact CD1-CZ 3.34Å; Y87-F91 HydrophobicContact CD1-CZ 3.34Å; Y87-F91 HydrophobicContact CE1-CD2 4.28Å; Y87-F91 HydrophobicContact CE1-CE1 4.11Å; Y87-F91 AromaticContact CE1-CE2 3.59Å; Y87-F91 HydrophobicContact CE1-CE2 3.59Å; Y87-F91 AromaticContact CE1-CZ 3.53Å; Y87-F91 HydrophobicContact CE1-CZ 3.53Å; F91-F95 CarbonylContact C-O 3.54Å; F91-F95 WeakPolarHBondContact CA-O 3.48Å |
| 92 | T | 90.4 | Very high | 91.1 | Very high | 71 Ų | 71 | 35.2 Ų | 35.2 | 44% | 0.436 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120.1 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 108.3 | G94 F95 | T92-G94 PolarHBondContact O-N 2.88Å; T92-F95 PolarHBondContact N-O 3.12Å; T92-F95 PolarHBondContact O-N 2.8Å |
| 93 | T | 87.4 | Confident | 91.4 | Very high | 83 Ų | 83 | 36.1 Ų | 36.1 | 51% | 0.509 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 35.4 | 176.6 | 57.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 94 | G | 85.5 | Confident | 91.6 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 12% | 0.124 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93 | -13.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R74 T92 | R74-G94 PolarHBondContact NH2-O 3.34Å; R74-G94 WeakPolarHBondContact O-CA 3.42Å; R74-G94 PolarHBondContact O-N 2.87Å; T92-G94 PolarHBondContact O-N 2.88Å |
| 95 | F | 88 | Confident | 91.8 | Very high | 55 Ų | 55 | 31 Ų | 31 | 24% | 0.241 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 154.1 | 176.9 | -58.9 | -81.9 | 0 | 0 | 0 | 110.9 | F91 T92 G97 N118 | F91-F95 CarbonylContact C-O 3.54Å; F91-F95 WeakPolarHBondContact CA-O 3.48Å; T92-F95 PolarHBondContact N-O 3.12Å; T92-F95 PolarHBondContact O-N 2.8Å; F95-G97 PolarHBondContact O-N 3.4Å; F95-N118 WeakPolarHBondContact CA-OD1 3.45Å; F95-N118 WeakPolarHBondContact CD1-ND2 3.44Å |
| 96 | C | 89.4 | Confident | 91.5 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 127.4 | 162.8 | -64.1 | 0 | 0 | 0 | 0 | 108 | Y87 W115 N118 | Y87-C96 HydrophobicContact CE1-CB 4.21Å; Y87-C96 HydrophobicContact CE2-CB 4.16Å; C96-W115 HydrophobicContact CB-CD2 4.22Å; C96-W115 HydrophobicContact CB-CE3 3.87Å; C96-W115 HydrophobicContact CB-CZ3 4.41Å; C96-N118 PolarHBondContact N-OD1 3.08Å |
| 97 | G | 91 | Very high | 90.9 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -153.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | S90 F95 W115 | S90-G97 WeakPolarHBondContact O-CA 3.12Å; S90-G97 PolarHBondContact O-N 2.93Å; S90-G97 WeakPolarHBondContact OG-CA 3.3Å; F95-G97 PolarHBondContact O-N 3.4Å; G97-W115 WeakPolarHBondContact O-CB 3.37Å |
| 98 | R | 93.5 | Very high | 90.2 | Very high | 171 Ų | 171 | 38.3 Ų | 38.3 | 65% | 0.645 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -36.4 | -173.5 | -173.7 | -178 | -72.3 | -120.5 | 2.2 | 113.1 | S90 S114 W115 | S90-R98 PolarHBondContact OG-N 2.93Å; S90-R98 VanDerWaalsContact OG-N 3.13Å; R98-S114 CarbonylContact O-C 3.59Å; R98-S114 VanDerWaalsContact O-CA 3.24Å; R98-S114 WeakPolarHBondContact O-CA 3.38Å; R98-W115 PolarHBondContact O-N 2.69Å |
| 99 | Y | 96.5 | Very high | 89.8 | Confident | 40 Ų | 40 | 37 Ų | 37 | 16% | 0.157 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146 | -176.4 | -52.3 | -64.8 | 0 | 0 | 0 | 110.7 | Y87 S90 G113 S114 R447 T450 | Y87-Y99 PolarHBondContact OH-O 3.45Å; S90-Y99 PolarHBondContact N-O 3.36Å; S90-Y99 PolarHBondContact OG-N 2.87Å; S90-Y99 PolarHBondContact OG-O 3.3Å; Y99-G113 WeakPolarHBondContact CA-O 3.41Å; Y99-S114 WeakPolarHBondContact CE1-OG 3.4Å; Y99-R447 PolarHBondContact OH-NH1 2.82Å; Y99-T450 HydrophobicContact CD1-CG2 4.37Å; Y99-T450 HydrophobicContact CD2-CG2 3.74Å; Y99-T450 HydrophobicContact CE2-CG2 3.87Å; Y99-T450 HydrophobicContact CG-CG2 3.99Å |
| 100 | G | 95.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.8 | 171.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R88 G113 W115 | R88-G100 CarbonylContact O-C 3.51Å; R88-G100 VanDerWaalsContact O-CA 3.31Å; R88-G100 WeakPolarHBondContact O-CA 3.26Å; G100-G113 PolarHBondContact N-O 3.37Å; G100-G113 PolarHBondContact O-N 2.91Å; G100-W115 PolarHBondContact O-NE1 3.08Å |
| 101 | I | 96.9 | Very high | 89.5 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.036 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132 | -178.7 | -64.5 | -173.9 | 0 | 0 | 0 | 108.5 | Y87 R88 E103 K110 Y111 E112 A451 R452 A455 | Y87-I101 CarbonylContact C-O 3.58Å; Y87-I101 VanDerWaalsContact CA-O 3.24Å; Y87-I101 WeakPolarHBondContact CA-O 3.44Å; Y87-I101 WeakPolarHBondContact CD2-O 3.49Å; R88-I101 PolarHBondContact N-O 2.9Å; R88-I101 PolarHBondContact O-N 2.95Å; I101-E103 HydrophobicContact CG2-CG 3.74Å; I101-E103 WeakPolarHBondContact CG2-OE1 3.32Å; I101-K110 HydrophobicContact CG2-CD 4.46Å; I101-K110 HydrophobicContact CG2-CG 4.26Å; I101-Y111 CarbonylContact C-O 3.57Å; I101-Y111 VanDerWaalsContact CA-O 3.28Å; I101-Y111 WeakPolarHBondContact CA-O 3.18Å; I101-E112 HydrophobicContact CD1-CG 4.01Å; I101-E112 HydrophobicContact CG1-CB 4.27Å; I101-E112 HydrophobicContact CG1-CG 3.99Å; I101-E112 HydrophobicContact CG2-CG 4.27Å; I101-A451 HydrophobicContact CG1-CB 4.05Å; I101-R452 HydrophobicContact CD1-CB 4.29Å; I101-R452 HydrophobicContact CD1-CG 3.73Å; I101-A455 HydrophobicContact CB-CB 4.19Å; I101-A455 HydrophobicContact CD1-CB 3.69Å; I101-A455 HydrophobicContact CG1-CB 3.9Å |
| 102 | K | 94.2 | Very high | 89.7 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128 | 167.7 | -179.2 | 173.4 | 174.8 | -180 | 0 | 109.2 | W85 V86 Y87 K110 Y111 W115 F120 L173 P174 G176 | W85-K102 HydrophobicContact CB-CG 4.44Å; V86-K102 CarbonylContact O-C 3.56Å; V86-K102 WeakPolarHBondContact O-CA 3.41Å; Y87-K102 HydrophobicContact CD2-CB 4.31Å; K102-K110 CarbonylContact O-C 3.57Å; K102-K110 WeakPolarHBondContact O-CA 3.27Å; K102-Y111 PolarHBondContact N-O 3.34Å; K102-Y111 PolarHBondContact O-N 3.3Å; K102-W115 HydrophobicContact CB-CH2 3.95Å; K102-W115 HydrophobicContact CB-CZ2 3.66Å; K102-W115 HydrophobicContact CD-CH2 3.75Å; K102-W115 HydrophobicContact CD-CZ2 4.33Å; K102-W115 HydrophobicContact CG-CH2 4.5Å; K102-F120 HydrophobicContact CD-CE1 4.31Å; K102-F120 HydrophobicContact CD-CZ 4.44Å; K102-L173 HydrophobicContact CB-CD1 4.27Å; K102-L173 HydrophobicContact CG-CD1 4.09Å; K102-L173 VanDerWaalsContact O-CD1 3.24Å; K102-L173 WeakPolarHBondContact O-CD1 3.2Å; K102-P174 PolarHBondContact NZ-O 3.19Å; K102-G176 PolarHBondContact NZ-O 3.14Å; K102-G176 VanDerWaalsContact NZ-O 3.11Å |
| 103 | E | 91.8 | Very high | 90 | Very high | 47 Ų | 47 | 35.7 Ų | 35.7 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 147.7 | -177.5 | -75.1 | 164.3 | 176.1 | 0 | 0 | 110.2 | W85 V86 R88 I101 K110 | W85-E103 CarbonylContact C-O 3.44Å; W85-E103 VanDerWaalsContact CA-O 3.25Å; W85-E103 WeakPolarHBondContact CA-O 3.48Å; V86-E103 HydrophobicContact CG1-CB 3.76Å; V86-E103 PolarHBondContact N-O 3.05Å; V86-E103 PolarHBondContact O-N 3.47Å; R88-E103 IonicContact NE-OE2 3.63Å; I101-E103 HydrophobicContact CG2-CG 3.74Å; I101-E103 WeakPolarHBondContact CG2-OE1 3.32Å; E103-K110 HydrophobicContact CG-CB 4.28Å; E103-K110 HydrophobicContact CG-CD 3.87Å; E103-K110 HydrophobicContact CG-CG 3.69Å; E103-K110 WeakPolarHBondContact OE1-CE 3.48Å; E103-K110 IonicContact OE1-NZ 2.99Å; E103-K110 PolarHBondContact OE1-NZ 3.05Å |
| 104 | S | 86.7 | Confident | 90.4 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 10% | 0.098 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 139.5 | 165.8 | -163 | 0 | 0 | 0 | 0 | 111.1 | W85 T106 S107 A109 | W85-S104 WeakPolarHBondContact CZ3-OG 3.2Å; S104-T106 VanDerWaalsContact C-N 3.28Å; S104-T106 PolarHBondContact OG-N 3.2Å; S104-T106 VanDerWaalsContact OG-N 3.17Å; S104-T106 PolarHBondContact OG-OG1 2.72Å; S104-S107 VanDerWaalsContact CB-O 3.29Å; S104-S107 WeakPolarHBondContact CB-O 3.24Å; S104-S107 WeakPolarHBondContact CB-OG 3.49Å; S104-S107 PolarHBondContact OG-N 2.78Å; S104-S107 PolarHBondContact OG-OG 3.49Å; S104-A109 WeakPolarHBondContact CB-O 3.33Å; S104-A109 PolarHBondContact N-O 3.1Å |
| 105 | L | 84.4 | Confident | 90.7 | Very high | 42 Ų | 42 | 32.3 Ų | 32.3 | 22% | 0.22 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -85.5 | -5.5 | 166.1 | -62.6 | 175.3 | 0 | 0 | 0 | 112.2 | I81 R84 V86 L496 V501 | I81-L105 HydrophobicContact CG2-CD1 3.93Å; R84-L105 PolarHBondContact O-N 3.19Å; V86-L105 HydrophobicContact CB-CD2 4.08Å; V86-L105 HydrophobicContact CB-CG 4.46Å; V86-L105 HydrophobicContact CG1-CD2 3.89Å; V86-L105 HydrophobicContact CG1-CG 4.5Å; L105-L496 HydrophobicContact CD1-CB 4.31Å; L105-V501 HydrophobicContact CD2-CG1 4.07Å; L105-V501 HydrophobicContact CD2-CG2 3.92Å |
| 106 | T | 78.6 | Confident | 90.7 | Very high | 75 Ų | 75 | 34.8 Ų | 34.8 | 46% | 0.46 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -125 | -10.5 | -171.8 | 56 | 0 | 0 | 0 | 0 | 114.4 | R84 S104 L496 | R84-T106 HydrophobicContact CB-CG2 4.38Å; R84-T106 HydrophobicContact CG-CG2 4.3Å; S104-T106 VanDerWaalsContact C-N 3.28Å; S104-T106 PolarHBondContact OG-N 3.2Å; S104-T106 VanDerWaalsContact OG-N 3.17Å; S104-T106 PolarHBondContact OG-OG1 2.72Å; T106-L496 HydrophobicContact CG2-CD1 4.38Å; T106-L496 HydrophobicContact CG2-CD2 3.66Å |
| 107 | S | 79.8 | Confident | 90.5 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 30% | 0.301 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -146.8 | 177.5 | -178.3 | 63.2 | 0 | 0 | 0 | 0 | 109.7 | S104 A109 | S104-S107 VanDerWaalsContact CB-O 3.29Å; S104-S107 WeakPolarHBondContact CB-O 3.24Å; S104-S107 WeakPolarHBondContact CB-OG 3.49Å; S104-S107 PolarHBondContact OG-N 2.78Å; S104-S107 PolarHBondContact OG-OG 3.49Å; S107-A109 PolarHBondContact O-N 3.3Å; S107-A109 PolarHBondContact OG-N 3.12Å |
| 108 | C | 81.9 | Confident | 90.2 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 51% | 0.514 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -83.2 | 7.1 | 173.2 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | K110 S129 | C108-K110 PolarHBondContact O-N 3.26Å; C108-S129 VanDerWaalsContact SG-C 3.51Å; C108-S129 PolarHBondContact SG-O 2.85Å |
| 109 | A | 87 | Confident | 89.9 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | trans | -66.4 | 129.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | W85 S104 S107 T127 L173 | W85-A109 HydrophobicContact CZ3-CB 4.41Å; S104-A109 WeakPolarHBondContact CB-O 3.33Å; S104-A109 PolarHBondContact N-O 3.1Å; S107-A109 PolarHBondContact O-N 3.3Å; S107-A109 PolarHBondContact OG-N 3.12Å; A109-T127 CarbonylContact C-O 3.45Å; A109-T127 VanDerWaalsContact CA-O 3.25Å; A109-T127 WeakPolarHBondContact CA-O 3.46Å; A109-L173 HydrophobicContact CB-CD2 3.53Å; A109-L173 HydrophobicContact CB-CG 3.98Å | ||
| 110 | K | 92.1 | Very high | 89.6 | Confident | 50 Ų | 50 | 32.9 Ų | 32.9 | 22% | 0.217 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 142.6 | -171.5 | -177 | 172.5 | -167.4 | 179.8 | 0 | 111.3 | I101 K102 E103 C108 E112 E126 T127 L173 | I101-K110 HydrophobicContact CG2-CD 4.46Å; I101-K110 HydrophobicContact CG2-CG 4.26Å; K102-K110 CarbonylContact O-C 3.57Å; K102-K110 WeakPolarHBondContact O-CA 3.27Å; E103-K110 HydrophobicContact CG-CB 4.28Å; E103-K110 HydrophobicContact CG-CD 3.87Å; E103-K110 HydrophobicContact CG-CG 3.69Å; E103-K110 WeakPolarHBondContact OE1-CE 3.48Å; E103-K110 IonicContact OE1-NZ 2.99Å; E103-K110 PolarHBondContact OE1-NZ 3.05Å; C108-K110 PolarHBondContact O-N 3.26Å; K110-E112 HydrophobicContact CD-CG 4.1Å; K110-E112 WeakPolarHBondContact CD-OE1 3.42Å; K110-E112 WeakPolarHBondContact CE-OE1 3.29Å; K110-E112 HydrophobicContact CG-CG 4.07Å; K110-E112 IonicContact NZ-OE1 2.74Å; K110-E112 PolarHBondContact NZ-OE1 3.05Å; K110-E126 CarbonylContact O-C 3.56Å; K110-E126 WeakPolarHBondContact O-CA 3.42Å; K110-T127 PolarHBondContact N-O 3.29Å; K110-T127 PolarHBondContact O-N 2.71Å; K110-L173 VanDerWaalsContact C-CD1 3.43Å |
| 111 | Y | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.8 | 169.4 | 173.3 | -97.4 | 0 | 0 | 0 | 109.5 | I101 K102 S114 W115 F120 V125 E126 W138 L173 | I101-Y111 CarbonylContact C-O 3.57Å; I101-Y111 VanDerWaalsContact CA-O 3.28Å; I101-Y111 WeakPolarHBondContact CA-O 3.18Å; K102-Y111 PolarHBondContact N-O 3.34Å; K102-Y111 PolarHBondContact O-N 3.3Å; Y111-S114 PolarHBondContact OH-O 2.84Å; Y111-W115 AromaticContact CD1-CE2 3.83Å; Y111-W115 AromaticContact CD1-CZ2 3.75Å; Y111-W115 HydrophobicContact CD1-CZ2 3.75Å; Y111-W115 AromaticContact CD1-NE1 3.76Å; Y111-W115 HydrophobicContact CE1-CD2 4.46Å; Y111-W115 AromaticContact CE1-CE2 3.76Å; Y111-W115 HydrophobicContact CE1-CZ2 4.13Å; Y111-W115 AromaticContact CE1-NE1 3.5Å; Y111-F120 AromaticContact CD1-CD1 3.28Å; Y111-F120 HydrophobicContact CD1-CD1 3.28Å; Y111-F120 HydrophobicContact CD1-CD2 4.48Å; Y111-F120 AromaticContact CD1-CE1 3.29Å; Y111-F120 HydrophobicContact CD1-CE1 3.29Å; Y111-F120 HydrophobicContact CD1-CE2 4.49Å; Y111-F120 AromaticContact CD1-CG 3.93Å; Y111-F120 HydrophobicContact CD1-CG 3.93Å; Y111-F120 AromaticContact CD1-CZ 3.94Å; Y111-F120 HydrophobicContact CD1-CZ 3.94Å; Y111-F120 HydrophobicContact CD2-CD1 4.12Å; Y111-F120 AromaticContact CD2-CD2 3.87Å; Y111-F120 HydrophobicContact CD2-CD2 3.87Å; Y111-F120 HydrophobicContact CD2-CE1 4.23Å; Y111-F120 HydrophobicContact CD2-CE2 4.01Å; Y111-F120 AromaticContact CD2-CG 3.94Å; Y111-F120 HydrophobicContact CD2-CG 3.94Å; Y111-F120 HydrophobicContact CD2-CZ 4.19Å; Y111-F120 HydrophobicContact CE1-CB 4.03Å; Y111-F120 AromaticContact CE1-CD1 3.31Å; Y111-F120 HydrophobicContact CE1-CD1 3.31Å; Y111-F120 AromaticContact CE1-CE1 3.86Å; Y111-F120 HydrophobicContact CE1-CE1 3.86Å; Y111-F120 AromaticContact CE1-CG 3.75Å; Y111-F120 HydrophobicContact CE1-CG 3.75Å; Y111-F120 HydrophobicContact CE2-CB 3.89Å; Y111-F120 HydrophobicContact CE2-CD1 4.15Å; Y111-F120 HydrophobicContact CE2-CD2 4.03Å; Y111-F120 AromaticContact CE2-CG 3.78Å; Y111-F120 HydrophobicContact CE2-CG 3.78Å; Y111-F120 AromaticContact CG-CD1 3.7Å; Y111-F120 HydrophobicContact CG-CD1 3.7Å; Y111-F120 HydrophobicContact CG-CD2 4.1Å; Y111-F120 AromaticContact CG-CE1 3.5Å; Y111-F120 HydrophobicContact CG-CE1 3.5Å; Y111-F120 VanDerWaalsContact CG-CE1 3.5Å; Y111-F120 AromaticContact CG-CE2 3.93Å; Y111-F120 HydrophobicContact CG-CE2 3.93Å; Y111-F120 HydrophobicContact CG-CG 4Å; Y111-F120 AromaticContact CG-CZ 3.63Å; Y111-F120 HydrophobicContact CG-CZ 3.63Å; Y111-F120 AromaticContact CZ-CD1 3.77Å; Y111-F120 AromaticContact CZ-CG 3.67Å; Y111-V125 CarbonylContact C-O 3.55Å; Y111-V125 WeakPolarHBondContact CA-O 3.42Å; Y111-E126 HydrophobicContact CD2-CB 4.24Å; Y111-W138 HydrophobicContact CD2-CZ2 4.19Å; Y111-W138 HydrophobicContact CE2-CD2 4.15Å; Y111-W138 AromaticContact CE2-CE2 3.69Å; Y111-W138 HydrophobicContact CE2-CG 4.39Å; Y111-W138 HydrophobicContact CE2-CZ2 4.01Å; Y111-W138 AromaticContact CE2-NE1 3.69Å; Y111-L173 VanDerWaalsContact N-CD1 3.31Å |
| 112 | E | 96.7 | Very high | 89.4 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 116.4 | 178.5 | -55 | -178.7 | 168.5 | 0 | 0 | 108.8 | I101 K110 G124 V125 A448 R452 | I101-E112 HydrophobicContact CD1-CG 4.01Å; I101-E112 HydrophobicContact CG1-CB 4.27Å; I101-E112 HydrophobicContact CG1-CG 3.99Å; I101-E112 HydrophobicContact CG2-CG 4.27Å; K110-E112 HydrophobicContact CD-CG 4.1Å; K110-E112 WeakPolarHBondContact CD-OE1 3.42Å; K110-E112 WeakPolarHBondContact CE-OE1 3.29Å; K110-E112 HydrophobicContact CG-CG 4.07Å; K110-E112 IonicContact NZ-OE1 2.74Å; K110-E112 PolarHBondContact NZ-OE1 3.05Å; E112-G124 CarbonylContact O-C 3.48Å; E112-G124 VanDerWaalsContact O-CA 3.26Å; E112-G124 WeakPolarHBondContact O-CA 3.24Å; E112-V125 PolarHBondContact N-O 3.22Å; E112-V125 PolarHBondContact O-N 3.32Å; E112-A448 HydrophobicContact CB-CB 3.86Å; E112-R452 IonicContact OE1-NE 3.56Å; E112-R452 IonicContact OE2-CZ 3.93Å; E112-R452 IonicContact OE2-NE 2.82Å; E112-R452 PolarHBondContact OE2-NE 2.97Å; E112-R452 IonicContact OE2-NH2 3.3Å; E112-R452 PolarHBondContact OE2-NH2 3.31Å |
| 113 | G | 96.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.2 | -145.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y99 G100 W115 | Y99-G113 WeakPolarHBondContact CA-O 3.41Å; G100-G113 PolarHBondContact N-O 3.37Å; G100-G113 PolarHBondContact O-N 2.91Å; G113-W115 VanDerWaalsContact O-CD1 3.26Å |
| 114 | S | 95.8 | Very high | 89.7 | Confident | 13 Ų | 13 | 36.9 Ų | 36.9 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 151.7 | -173.3 | -49.5 | 0 | 0 | 0 | 0 | 111.8 | R98 Y99 Y111 D121 F123 | R98-S114 CarbonylContact O-C 3.59Å; R98-S114 VanDerWaalsContact O-CA 3.24Å; R98-S114 WeakPolarHBondContact O-CA 3.38Å; Y99-S114 WeakPolarHBondContact CE1-OG 3.4Å; Y111-S114 PolarHBondContact OH-O 2.84Å; S114-D121 CarbonylContact C-O 3.51Å; S114-D121 VanDerWaalsContact C-O 3.27Å; S114-D121 WeakPolarHBondContact CB-O 3.25Å; S114-D121 PolarHBondContact O-N 3.02Å; S114-D121 VanDerWaalsContact O-O 3.06Å; S114-F123 PolarHBondContact N-O 3.19Å; S114-F123 PolarHBondContact OG-O 3.4Å |
| 115 | W | 92.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 4% | 0.038 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 144.6 | -171.1 | -74.9 | 83.9 | 0 | 0 | 0 | 110.6 | Y87 C96 G97 R98 G100 K102 Y111 G113 Q119 F120 | Y87-W115 HydrophobicContact CD2-CH2 4.08Å; Y87-W115 AromaticContact CD2-CZ2 3.71Å; Y87-W115 HydrophobicContact CD2-CZ2 3.71Å; Y87-W115 HydrophobicContact CE2-CD2 4Å; Y87-W115 AromaticContact CE2-CE2 3.49Å; Y87-W115 VanDerWaalsContact CE2-CE2 3.49Å; Y87-W115 HydrophobicContact CE2-CG 4.44Å; Y87-W115 HydrophobicContact CE2-CH2 4.2Å; Y87-W115 AromaticContact CE2-CZ2 3.61Å; Y87-W115 HydrophobicContact CE2-CZ2 3.61Å; Y87-W115 AromaticContact CE2-NE1 3.68Å; C96-W115 HydrophobicContact CB-CD2 4.22Å; C96-W115 HydrophobicContact CB-CE3 3.87Å; C96-W115 HydrophobicContact CB-CZ3 4.41Å; G97-W115 WeakPolarHBondContact O-CB 3.37Å; R98-W115 PolarHBondContact O-N 2.69Å; G100-W115 PolarHBondContact O-NE1 3.08Å; K102-W115 HydrophobicContact CB-CH2 3.95Å; K102-W115 HydrophobicContact CB-CZ2 3.66Å; K102-W115 HydrophobicContact CD-CH2 3.75Å; K102-W115 HydrophobicContact CD-CZ2 4.33Å; K102-W115 HydrophobicContact CG-CH2 4.5Å; Y111-W115 AromaticContact CD1-CE2 3.83Å; Y111-W115 AromaticContact CD1-CZ2 3.75Å; Y111-W115 HydrophobicContact CD1-CZ2 3.75Å; Y111-W115 AromaticContact CD1-NE1 3.76Å; Y111-W115 HydrophobicContact CE1-CD2 4.46Å; Y111-W115 AromaticContact CE1-CE2 3.76Å; Y111-W115 HydrophobicContact CE1-CZ2 4.13Å; Y111-W115 AromaticContact CE1-NE1 3.5Å; G113-W115 VanDerWaalsContact O-CD1 3.26Å; W115-Q119 WeakPolarHBondContact CA-O 3.43Å; W115-F120 HydrophobicContact CD2-CD1 4.35Å; W115-F120 HydrophobicContact CE3-CD1 4.24Å; W115-F120 AromaticContact CH2-CD1 3.69Å; W115-F120 HydrophobicContact CH2-CD1 3.69Å; W115-F120 AromaticContact CH2-CE1 3.31Å; W115-F120 HydrophobicContact CH2-CE1 3.31Å; W115-F120 HydrophobicContact CH2-CZ 4.5Å; W115-F120 AromaticContact CZ2-CD1 3.77Å; W115-F120 HydrophobicContact CZ2-CD1 3.77Å; W115-F120 AromaticContact CZ2-CE1 3.47Å; W115-F120 HydrophobicContact CZ2-CE1 3.47Å; W115-F120 VanDerWaalsContact CZ2-CE1 3.47Å; W115-F120 AromaticContact CZ3-CD1 3.91Å; W115-F120 HydrophobicContact CZ3-CD1 3.91Å; W115-F120 AromaticContact CZ3-CE1 3.94Å; W115-F120 HydrophobicContact CZ3-CE1 3.94Å |
| 116 | H | 87.9 | Confident | 90.6 | Very high | 107 Ų | 107 | 35.3 Ų | 35.3 | 50% | 0.495 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 127.5 | 171.7 | -173.3 | 63.8 | 0 | 0 | 0 | 109.8 | N118 Q119 D121 | H116-N118 VanDerWaalsContact C-N 3.32Å; H116-N118 PolarHBondContact O-N 3.22Å; H116-Q119 PolarHBondContact N-O 2.96Å; H116-Q119 PolarHBondContact O-N 3.44Å; H116-D121 HydrophobicContact CB-CB 3.63Å |
| 117 | L | 84.8 | Confident | 91.2 | Very high | 104 Ų | 104 | 33.6 Ų | 33.6 | 55% | 0.545 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 49.6 | 176.7 | -60.8 | 173.1 | 0 | 0 | 0 | 113.3 | Q119 | L117-Q119 PolarHBondContact O-N 2.99Š|
| 118 | N | 85.7 | Confident | 91.5 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 20.3 | -177.2 | -65.3 | -19.3 | 0 | 0 | 0 | 115.5 | F95 C96 H116 S175 T177 | F95-N118 WeakPolarHBondContact CA-OD1 3.45Å; F95-N118 WeakPolarHBondContact CD1-ND2 3.44Å; C96-N118 PolarHBondContact N-OD1 3.08Å; H116-N118 VanDerWaalsContact C-N 3.32Å; H116-N118 PolarHBondContact O-N 3.22Å; N118-S175 VanDerWaalsContact O-O 3.05Å; N118-T177 HydrophobicContact CB-CG2 4.11Å; N118-T177 PolarHBondContact ND2-OG1 2.87Å |
| 119 | Q | 87.5 | Confident | 91.3 | Very high | 63 Ų | 63 | 28.3 Ų | 28.3 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153.6 | 176.6 | -63.4 | 176.2 | 13.9 | 0 | 0 | 110.7 | W115 H116 L117 D121 K140 | W115-Q119 WeakPolarHBondContact CA-O 3.43Å; H116-Q119 PolarHBondContact N-O 2.96Å; H116-Q119 PolarHBondContact O-N 3.44Å; L117-Q119 PolarHBondContact O-N 2.99Å; Q119-D121 PolarHBondContact O-N 2.73Å; Q119-K140 VanDerWaalsContact OE1-C 3.28Å; Q119-K140 VanDerWaalsContact OE1-CA 3.28Å; Q119-K140 PolarHBondContact OE1-O 2.75Å |
| 120 | F | 89.7 | Confident | 90.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 129.2 | 169.8 | -49.2 | -26.1 | 0 | 0 | 0 | 109 | K102 Y111 W115 W138 G141 L173 | K102-F120 HydrophobicContact CD-CE1 4.31Å; K102-F120 HydrophobicContact CD-CZ 4.44Å; Y111-F120 AromaticContact CD1-CD1 3.28Å; Y111-F120 HydrophobicContact CD1-CD1 3.28Å; Y111-F120 HydrophobicContact CD1-CD2 4.48Å; Y111-F120 AromaticContact CD1-CE1 3.29Å; Y111-F120 HydrophobicContact CD1-CE1 3.29Å; Y111-F120 HydrophobicContact CD1-CE2 4.49Å; Y111-F120 AromaticContact CD1-CG 3.93Å; Y111-F120 HydrophobicContact CD1-CG 3.93Å; Y111-F120 AromaticContact CD1-CZ 3.94Å; Y111-F120 HydrophobicContact CD1-CZ 3.94Å; Y111-F120 HydrophobicContact CD2-CD1 4.12Å; Y111-F120 AromaticContact CD2-CD2 3.87Å; Y111-F120 HydrophobicContact CD2-CD2 3.87Å; Y111-F120 HydrophobicContact CD2-CE1 4.23Å; Y111-F120 HydrophobicContact CD2-CE2 4.01Å; Y111-F120 AromaticContact CD2-CG 3.94Å; Y111-F120 HydrophobicContact CD2-CG 3.94Å; Y111-F120 HydrophobicContact CD2-CZ 4.19Å; Y111-F120 HydrophobicContact CE1-CB 4.03Å; Y111-F120 AromaticContact CE1-CD1 3.31Å; Y111-F120 HydrophobicContact CE1-CD1 3.31Å; Y111-F120 AromaticContact CE1-CE1 3.86Å; Y111-F120 HydrophobicContact CE1-CE1 3.86Å; Y111-F120 AromaticContact CE1-CG 3.75Å; Y111-F120 HydrophobicContact CE1-CG 3.75Å; Y111-F120 HydrophobicContact CE2-CB 3.89Å; Y111-F120 HydrophobicContact CE2-CD1 4.15Å; Y111-F120 HydrophobicContact CE2-CD2 4.03Å; Y111-F120 AromaticContact CE2-CG 3.78Å; Y111-F120 HydrophobicContact CE2-CG 3.78Å; Y111-F120 AromaticContact CG-CD1 3.7Å; Y111-F120 HydrophobicContact CG-CD1 3.7Å; Y111-F120 HydrophobicContact CG-CD2 4.1Å; Y111-F120 AromaticContact CG-CE1 3.5Å; Y111-F120 HydrophobicContact CG-CE1 3.5Å; Y111-F120 VanDerWaalsContact CG-CE1 3.5Å; Y111-F120 AromaticContact CG-CE2 3.93Å; Y111-F120 HydrophobicContact CG-CE2 3.93Å; Y111-F120 HydrophobicContact CG-CG 4Å; Y111-F120 AromaticContact CG-CZ 3.63Å; Y111-F120 HydrophobicContact CG-CZ 3.63Å; Y111-F120 AromaticContact CZ-CD1 3.77Å; Y111-F120 AromaticContact CZ-CG 3.67Å; W115-F120 HydrophobicContact CD2-CD1 4.35Å; W115-F120 HydrophobicContact CE3-CD1 4.24Å; W115-F120 AromaticContact CH2-CD1 3.69Å; W115-F120 HydrophobicContact CH2-CD1 3.69Å; W115-F120 AromaticContact CH2-CE1 3.31Å; W115-F120 HydrophobicContact CH2-CE1 3.31Å; W115-F120 HydrophobicContact CH2-CZ 4.5Å; W115-F120 AromaticContact CZ2-CD1 3.77Å; W115-F120 HydrophobicContact CZ2-CD1 3.77Å; W115-F120 AromaticContact CZ2-CE1 3.47Å; W115-F120 HydrophobicContact CZ2-CE1 3.47Å; W115-F120 VanDerWaalsContact CZ2-CE1 3.47Å; W115-F120 AromaticContact CZ3-CD1 3.91Å; W115-F120 HydrophobicContact CZ3-CD1 3.91Å; W115-F120 AromaticContact CZ3-CE1 3.94Å; W115-F120 HydrophobicContact CZ3-CE1 3.94Å; F120-W138 HydrophobicContact CB-CB 4.38Å; F120-W138 HydrophobicContact CB-CD2 4.08Å; F120-W138 HydrophobicContact CB-CE3 3.88Å; F120-W138 HydrophobicContact CB-CG 4.32Å; F120-W138 HydrophobicContact CB-CZ3 4.5Å; F120-W138 HydrophobicContact CD2-CE3 4.03Å; F120-W138 HydrophobicContact CD2-CH2 4.15Å; F120-W138 AromaticContact CD2-CZ3 3.78Å; F120-W138 HydrophobicContact CD2-CZ3 3.78Å; F120-W138 HydrophobicContact CG-CE3 4.48Å; F120-G141 WeakPolarHBondContact O-CA 3.49Å; F120-G141 PolarHBondContact O-N 3.02Å; F120-L173 HydrophobicContact CE2-CB 4.22Å; F120-L173 HydrophobicContact CZ-CB 3.9Å; F120-L173 HydrophobicContact CZ-CD1 4.4Å |
| 121 | D | 92.5 | Very high | 90.2 | Very high | 50 Ų | 50 | 28.5 Ų | 28.5 | 27% | 0.267 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 159.2 | -177.1 | -164.4 | 55.6 | 0 | 0 | 0 | 109.6 | S114 H116 Q119 F123 W138 S139 | S114-D121 CarbonylContact C-O 3.51Å; S114-D121 VanDerWaalsContact C-O 3.27Å; S114-D121 WeakPolarHBondContact CB-O 3.25Å; S114-D121 PolarHBondContact O-N 3.02Å; S114-D121 VanDerWaalsContact O-O 3.06Å; H116-D121 HydrophobicContact CB-CB 3.63Å; Q119-D121 PolarHBondContact O-N 2.73Å; D121-F123 PolarHBondContact O-N 3.08Å; D121-W138 CarbonylContact C-O 3.59Å; D121-S139 WeakPolarHBondContact OD1-CA 3.43Å |
| 122 | G | 95.3 | Very high | 89.8 | Confident | 28 Ų | 28 | 28.5 Ų | 28.5 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.8 | -120.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | A137 W138 | G122-A137 CarbonylContact O-C 3.57Å; G122-A137 VanDerWaalsContact O-CA 3.24Å; G122-A137 WeakPolarHBondContact O-CA 3.33Å; G122-W138 PolarHBondContact N-O 3.36Å; G122-W138 PolarHBondContact O-N 3.1Å |
| 123 | F | 97.4 | Very high | 89.5 | Confident | 67 Ų | 67 | 31 Ų | 31 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.8 | 178.5 | -66.6 | -92.5 | 0 | 0 | 0 | 111 | S114 D121 G136 A137 A444 R447 | S114-F123 PolarHBondContact N-O 3.19Å; S114-F123 PolarHBondContact OG-O 3.4Å; D121-F123 PolarHBondContact O-N 3.08Å; F123-G136 WeakPolarHBondContact CA-O 3.41Å; F123-A137 HydrophobicContact CD1-CB 4.03Å; F123-A137 HydrophobicContact CE1-CB 3.77Å; F123-A137 HydrophobicContact CZ-CB 4.27Å; F123-A444 HydrophobicContact CB-CB 4.43Å; F123-R447 HydrophobicContact CB-CB 4.46Å; F123-R447 HydrophobicContact CB-CG 3.84Å; F123-R447 WeakPolarHBondContact O-CB 3.39Å |
| 124 | G | 96.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174 | 167.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E112 G136 W138 | E112-G124 CarbonylContact O-C 3.48Å; E112-G124 VanDerWaalsContact O-CA 3.26Å; E112-G124 WeakPolarHBondContact O-CA 3.24Å; G124-G136 PolarHBondContact N-O 2.98Å; G124-G136 VanDerWaalsContact N-O 3.14Å; G124-G136 PolarHBondContact O-N 2.98Å; G124-W138 PolarHBondContact O-NE1 2.9Å; G124-W138 VanDerWaalsContact O-NE1 3.14Å |
| 125 | V | 96.5 | Very high | 89.4 | Confident | 18 Ų | 18 | 30.6 Ų | 30.6 | 11% | 0.109 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.4 | 179.4 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | Y111 E112 I133 Y134 A135 A444 A448 | Y111-V125 CarbonylContact C-O 3.55Å; Y111-V125 WeakPolarHBondContact CA-O 3.42Å; E112-V125 PolarHBondContact N-O 3.22Å; E112-V125 PolarHBondContact O-N 3.32Å; V125-I133 HydrophobicContact CG1-CG2 3.95Å; V125-Y134 CarbonylContact C-O 3.14Å; V125-Y134 VanDerWaalsContact CA-O 3.26Å; V125-Y134 WeakPolarHBondContact CA-O 3.35Å; V125-A135 HydrophobicContact CG2-CB 3.98Å; V125-A444 HydrophobicContact CG2-CB 4.13Å; V125-A448 HydrophobicContact CB-CB 4.22Å; V125-A448 HydrophobicContact CG2-CB 3.82Å |
| 126 | E | 93.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.4 | 171.6 | 178.6 | -177.6 | -137.4 | 0 | 0 | 109.6 | K110 Y111 I133 Y134 W138 S172 L173 | K110-E126 CarbonylContact O-C 3.56Å; K110-E126 WeakPolarHBondContact O-CA 3.42Å; Y111-E126 HydrophobicContact CD2-CB 4.24Å; E126-I133 CarbonylContact O-C 3.55Å; E126-I133 VanDerWaalsContact O-CA 3.29Å; E126-I133 WeakPolarHBondContact O-CA 3.49Å; E126-Y134 PolarHBondContact N-O 2.96Å; E126-Y134 PolarHBondContact O-N 2.87Å; E126-W138 HydrophobicContact CB-CH2 4.06Å; E126-W138 HydrophobicContact CB-CZ2 3.68Å; E126-W138 WeakPolarHBondContact OE2-CH2 3.3Å; E126-S172 WeakPolarHBondContact OE1-CB 3.26Å; E126-L173 PolarHBondContact OE1-N 2.99Å |
| 127 | T | 91.1 | Very high | 90 | Very high | 39 Ų | 39 | 25.7 Ų | 25.7 | 24% | 0.239 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.7 | 161.9 | -54 | 0 | 0 | 0 | 0 | 107.5 | A109 K110 S132 I133 | A109-T127 CarbonylContact C-O 3.45Å; A109-T127 VanDerWaalsContact CA-O 3.25Å; A109-T127 WeakPolarHBondContact CA-O 3.46Å; K110-T127 PolarHBondContact N-O 3.29Å; K110-T127 PolarHBondContact O-N 2.71Å; T127-S132 CarbonylContact C-O 3.54Å; T127-S132 WeakPolarHBondContact CA-O 3.42Å; T127-I133 HydrophobicContact CG2-CG1 4.41Å |
| 128 | N | 85.7 | Confident | 90.4 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -78 | 166.8 | 175.5 | -68 | -59.7 | 0 | 0 | 0 | 110.7 | D130 G131 S132 S172 T305 | N128-D130 WeakPolarHBondContact CB-OD1 3.09Å; N128-D130 PolarHBondContact O-N 3.08Å; N128-G131 PolarHBondContact O-N 3.1Å; N128-S132 VanDerWaalsContact CB-OG 3.3Å; N128-S132 WeakPolarHBondContact CB-OG 3.45Å; N128-S132 PolarHBondContact N-O 3.19Å; N128-S132 PolarHBondContact ND2-O 3.44Å; N128-S132 PolarHBondContact ND2-OG 3.23Å; N128-S172 WeakPolarHBondContact OD1-CA 3.45Å; N128-S172 WeakPolarHBondContact OD1-CB 3.49Å; N128-T305 HydrophobicContact CB-CG2 4.33Å; N128-T305 WeakPolarHBondContact ND2-CG2 3.24Å | ||
| 129 | S | 78.1 | Confident | 90.7 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 6% | 0.056 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.9 | 179.6 | 63.9 | 0 | 0 | 0 | 0 | 114.6 | C108 G131 F160 N171 | C108-S129 VanDerWaalsContact SG-C 3.51Å; C108-S129 PolarHBondContact SG-O 2.85Å; S129-G131 VanDerWaalsContact C-N 3.29Å; S129-F160 VanDerWaalsContact CB-CZ 3.41Å; S129-F160 WeakPolarHBondContact O-CE2 3.48Å; S129-F160 WeakPolarHBondContact O-CZ 3.05Å; S129-F160 WeakPolarHBondContact OG-CE1 3.5Å; S129-F160 WeakPolarHBondContact OG-CZ 3.29Å; S129-N171 WeakPolarHBondContact CB-O 3.4Å; S129-N171 PolarHBondContact N-O 2.84Å; S129-N171 WeakPolarHBondContact OG-CA 3.4Å; S129-N171 PolarHBondContact OG-O 3.12Å |
| 130 | D | 75.6 | Confident | 90.7 | Very high | 19 Ų | 19 | 26.5 Ų | 26.5 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -5.8 | 172.6 | 65.6 | -12.8 | 0 | 0 | 0 | 112.3 | N128 S132 A152 F160 | N128-D130 WeakPolarHBondContact CB-OD1 3.09Å; N128-D130 PolarHBondContact O-N 3.08Å; D130-S132 VanDerWaalsContact OD1-CB 3.28Å; D130-S132 WeakPolarHBondContact OD1-CB 3.47Å; D130-S132 PolarHBondContact OD1-N 3.29Å; D130-S132 PolarHBondContact OD1-OG 2.98Å; D130-S132 PolarHBondContact OD2-OG 2.88Å; D130-A152 HydrophobicContact CB-CB 4.39Å; D130-A152 WeakPolarHBondContact O-CB 3.47Å; D130-F160 HydrophobicContact CB-CB 4.27Å; D130-F160 HydrophobicContact CB-CD1 3.66Å; D130-F160 HydrophobicContact CB-CE1 4.15Å; D130-F160 HydrophobicContact CB-CG 3.9Å |
| 131 | G | 80.1 | Confident | 90.5 | Very high | 36 Ų | 36 | 26.8 Ų | 26.8 | 37% | 0.371 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 89.1 | 1.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N128 S129 | N128-G131 PolarHBondContact O-N 3.1Å; S129-G131 VanDerWaalsContact C-N 3.29Å |
| 132 | S | 86.2 | Confident | 90.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | trans | -69.6 | 146.5 | 173.3 | 63.8 | 0 | 0 | 0 | 0 | 111.4 | T127 N128 D130 R150 T305 | T127-S132 CarbonylContact C-O 3.54Å; T127-S132 WeakPolarHBondContact CA-O 3.42Å; N128-S132 VanDerWaalsContact CB-OG 3.3Å; N128-S132 WeakPolarHBondContact CB-OG 3.45Å; N128-S132 PolarHBondContact N-O 3.19Å; N128-S132 PolarHBondContact ND2-O 3.44Å; N128-S132 PolarHBondContact ND2-OG 3.23Å; D130-S132 VanDerWaalsContact OD1-CB 3.28Å; D130-S132 WeakPolarHBondContact OD1-CB 3.47Å; D130-S132 PolarHBondContact OD1-N 3.29Å; D130-S132 PolarHBondContact OD1-OG 2.98Å; D130-S132 PolarHBondContact OD2-OG 2.88Å; S132-R150 CarbonylContact C-O 3.5Å; S132-R150 WeakPolarHBondContact CA-O 3.44Å; S132-R150 WeakPolarHBondContact CB-O 3.41Å; S132-T305 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 133 | I | 91.2 | Very high | 90.1 | Very high | 70 Ų | 70 | 25.1 Ų | 25.1 | 36% | 0.359 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 139 | -174.4 | -60.4 | 169.6 | 0 | 0 | 0 | 109.8 | V125 E126 T127 R149 R150 | V125-I133 HydrophobicContact CG1-CG2 3.95Å; E126-I133 CarbonylContact O-C 3.55Å; E126-I133 VanDerWaalsContact O-CA 3.29Å; E126-I133 WeakPolarHBondContact O-CA 3.49Å; T127-I133 HydrophobicContact CG2-CG1 4.41Å; I133-R149 CarbonylContact O-C 3.53Å; I133-R149 VanDerWaalsContact O-CA 3.25Å; I133-R149 WeakPolarHBondContact O-CA 3.39Å; I133-R150 PolarHBondContact N-O 3.41Å; I133-R150 PolarHBondContact O-N 3Å |
| 134 | Y | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.7 | 165.4 | 173.3 | -92.4 | 0 | 0 | 0 | 109.5 | V125 E126 A137 W138 R143 V148 R149 W349 | V125-Y134 CarbonylContact C-O 3.14Å; V125-Y134 VanDerWaalsContact CA-O 3.26Å; V125-Y134 WeakPolarHBondContact CA-O 3.35Å; E126-Y134 PolarHBondContact N-O 2.96Å; E126-Y134 PolarHBondContact O-N 2.87Å; Y134-A137 PolarHBondContact OH-N 2.71Å; Y134-A137 PolarHBondContact OH-O 3.05Å; Y134-W138 AromaticContact CD1-CE2 3.74Å; Y134-W138 HydrophobicContact CD1-CH2 4.29Å; Y134-W138 AromaticContact CD1-CZ2 3.42Å; Y134-W138 HydrophobicContact CD1-CZ2 3.42Å; Y134-W138 VanDerWaalsContact CD1-CZ2 3.42Å; Y134-W138 AromaticContact CD1-NE1 3.85Å; Y134-W138 HydrophobicContact CE1-CD2 4.43Å; Y134-W138 AromaticContact CE1-CE2 3.64Å; Y134-W138 AromaticContact CE1-CZ2 3.79Å; Y134-W138 HydrophobicContact CE1-CZ2 3.79Å; Y134-W138 AromaticContact CE1-NE1 3.56Å; Y134-W138 HydrophobicContact CG-CZ2 4.48Å; Y134-R143 HydrophobicContact CD1-CG 3.78Å; Y134-R143 HydrophobicContact CD2-CG 4.18Å; Y134-R143 HydrophobicContact CE1-CB 4.09Å; Y134-R143 HydrophobicContact CE1-CG 3.52Å; Y134-R143 HydrophobicContact CE2-CB 4.08Å; Y134-R143 HydrophobicContact CE2-CG 3.94Å; Y134-R143 HydrophobicContact CG-CG 4.09Å; Y134-V148 CarbonylContact C-O 3.53Å; Y134-V148 WeakPolarHBondContact CA-O 3.4Å; Y134-R149 HydrophobicContact CD2-CB 4.16Å; Y134-W349 HydrophobicContact CD2-CZ2 4.23Å; Y134-W349 AromaticContact CE2-CD1 4Å; Y134-W349 HydrophobicContact CE2-CD2 4.01Å; Y134-W349 AromaticContact CE2-CE2 3.69Å; Y134-W349 HydrophobicContact CE2-CG 4.21Å; Y134-W349 HydrophobicContact CE2-CZ2 4.16Å; Y134-W349 AromaticContact CE2-NE1 3.66Å |
| 135 | A | 96.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 114.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | V125 G147 V148 Y441 A444 | V125-A135 HydrophobicContact CG2-CB 3.98Å; A135-G147 WeakPolarHBondContact O-CA 3.43Å; A135-V148 PolarHBondContact N-O 3.34Å; A135-V148 PolarHBondContact O-N 3.05Å; A135-Y441 HydrophobicContact CB-CD2 3.57Å; A135-Y441 HydrophobicContact CB-CE2 3.83Å; A135-A444 HydrophobicContact CB-CB 4.12Å |
| 136 | G | 96.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.6 | -158.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F123 G124 W138 S440 | F123-G136 WeakPolarHBondContact CA-O 3.41Å; G124-G136 PolarHBondContact N-O 2.98Å; G124-G136 VanDerWaalsContact N-O 3.14Å; G124-G136 PolarHBondContact O-N 2.98Å; G136-W138 VanDerWaalsContact O-CD1 3.25Å; G136-S440 WeakPolarHBondContact CA-OG 3.46Å |
| 137 | A | 96 | Very high | 90 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 12% | 0.124 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 147.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G122 F123 Y134 Q144 L146 | G122-A137 CarbonylContact O-C 3.57Å; G122-A137 VanDerWaalsContact O-CA 3.24Å; G122-A137 WeakPolarHBondContact O-CA 3.33Å; F123-A137 HydrophobicContact CD1-CB 4.03Å; F123-A137 HydrophobicContact CE1-CB 3.77Å; F123-A137 HydrophobicContact CZ-CB 4.27Å; Y134-A137 PolarHBondContact OH-N 2.71Å; Y134-A137 PolarHBondContact OH-O 3.05Å; A137-Q144 CarbonylContact C-O 3.56Å; A137-Q144 WeakPolarHBondContact CB-O 3.47Å; A137-Q144 PolarHBondContact O-N 3.38Å; A137-L146 PolarHBondContact N-O 2.8Å; A137-L146 VanDerWaalsContact N-O 3.11Å |
| 138 | W | 93.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 25.8 Ų | 25.8 | 4% | 0.038 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 140.9 | -176.4 | -67.1 | 87.9 | 0 | 0 | 0 | 109.4 | Y111 F120 D121 G122 G124 E126 Y134 G136 M142 R143 | Y111-W138 HydrophobicContact CD2-CZ2 4.19Å; Y111-W138 HydrophobicContact CE2-CD2 4.15Å; Y111-W138 AromaticContact CE2-CE2 3.69Å; Y111-W138 HydrophobicContact CE2-CG 4.39Å; Y111-W138 HydrophobicContact CE2-CZ2 4.01Å; Y111-W138 AromaticContact CE2-NE1 3.69Å; F120-W138 HydrophobicContact CB-CB 4.38Å; F120-W138 HydrophobicContact CB-CD2 4.08Å; F120-W138 HydrophobicContact CB-CE3 3.88Å; F120-W138 HydrophobicContact CB-CG 4.32Å; F120-W138 HydrophobicContact CB-CZ3 4.5Å; F120-W138 HydrophobicContact CD2-CE3 4.03Å; F120-W138 HydrophobicContact CD2-CH2 4.15Å; F120-W138 AromaticContact CD2-CZ3 3.78Å; F120-W138 HydrophobicContact CD2-CZ3 3.78Å; F120-W138 HydrophobicContact CG-CE3 4.48Å; D121-W138 CarbonylContact C-O 3.59Å; G122-W138 PolarHBondContact N-O 3.36Å; G122-W138 PolarHBondContact O-N 3.1Å; G124-W138 PolarHBondContact O-NE1 2.9Å; G124-W138 VanDerWaalsContact O-NE1 3.14Å; E126-W138 HydrophobicContact CB-CH2 4.06Å; E126-W138 HydrophobicContact CB-CZ2 3.68Å; E126-W138 WeakPolarHBondContact OE2-CH2 3.3Å; Y134-W138 AromaticContact CD1-CE2 3.74Å; Y134-W138 HydrophobicContact CD1-CH2 4.29Å; Y134-W138 AromaticContact CD1-CZ2 3.42Å; Y134-W138 HydrophobicContact CD1-CZ2 3.42Å; Y134-W138 VanDerWaalsContact CD1-CZ2 3.42Å; Y134-W138 AromaticContact CD1-NE1 3.85Å; Y134-W138 HydrophobicContact CE1-CD2 4.43Å; Y134-W138 AromaticContact CE1-CE2 3.64Å; Y134-W138 AromaticContact CE1-CZ2 3.79Å; Y134-W138 HydrophobicContact CE1-CZ2 3.79Å; Y134-W138 AromaticContact CE1-NE1 3.56Å; Y134-W138 HydrophobicContact CG-CZ2 4.48Å; G136-W138 VanDerWaalsContact O-CD1 3.25Å; W138-M142 CarbonylContact C-O 3.46Å; W138-M142 WeakPolarHBondContact CA-O 3.4Å; W138-R143 HydrophobicContact CD2-CG 4.45Å; W138-R143 HydrophobicContact CE3-CG 4.12Å; W138-R143 HydrophobicContact CH2-CG 3.67Å; W138-R143 HydrophobicContact CZ2-CG 4.02Å; W138-R143 HydrophobicContact CZ3-CG 3.71Å |
| 139 | S | 90.9 | Very high | 90.6 | Very high | 44 Ų | 44 | 25.8 Ų | 25.8 | 31% | 0.308 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 127.6 | 168.9 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | D121 G141 M142 | D121-S139 WeakPolarHBondContact OD1-CA 3.43Å; S139-G141 PolarHBondContact O-N 3.44Å; S139-G141 VanDerWaalsContact O-N 3.15Å; S139-M142 PolarHBondContact N-O 2.98Å; S139-M142 PolarHBondContact O-N 3.47Å |
| 140 | K | 87.6 | Confident | 91.2 | Very high | 143 Ų | 143 | 32.7 Ų | 32.7 | 62% | 0.622 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 37.7 | 178.4 | -55.4 | 172.4 | -176.5 | 171.3 | 0 | 112.6 | Q119 M142 | Q119-K140 VanDerWaalsContact OE1-C 3.28Å; Q119-K140 VanDerWaalsContact OE1-CA 3.28Å; Q119-K140 PolarHBondContact OE1-O 2.75Å; K140-M142 VanDerWaalsContact C-N 3.32Å; K140-M142 HydrophobicContact CB-CE 4.42Å; K140-M142 PolarHBondContact O-N 3.25Å |
| 141 | G | 86.5 | Confident | 91.8 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 6% | 0.062 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 8.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | F120 S139 S175 | F120-G141 WeakPolarHBondContact O-CA 3.49Å; F120-G141 PolarHBondContact O-N 3.02Å; S139-G141 PolarHBondContact O-N 3.44Å; S139-G141 VanDerWaalsContact O-N 3.15Å; G141-S175 WeakPolarHBondContact CA-OG 3.45Å |
| 142 | M | 87.7 | Confident | 91.9 | Very high | 44 Ų | 44 | 30.5 Ų | 30.5 | 22% | 0.217 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.9 | 179.5 | -64.3 | 177.9 | -77.4 | 0 | 0 | 110.4 | W138 S139 K140 Q144 E351 | W138-M142 CarbonylContact C-O 3.46Å; W138-M142 WeakPolarHBondContact CA-O 3.4Å; S139-M142 PolarHBondContact N-O 2.98Å; S139-M142 PolarHBondContact O-N 3.47Å; K140-M142 VanDerWaalsContact C-N 3.32Å; K140-M142 HydrophobicContact CB-CE 4.42Å; K140-M142 PolarHBondContact O-N 3.25Å; M142-Q144 PolarHBondContact O-N 3.21Å; M142-E351 HydrophobicContact SD-CB 4.22Å |
| 143 | R | 90.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 131.3 | 174.9 | -61.8 | 168.2 | -76 | -161.8 | -6 | 109.9 | Y134 W138 S301 W349 E351 D352 | Y134-R143 HydrophobicContact CD1-CG 3.78Å; Y134-R143 HydrophobicContact CD2-CG 4.18Å; Y134-R143 HydrophobicContact CE1-CB 4.09Å; Y134-R143 HydrophobicContact CE1-CG 3.52Å; Y134-R143 HydrophobicContact CE2-CB 4.08Å; Y134-R143 HydrophobicContact CE2-CG 3.94Å; Y134-R143 HydrophobicContact CG-CG 4.09Å; W138-R143 HydrophobicContact CD2-CG 4.45Å; W138-R143 HydrophobicContact CE3-CG 4.12Å; W138-R143 HydrophobicContact CH2-CG 3.67Å; W138-R143 HydrophobicContact CZ2-CG 4.02Å; W138-R143 HydrophobicContact CZ3-CG 3.71Å; R143-S301 VanDerWaalsContact NH2-CA 3.34Å; R143-S301 PolarHBondContact NH2-O 2.98Å; R143-W349 HydrophobicContact CB-CB 4.45Å; R143-W349 HydrophobicContact CB-CD2 4.44Å; R143-W349 HydrophobicContact CB-CE3 4.21Å; R143-E351 PolarHBondContact O-N 3.12Å; R143-D352 WeakPolarHBondContact CB-OD1 3.35Å; R143-D352 WeakPolarHBondContact CG-OD1 3.2Å; R143-D352 IonicContact CZ-OD1 3.8Å; R143-D352 PolarHBondContact N-OD1 3.45Å; R143-D352 IonicContact NE-OD1 2.85Å; R143-D352 PolarHBondContact NE-OD1 2.95Å; R143-D352 IonicContact NH2-OD1 3.32Å; R143-D352 PolarHBondContact O-N 3.46Å |
| 144 | Q | 92.3 | Very high | 91.1 | Very high | 62 Ų | 62 | 31.5 Ų | 31.5 | 29% | 0.29 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155 | -171.1 | -167.3 | 66.4 | 25.1 | 0 | 0 | 109.9 | A137 M142 W349 N350 | A137-Q144 CarbonylContact C-O 3.56Å; A137-Q144 WeakPolarHBondContact CB-O 3.47Å; A137-Q144 PolarHBondContact O-N 3.38Å; M142-Q144 PolarHBondContact O-N 3.21Å; Q144-W349 CarbonylContact C-O 3.58Å; Q144-W349 WeakPolarHBondContact CA-O 3.12Å; Q144-N350 PolarHBondContact NE2-OD1 3.46Å; Q144-N350 PolarHBondContact OE1-OD1 3.05Å |
| 145 | G | 95.7 | Very high | 90 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 33% | 0.33 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.1 | -144.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q348 W349 | G145-Q348 CarbonylContact O-C 3.52Å; G145-Q348 WeakPolarHBondContact O-CA 3.4Å; G145-W349 PolarHBondContact N-O 3.26Å; G145-W349 WeakPolarHBondContact O-CB 3.43Å; G145-W349 PolarHBondContact O-N 3.03Å |
| 146 | L | 97.2 | Very high | 88.9 | Confident | 30 Ų | 30 | 37.6 Ų | 37.6 | 16% | 0.157 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 147.7 | 179.4 | -65 | 170 | 0 | 0 | 0 | 110.7 | A137 G347 Q348 A432 K435 A436 S440 | A137-L146 PolarHBondContact N-O 2.8Å; A137-L146 VanDerWaalsContact N-O 3.11Å; L146-G347 CarbonylContact C-O 3.36Å; L146-G347 WeakPolarHBondContact CA-O 3.38Å; L146-Q348 HydrophobicContact CD2-CG 3.6Å; L146-A432 HydrophobicContact CD2-CB 4.41Å; L146-K435 HydrophobicContact CD1-CB 4.02Å; L146-K435 HydrophobicContact CD1-CD 3.52Å; L146-K435 HydrophobicContact CD1-CG 3.55Å; L146-A436 HydrophobicContact CB-CB 4.2Å; L146-A436 HydrophobicContact CD2-CB 4.41Å; L146-S440 PolarHBondContact O-OG 3.24Å |
| 147 | G | 96.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.7 | 154.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A135 G347 W349 | A135-G147 WeakPolarHBondContact O-CA 3.43Å; G147-G347 PolarHBondContact N-O 3.02Å; G147-G347 PolarHBondContact O-N 2.84Å; G147-G347 VanDerWaalsContact O-N 3.16Å; G147-W349 PolarHBondContact O-NE1 3.44Å |
| 148 | V | 96.1 | Very high | 86 | Confident | 17 Ų | 17 | 38 Ų | 38 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.3 | 175.8 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | Y134 A135 T344 Y345 A436 Q437 Y441 | Y134-V148 CarbonylContact C-O 3.53Å; Y134-V148 WeakPolarHBondContact CA-O 3.4Å; A135-V148 PolarHBondContact N-O 3.34Å; A135-V148 PolarHBondContact O-N 3.05Å; V148-T344 HydrophobicContact CG1-CG2 4.1Å; V148-Y345 CarbonylContact C-O 3.48Å; V148-Y345 WeakPolarHBondContact CA-O 3.46Å; V148-A436 HydrophobicContact CG2-CB 4.06Å; V148-Q437 HydrophobicContact CG2-CB 4.42Å; V148-Q437 HydrophobicContact CG2-CG 3.82Å; V148-Y441 HydrophobicContact CB-CD2 4.19Å; V148-Y441 HydrophobicContact CG2-CD2 4.45Å |
| 149 | R | 93.5 | Very high | 84.6 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.6 | 178.4 | 178.3 | -161.6 | 147.7 | 120.9 | -4.4 | 109.4 | I133 Y134 S304 T305 T344 Y345 W349 | I133-R149 CarbonylContact O-C 3.53Å; I133-R149 VanDerWaalsContact O-CA 3.25Å; I133-R149 WeakPolarHBondContact O-CA 3.39Å; Y134-R149 HydrophobicContact CD2-CB 4.16Å; R149-S304 VanDerWaalsContact NH1-C 3.26Å; R149-S304 PolarHBondContact NH1-O 3.17Å; R149-S304 PolarHBondContact NH2-O 3.2Å; R149-T305 VanDerWaalsContact NH2-C 3.26Å; R149-T305 PolarHBondContact NH2-O 3.17Å; R149-T344 CarbonylContact O-C 3.54Å; R149-T344 WeakPolarHBondContact O-CA 3.44Å; R149-Y345 PolarHBondContact N-O 3.01Å; R149-Y345 PolarHBondContact O-N 2.83Å; R149-W349 HydrophobicContact CB-CH2 4.35Å; R149-W349 HydrophobicContact CB-CZ2 3.75Å; R149-W349 HydrophobicContact CG-CZ2 4.38Å |
| 150 | R | 92.2 | Very high | 83 | Confident | 152 Ų | 152 | 42.9 Ų | 42.9 | 57% | 0.574 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.2 | 171.5 | -171.4 | 178.9 | -62.8 | -156.6 | 1.4 | 109.6 | S132 I133 E343 | S132-R150 CarbonylContact C-O 3.5Å; S132-R150 WeakPolarHBondContact CA-O 3.44Å; S132-R150 WeakPolarHBondContact CB-O 3.41Å; I133-R150 PolarHBondContact N-O 3.41Å; I133-R150 PolarHBondContact O-N 3Å; R150-E343 CarbonylContact C-O 3.45Å |
| 151 | S | 87.4 | Confident | 81.6 | Confident | 7 Ų | 7 | 38 Ų | 38 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 159.1 | 175.6 | 79.2 | 0 | 0 | 0 | 0 | 111.1 | E343 | S151-E343 PolarHBondContact N-O 3.24Å; S151-E343 PolarHBondContact OG-N 3.38Å |
| 152 | A | 82.8 | Confident | 79.9 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 156 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | D130 A157 | D130-A152 HydrophobicContact CB-CB 4.39Å; D130-A152 WeakPolarHBondContact O-CB 3.47Å; A152-A157 HydrophobicContact CB-CB 4.35Å |
| 153 | P | 84.7 | Confident | 78 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -52.1 | 140.6 | 168.6 | -27.5 | 35.6 | 0 | 0 | 0 | 111.5 | A155 L156 A157 T342 | P153-A155 VanDerWaalsContact C-N 3.27Å; P153-A155 PolarHBondContact O-N 3.44Å; P153-L156 HydrophobicContact CB-CD1 4.37Å; P153-L156 HydrophobicContact CG-CD1 4.06Å; P153-L156 PolarHBondContact O-N 3.3Å; P153-L156 VanDerWaalsContact O-N 3.09Å; P153-A157 PolarHBondContact O-N 3.03Å; P153-T342 HydrophobicContact CB-CG2 4.23Å; P153-T342 HydrophobicContact CG-CG2 3.93Å |
| 154 | Y | 74.5 | Confident | 75.9 | Confident | 50 Ų | 50 | 48.9 Ų | 48.9 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.4 | -39.4 | -173.1 | -173.3 | -104.2 | 0 | 0 | 0 | 113.3 | A157 A158 Q308 L337 P339 V341 | Y154-A157 PolarHBondContact O-N 3.02Å; Y154-A158 WeakPolarHBondContact O-CB 3.45Å; Y154-A158 PolarHBondContact O-N 3.24Å; Y154-Q308 HydrophobicContact CE2-CG 4.03Å; Y154-Q308 PolarHBondContact OH-NE2 3.17Å; Y154-L337 HydrophobicContact CD1-CB 3.71Å; Y154-L337 HydrophobicContact CD2-CB 4.34Å; Y154-L337 HydrophobicContact CD2-CD1 3.74Å; Y154-L337 HydrophobicContact CE1-CB 3.94Å; Y154-L337 HydrophobicContact CE1-CD1 4.41Å; Y154-L337 HydrophobicContact CE2-CD1 3.63Å; Y154-L337 HydrophobicContact CG-CB 3.93Å; Y154-L337 HydrophobicContact CG-CD1 4.19Å; Y154-P339 PolarHBondContact N-O 3.24Å; Y154-V341 PolarHBondContact N-O 2.98Å |
| 155 | A | 72.3 | Confident | 73.4 | Confident | 34 Ų | 34 | 55.2 Ų | 55.2 | 28% | 0.281 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P153 A158 E159 P339 | P153-A155 VanDerWaalsContact C-N 3.27Å; P153-A155 PolarHBondContact O-N 3.44Å; A155-A158 PolarHBondContact O-N 3.43Å; A155-E159 PolarHBondContact O-N 3.23Å; A155-P339 HydrophobicContact CB-CB 3.54Å; A155-P339 VanDerWaalsContact CB-O 3.25Å; A155-P339 WeakPolarHBondContact CB-O 3.41Å; A155-P339 PolarHBondContact N-O 3.23Å |
| 156 | L | 73.2 | Confident | 70.5 | Confident | 97 Ų | 97 | 58 Ų | 58 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 177.6 | -70.5 | 176.1 | 0 | 0 | 0 | 111.1 | P153 A158 E159 F160 | P153-L156 HydrophobicContact CB-CD1 4.37Å; P153-L156 HydrophobicContact CG-CD1 4.06Å; P153-L156 PolarHBondContact O-N 3.3Å; P153-L156 VanDerWaalsContact O-N 3.09Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 3.45Å; L156-E159 PolarHBondContact O-N 3.44Å; L156-F160 WeakPolarHBondContact O-CB 3.14Å; L156-F160 PolarHBondContact O-N 3.27Å |
| 157 | A | 67.3 | Low | 67.6 | Low | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A152 P153 Y154 N161 | A152-A157 HydrophobicContact CB-CB 4.35Å; P153-A157 PolarHBondContact O-N 3.03Å; Y154-A157 PolarHBondContact O-N 3.02Å; A157-N161 VanDerWaalsContact O-CB 3.3Å; A157-N161 WeakPolarHBondContact O-CB 3.38Å; A157-N161 PolarHBondContact O-N 3.35Å; A157-N161 PolarHBondContact O-ND2 3.44Å |
| 158 | A | 64.2 | Low | 64.4 | Low | 24 Ų | 24 | 68.1 Ų | 68.1 | 20% | 0.198 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y154 A155 L156 R162 | Y154-A158 WeakPolarHBondContact O-CB 3.45Å; Y154-A158 PolarHBondContact O-N 3.24Å; A155-A158 PolarHBondContact O-N 3.43Å; L156-A158 VanDerWaalsContact C-N 3.34Å; L156-A158 PolarHBondContact O-N 3.45Å; A158-R162 WeakPolarHBondContact O-CG 3.42Å; A158-R162 PolarHBondContact O-N 3.26Å |
| 159 | E | 63.9 | Low | 61.7 | Low | 109 Ų | 109 | 70.6 Ų | 70.6 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 172.8 | -77.9 | -176 | -179.3 | 0 | 0 | 112 | A155 L156 N161 R162 T163 | A155-E159 PolarHBondContact O-N 3.23Å; L156-E159 PolarHBondContact O-N 3.44Å; E159-N161 VanDerWaalsContact C-N 3.32Å; E159-N161 PolarHBondContact O-N 3.24Å; E159-R162 WeakPolarHBondContact O-CB 3.39Å; E159-R162 PolarHBondContact O-N 3.34Å; E159-R162 VanDerWaalsContact O-N 3.07Å; E159-T163 PolarHBondContact O-N 3.18Å; E159-T163 VanDerWaalsContact O-N 3.11Å; E159-T163 PolarHBondContact O-OG1 3.05Å |
| 160 | F | 58 | Low | 59.5 | Low | 47 Ų | 47 | 72.6 Ų | 72.6 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 179.3 | -165.8 | -94.5 | 0 | 0 | 0 | 112.1 | S129 D130 L156 R162 T163 V164 | S129-F160 VanDerWaalsContact CB-CZ 3.41Å; S129-F160 WeakPolarHBondContact O-CE2 3.48Å; S129-F160 WeakPolarHBondContact O-CZ 3.05Å; S129-F160 WeakPolarHBondContact OG-CE1 3.5Å; S129-F160 WeakPolarHBondContact OG-CZ 3.29Å; D130-F160 HydrophobicContact CB-CB 4.27Å; D130-F160 HydrophobicContact CB-CD1 3.66Å; D130-F160 HydrophobicContact CB-CE1 4.15Å; D130-F160 HydrophobicContact CB-CG 3.9Å; L156-F160 WeakPolarHBondContact O-CB 3.14Å; L156-F160 PolarHBondContact O-N 3.27Å; F160-R162 VanDerWaalsContact C-N 3.28Å; F160-R162 PolarHBondContact O-N 3.05Å; F160-T163 WeakPolarHBondContact CA-OG1 3.5Å; F160-T163 PolarHBondContact O-N 3.41Å; F160-T163 PolarHBondContact O-OG1 2.99Å; F160-V164 HydrophobicContact CD1-CB 4.3Å; F160-V164 HydrophobicContact CD1-CG2 3.67Å; F160-V164 HydrophobicContact CD2-CG2 4.37Å; F160-V164 HydrophobicContact CE1-CB 3.99Å; F160-V164 HydrophobicContact CE1-CG1 4.5Å; F160-V164 HydrophobicContact CE1-CG2 3.13Å; F160-V164 HydrophobicContact CE2-CG2 3.89Å; F160-V164 HydrophobicContact CG-CG2 4.25Å; F160-V164 HydrophobicContact CZ-CB 4.48Å; F160-V164 HydrophobicContact CZ-CG2 3.21Å; F160-V164 WeakPolarHBondContact O-CB 3.5Å; F160-V164 WeakPolarHBondContact O-CG2 3.39Å; F160-V164 PolarHBondContact O-N 3.38Å |
| 161 | N | 57.4 | Low | 57.4 | Low | 39 Ų | 39 | 66 Ų | 66 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -31.3 | 174.8 | -78.9 | -45.4 | 0 | 0 | 0 | 112.4 | A157 E159 R165 | A157-N161 VanDerWaalsContact O-CB 3.3Å; A157-N161 WeakPolarHBondContact O-CB 3.38Å; A157-N161 PolarHBondContact O-N 3.35Å; A157-N161 PolarHBondContact O-ND2 3.44Å; E159-N161 VanDerWaalsContact C-N 3.32Å; E159-N161 PolarHBondContact O-N 3.24Å; N161-R165 WeakPolarHBondContact O-CB 3.4Å; N161-R165 WeakPolarHBondContact O-CG 3.24Å; N161-R165 PolarHBondContact O-N 3.4Å |
| 162 | R | 50.6 | Low | 55.9 | Low | 165 Ų | 165 | 65.7 Ų | 65.7 | 62% | 0.623 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68.6 | -44 | 173.8 | -71.6 | -173.5 | -72.5 | -106.4 | 7.4 | 111.2 | A158 E159 F160 | A158-R162 WeakPolarHBondContact O-CG 3.42Å; A158-R162 PolarHBondContact O-N 3.26Å; E159-R162 WeakPolarHBondContact O-CB 3.39Å; E159-R162 PolarHBondContact O-N 3.34Å; E159-R162 VanDerWaalsContact O-N 3.07Å; F160-R162 VanDerWaalsContact C-N 3.28Å; F160-R162 PolarHBondContact O-N 3.05Å |
| 163 | T | 48.1 | Very low | 54.8 | Low | 88 Ų | 88 | 65.9 Ų | 65.9 | 54% | 0.54 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.2 | -38.6 | -179.5 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | E159 F160 A166 A167 | E159-T163 PolarHBondContact O-N 3.18Å; E159-T163 VanDerWaalsContact O-N 3.11Å; E159-T163 PolarHBondContact O-OG1 3.05Å; F160-T163 WeakPolarHBondContact CA-OG1 3.5Å; F160-T163 PolarHBondContact O-N 3.41Å; F160-T163 PolarHBondContact O-OG1 2.99Å; T163-A166 WeakPolarHBondContact O-CB 3.29Å; T163-A166 PolarHBondContact O-N 3.37Å; T163-A167 PolarHBondContact O-N 2.75Å |
| 164 | V | 46.2 | Very low | 53.7 | Low | 26 Ų | 26 | 64.9 Ų | 64.9 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -82.9 | -27 | 179.9 | 177.5 | 0 | 0 | 0 | 0 | 113.8 | F160 A166 A167 Q168 N171 | F160-V164 HydrophobicContact CD1-CB 4.3Å; F160-V164 HydrophobicContact CD1-CG2 3.67Å; F160-V164 HydrophobicContact CD2-CG2 4.37Å; F160-V164 HydrophobicContact CE1-CB 3.99Å; F160-V164 HydrophobicContact CE1-CG1 4.5Å; F160-V164 HydrophobicContact CE1-CG2 3.13Å; F160-V164 HydrophobicContact CE2-CG2 3.89Å; F160-V164 HydrophobicContact CG-CG2 4.25Å; F160-V164 HydrophobicContact CZ-CB 4.48Å; F160-V164 HydrophobicContact CZ-CG2 3.21Å; F160-V164 WeakPolarHBondContact O-CB 3.5Å; F160-V164 WeakPolarHBondContact O-CG2 3.39Å; F160-V164 PolarHBondContact O-N 3.38Å; V164-A166 PolarHBondContact O-N 3.08Å; V164-A167 CarbonylContact O-C 3.58Å; V164-A167 WeakPolarHBondContact O-CA 3.32Å; V164-A167 PolarHBondContact O-N 3Å; V164-Q168 PolarHBondContact O-N 2.94Å; V164-N171 WeakPolarHBondContact CG1-OD1 3.21Å |
| 165 | R | 40.8 | Very low | 52.8 | Low | 195 Ų | 195 | 62.6 Ų | 62.6 | 74% | 0.736 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.5 | -29.7 | 167.4 | -78.8 | -177.3 | -175.7 | -171.8 | 5.1 | 111.9 | N161 A167 | N161-R165 WeakPolarHBondContact O-CB 3.4Å; N161-R165 WeakPolarHBondContact O-CG 3.24Å; N161-R165 PolarHBondContact O-N 3.4Å; R165-A167 VanDerWaalsContact C-N 3.28Å |
| 166 | A | 34.2 | Very low | 51.9 | Low | 92 Ų | 92 | 61.6 Ų | 61.6 | 76% | 0.76 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.3 | -25.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T163 V164 | T163-A166 WeakPolarHBondContact O-CB 3.29Å; T163-A166 PolarHBondContact O-N 3.37Å; V164-A166 PolarHBondContact O-N 3.08Å |
| 167 | A | 36.3 | Very low | 50.9 | Low | 60 Ų | 60 | 57.7 Ų | 57.7 | 50% | 0.496 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -120.9 | 71.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | T163 V164 R165 S169 | T163-A167 PolarHBondContact O-N 2.75Å; V164-A167 CarbonylContact O-C 3.58Å; V164-A167 WeakPolarHBondContact O-CA 3.32Å; V164-A167 PolarHBondContact O-N 3Å; R165-A167 VanDerWaalsContact C-N 3.28Å; A167-S169 PolarHBondContact O-N 3.43Å |
| 168 | Q | 29.5 | Very low | 49.7 | Very low | 181 Ų | 181 | 62.5 Ų | 62.5 | 85% | 0.846 | 33% | 0.334 | S | S | * | . | trans | -48.7 | 36 | -168.5 | -62.9 | -177.7 | -24.3 | 0 | 0 | 120.1 | V164 | V164-Q168 PolarHBondContact O-N 2.94Š| ||
| 169 | S | 37.8 | Very low | 48.4 | Very low | 69 Ų | 69 | 63.8 Ų | 63.8 | 48% | 0.483 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -155.7 | 119.7 | -178.5 | 70.3 | 0 | 0 | 0 | 0 | 114.3 | A167 | A167-S169 PolarHBondContact O-N 3.43Š|
| 170 | Q | 47.4 | Very low | 47 | Very low | 44 Ų | 44 | 65.4 Ų | 65.4 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | trans | 81.1 | 82.6 | 155.3 | -41.8 | -51.9 | -69.3 | 0 | 0 | 116 | S172 P174 L299 | Q170-S172 VanDerWaalsContact C-N 3.32Å; Q170-P174 HydrophobicContact CG-CG 4.34Å; Q170-L299 VanDerWaalsContact NE2-CD2 3.35Å | ||
| 171 | N | 49.3 | Very low | 45.7 | Very low | 13 Ų | 13 | 74.8 Ų | 74.8 | 7% | 0.07 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -69.9 | -36.2 | 161.3 | -70.3 | 17.2 | 0 | 0 | 0 | 110.5 | S129 V164 N302 | S129-N171 WeakPolarHBondContact CB-O 3.4Å; S129-N171 PolarHBondContact N-O 2.84Å; S129-N171 WeakPolarHBondContact OG-CA 3.4Å; S129-N171 PolarHBondContact OG-O 3.12Å; V164-N171 WeakPolarHBondContact CG1-OD1 3.21Å; N171-N302 WeakPolarHBondContact CB-OD1 3.25Å; N171-N302 PolarHBondContact N-OD1 3.38Å |
| 172 | S | 55.1 | Low | 44.3 | Very low | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.014 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -97.1 | 157.5 | 177 | 65.6 | 0 | 0 | 0 | 0 | 112.1 | E126 N128 Q170 S301 N302 | E126-S172 WeakPolarHBondContact OE1-CB 3.26Å; N128-S172 WeakPolarHBondContact OD1-CA 3.45Å; N128-S172 WeakPolarHBondContact OD1-CB 3.49Å; Q170-S172 VanDerWaalsContact C-N 3.32Å; S172-S301 WeakPolarHBondContact CB-OG 3.27Å; S172-S301 WeakPolarHBondContact OG-CB 3.35Å; S172-S301 PolarHBondContact OG-OG 3.45Å; S172-N302 PolarHBondContact N-OD1 3.01Å |
| 173 | L | 59.8 | Low | 43.2 | Very low | 5 Ų | 5 | 75.8 Ų | 75.8 | 3% | 0.026 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 129.8 | 169.7 | -63.2 | -174.7 | 0 | 0 | 0 | 110.4 | W85 K102 A109 K110 Y111 F120 E126 S175 | W85-L173 HydrophobicContact CD2-CD2 4.17Å; W85-L173 HydrophobicContact CE3-CD2 3.19Å; W85-L173 HydrophobicContact CH2-CD2 3.57Å; W85-L173 HydrophobicContact CZ2-CD2 4.43Å; W85-L173 HydrophobicContact CZ3-CD2 2.87Å; W85-L173 HydrophobicContact CZ3-CG 4.35Å; K102-L173 HydrophobicContact CB-CD1 4.27Å; K102-L173 HydrophobicContact CG-CD1 4.09Å; K102-L173 VanDerWaalsContact O-CD1 3.24Å; K102-L173 WeakPolarHBondContact O-CD1 3.2Å; A109-L173 HydrophobicContact CB-CD2 3.53Å; A109-L173 HydrophobicContact CB-CG 3.98Å; K110-L173 VanDerWaalsContact C-CD1 3.43Å; Y111-L173 VanDerWaalsContact N-CD1 3.31Å; F120-L173 HydrophobicContact CE2-CB 4.22Å; F120-L173 HydrophobicContact CZ-CB 3.9Å; F120-L173 HydrophobicContact CZ-CD1 4.4Å; E126-L173 PolarHBondContact OE1-N 2.99Å; L173-S175 PolarHBondContact O-N 3.41Å |
| 174 | P | 61.9 | Low | 42.2 | Very low | 22 Ų | 22 | 81 Ų | 81 | 14% | 0.143 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 126.4 | 166.7 | -17.5 | 28.2 | 0 | 0 | 0 | 108.7 | W85 K102 Q170 G176 | W85-P174 HydrophobicContact CZ2-CG 4.36Å; K102-P174 PolarHBondContact NZ-O 3.19Å; Q170-P174 HydrophobicContact CG-CG 4.34Å; P174-G176 VanDerWaalsContact C-N 3.26Å; P174-G176 PolarHBondContact O-N 2.86Å |
| 175 | S | 54.7 | Low | 41.2 | Very low | 1 Ų | 1 | 82.5 Ų | 82.5 | 1% | 0.007 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -59.5 | -41 | -179.8 | 74.7 | 0 | 0 | 0 | 0 | 111.7 | N118 G141 L173 G296 | N118-S175 VanDerWaalsContact O-O 3.05Å; G141-S175 WeakPolarHBondContact CA-OG 3.45Å; L173-S175 PolarHBondContact O-N 3.41Å; S175-G296 PolarHBondContact OG-O 3.34Å |
| 176 | G | 55.1 | Low | 40.4 | Very low | 13 Ų | 13 | 79 Ų | 79 | 13% | 0.134 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -70.5 | 150.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K102 P174 D178 | K102-G176 PolarHBondContact NZ-O 3.14Å; K102-G176 VanDerWaalsContact NZ-O 3.11Å; P174-G176 VanDerWaalsContact C-N 3.26Å; P174-G176 PolarHBondContact O-N 2.86Å; G176-D178 VanDerWaalsContact C-N 3.28Å |
| 177 | T | 50.5 | Low | 40 | Very low | 15 Ų | 15 | 82.1 Ų | 82.1 | 9% | 0.092 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -82.7 | -4.3 | 171 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | K82 N118 S179 | K82-T177 VanDerWaalsContact CD-O 3.29Å; K82-T177 WeakPolarHBondContact CD-O 3.4Å; K82-T177 WeakPolarHBondContact CE-O 3.36Å; K82-T177 PolarHBondContact NZ-O 3.49Å; N118-T177 HydrophobicContact CB-CG2 4.11Å; N118-T177 PolarHBondContact ND2-OG1 2.87Å; T177-S179 VanDerWaalsContact C-N 3.26Å; T177-S179 PolarHBondContact O-N 2.82Å |
| 178 | D | 43.3 | Very low | 39.5 | Very low | 103 Ų | 103 | 85.1 Ų | 85.1 | 55% | 0.551 | 45% | 0.453 | S | S | * | . | trans | -79.7 | 26.4 | -169 | -68.5 | -10.7 | 0 | 0 | 0 | 115.7 | G176 E180 | G176-D178 VanDerWaalsContact C-N 3.28Å; D178-E180 PolarHBondContact O-N 2.87Å | ||
| 179 | S | 37.5 | Very low | 39.2 | Very low | 50 Ų | 50 | 82.6 Ų | 82.6 | 35% | 0.35 | 46% | 0.456 | S | S | . | . | trans | -74.5 | 73.3 | 170.1 | 65 | 0 | 0 | 0 | 0 | 110.4 | T177 R181 | T177-S179 VanDerWaalsContact C-N 3.26Å; T177-S179 PolarHBondContact O-N 2.82Å; S179-R181 PolarHBondContact O-N 2.86Å | ||
| 180 | E | 33.2 | Very low | 38.5 | Very low | 143 Ų | 143 | 83 Ų | 83 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | trans | -67.5 | 13.6 | 172 | -75 | -173.6 | 165.7 | 0 | 0 | 113.7 | D178 G182 | D178-E180 PolarHBondContact O-N 2.87Å; E180-G182 PolarHBondContact O-N 2.97Å | ||
| 181 | R | 31.8 | Very low | 37.3 | Very low | 244 Ų | 244 | 85.2 Ų | 85.2 | 92% | 0.921 | 51% | 0.506 | S | S | * | . | trans | -73.5 | 63.3 | 162.8 | -94.2 | -171.4 | -94.2 | -146.8 | -3.2 | 109.3 | S179 | S179-R181 PolarHBondContact O-N 2.86Š| ||
| 182 | G | 28.1 | Very low | 36 | Very low | 39 Ų | 39 | 87.6 Ų | 87.6 | 40% | 0.402 | 53% | 0.534 | S | S | . | . | trans | -59.6 | 140.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | E180 K184 | E180-G182 PolarHBondContact O-N 2.97Å; G182-K184 PolarHBondContact O-N 3.09Å | ||
| 183 | W | 25.8 | Very low | 34.4 | Very low | 186 Ų | 186 | 93.7 Ų | 93.7 | 71% | 0.705 | 58% | 0.576 | S | S | * | * | trans | -58.6 | 113.1 | 176 | -127 | 66.5 | 0 | 0 | 0 | 109 | G185 P495 | W183-G185 PolarHBondContact O-N 2.94Å; W183-P495 HydrophobicContact CH2-CG 4.11Å; W183-P495 HydrophobicContact CZ2-CG 3.95Å; W183-P495 HydrophobicContact CZ3-CG 4.49Å | ||
| 184 | K | 27.2 | Very low | 32.6 | Very low | 197 Ų | 197 | 96.9 Ų | 96.9 | 86% | 0.857 | 61% | 0.61 | S | S | * | * | trans | -87.5 | 99.7 | 166 | -79.1 | -161.1 | 175.6 | -167.7 | 0 | 107.8 | G182 T186 | G182-K184 PolarHBondContact O-N 3.09Å; K184-T186 PolarHBondContact O-N 3.35Å | ||
| 185 | G | 26.5 | Very low | 30.7 | Very low | 59 Ų | 59 | 99.5 Ų | 99.5 | 61% | 0.608 | 64% | 0.641 | S | S | * | * | trans | -56.7 | 126.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | W183 N187 | W183-G185 PolarHBondContact O-N 2.94Å; G185-N187 PolarHBondContact O-N 3.46Å | ||
| 186 | T | 23.7 | Very low | 29.2 | Very low | 120 Ų | 120 | 107.3 Ų | 107.3 | 74% | 0.736 | 68% | 0.683 | S | S | * | * | trans | -70.6 | 111.2 | 173.5 | 51.4 | 0 | 0 | 0 | 0 | 107.7 | K184 | K184-T186 PolarHBondContact O-N 3.35Š| ||
| 187 | N | 24.6 | Very low | 27.8 | Very low | 158 Ų | 158 | 113.7 Ų | 113.7 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | trans | -174.9 | 150.4 | 154.8 | -91.1 | -10.9 | 0 | 0 | 0 | 111.1 | G185 | G185-N187 PolarHBondContact O-N 3.46Š| ||
| 188 | S | 26.9 | Very low | 26.4 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | trans | 89.7 | 88.4 | 176.7 | 72.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 189 | S | 23.1 | Very low | 25.5 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | trans | -68.5 | 129 | 154 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 190 | G | 23.9 | Very low | 24.9 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -174.3 | 88.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 191 | G | 20.7 | Very low | 24.6 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 94% | 0.938 | 81% | 0.805 | S | S | * | * | trans | -77.2 | 140.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 192 | G | 22.2 | Very low | 24.3 | Very low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | -167.3 | 129.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 193 | S | 22.5 | Very low | 24.2 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -31.6 | 138.4 | 178.4 | -144.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 194 | G | 21 | Very low | 24.2 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | cis | 102.2 | 81 | 44.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 195 | G | 21.9 | Very low | 24.3 | Very low | 77 Ų | 77 | 127.8 Ų | 127.8 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -165.2 | 117.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 196 | D | 23.2 | Very low | 24.7 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -69 | 129.2 | -173.9 | -66.3 | -55.1 | 0 | 0 | 0 | 114.4 | ||||
| 197 | V | 26.5 | Very low | 25.3 | Very low | 148 Ų | 148 | 126.3 Ų | 126.3 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -145.9 | 134.9 | 154.5 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 198 | R | 21.1 | Very low | 25.8 | Very low | 237 Ų | 237 | 124 Ų | 124 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | trans | -77.5 | 150.3 | -170.2 | -69.4 | 169.9 | 170.1 | 170.1 | -4.1 | 114.8 | ||||
| 199 | N | 24.3 | Very low | 26 | Very low | 163 Ų | 163 | 122.8 Ų | 122.8 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | trans | -18.7 | 123.6 | 164.8 | -66.3 | -29.5 | 0 | 0 | 0 | 118.4 | ||||
| 200 | S | 25.2 | Very low | 27.2 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | trans | -138.8 | 120.8 | 143.7 | -89.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 201 | A | 27.1 | Very low | 28 | Very low | 96 Ų | 96 | 120.1 Ų | 120.1 | 79% | 0.793 | 71% | 0.705 | S | S | * | * | trans | -101.4 | 93 | -173 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 202 | E | 24.6 | Very low | 29.5 | Very low | 189 Ų | 189 | 117.6 Ų | 117.6 | 88% | 0.883 | 68% | 0.679 | S | S | * | * | trans | -129.8 | 93.4 | 162.7 | -85.6 | -174.2 | 151.2 | 0 | 0 | 108.8 | G204 | E202-G204 PolarHBondContact O-N 3.01Š| ||
| 203 | R | 26 | Very low | 31.4 | Very low | 255 Ų | 255 | 119 Ų | 119 | 96% | 0.962 | 67% | 0.667 | S | S | * | * | trans | -93.3 | 85.5 | -179.1 | -66.8 | -174.2 | -168.2 | -175.4 | 3.9 | 110.4 | ||||
| 204 | G | 25.9 | Very low | 34 | Very low | 53 Ų | 53 | 115.2 Ų | 115.2 | 55% | 0.546 | 64% | 0.639 | S | S | . | * | trans | -87.4 | 142.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E202 | E202-G204 PolarHBondContact O-N 3.01Š| ||
| 205 | R | 29.1 | Very low | 36.5 | Very low | 151 Ų | 151 | 112.1 Ų | 112.1 | 57% | 0.57 | 61% | 0.605 | S | S | * | * | trans | -63.2 | 134.7 | 179.9 | -68.2 | 178.2 | 174 | -175.2 | -6 | 111.3 | R293 | R205-R293 VanDerWaalsContact CZ-NH2 3.32Å; R205-R293 VanDerWaalsContact NE-NH1 3.15Å | ||
| 206 | P | 35.1 | Very low | 39.2 | Very low | 69 Ų | 69 | 113.9 Ų | 113.9 | 45% | 0.448 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -75.7 | -27.8 | -170.4 | -17.5 | 31.4 | 0 | 0 | 0 | 116.1 | E208 R209 | P206-E208 PolarHBondContact O-N 2.95Å; P206-E208 VanDerWaalsContact O-N 3.1Å; P206-R209 PolarHBondContact O-N 3.06Å |
| 207 | D | 35.6 | Very low | 41.2 | Very low | 78 Ų | 78 | 107.5 Ų | 107.5 | 42% | 0.417 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -66.3 | -15.8 | -172.9 | -93 | -1.7 | 0 | 0 | 0 | 113.9 | ||
| 208 | E | 35.5 | Very low | 42.6 | Very low | 110 Ų | 110 | 105 Ų | 105 | 51% | 0.514 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -80.9 | -16.4 | -178.5 | -151.7 | 96.9 | -139.6 | 0 | 0 | 113.5 | P206 R210 | P206-E208 PolarHBondContact O-N 2.95Å; P206-E208 VanDerWaalsContact O-N 3.1Å; E208-R210 PolarHBondContact O-N 3.45Å |
| 209 | R | 32.3 | Very low | 43.8 | Very low | 98 Ų | 98 | 98.8 Ų | 98.8 | 37% | 0.37 | 54% | 0.536 | S | S | . | . | trans | -83.1 | -6.2 | -160.4 | -67.1 | -166.9 | 174.9 | -148.9 | -8.6 | 116.3 | P206 S211 D266 | P206-R209 PolarHBondContact O-N 3.06Å; R209-S211 PolarHBondContact O-N 3.3Å; R209-D266 WeakPolarHBondContact CD-O 3.44Å; R209-D266 IonicContact CZ-OD2 3.7Å; R209-D266 PolarHBondContact NH1-O 2.74Å; R209-D266 IonicContact NH1-OD2 2.93Å; R209-D266 PolarHBondContact NH1-OD2 3Å | ||
| 210 | R | 46.9 | Very low | 44.2 | Very low | 66 Ų | 66 | 94.6 Ų | 94.6 | 25% | 0.249 | 52% | 0.518 | C | S | . | . | trans | -82 | 73.6 | 171.4 | -138.8 | 168.6 | -173.5 | -92.6 | -2.7 | 108.9 | E52 G72 K73 E208 | E52-R210 IonicContact OE1-CZ 2.93Å; E52-R210 VanDerWaalsContact OE1-CZ 3.25Å; E52-R210 IonicContact OE1-NH1 3.15Å; E52-R210 PolarHBondContact OE1-NH1 3.08Å; E52-R210 IonicContact OE1-NH2 3.46Å; E52-R210 PolarHBondContact OE1-NH2 2.99Å; G72-R210 PolarHBondContact O-NH1 2.79Å; K73-R210 WeakPolarHBondContact CE-O 3.46Å; K73-R210 WeakPolarHBondContact CG-O 3.27Å; E208-R210 PolarHBondContact O-N 3.45Å | ||
| 211 | S | 41.5 | Very low | 44.6 | Very low | 84 Ų | 84 | 94.3 Ų | 94.3 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | trans | -70.5 | 124.1 | 169.5 | -77.4 | 0 | 0 | 0 | 0 | 108.2 | R209 F213 | R209-S211 PolarHBondContact O-N 3.3Å; S211-F213 PolarHBondContact O-N 3.09Å | ||
| 212 | G | 51.3 | Low | 44.8 | Very low | 37 Ų | 37 | 94.3 Ų | 94.3 | 38% | 0.381 | 50% | 0.499 | S | S | . | . | trans | -52.2 | 104.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K71 | K71-G212 WeakPolarHBondContact O-CA 3.47Å; K71-G212 PolarHBondContact O-N 3.16Å | ||
| 213 | F | 62.2 | Low | 45 | Very low | 93 Ų | 93 | 91 Ų | 91 | 41% | 0.408 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -102.8 | 155 | 173.2 | 66.9 | -81.5 | 0 | 0 | 0 | 109 | F51 S211 L215 | F51-F213 VanDerWaalsContact CD1-O 3.32Å; F51-F213 WeakPolarHBondContact CD1-O 3.4Å; F51-F213 WeakPolarHBondContact CE1-O 3.37Å; S211-F213 PolarHBondContact O-N 3.09Å; F213-L215 HydrophobicContact CD2-CD2 4.13Å; F213-L215 HydrophobicContact CD2-CG 4.48Å; F213-L215 HydrophobicContact CE2-CD2 3.44Å; F213-L215 VanDerWaalsContact CE2-CD2 3.44Å; F213-L215 HydrophobicContact CE2-CG 3.91Å; F213-L215 HydrophobicContact CZ-CD2 4.38Å |
| 214 | V | 76.9 | Confident | 45.2 | Very low | 50 Ų | 50 | 83.6 Ų | 83.6 | 30% | 0.303 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 119.6 | 177.9 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | R27 F51 R216 | R27-V214 HydrophobicContact CG-CG1 4.26Å; F51-V214 HydrophobicContact CD1-CG2 4.5Å; F51-V214 HydrophobicContact CD2-CG2 4.37Å; F51-V214 HydrophobicContact CE1-CG2 3.7Å; F51-V214 HydrophobicContact CE2-CG2 3.55Å; F51-V214 HydrophobicContact CZ-CB 4.4Å; F51-V214 HydrophobicContact CZ-CG2 3.17Å; V214-R216 HydrophobicContact CG1-CG 4.08Å; V214-R216 PolarHBondContact O-N 3.35Å |
| 215 | L | 74.7 | Confident | 45.3 | Very low | 7 Ų | 7 | 86.4 Ų | 86.4 | 4% | 0.037 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 124.6 | 170.7 | -79.1 | -172.3 | 0 | 0 | 0 | 111.4 | F13 Y19 R27 A28 A34 W47 G50 F213 | F13-L215 HydrophobicContact CE1-CD2 3.96Å; F13-L215 HydrophobicContact CE2-CD2 4.29Å; F13-L215 HydrophobicContact CZ-CD2 3.49Å; F13-L215 VanDerWaalsContact CZ-CD2 3.49Å; Y19-L215 HydrophobicContact CD2-CD1 3.85Å; Y19-L215 HydrophobicContact CE2-CD1 4.33Å; R27-L215 WeakPolarHBondContact CA-O 3.45Å; A28-L215 HydrophobicContact CB-CB 3.71Å; A28-L215 HydrophobicContact CB-CD1 4.15Å; A28-L215 PolarHBondContact N-O 2.89Å; A34-L215 HydrophobicContact CB-CD1 4.05Å; W47-L215 HydrophobicContact CD2-CD1 4.5Å; W47-L215 HydrophobicContact CE3-CD1 3.91Å; W47-L215 HydrophobicContact CH2-CD1 3.22Å; W47-L215 HydrophobicContact CH2-CG 4.23Å; W47-L215 HydrophobicContact CZ2-CD1 3.87Å; W47-L215 HydrophobicContact CZ3-CB 4.5Å; W47-L215 HydrophobicContact CZ3-CD1 3.25Å; W47-L215 HydrophobicContact CZ3-CG 3.89Å; G50-L215 WeakPolarHBondContact CA-O 3.31Å; G50-L215 PolarHBondContact O-N 3.37Å; F213-L215 HydrophobicContact CD2-CD2 4.13Å; F213-L215 HydrophobicContact CD2-CG 4.48Å; F213-L215 HydrophobicContact CE2-CD2 3.44Å; F213-L215 VanDerWaalsContact CE2-CD2 3.44Å; F213-L215 HydrophobicContact CE2-CG 3.91Å; F213-L215 HydrophobicContact CZ-CD2 4.38Å |
| 216 | R | 77.6 | Confident | 45.3 | Very low | 115 Ų | 115 | 86.7 Ų | 86.7 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | B | Isolated β-bridge | trans | -131.7 | 144.6 | 179.7 | -68.8 | -177.5 | 178.5 | -167.7 | -1.8 | 110.7 | G26 R27 V214 T218 | G26-R216 CarbonylContact O-C 3.49Å; G26-R216 WeakPolarHBondContact O-CA 3.24Å; R27-R216 HydrophobicContact CG-CG 3.95Å; V214-R216 HydrophobicContact CG1-CG 4.08Å; V214-R216 PolarHBondContact O-N 3.35Å; R216-T218 PolarHBondContact O-N 3.14Å |
| 217 | A | 66.1 | Low | 44.9 | Very low | 29 Ų | 29 | 87.9 Ų | 87.9 | 24% | 0.24 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -76 | -6.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | F11 W23 G26 | F11-A217 WeakPolarHBondContact CE2-O 3.11Å; W23-A217 HydrophobicContact CD2-CB 4.18Å; W23-A217 HydrophobicContact CE3-CB 3.72Å; W23-A217 HydrophobicContact CH2-CB 3.9Å; W23-A217 HydrophobicContact CZ2-CB 4.32Å; W23-A217 HydrophobicContact CZ3-CB 3.59Å; W23-A217 VanDerWaalsContact CZ3-N 3.29Å; G26-A217 PolarHBondContact O-N 2.87Å |
| 218 | T | 56.5 | Low | 44.5 | Very low | 95 Ų | 95 | 91.7 Ų | 91.7 | 58% | 0.583 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -131.9 | 134 | 179.9 | 56.7 | 0 | 0 | 0 | 0 | 110.2 | R216 C220 | R216-T218 PolarHBondContact O-N 3.14Å; T218-C220 PolarHBondContact O-N 2.77Å; T218-C220 VanDerWaalsContact O-N 3.09Å |
| 219 | S | 46.2 | Very low | 44.1 | Very low | 108 Ų | 108 | 93.3 Ų | 93.3 | 76% | 0.755 | 55% | 0.548 | S | S | * | . | trans | -69.3 | 101.4 | 166.6 | 58.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 220 | C | 31.9 | Very low | 43.9 | Very low | 74 Ų | 74 | 94 Ų | 94 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 131.1 | 172 | -67.2 | 0 | 0 | 0 | 0 | 109.2 | T218 L222 | T218-C220 PolarHBondContact O-N 2.77Å; T218-C220 VanDerWaalsContact O-N 3.09Å; C220-L222 PolarHBondContact O-N 2.74Å |
| 221 | P | 33 | Very low | 42.9 | Very low | 123 Ų | 123 | 102.2 Ų | 102.2 | 80% | 0.799 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 131.5 | 169.8 | 24.5 | -29.6 | 0 | 0 | 0 | 107.9 | ||
| 222 | L | 32.4 | Very low | 42.3 | Very low | 96 Ų | 96 | 103.9 Ų | 103.9 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 144.2 | -179.7 | -70.6 | 122.1 | 0 | 0 | 0 | 111.2 | C220 S224 Q261 | C220-L222 PolarHBondContact O-N 2.74Å; L222-S224 PolarHBondContact O-N 2.8Å; L222-Q261 HydrophobicContact CD1-CG 3.59Å; L222-Q261 VanDerWaalsContact CG-CD 3.48Å |
| 223 | P | 28.3 | Very low | 41.2 | Very low | 119 Ų | 119 | 107.6 Ų | 107.6 | 77% | 0.773 | 63% | 0.63 | S | S | * | * | trans | -57.6 | 112 | 164.7 | 25.2 | -30.1 | 0 | 0 | 0 | 106.7 | S225 | P223-S225 PolarHBondContact O-N 2.99Š| ||
| 224 | S | 30.7 | Very low | 39.5 | Very low | 100 Ų | 100 | 109.1 Ų | 109.1 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | trans | -47.9 | 115.8 | 170.9 | 49.8 | 0 | 0 | 0 | 0 | 106.7 | L222 L226 | L222-S224 PolarHBondContact O-N 2.8Å; S224-L226 PolarHBondContact O-N 2.91Å | ||
| 225 | S | 28.4 | Very low | 37.2 | Very low | 112 Ų | 112 | 112 Ų | 112 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | trans | -49.9 | 108.3 | 172 | 56.9 | 0 | 0 | 0 | 0 | 106.6 | P223 S227 | P223-S225 PolarHBondContact O-N 2.99Å; S225-S227 VanDerWaalsContact C-N 3.3Å; S225-S227 PolarHBondContact O-N 3.07Å | ||
| 226 | L | 28.1 | Very low | 34.8 | Very low | 158 Ų | 158 | 114.7 Ų | 114.7 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | -55.2 | 103.6 | 174.7 | -84.3 | 146.7 | 0 | 0 | 0 | 105.6 | S224 N228 | S224-L226 PolarHBondContact O-N 2.91Å; L226-N228 PolarHBondContact O-N 3.06Å | ||
| 227 | S | 27.2 | Very low | 32.5 | Very low | 94 Ų | 94 | 119.2 Ų | 119.2 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | trans | -57.4 | 112.1 | 172.4 | 53.4 | 0 | 0 | 0 | 0 | 105.8 | S225 N229 | S225-S227 VanDerWaalsContact C-N 3.3Å; S225-S227 PolarHBondContact O-N 3.07Å; S227-N229 PolarHBondContact O-N 3.09Å | ||
| 228 | N | 26.4 | Very low | 30.6 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | trans | -56.5 | 91.8 | 172.8 | -80.9 | -22 | 0 | 0 | 0 | 108.6 | L226 S230 | L226-N228 PolarHBondContact O-N 3.06Å; N228-S230 VanDerWaalsContact C-N 3.29Å; N228-S230 PolarHBondContact O-N 2.79Å | ||
| 229 | N | 27.6 | Very low | 29 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -71.6 | 94.2 | 166.6 | -99 | -6.6 | 0 | 0 | 0 | 106.8 | S227 R231 | S227-N229 PolarHBondContact O-N 3.09Å; N229-R231 VanDerWaalsContact C-N 3.33Å; N229-R231 PolarHBondContact O-N 3.49Å | ||
| 230 | S | 28 | Very low | 28.2 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -58.3 | 93.4 | 163.7 | 34.1 | 0 | 0 | 0 | 0 | 109.1 | N228 S232 | N228-S230 VanDerWaalsContact C-N 3.29Å; N228-S230 PolarHBondContact O-N 2.79Å; S230-S232 PolarHBondContact O-N 2.88Å | ||
| 231 | R | 26.8 | Very low | 27.9 | Very low | 240 Ų | 240 | 131.5 Ų | 131.5 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -79.6 | 96.5 | 160.7 | -81.6 | -177.4 | 169.1 | 173.1 | -2.8 | 107.8 | N229 S233 | N229-R231 VanDerWaalsContact C-N 3.33Å; N229-R231 PolarHBondContact O-N 3.49Å; R231-S233 PolarHBondContact O-N 3.33Å | ||
| 232 | S | 27.3 | Very low | 28.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | -65.2 | 99.9 | 165.4 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | S230 | S230-S232 PolarHBondContact O-N 2.88Š| ||
| 233 | S | 28.6 | Very low | 28.1 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -88 | 107 | 160 | 40.1 | 0 | 0 | 0 | 0 | 108.5 | R231 S235 | R231-S233 PolarHBondContact O-N 3.33Å; S233-S235 PolarHBondContact O-N 2.89Å | ||
| 234 | S | 26.8 | Very low | 27.9 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -64.2 | 117.5 | 172.5 | 57.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 235 | S | 29.8 | Very low | 27.8 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -126 | 105.7 | 157.9 | 173.2 | 0 | 0 | 0 | 0 | 106.3 | S233 | S233-S235 PolarHBondContact O-N 2.89Š| ||
| 236 | G | 23.8 | Very low | 27.6 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | -86.3 | 133.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 237 | Y | 28.2 | Very low | 27.7 | Very low | 209 Ų | 209 | 142.9 Ų | 142.9 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | trans | -146.4 | 108.8 | 149.4 | -87.8 | -78 | 0 | 0 | 0 | 109.8 | ||||
| 238 | R | 26.5 | Very low | 27.6 | Very low | 218 Ų | 218 | 143.2 Ų | 143.2 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | trans | 37.5 | 100.4 | 134.9 | -69.3 | 178.3 | -171.9 | -99.1 | 1.3 | 116.9 | ||||
| 239 | S | 23.2 | Very low | 27.6 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | 82 | 96.4 | 87 | 69.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 240 | A | 30.1 | Very low | 27.6 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | -146.7 | 96.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 241 | T | 25.1 | Very low | 27.5 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -90.8 | 174.2 | 165.8 | 50.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 242 | P | 39.7 | Very low | 27.6 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -133.1 | 159 | -15.5 | 33.3 | -15.8 | 0 | 0 | 0 | 113 | ||||
| 243 | T | 29.6 | Very low | 27.6 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | -156.9 | 129.3 | 130.6 | 41.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 244 | T | 24.4 | Very low | 27.5 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -63.4 | 139.4 | -174.7 | 47.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 245 | E | 28.3 | Very low | 27.7 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -166.4 | 81.5 | 142.3 | -106 | 175.1 | -158.7 | 0 | 0 | 108.6 | ||||
| 246 | K | 24.6 | Very low | 27.6 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | 53.1 | 114.9 | 98.4 | -78.2 | -169.6 | -179.1 | 176.3 | 0 | 117.3 | |||||
| 247 | K | 29 | Very low | 27.7 | Very low | 198 Ų | 198 | 161.1 Ų | 161.1 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 98.1 | 90.9 | 152.3 | -61 | 172.5 | -179.8 | -178.4 | 0 | 116.4 | ||||
| 248 | S | 25.5 | Very low | 27.6 | Very low | 100 Ų | 100 | 159.3 Ų | 159.3 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | 68.7 | 92.5 | 84.4 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 249 | I | 26.7 | Very low | 27.5 | Very low | 145 Ų | 145 | 160.2 Ų | 160.2 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | 56.4 | 118.1 | 96.8 | -48.7 | 159.4 | 0 | 0 | 0 | 113.6 | |||||
| 250 | F | 27.7 | Very low | 27.7 | Very low | 158 Ų | 158 | 163.6 Ų | 163.6 | 69% | 0.693 | 80% | 0.803 | S | S | * | * | -179.6 | 117.1 | 120.5 | -113 | -113.7 | 0 | 0 | 0 | 114.8 | |||||
| 251 | K | 25.9 | Very low | 27.6 | Very low | 161 Ų | 161 | 165 Ų | 165 | 70% | 0.7 | 79% | 0.791 | S | S | * | * | trans | 48.7 | 121 | 136.9 | -57.7 | -173.5 | -175.9 | 173.2 | 0 | 120.1 | ||||
| 252 | R | 28.9 | Very low | 27.6 | Very low | 248 Ų | 248 | 167 Ų | 167 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | -170.2 | 138.4 | 78 | -96 | -175.1 | -174 | 179.2 | 1.5 | 111.4 | |||||
| 253 | S | 26.9 | Very low | 27.1 | Very low | 101 Ų | 101 | 164.8 Ų | 164.8 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -105.1 | 161.4 | 175.6 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 254 | I | 26.6 | Very low | 27.1 | Very low | 123 Ų | 123 | 164 Ų | 164 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | trans | 85.7 | 103.8 | 160 | -54.7 | 142.4 | 0 | 0 | 0 | 117.4 | ||||
| 255 | F | 32.1 | Very low | 27.3 | Very low | 201 Ų | 201 | 159.8 Ų | 159.8 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | -166.9 | 88.3 | 122.8 | -93.5 | -71.5 | 0 | 0 | 0 | 108.1 | |||||
| 256 | R | 26.7 | Very low | 27.1 | Very low | 221 Ų | 221 | 155 Ų | 155 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | 42.8 | 106.3 | 101.8 | -76.1 | -168.5 | 178.4 | -170.3 | 0.7 | 115.8 | |||||
| 257 | K | 25.9 | Very low | 27.2 | Very low | 204 Ų | 204 | 151.4 Ų | 151.4 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | 172.9 | 141.6 | 109.2 | -96 | 174.9 | 175.9 | 180 | 0 | 113.2 | |||||
| 258 | L | 25.8 | Very low | 27.1 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 90% | 0.901 | 71% | 0.706 | S | S | * | * | trans | -48.1 | 149.7 | -177.4 | -76.3 | 71.2 | 0 | 0 | 0 | 116.1 | ||||
| 259 | R | 25 | Very low | 27 | Very low | 237 Ų | 237 | 149.6 Ų | 149.6 | 89% | 0.894 | 72% | 0.715 | S | S | * | * | trans | -147.3 | 117.8 | 153.1 | -163.6 | 167.3 | 163.6 | 161 | -4.1 | 114.1 | ||||
| 260 | K | 26.8 | Very low | 26.8 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | trans | 22.4 | 127.8 | 152.3 | -72.4 | -175.4 | 169.9 | -167.3 | 0 | 120.9 | ||||
| 261 | Q | 27.5 | Very low | 26.6 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | trans | -74.5 | 140.4 | 162 | -67 | -143.9 | -32.6 | 0 | 0 | 111.8 | L222 | L222-Q261 HydrophobicContact CD1-CG 3.59Å; L222-Q261 VanDerWaalsContact CG-CD 3.48Å | ||
| 262 | K | 26.7 | Very low | 26.6 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | -111.5 | 139.4 | 177.1 | -68.6 | -179.9 | 172.8 | -170.3 | 0 | 108.8 | T264 | K262-T264 WeakPolarHBondContact O-CG2 3.38Å; K262-T264 PolarHBondContact O-N 3.48Å | ||
| 263 | S | 29 | Very low | 26.3 | Very low | 62 Ų | 62 | 138.7 Ų | 138.7 | 43% | 0.434 | 72% | 0.715 | S | S | . | * | trans | -47.9 | 109.4 | 160.5 | 168 | 0 | 0 | 0 | 0 | 108.5 | D15 G265 | D15-S263 WeakPolarHBondContact OD2-CB 3.2Å; D15-S263 PolarHBondContact OD2-OG 3.07Å; S263-G265 PolarHBondContact O-N 3.22Å | ||
| 264 | T | 29.6 | Very low | 26.1 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 80% | 0.798 | 72% | 0.722 | S | S | * | * | trans | -82.8 | 69.8 | -173.9 | 51.9 | 0 | 0 | 0 | 0 | 110.2 | K262 | K262-T264 WeakPolarHBondContact O-CG2 3.38Å; K262-T264 PolarHBondContact O-N 3.48Å | ||
| 265 | G | 28.9 | Very low | 26 | Very low | 28 Ų | 28 | 141 Ų | 141 | 29% | 0.289 | 73% | 0.729 | S | S | . | * | trans | -102.6 | 78 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | S263 L267 | S263-G265 PolarHBondContact O-N 3.22Å; G265-L267 PolarHBondContact O-N 2.96Å | ||
| 266 | D | 23.1 | Very low | 25.5 | Very low | 93 Ų | 93 | 134 Ų | 134 | 50% | 0.497 | 71% | 0.713 | S | S | . | * | trans | -71.6 | 78.7 | -175.7 | -159.6 | 27.7 | 0 | 0 | 0 | 109.8 | R209 | R209-D266 WeakPolarHBondContact CD-O 3.44Å; R209-D266 IonicContact CZ-OD2 3.7Å; R209-D266 PolarHBondContact NH1-O 2.74Å; R209-D266 IonicContact NH1-OD2 2.93Å; R209-D266 PolarHBondContact NH1-OD2 3Å | ||
| 267 | L | 27.7 | Very low | 25.3 | Very low | 109 Ų | 109 | 128 Ų | 128 | 57% | 0.571 | 71% | 0.711 | S | S | * | * | trans | -117.7 | 50.1 | 174.3 | -68.4 | 176.7 | 0 | 0 | 0 | 109.4 | G265 | G265-L267 PolarHBondContact O-N 2.96Š| ||
| 268 | S | 25.5 | Very low | 25 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 57% | 0.566 | 71% | 0.709 | S | S | * | * | trans | -100.4 | 116.9 | 161.8 | 68.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 269 | M | 23.7 | Very low | 24.9 | Very low | 179 Ų | 179 | 124.3 Ų | 124.3 | 88% | 0.882 | 70% | 0.702 | S | S | * | * | trans | -150.1 | 86.6 | 139.3 | -87.8 | -54.2 | -84 | 0 | 0 | 107.7 | ||||
| 270 | V | 23.8 | Very low | 24.8 | Very low | 134 Ų | 134 | 118.6 Ų | 118.6 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | trans | -45.8 | 138.5 | 152.8 | 170.2 | 0 | 0 | 0 | 0 | 109.4 | G272 | V270-G272 PolarHBondContact O-N 3.37Š| ||
| 271 | G | 23.7 | Very low | 24.5 | Very low | 65 Ų | 65 | 116.4 Ų | 116.4 | 67% | 0.67 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 130.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 272 | G | 23.9 | Very low | 24.2 | Very low | 80 Ų | 80 | 113.8 Ų | 113.8 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 119.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V270 | V270-G272 PolarHBondContact O-N 3.37Š|
| 273 | R | 23.7 | Very low | 24 | Very low | 204 Ų | 204 | 108.9 Ų | 108.9 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 134 | 178.6 | -62.8 | 171.5 | 173.2 | -165.9 | -1.6 | 111.7 | ||
| 274 | S | 23 | Very low | 23.7 | Very low | 123 Ų | 123 | 112 Ų | 112 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -117.8 | 94 | 146.7 | 61.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 275 | I | 23.9 | Very low | 23.4 | Very low | 149 Ų | 149 | 109.9 Ų | 109.9 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | trans | -84.3 | 137.1 | 164.1 | -66.3 | 169.5 | 0 | 0 | 0 | 106.4 | ||||
| 276 | G | 21.2 | Very low | 23.1 | Very low | 54 Ų | 54 | 111.4 Ų | 111.4 | 56% | 0.557 | 75% | 0.749 | S | S | * | * | trans | 154.8 | 65.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F278 | G276-F278 PolarHBondContact O-N 3.03Š| ||
| 277 | A | 22.1 | Very low | 23.2 | Very low | 96 Ų | 96 | 114 Ų | 114 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | -57.8 | 106.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 278 | F | 20.9 | Very low | 22.9 | Very low | 189 Ų | 189 | 118 Ų | 118 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -112.7 | 84.5 | 152.7 | -82.3 | -79.5 | 0 | 0 | 0 | 107.3 | G276 T280 | G276-F278 PolarHBondContact O-N 3.03Å; F278-T280 VanDerWaalsContact C-N 3.35Å; F278-T280 PolarHBondContact O-N 3.49Å | ||
| 279 | S | 22.6 | Very low | 22.8 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -70.9 | 95.2 | 151.5 | 51.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 280 | T | 22.6 | Very low | 22.9 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 71% | 0.712 | 78% | 0.778 | S | S | * | * | trans | -157.1 | 122.1 | 146.8 | 37.2 | 0 | 0 | 0 | 0 | 108.7 | F278 | F278-T280 VanDerWaalsContact C-N 3.35Å; F278-T280 PolarHBondContact O-N 3.49Å | ||
| 281 | C | 22.1 | Very low | 22.9 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | trans | -40.6 | 146.3 | 162.6 | 45.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 282 | G | 21.4 | Very low | 23 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 141.7 | 103.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 283 | G | 22.3 | Very low | 23.1 | Very low | 75 Ų | 75 | 128.7 Ų | 128.7 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -67.4 | 159.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 284 | S | 23.2 | Very low | 23.3 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | trans | 178.1 | 135.7 | 140.1 | -76.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 285 | G | 22.4 | Very low | 23.6 | Very low | 84 Ų | 84 | 127 Ų | 127 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -61.3 | 133.8 | -168 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 286 | G | 22.6 | Very low | 24 | Very low | 60 Ų | 60 | 121.4 Ų | 121.4 | 62% | 0.619 | 74% | 0.74 | S | S | * | * | trans | -131.5 | 104.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.9 | F288 | G286-F288 PolarHBondContact O-N 3.41Å; G286-F288 VanDerWaalsContact O-N 3.08Å | ||
| 287 | L | 24.1 | Very low | 24.9 | Very low | 149 Ų | 149 | 119.3 Ų | 119.3 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | trans | -67.7 | 94.5 | 173.9 | -82 | 81.9 | 0 | 0 | 0 | 110.3 | ||||
| 288 | F | 23.2 | Very low | 25.6 | Very low | 193 Ų | 193 | 115.5 Ų | 115.5 | 85% | 0.846 | 69% | 0.685 | S | S | * | * | trans | -96.9 | 104 | 163 | -79 | -81.7 | 0 | 0 | 0 | 109.9 | G286 S290 | G286-F288 PolarHBondContact O-N 3.41Å; G286-F288 VanDerWaalsContact O-N 3.08Å; F288-S290 PolarHBondContact O-N 3.22Å | ||
| 289 | H | 22.7 | Very low | 26.3 | Very low | 168 Ų | 168 | 111.8 Ų | 111.8 | 78% | 0.778 | 67% | 0.673 | S | S | * | * | trans | -70.5 | 74.4 | 169.4 | -69.2 | 82.3 | 0 | 0 | 0 | 109.7 | R291 | H289-R291 PolarHBondContact O-N 3.41Š| ||
| 290 | S | 25.3 | Very low | 27.1 | Very low | 105 Ų | 105 | 110.7 Ų | 110.7 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | trans | -70.8 | 104.3 | 167.7 | 62.8 | 0 | 0 | 0 | 0 | 108.3 | F288 G292 | F288-S290 PolarHBondContact O-N 3.22Å; S290-G292 PolarHBondContact O-N 3.06Å | ||
| 291 | R | 23.9 | Very low | 28.4 | Very low | 256 Ų | 256 | 105.5 Ų | 105.5 | 97% | 0.966 | 62% | 0.621 | S | S | * | * | trans | -60.9 | 70.5 | 155.1 | -83.1 | 178.5 | 167.4 | 175.4 | -3.9 | 108.2 | H289 R293 | H289-R291 PolarHBondContact O-N 3.41Å; R291-R293 PolarHBondContact O-N 3.08Å | ||
| 292 | G | 25.8 | Very low | 29.3 | Very low | 52 Ų | 52 | 100.8 Ų | 100.8 | 54% | 0.536 | 59% | 0.587 | S | S | . | * | trans | -76.6 | 116.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S290 R294 | S290-G292 PolarHBondContact O-N 3.06Å; G292-R294 PolarHBondContact O-N 3.48Å | ||
| 293 | R | 26.2 | Very low | 30.5 | Very low | 182 Ų | 182 | 102.5 Ų | 102.5 | 69% | 0.687 | 58% | 0.576 | S | S | * | * | trans | -46.4 | 107.8 | 168.3 | -140.9 | 174.4 | -166.5 | -111.6 | 6.9 | 108.5 | R205 R291 P295 | R205-R293 VanDerWaalsContact CZ-NH2 3.32Å; R205-R293 VanDerWaalsContact NE-NH1 3.15Å; R291-R293 PolarHBondContact O-N 3.08Å; R293-P295 WeakPolarHBondContact O-CD 3.46Å | ||
| 294 | R | 27.3 | Very low | 31.7 | Very low | 192 Ų | 192 | 99 Ų | 99 | 73% | 0.725 | 54% | 0.54 | S | S | * | . | trans | -61.3 | 122 | -177.4 | -67.5 | -178.1 | 178.8 | 170.3 | 3.1 | 108.4 | G292 G296 | G292-R294 PolarHBondContact O-N 3.48Å; R294-G296 PolarHBondContact O-N 2.96Å | ||
| 295 | P | 30.6 | Very low | 32.9 | Very low | 100 Ų | 100 | 93 Ų | 93 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | trans | -55.5 | 128.7 | 168.4 | -18.9 | 30.7 | 0 | 0 | 0 | 107.8 | R293 G297 | R293-P295 WeakPolarHBondContact O-CD 3.46Å; P295-G297 CarbonylContact O-C 3.6Å; P295-G297 PolarHBondContact O-N 3.07Å | ||
| 296 | G | 32 | Very low | 34 | Very low | 31 Ų | 31 | 90.7 Ų | 90.7 | 32% | 0.32 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -60.4 | -14.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S175 R294 S298 | S175-G296 PolarHBondContact OG-O 3.34Å; R294-G296 PolarHBondContact O-N 2.96Å; G296-S298 PolarHBondContact O-N 3Å |
| 297 | G | 38.8 | Very low | 35 | Very low | 9 Ų | 9 | 88.5 Ų | 88.5 | 9% | 0.093 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -82.8 | 106.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P295 L299 | P295-G297 CarbonylContact O-C 3.6Å; P295-G297 PolarHBondContact O-N 3.07Å; G297-L299 PolarHBondContact O-N 3Å |
| 298 | S | 37.8 | Very low | 35.6 | Very low | 17 Ų | 17 | 84.9 Ų | 84.9 | 12% | 0.119 | 42% | 0.423 | C | S | . | . | trans | -63.4 | 108.7 | 179.5 | -171.6 | 0 | 0 | 0 | 0 | 109.2 | G296 R300 S301 D352 | G296-S298 PolarHBondContact O-N 3Å; S298-R300 PolarHBondContact O-N 3.48Å; S298-R300 WeakPolarHBondContact OG-CB 3.08Å; S298-R300 VanDerWaalsContact OG-CG 3.27Å; S298-R300 WeakPolarHBondContact OG-CG 3.41Å; S298-R300 PolarHBondContact OG-N 3.25Å; S298-S301 WeakPolarHBondContact O-CB 3.3Å; S298-S301 PolarHBondContact O-N 3.38Å; S298-S301 PolarHBondContact O-OG 2.85Å; S298-D352 WeakPolarHBondContact CB-OD2 3.45Å; S298-D352 PolarHBondContact OG-OD2 3.27Å | ||
| 299 | L | 34.2 | Very low | 36.7 | Very low | 110 Ų | 110 | 76.8 Ų | 76.8 | 58% | 0.576 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -16.7 | 163.4 | -81.9 | 155.5 | 0 | 0 | 0 | 112.4 | Q170 G297 | Q170-L299 VanDerWaalsContact NE2-CD2 3.35Å; G297-L299 PolarHBondContact O-N 3Å |
| 300 | R | 41.2 | Very low | 37.4 | Very low | 87 Ų | 87 | 69.2 Ų | 69.2 | 33% | 0.328 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -22.9 | 177 | -43.8 | 173.5 | 155.2 | -172.6 | -6.4 | 112.9 | S298 N302 I303 S304 | S298-R300 PolarHBondContact O-N 3.48Å; S298-R300 WeakPolarHBondContact OG-CB 3.08Å; S298-R300 VanDerWaalsContact OG-CG 3.27Å; S298-R300 WeakPolarHBondContact OG-CG 3.41Å; S298-R300 PolarHBondContact OG-N 3.25Å; R300-N302 PolarHBondContact O-N 3Å; R300-I303 PolarHBondContact O-N 2.69Å; R300-I303 VanDerWaalsContact O-N 3.07Å; R300-S304 PolarHBondContact O-N 3.42Å |
| 301 | S | 48.2 | Very low | 37.9 | Very low | 7 Ų | 7 | 64.7 Ų | 64.7 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54.1 | -43.1 | 175.1 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | R143 S172 S298 I303 S304 T305 | R143-S301 VanDerWaalsContact NH2-CA 3.34Å; R143-S301 PolarHBondContact NH2-O 2.98Å; S172-S301 WeakPolarHBondContact CB-OG 3.27Å; S172-S301 WeakPolarHBondContact OG-CB 3.35Å; S172-S301 PolarHBondContact OG-OG 3.45Å; S298-S301 WeakPolarHBondContact O-CB 3.3Å; S298-S301 PolarHBondContact O-N 3.38Å; S298-S301 PolarHBondContact O-OG 2.85Å; S301-I303 VanDerWaalsContact C-N 3.29Å; S301-I303 PolarHBondContact O-N 3.18Å; S301-S304 CarbonylContact O-C 3.57Å; S301-S304 WeakPolarHBondContact O-CB 3.29Å; S301-S304 PolarHBondContact O-N 2.99Å; S301-S304 VanDerWaalsContact O-N 3.13Å; S301-T305 PolarHBondContact O-N 3.49Å; S301-T305 PolarHBondContact O-OG1 3Å |
| 302 | N | 42.9 | Very low | 38.3 | Very low | 34 Ų | 34 | 56.6 Ų | 56.6 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.7 | -38.7 | 176.9 | -64.3 | -27.3 | 0 | 0 | 0 | 113.1 | N171 S172 R300 T305 | N171-N302 WeakPolarHBondContact CB-OD1 3.25Å; N171-N302 PolarHBondContact N-OD1 3.38Å; S172-N302 PolarHBondContact N-OD1 3.01Å; R300-N302 PolarHBondContact O-N 3Å; N302-T305 WeakPolarHBondContact CA-OG1 3.37Å; N302-T305 PolarHBondContact O-N 3.33Å; N302-T305 PolarHBondContact O-OG1 3.17Å |
| 303 | I | 45.1 | Very low | 38.5 | Very low | 113 Ų | 113 | 55.4 Ų | 55.4 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -72.4 | -47.8 | 179.2 | -61.2 | 173.1 | 0 | 0 | 0 | 108.6 | R300 S301 T305 S306 I309 | R300-I303 PolarHBondContact O-N 2.69Å; R300-I303 VanDerWaalsContact O-N 3.07Å; S301-I303 VanDerWaalsContact C-N 3.29Å; S301-I303 PolarHBondContact O-N 3.18Å; I303-T305 PolarHBondContact O-N 3.12Å; I303-T305 VanDerWaalsContact O-N 3.17Å; I303-S306 WeakPolarHBondContact O-CB 3.3Å; I303-S306 PolarHBondContact O-N 3.03Å; I303-I309 HydrophobicContact CG2-CD1 4.24Å; I303-I309 WeakPolarHBondContact O-CD1 3.45Å |
| 304 | S | 48.7 | Very low | 38.7 | Very low | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.7 | -27.5 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | R149 R300 S301 D352 N375 | R149-S304 VanDerWaalsContact NH1-C 3.26Å; R149-S304 PolarHBondContact NH1-O 3.17Å; R149-S304 PolarHBondContact NH2-O 3.2Å; R300-S304 PolarHBondContact O-N 3.42Å; S301-S304 CarbonylContact O-C 3.57Å; S301-S304 WeakPolarHBondContact O-CB 3.29Å; S301-S304 PolarHBondContact O-N 2.99Å; S301-S304 VanDerWaalsContact O-N 3.13Å; S304-D352 WeakPolarHBondContact CB-O 3.46Å; S304-D352 PolarHBondContact OG-O 3.3Å; S304-N375 PolarHBondContact OG-ND2 3.24Å |
| 305 | T | 48.7 | Very low | 38.7 | Very low | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.1 | -20.4 | 173.6 | -0.9 | 0 | 0 | 0 | 0 | 115.9 | N128 S132 R149 S301 N302 I303 S307 | N128-T305 HydrophobicContact CB-CG2 4.33Å; N128-T305 WeakPolarHBondContact ND2-CG2 3.24Å; S132-T305 WeakPolarHBondContact OG-CG2 3.34Å; R149-T305 VanDerWaalsContact NH2-C 3.26Å; R149-T305 PolarHBondContact NH2-O 3.17Å; S301-T305 PolarHBondContact O-N 3.49Å; S301-T305 PolarHBondContact O-OG1 3Å; N302-T305 WeakPolarHBondContact CA-OG1 3.37Å; N302-T305 PolarHBondContact O-N 3.33Å; N302-T305 PolarHBondContact O-OG1 3.17Å; I303-T305 PolarHBondContact O-N 3.12Å; I303-T305 VanDerWaalsContact O-N 3.17Å; T305-S307 PolarHBondContact O-N 3.08Å |
| 306 | S | 44.4 | Very low | 38.5 | Very low | 34 Ų | 34 | 52.1 Ų | 52.1 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | trans | -63.6 | 115.8 | -179 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | I303 Q308 I309 | I303-S306 WeakPolarHBondContact O-CB 3.3Å; I303-S306 PolarHBondContact O-N 3.03Å; S306-Q308 PolarHBondContact O-N 2.97Å; S306-Q308 VanDerWaalsContact O-N 3.07Å; S306-I309 PolarHBondContact O-N 2.88Å | ||
| 307 | S | 43.5 | Very low | 38.3 | Very low | 15 Ų | 15 | 53.3 Ų | 53.3 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -12.5 | 177.2 | 46.6 | 0 | 0 | 0 | 0 | 113.8 | T305 | T305-S307 PolarHBondContact O-N 3.08Š|
| 308 | Q | 37 | Very low | 37.7 | Very low | 73 Ų | 73 | 61 Ų | 61 | 34% | 0.341 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -3.5 | -176.9 | -67.6 | -177.4 | -21.5 | 0 | 0 | 114.2 | Y154 S306 T310 T311 | Y154-Q308 HydrophobicContact CE2-CG 4.03Å; Y154-Q308 PolarHBondContact OH-NE2 3.17Å; S306-Q308 PolarHBondContact O-N 2.97Å; S306-Q308 VanDerWaalsContact O-N 3.07Å; Q308-T310 VanDerWaalsContact C-N 3.33Å; Q308-T310 PolarHBondContact O-N 3Å; Q308-T311 PolarHBondContact O-N 2.8Å; Q308-T311 PolarHBondContact O-OG1 3.03Å |
| 309 | I | 45.8 | Very low | 37.2 | Very low | 23 Ų | 23 | 66.5 Ų | 66.5 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -73.7 | -22.3 | -169.3 | -65.5 | 174.9 | 0 | 0 | 0 | 113.3 | I303 S306 N375 | I303-I309 HydrophobicContact CG2-CD1 4.24Å; I303-I309 WeakPolarHBondContact O-CD1 3.45Å; S306-I309 PolarHBondContact O-N 2.88Å; I309-N375 HydrophobicContact CG2-CB 3.99Å; I309-N375 WeakPolarHBondContact CG2-O 3.22Å |
| 310 | T | 38.2 | Very low | 36.9 | Very low | 8 Ų | 8 | 70.6 Ų | 70.6 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -77.6 | -20.3 | 177.5 | 50.5 | 0 | 0 | 0 | 0 | 114.7 | Q308 N312 E343 A360 W372 | Q308-T310 VanDerWaalsContact C-N 3.33Å; Q308-T310 PolarHBondContact O-N 3Å; T310-N312 VanDerWaalsContact C-N 3.28Å; T310-N312 PolarHBondContact O-N 2.96Å; T310-E343 HydrophobicContact CG2-CG 4.41Å; T310-E343 WeakPolarHBondContact CG2-OE1 3.49Å; T310-E343 VanDerWaalsContact CG2-OE2 3.29Å; T310-E343 WeakPolarHBondContact CG2-OE2 3.39Å; T310-E343 VanDerWaalsContact OG1-CD 3.28Å; T310-E343 PolarHBondContact OG1-OE2 3.24Å; T310-A360 HydrophobicContact CG2-CB 4.1Å; T310-W372 HydrophobicContact CG2-CH2 3.89Å; T310-W372 HydrophobicContact CG2-CZ3 4.49Å |
| 311 | T | 35.7 | Very low | 36.2 | Very low | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -79.3 | -6.5 | -178 | 58.3 | 0 | 0 | 0 | 0 | 114.1 | Q308 S313 F314 E334 R362 | Q308-T311 PolarHBondContact O-N 2.8Å; Q308-T311 PolarHBondContact O-OG1 3.03Å; T311-S313 PolarHBondContact O-N 2.78Å; T311-F314 PolarHBondContact O-N 3.03Å; T311-E334 PolarHBondContact OG1-OE1 3.47Å; T311-R362 VanDerWaalsContact CG2-NH1 3.33Å |
| 312 | N | 32.5 | Very low | 35.2 | Very low | 85 Ų | 85 | 77.6 Ų | 77.6 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 12.8 | -179.2 | -78 | -23.1 | 0 | 0 | 0 | 115.6 | T310 F314 N398 | T310-N312 VanDerWaalsContact C-N 3.28Å; T310-N312 PolarHBondContact O-N 2.96Å; N312-F314 PolarHBondContact O-N 3.21Å; N312-N398 HydrophobicContact CB-CB 4.27Å; N312-N398 VanDerWaalsContact CB-ND2 3.32Å; N312-N398 WeakPolarHBondContact CB-ND2 3.15Å; N312-N398 VanDerWaalsContact O-CB 3.27Å; N312-N398 WeakPolarHBondContact O-CB 3.46Å |
| 313 | S | 29.8 | Very low | 34.3 | Very low | 27 Ų | 27 | 79 Ų | 79 | 19% | 0.189 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -3.9 | 166 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | T311 | T311-S313 PolarHBondContact O-N 2.78Š|
| 314 | F | 30.5 | Very low | 33.4 | Very low | 86 Ų | 86 | 81.6 Ų | 81.6 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -105.3 | 96.4 | 170.3 | -55.6 | -69.9 | 0 | 0 | 0 | 109 | T311 N312 R316 F332 | T311-F314 PolarHBondContact O-N 3.03Å; N312-F314 PolarHBondContact O-N 3.21Å; F314-R316 PolarHBondContact O-N 3.27Å; F314-F332 HydrophobicContact CD1-CB 4.29Å |
| 315 | G | 28.3 | Very low | 32.1 | Very low | 63 Ų | 63 | 85.5 Ų | 85.5 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | trans | -59.8 | 123 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 316 | R | 24.6 | Very low | 30.9 | Very low | 257 Ų | 257 | 88.7 Ų | 88.7 | 97% | 0.97 | 55% | 0.548 | S | S | * | . | trans | -91.3 | 103.6 | 144.8 | -99.9 | -161.6 | -168.1 | -105.9 | 2.8 | 108.5 | F314 | F314-R316 PolarHBondContact O-N 3.27Š| ||
| 317 | G | 27.7 | Very low | 29.9 | Very low | 55 Ų | 55 | 96.4 Ų | 96.4 | 57% | 0.567 | 58% | 0.58 | S | S | * | * | trans | -147.6 | 119.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | V319 | G317-V319 WeakPolarHBondContact O-CG2 3.34Å; G317-V319 PolarHBondContact O-N 2.96Å | ||
| 318 | D | 26.9 | Very low | 29 | Very low | 172 Ų | 172 | 99.3 Ų | 99.3 | 92% | 0.92 | 61% | 0.613 | S | S | * | * | trans | -60.1 | 77.5 | 172.7 | -74.3 | -41.5 | 0 | 0 | 0 | 109.8 | K320 | D318-K320 PolarHBondContact O-N 3.36Š| ||
| 319 | V | 28 | Very low | 28.4 | Very low | 132 Ų | 132 | 104.3 Ų | 104.3 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | trans | -85.8 | 99.5 | 168.8 | -163.8 | 0 | 0 | 0 | 0 | 105.4 | G317 A321 | G317-V319 WeakPolarHBondContact O-CG2 3.34Å; G317-V319 PolarHBondContact O-N 2.96Å; V319-A321 PolarHBondContact O-N 3.45Å | ||
| 320 | K | 26.8 | Very low | 27.5 | Very low | 195 Ų | 195 | 109.7 Ų | 109.7 | 85% | 0.848 | 67% | 0.665 | S | S | * | * | trans | -48.9 | 108.5 | 167.6 | -71.6 | -178.4 | 175.9 | -178.6 | 0 | 107.9 | D318 V322 | D318-K320 PolarHBondContact O-N 3.36Å; K320-V322 PolarHBondContact O-N 3.49Å | ||
| 321 | A | 27.7 | Very low | 26.9 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -57.2 | 106.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V319 | V319-A321 PolarHBondContact O-N 3.45Š| ||
| 322 | V | 26.4 | Very low | 26.6 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -79.2 | 116.1 | 156.5 | 175.5 | 0 | 0 | 0 | 0 | 105.2 | K320 | K320-V322 PolarHBondContact O-N 3.49Š| ||
| 323 | G | 24 | Very low | 26.5 | Very low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | trans | -59.8 | 135.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 324 | N | 25.6 | Very low | 27 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | -161 | 138.6 | 117.1 | -116.9 | -9.1 | 0 | 0 | 0 | 108.3 | |||||
| 325 | G | 22.2 | Very low | 27.9 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -60.1 | 147.1 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 326 | G | 23.6 | Very low | 29.1 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 153.7 | 91.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 327 | Q | 23.3 | Very low | 31.1 | Very low | 196 Ų | 196 | 123.9 Ų | 123.9 | 92% | 0.916 | 73% | 0.731 | S | S | * | * | trans | 77.9 | 115.1 | 161.2 | -59.2 | 172 | -6.4 | 0 | 0 | 116.3 | L329 | Q327-L329 PolarHBondContact O-N 3.01Š| ||
| 328 | G | 24.2 | Very low | 33.1 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | trans | -53.4 | 127.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H330 | G328-H330 VanDerWaalsContact C-N 3.27Å; G328-H330 PolarHBondContact O-N 3.45Å | ||
| 329 | L | 24.1 | Very low | 35.4 | Very low | 178 Ų | 178 | 118.3 Ų | 118.3 | 93% | 0.932 | 70% | 0.7 | S | S | * | * | trans | -60.9 | 95.7 | 162.1 | -75.5 | 165 | 0 | 0 | 0 | 107.1 | Q327 E331 | Q327-L329 PolarHBondContact O-N 3.01Å; L329-E331 PolarHBondContact O-N 3.28Å | ||
| 330 | H | 26.9 | Very low | 38.1 | Very low | 135 Ų | 135 | 118 Ų | 118 | 63% | 0.625 | 70% | 0.695 | S | S | * | * | trans | -57 | 102.6 | 167.1 | -179.8 | -87.5 | 0 | 0 | 0 | 107.2 | G328 F332 | G328-H330 VanDerWaalsContact C-N 3.27Å; G328-H330 PolarHBondContact O-N 3.45Å; H330-F332 HydrophobicContact CB-CD2 4.46Å; H330-F332 AromaticContact CE1-CD1 3.84Å; H330-F332 AromaticContact CE1-CD2 3.66Å; H330-F332 AromaticContact CE1-CE1 3.81Å; H330-F332 AromaticContact CE1-CE2 3.61Å; H330-F332 AromaticContact CE1-CG 3.76Å; H330-F332 AromaticContact CE1-CZ 3.68Å; H330-F332 AromaticContact ND1-CD1 3.96Å; H330-F332 AromaticContact ND1-CD2 2.96Å; H330-F332 WeakPolarHBondContact ND1-CD2 3.44Å; H330-F332 AromaticContact ND1-CE2 3.11Å; H330-F332 WeakPolarHBondContact ND1-CE2 3.45Å; H330-F332 AromaticContact ND1-CG 3.41Å; H330-F332 WeakPolarHBondContact ND1-CG 3.47Å; H330-F332 AromaticContact ND1-CZ 3.7Å; H330-F332 PolarHBondContact O-N 2.86Å | ||
| 331 | E | 25.7 | Very low | 40.9 | Very low | 176 Ų | 176 | 109.6 Ų | 109.6 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | -57.7 | 85.4 | 167.6 | -172.5 | 169.8 | -162.5 | 0 | 0 | 106.8 | L329 M333 | L329-E331 PolarHBondContact O-N 3.28Å; E331-M333 PolarHBondContact O-N 2.8Å | ||
| 332 | F | 30.3 | Very low | 43.8 | Very low | 113 Ų | 113 | 106.5 Ų | 106.5 | 50% | 0.496 | 63% | 0.63 | S | S | . | * | trans | -65.2 | 88.8 | 170.7 | -97.7 | -83.6 | 0 | 0 | 0 | 106.3 | F314 H330 E334 | F314-F332 HydrophobicContact CD1-CB 4.29Å; H330-F332 HydrophobicContact CB-CD2 4.46Å; H330-F332 AromaticContact CE1-CD1 3.84Å; H330-F332 AromaticContact CE1-CD2 3.66Å; H330-F332 AromaticContact CE1-CE1 3.81Å; H330-F332 AromaticContact CE1-CE2 3.61Å; H330-F332 AromaticContact CE1-CG 3.76Å; H330-F332 AromaticContact CE1-CZ 3.68Å; H330-F332 AromaticContact ND1-CD1 3.96Å; H330-F332 AromaticContact ND1-CD2 2.96Å; H330-F332 WeakPolarHBondContact ND1-CD2 3.44Å; H330-F332 AromaticContact ND1-CE2 3.11Å; H330-F332 WeakPolarHBondContact ND1-CE2 3.45Å; H330-F332 AromaticContact ND1-CG 3.41Å; H330-F332 WeakPolarHBondContact ND1-CG 3.47Å; H330-F332 AromaticContact ND1-CZ 3.7Å; H330-F332 PolarHBondContact O-N 2.86Å; F332-E334 PolarHBondContact O-N 2.9Å | ||
| 333 | M | 29.5 | Very low | 46.8 | Very low | 158 Ų | 158 | 100.1 Ų | 100.1 | 78% | 0.778 | 59% | 0.591 | S | S | * | * | trans | -44.9 | 127.3 | 157.2 | -72 | 172.3 | 58.7 | 0 | 0 | 106.6 | E331 E335 | E331-M333 PolarHBondContact O-N 2.8Å; M333-E335 PolarHBondContact O-N 2.81Å | ||
| 334 | E | 41.2 | Very low | 50.1 | Low | 102 Ų | 102 | 98.4 Ų | 98.4 | 48% | 0.477 | 57% | 0.568 | S | S | . | * | trans | -45.3 | 114.2 | 169.6 | -70.4 | -174.5 | 137.4 | 0 | 0 | 107.3 | T311 F332 P336 | T311-E334 PolarHBondContact OG1-OE1 3.47Å; F332-E334 PolarHBondContact O-N 2.9Å; E334-P336 WeakPolarHBondContact O-CD 3.17Å; E334-P336 VanDerWaalsContact O-N 3.07Å | ||
| 335 | E | 48.3 | Very low | 53.4 | Low | 135 Ų | 135 | 90.4 Ų | 90.4 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | trans | -50.9 | 121.5 | 172.8 | -172.8 | 173.5 | -166.8 | 0 | 0 | 106.4 | M333 L337 | M333-E335 PolarHBondContact O-N 2.81Å; E335-L337 PolarHBondContact O-N 3.02Å | ||
| 336 | P | 54.4 | Low | 57 | Low | 122 Ų | 122 | 86.6 Ų | 86.6 | 79% | 0.792 | 49% | 0.485 | S | S | * | . | trans | -53.7 | 109 | -172.5 | -25.9 | 32.5 | 0 | 0 | 0 | 109.3 | E334 G338 | E334-P336 WeakPolarHBondContact O-CD 3.17Å; E334-P336 VanDerWaalsContact O-N 3.07Å; P336-G338 PolarHBondContact O-N 3.32Å | ||
| 337 | L | 66.7 | Low | 60.5 | Low | 29 Ų | 29 | 83.3 Ų | 83.3 | 15% | 0.152 | 45% | 0.452 | C | S | . | . | trans | -58.4 | 126.8 | -178.4 | -75.7 | 166.6 | 0 | 0 | 0 | 108.7 | Y154 E335 V341 | Y154-L337 HydrophobicContact CD1-CB 3.71Å; Y154-L337 HydrophobicContact CD2-CB 4.34Å; Y154-L337 HydrophobicContact CD2-CD1 3.74Å; Y154-L337 HydrophobicContact CE1-CB 3.94Å; Y154-L337 HydrophobicContact CE1-CD1 4.41Å; Y154-L337 HydrophobicContact CE2-CD1 3.63Å; Y154-L337 HydrophobicContact CG-CB 3.93Å; Y154-L337 HydrophobicContact CG-CD1 4.19Å; E335-L337 PolarHBondContact O-N 3.02Å; L337-V341 HydrophobicContact CD2-CB 4.37Å; L337-V341 HydrophobicContact CD2-CG1 3.89Å; L337-V341 HydrophobicContact CD2-CG2 4.46Å | ||
| 338 | G | 69.2 | Low | 64.1 | Low | 32 Ų | 32 | 77.3 Ų | 77.3 | 33% | 0.33 | 42% | 0.424 | S | S | . | . | trans | -53.3 | 145.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P336 N340 V341 | P336-G338 PolarHBondContact O-N 3.32Å; G338-N340 PolarHBondContact O-N 2.84Å; G338-V341 WeakPolarHBondContact O-CB 3.37Å; G338-V341 VanDerWaalsContact O-CG2 3.25Å; G338-V341 WeakPolarHBondContact O-CG2 3.23Å; G338-V341 PolarHBondContact O-N 2.78Å | ||
| 339 | P | 75.2 | Confident | 67.4 | Low | 78 Ų | 78 | 74 Ų | 74 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.1 | -174.2 | 22.3 | -33.7 | 0 | 0 | 0 | 113 | Y154 A155 | Y154-P339 PolarHBondContact N-O 3.24Å; A155-P339 HydrophobicContact CB-CB 3.54Å; A155-P339 VanDerWaalsContact CB-O 3.25Å; A155-P339 WeakPolarHBondContact CB-O 3.41Å; A155-P339 PolarHBondContact N-O 3.23Å |
| 340 | N | 83.9 | Confident | 70.7 | Confident | 127 Ų | 127 | 68.9 Ų | 68.9 | 68% | 0.679 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 5.5 | -176.9 | -60.8 | -16.9 | 0 | 0 | 0 | 113.4 | G338 T342 | G338-N340 PolarHBondContact O-N 2.84Å; N340-T342 PolarHBondContact O-N 3.12Å |
| 341 | V | 86.5 | Confident | 73.6 | Confident | 18 Ų | 18 | 66 Ų | 66 | 11% | 0.109 | 35% | 0.348 | C | S | . | . | trans | -68 | 125.7 | -176.7 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | Y154 L337 G338 R362 S363 D364 | Y154-V341 PolarHBondContact N-O 2.98Å; L337-V341 HydrophobicContact CD2-CB 4.37Å; L337-V341 HydrophobicContact CD2-CG1 3.89Å; L337-V341 HydrophobicContact CD2-CG2 4.46Å; G338-V341 WeakPolarHBondContact O-CB 3.37Å; G338-V341 VanDerWaalsContact O-CG2 3.25Å; G338-V341 WeakPolarHBondContact O-CG2 3.23Å; G338-V341 PolarHBondContact O-N 2.78Å; V341-R362 HydrophobicContact CG1-CG 3.34Å; V341-S363 VanDerWaalsContact CA-OG 3.32Å; V341-S363 WeakPolarHBondContact CA-OG 3.04Å; V341-D364 HydrophobicContact CG2-CB 4.4Å | ||
| 342 | T | 88.3 | Confident | 76.6 | Confident | 34 Ų | 34 | 57.8 Ų | 57.8 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | trans | -120.7 | 149.3 | 177.5 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | P153 N340 R362 S363 | P153-T342 HydrophobicContact CB-CG2 4.23Å; P153-T342 HydrophobicContact CG-CG2 3.93Å; N340-T342 PolarHBondContact O-N 3.12Å; T342-R362 CarbonylContact O-C 3.55Å; T342-R362 VanDerWaalsContact O-CA 3.31Å; T342-R362 WeakPolarHBondContact O-CA 3.24Å; T342-R362 WeakPolarHBondContact O-CG 3.42Å; T342-S363 PolarHBondContact N-OG 3.35Å; T342-S363 PolarHBondContact O-N 2.74Å | ||
| 343 | E | 89.5 | Confident | 79.3 | Confident | 7 Ų | 7 | 55.2 Ų | 55.2 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.5 | 176 | -167.4 | -158.7 | 134.7 | 0 | 0 | 109.9 | R150 S151 T310 R354 E361 | R150-E343 CarbonylContact C-O 3.45Å; S151-E343 PolarHBondContact N-O 3.24Å; S151-E343 PolarHBondContact OG-N 3.38Å; T310-E343 HydrophobicContact CG2-CG 4.41Å; T310-E343 WeakPolarHBondContact CG2-OE1 3.49Å; T310-E343 VanDerWaalsContact CG2-OE2 3.29Å; T310-E343 WeakPolarHBondContact CG2-OE2 3.39Å; T310-E343 VanDerWaalsContact OG1-CD 3.28Å; T310-E343 PolarHBondContact OG1-OE2 3.24Å; E343-R354 IonicContact OE1-CZ 3.62Å; E343-R354 IonicContact OE1-NH1 3.36Å; E343-R354 PolarHBondContact OE1-NH1 3.23Å; E343-R354 IonicContact OE1-NH2 2.91Å; E343-E361 CarbonylContact C-O 3.4Å; E343-E361 WeakPolarHBondContact CA-O 3.33Å |
| 344 | T | 94 | Very high | 82.3 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 17% | 0.172 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.6 | 172.1 | -59.7 | 0 | 0 | 0 | 0 | 109.7 | V148 R149 A360 E361 | V148-T344 HydrophobicContact CG1-CG2 4.1Å; R149-T344 CarbonylContact O-C 3.54Å; R149-T344 WeakPolarHBondContact O-CA 3.44Å; T344-A360 CarbonylContact O-C 3.48Å; T344-A360 WeakPolarHBondContact O-CA 3.24Å; T344-E361 PolarHBondContact N-O 3.18Å; T344-E361 PolarHBondContact O-N 2.95Å |
| 345 | Y | 95.5 | Very high | 84.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130.2 | 170.3 | 174.4 | -95.3 | 0 | 0 | 0 | 110.2 | V148 R149 Q348 W349 R354 V359 A360 W372 | V148-Y345 CarbonylContact C-O 3.48Å; V148-Y345 WeakPolarHBondContact CA-O 3.46Å; R149-Y345 PolarHBondContact N-O 3.01Å; R149-Y345 PolarHBondContact O-N 2.83Å; Y345-Q348 PolarHBondContact OH-N 2.69Å; Y345-Q348 PolarHBondContact OH-O 3.22Å; Y345-W349 AromaticContact CD1-CE2 3.6Å; Y345-W349 HydrophobicContact CD1-CH2 4.37Å; Y345-W349 AromaticContact CD1-CZ2 3.4Å; Y345-W349 HydrophobicContact CD1-CZ2 3.4Å; Y345-W349 AromaticContact CD1-NE1 3.55Å; Y345-W349 HydrophobicContact CE1-CD2 4.42Å; Y345-W349 AromaticContact CE1-CE2 3.62Å; Y345-W349 AromaticContact CE1-CZ2 3.87Å; Y345-W349 HydrophobicContact CE1-CZ2 3.87Å; Y345-W349 AromaticContact CE1-NE1 3.39Å; Y345-W349 HydrophobicContact CG-CZ2 4.36Å; Y345-R354 HydrophobicContact CD1-CG 3.85Å; Y345-R354 VanDerWaalsContact CD2-CD 3.46Å; Y345-R354 HydrophobicContact CD2-CG 4.15Å; Y345-R354 HydrophobicContact CE1-CB 4.11Å; Y345-R354 HydrophobicContact CE1-CG 3.67Å; Y345-R354 HydrophobicContact CE2-CB 4.1Å; Y345-R354 HydrophobicContact CE2-CG 4Å; Y345-R354 HydrophobicContact CG-CG 4.06Å; Y345-V359 CarbonylContact C-O 3.52Å; Y345-V359 WeakPolarHBondContact CA-O 3.41Å; Y345-V359 WeakPolarHBondContact CD2-O 3.47Å; Y345-A360 HydrophobicContact CD2-CB 4.12Å; Y345-W372 HydrophobicContact CD2-CZ2 4.2Å; Y345-W372 AromaticContact CE2-CD1 3.98Å; Y345-W372 HydrophobicContact CE2-CD2 4.08Å; Y345-W372 AromaticContact CE2-CE2 3.67Å; Y345-W372 HydrophobicContact CE2-CG 4.24Å; Y345-W372 HydrophobicContact CE2-CZ2 4.08Å; Y345-W372 AromaticContact CE2-NE1 3.62Å |
| 346 | S | 97.5 | Very high | 87.1 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 117 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 108.7 | G358 V359 A433 Q437 | S346-G358 WeakPolarHBondContact O-CA 3.44Å; S346-V359 PolarHBondContact N-O 3.33Å; S346-V359 PolarHBondContact O-N 2.93Å; S346-A433 WeakPolarHBondContact O-CB 3.48Å; S346-Q437 WeakPolarHBondContact OG-CG 3.22Å; S346-Q437 PolarHBondContact OG-NE2 2.94Å; S346-Q437 VanDerWaalsContact OG-NE2 3.09Å |
| 347 | G | 97.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161 | -150.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | L146 G147 | L146-G347 CarbonylContact C-O 3.36Å; L146-G347 WeakPolarHBondContact CA-O 3.38Å; G147-G347 PolarHBondContact N-O 3.02Å; G147-G347 PolarHBondContact O-N 2.84Å; G147-G347 VanDerWaalsContact O-N 3.16Å |
| 348 | Q | 97.4 | Very high | 90.7 | Very high | 70 Ų | 70 | 34.5 Ų | 34.5 | 33% | 0.327 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 142.7 | -173.1 | -70.4 | 174.3 | -3.1 | 0 | 0 | 113.2 | G145 L146 Y345 S355 Y357 | G145-Q348 CarbonylContact O-C 3.52Å; G145-Q348 WeakPolarHBondContact O-CA 3.4Å; L146-Q348 HydrophobicContact CD2-CG 3.6Å; Y345-Q348 PolarHBondContact OH-N 2.69Å; Y345-Q348 PolarHBondContact OH-O 3.22Å; Q348-S355 CarbonylContact C-O 3.43Å; Q348-S355 VanDerWaalsContact C-O 3.27Å; Q348-S355 WeakPolarHBondContact CB-O 3.14Å; Q348-S355 PolarHBondContact O-N 3.49Å; Q348-Y357 PolarHBondContact N-O 2.89Å; Q348-Y357 VanDerWaalsContact N-O 3.07Å |
| 349 | W | 93.9 | Very high | 92 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 2% | 0.023 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 140.5 | -177.8 | -67.8 | 82.8 | 0 | 0 | 0 | 109.4 | Y134 R143 Q144 G145 G147 R149 Y345 R353 R354 | Y134-W349 HydrophobicContact CD2-CZ2 4.23Å; Y134-W349 AromaticContact CE2-CD1 4Å; Y134-W349 HydrophobicContact CE2-CD2 4.01Å; Y134-W349 AromaticContact CE2-CE2 3.69Å; Y134-W349 HydrophobicContact CE2-CG 4.21Å; Y134-W349 HydrophobicContact CE2-CZ2 4.16Å; Y134-W349 AromaticContact CE2-NE1 3.66Å; R143-W349 HydrophobicContact CB-CB 4.45Å; R143-W349 HydrophobicContact CB-CD2 4.44Å; R143-W349 HydrophobicContact CB-CE3 4.21Å; Q144-W349 CarbonylContact C-O 3.58Å; Q144-W349 WeakPolarHBondContact CA-O 3.12Å; G145-W349 PolarHBondContact N-O 3.26Å; G145-W349 WeakPolarHBondContact O-CB 3.43Å; G145-W349 PolarHBondContact O-N 3.03Å; G147-W349 PolarHBondContact O-NE1 3.44Å; R149-W349 HydrophobicContact CB-CH2 4.35Å; R149-W349 HydrophobicContact CB-CZ2 3.75Å; R149-W349 HydrophobicContact CG-CZ2 4.38Å; Y345-W349 AromaticContact CD1-CE2 3.6Å; Y345-W349 HydrophobicContact CD1-CH2 4.37Å; Y345-W349 AromaticContact CD1-CZ2 3.4Å; Y345-W349 HydrophobicContact CD1-CZ2 3.4Å; Y345-W349 AromaticContact CD1-NE1 3.55Å; Y345-W349 HydrophobicContact CE1-CD2 4.42Å; Y345-W349 AromaticContact CE1-CE2 3.62Å; Y345-W349 AromaticContact CE1-CZ2 3.87Å; Y345-W349 HydrophobicContact CE1-CZ2 3.87Å; Y345-W349 AromaticContact CE1-NE1 3.39Å; Y345-W349 HydrophobicContact CG-CZ2 4.36Å; W349-R353 CarbonylContact C-O 3.46Å; W349-R353 WeakPolarHBondContact CA-O 3.1Å; W349-R354 HydrophobicContact CE3-CG 4.43Å; W349-R354 HydrophobicContact CH2-CG 3.78Å; W349-R354 HydrophobicContact CZ2-CG 4.06Å; W349-R354 HydrophobicContact CZ3-CG 4Å |
| 350 | N | 93 | Very high | 93 | Very high | 71 Ų | 71 | 29.6 Ų | 29.6 | 38% | 0.38 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 120 | 173.3 | -173 | 41.7 | 0 | 0 | 0 | 109.3 | Q144 D352 R353 | Q144-N350 PolarHBondContact NE2-OD1 3.46Å; Q144-N350 PolarHBondContact OE1-OD1 3.05Å; N350-D352 PolarHBondContact O-N 3.16Å; N350-R353 PolarHBondContact N-O 3.26Å; N350-R353 WeakPolarHBondContact O-CB 3.27Å; N350-R353 PolarHBondContact O-N 3.29Å |
| 351 | E | 88.5 | Confident | 93.4 | Very high | 76 Ų | 76 | 27.3 Ų | 27.3 | 36% | 0.355 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 55.9 | -178.5 | -58.9 | -168.7 | 160.4 | 0 | 0 | 113.3 | M142 R143 R353 | M142-E351 HydrophobicContact SD-CB 4.22Å; R143-E351 PolarHBondContact O-N 3.12Å; E351-R353 VanDerWaalsContact C-N 3.26Å; E351-R353 PolarHBondContact O-N 2.92Å |
| 352 | D | 87.7 | Confident | 93.7 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 7.9 | -176.8 | -68.5 | -46.8 | 0 | 0 | 0 | 116.6 | R143 S298 S304 N350 | R143-D352 WeakPolarHBondContact CB-OD1 3.35Å; R143-D352 WeakPolarHBondContact CG-OD1 3.2Å; R143-D352 IonicContact CZ-OD1 3.8Å; R143-D352 PolarHBondContact N-OD1 3.45Å; R143-D352 IonicContact NE-OD1 2.85Å; R143-D352 PolarHBondContact NE-OD1 2.95Å; R143-D352 IonicContact NH2-OD1 3.32Å; R143-D352 PolarHBondContact O-N 3.46Å; S298-D352 WeakPolarHBondContact CB-OD2 3.45Å; S298-D352 PolarHBondContact OG-OD2 3.27Å; S304-D352 WeakPolarHBondContact CB-O 3.46Å; S304-D352 PolarHBondContact OG-O 3.3Å; N350-D352 PolarHBondContact O-N 3.16Å |
| 353 | R | 88.6 | Confident | 93.8 | Very high | 58 Ų | 58 | 30 Ų | 30 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137 | -178.4 | -54.8 | -179 | -171.7 | 122.4 | -4 | 112.4 | W349 N350 E351 S355 N374 N375 | W349-R353 CarbonylContact C-O 3.46Å; W349-R353 WeakPolarHBondContact CA-O 3.1Å; N350-R353 PolarHBondContact N-O 3.26Å; N350-R353 WeakPolarHBondContact O-CB 3.27Å; N350-R353 PolarHBondContact O-N 3.29Å; E351-R353 VanDerWaalsContact C-N 3.26Å; E351-R353 PolarHBondContact O-N 2.92Å; R353-S355 PolarHBondContact O-N 2.99Å; R353-S355 PolarHBondContact O-OG 3.25Å; R353-N374 WeakPolarHBondContact CD-OD1 3.39Å; R353-N374 PolarHBondContact NH1-OD1 3.41Å; R353-N375 WeakPolarHBondContact CA-OD1 3.48Å |
| 354 | R | 92.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 120.2 | 167 | -56.6 | 179.8 | -98.1 | -163.2 | -10.1 | 108.5 | E343 Y345 W349 W372 N374 N375 | E343-R354 IonicContact OE1-CZ 3.62Å; E343-R354 IonicContact OE1-NH1 3.36Å; E343-R354 PolarHBondContact OE1-NH1 3.23Å; E343-R354 IonicContact OE1-NH2 2.91Å; Y345-R354 HydrophobicContact CD1-CG 3.85Å; Y345-R354 VanDerWaalsContact CD2-CD 3.46Å; Y345-R354 HydrophobicContact CD2-CG 4.15Å; Y345-R354 HydrophobicContact CE1-CB 4.11Å; Y345-R354 HydrophobicContact CE1-CG 3.67Å; Y345-R354 HydrophobicContact CE2-CB 4.1Å; Y345-R354 HydrophobicContact CE2-CG 4Å; Y345-R354 HydrophobicContact CG-CG 4.06Å; W349-R354 HydrophobicContact CE3-CG 4.43Å; W349-R354 HydrophobicContact CH2-CG 3.78Å; W349-R354 HydrophobicContact CZ2-CG 4.06Å; W349-R354 HydrophobicContact CZ3-CG 4Å; R354-W372 HydrophobicContact CB-CB 4.32Å; R354-W372 HydrophobicContact CB-CD2 4.27Å; R354-W372 HydrophobicContact CB-CE3 4.11Å; R354-W372 HydrophobicContact CB-CG 4.38Å; R354-N374 PolarHBondContact O-N 3.4Å; R354-N375 PolarHBondContact N-OD1 2.95Å; R354-N375 PolarHBondContact O-N 3.36Å |
| 355 | S | 92.9 | Very high | 93.4 | Very high | 13 Ų | 13 | 33 Ų | 33 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 151 | -172.1 | -56.2 | 0 | 0 | 0 | 0 | 109.1 | Q348 R353 W372 | Q348-S355 CarbonylContact C-O 3.43Å; Q348-S355 VanDerWaalsContact C-O 3.27Å; Q348-S355 WeakPolarHBondContact CB-O 3.14Å; Q348-S355 PolarHBondContact O-N 3.49Å; R353-S355 PolarHBondContact O-N 2.99Å; R353-S355 PolarHBondContact O-OG 3.25Å; S355-W372 CarbonylContact C-O 3.49Å; S355-W372 VanDerWaalsContact CA-O 3.26Å; S355-W372 WeakPolarHBondContact CA-O 3.5Å |
| 356 | G | 96.8 | Very high | 93.1 | Very high | 28 Ų | 28 | 34 Ų | 34 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.2 | -143.5 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | E371 W372 | G356-E371 CarbonylContact O-C 3.55Å; G356-E371 WeakPolarHBondContact O-CA 3.31Å; G356-W372 PolarHBondContact N-O 2.86Å; G356-W372 WeakPolarHBondContact O-CB 3.4Å; G356-W372 PolarHBondContact O-N 3.31Å |
| 357 | Y | 98.3 | Very high | 93 | Very high | 70 Ų | 70 | 36.1 Ų | 36.1 | 28% | 0.275 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 136.9 | -174.3 | -61.7 | -78 | 0 | 0 | 0 | 112.4 | Q348 E371 A425 N428 | Q348-Y357 PolarHBondContact N-O 2.89Å; Q348-Y357 VanDerWaalsContact N-O 3.07Å; Y357-E371 HydrophobicContact CD1-CG 3.71Å; Y357-E371 HydrophobicContact CE1-CG 3.32Å; Y357-A425 HydrophobicContact CE1-CB 4.14Å; Y357-N428 HydrophobicContact CD1-CB 3.69Å; Y357-N428 HydrophobicContact CD2-CB 4.16Å; Y357-N428 HydrophobicContact CE1-CB 3.85Å; Y357-N428 HydrophobicContact CE2-CB 4.29Å; Y357-N428 HydrophobicContact CG-CB 3.86Å |
| 358 | G | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | 166.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S346 G370 W372 | S346-G358 WeakPolarHBondContact O-CA 3.44Å; G358-G370 PolarHBondContact N-O 2.89Å; G358-G370 PolarHBondContact O-N 3.07Å; G358-W372 PolarHBondContact O-NE1 3Å |
| 359 | V | 97.4 | Very high | 93 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.6 | -178.6 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | Y345 S346 E361 R367 Y368 A369 A429 E430 A433 | Y345-V359 CarbonylContact C-O 3.52Å; Y345-V359 WeakPolarHBondContact CA-O 3.41Å; Y345-V359 WeakPolarHBondContact CD2-O 3.47Å; S346-V359 PolarHBondContact N-O 3.33Å; S346-V359 PolarHBondContact O-N 2.93Å; V359-E361 HydrophobicContact CG1-CG 3.86Å; V359-E361 WeakPolarHBondContact CG1-OE1 3.44Å; V359-R367 HydrophobicContact CG1-CG 4.16Å; V359-Y368 CarbonylContact C-O 3.53Å; V359-Y368 VanDerWaalsContact CA-O 3.25Å; V359-Y368 WeakPolarHBondContact CA-O 3.37Å; V359-A369 HydrophobicContact CG2-CB 3.91Å; V359-A429 HydrophobicContact CG2-CB 4.27Å; V359-E430 HydrophobicContact CG2-CG 4.32Å; V359-A433 HydrophobicContact CB-CB 3.81Å; V359-A433 HydrophobicContact CG2-CB 3.61Å |
| 360 | A | 95.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | T310 T344 Y345 R367 Y368 W372 | T310-A360 HydrophobicContact CG2-CB 4.1Å; T344-A360 CarbonylContact O-C 3.48Å; T344-A360 WeakPolarHBondContact O-CA 3.24Å; Y345-A360 HydrophobicContact CD2-CB 4.12Å; A360-R367 CarbonylContact O-C 2.86Å; A360-R367 VanDerWaalsContact O-CA 3.22Å; A360-R367 WeakPolarHBondContact O-CA 3.33Å; A360-Y368 PolarHBondContact N-O 3.4Å; A360-Y368 PolarHBondContact O-N 3Å; A360-W372 HydrophobicContact CB-CH2 3.88Å; A360-W372 HydrophobicContact CB-CZ2 3.55Å |
| 361 | E | 93.7 | Very high | 93.3 | Very high | 78 Ų | 78 | 31.6 Ų | 31.6 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.4 | -178.8 | -78 | 167.9 | -169.9 | 0 | 0 | 109.5 | E343 T344 V359 R367 | E343-E361 CarbonylContact C-O 3.4Å; E343-E361 WeakPolarHBondContact CA-O 3.33Å; T344-E361 PolarHBondContact N-O 3.18Å; T344-E361 PolarHBondContact O-N 2.95Å; V359-E361 HydrophobicContact CG1-CG 3.86Å; V359-E361 WeakPolarHBondContact CG1-OE1 3.44Å; E361-R367 HydrophobicContact CG-CB 4.04Å; E361-R367 HydrophobicContact CG-CG 3.59Å; E361-R367 WeakPolarHBondContact OE1-CD 3.48Å; E361-R367 IonicContact OE1-CZ 3.98Å; E361-R367 IonicContact OE1-NE 3.76Å; E361-R367 PolarHBondContact OE1-NE 3.27Å; E361-R367 IonicContact OE1-NH2 3.77Å |
| 362 | R | 91.5 | Very high | 93.7 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 145.8 | 177.1 | -165.2 | 170.3 | 69.4 | 176.4 | 4.4 | 109 | T311 V341 T342 D364 G365 L366 | T311-R362 VanDerWaalsContact CG2-NH1 3.33Å; V341-R362 HydrophobicContact CG1-CG 3.34Å; T342-R362 CarbonylContact O-C 3.55Å; T342-R362 VanDerWaalsContact O-CA 3.31Å; T342-R362 WeakPolarHBondContact O-CA 3.24Å; T342-R362 WeakPolarHBondContact O-CG 3.42Å; R362-D364 VanDerWaalsContact CB-OD1 3.27Å; R362-D364 WeakPolarHBondContact CB-OD1 3.49Å; R362-D364 WeakPolarHBondContact CG-OD1 3.4Å; R362-D364 IonicContact CZ-OD1 2.77Å; R362-D364 IonicContact CZ-OD2 3.15Å; R362-D364 IonicContact NE-OD1 3.25Å; R362-D364 PolarHBondContact NE-OD1 3.17Å; R362-D364 IonicContact NE-OD2 3.48Å; R362-D364 PolarHBondContact NE-OD2 3.14Å; R362-D364 IonicContact NH2-OD1 3.79Å; R362-D364 IonicContact NH2-OD2 2.66Å; R362-D364 PolarHBondContact NH2-OD2 3.39Å; R362-D364 PolarHBondContact O-N 3.38Å; R362-D364 VanDerWaalsContact O-N 3.09Å; R362-G365 PolarHBondContact O-N 3.05Å; R362-L366 HydrophobicContact CB-CB 4.01Å; R362-L366 WeakPolarHBondContact CB-O 3.28Å; R362-L366 PolarHBondContact N-O 3.12Å |
| 363 | S | 90 | Very high | 94 | Very high | 74 Ų | 74 | 33.8 Ų | 33.8 | 52% | 0.517 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -11.4 | -174 | 62.9 | 0 | 0 | 0 | 0 | 114.7 | V341 T342 | V341-S363 VanDerWaalsContact CA-OG 3.32Å; V341-S363 WeakPolarHBondContact CA-OG 3.04Å; T342-S363 PolarHBondContact N-OG 3.35Å; T342-S363 PolarHBondContact O-N 2.74Å |
| 364 | D | 87.8 | Confident | 94.1 | Very high | 55 Ų | 55 | 33.9 Ų | 33.9 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -0.3 | 172.5 | 67.2 | -13.9 | 0 | 0 | 0 | 113.4 | V341 R362 L366 T386 | V341-D364 HydrophobicContact CG2-CB 4.4Å; R362-D364 VanDerWaalsContact CB-OD1 3.27Å; R362-D364 WeakPolarHBondContact CB-OD1 3.49Å; R362-D364 WeakPolarHBondContact CG-OD1 3.4Å; R362-D364 IonicContact CZ-OD1 2.77Å; R362-D364 IonicContact CZ-OD2 3.15Å; R362-D364 IonicContact NE-OD1 3.25Å; R362-D364 PolarHBondContact NE-OD1 3.17Å; R362-D364 IonicContact NE-OD2 3.48Å; R362-D364 PolarHBondContact NE-OD2 3.14Å; R362-D364 IonicContact NH2-OD1 3.79Å; R362-D364 IonicContact NH2-OD2 2.66Å; R362-D364 PolarHBondContact NH2-OD2 3.39Å; R362-D364 PolarHBondContact O-N 3.38Å; R362-D364 VanDerWaalsContact O-N 3.09Å; D364-L366 PolarHBondContact OD1-N 3.41Å; D364-L366 VanDerWaalsContact OD1-N 3.15Å; D364-T386 HydrophobicContact CB-CG2 4.27Å; D364-T386 WeakPolarHBondContact O-CG2 3.03Å |
| 365 | G | 87.6 | Confident | 94 | Very high | 43 Ų | 43 | 34.3 Ų | 34.3 | 44% | 0.443 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 103.6 | -8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R362 R367 | R362-G365 PolarHBondContact O-N 3.05Å; G365-R367 PolarHBondContact O-N 3.45Å |
| 366 | L | 90.6 | Very high | 93.8 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | trans | -65.7 | 120.1 | 174.7 | -175.1 | 79.4 | 0 | 0 | 0 | 109.6 | R362 D364 T383 Y384 T386 | R362-L366 HydrophobicContact CB-CB 4.01Å; R362-L366 WeakPolarHBondContact CB-O 3.28Å; R362-L366 PolarHBondContact N-O 3.12Å; D364-L366 PolarHBondContact OD1-N 3.41Å; D364-L366 VanDerWaalsContact OD1-N 3.15Å; L366-T383 HydrophobicContact CD1-CG2 4.18Å; L366-Y384 WeakPolarHBondContact CA-O 3.32Å; L366-T386 HydrophobicContact CB-CG2 4.14Å | ||
| 367 | R | 94.3 | Very high | 93.7 | Very high | 49 Ų | 49 | 36 Ų | 36 | 19% | 0.185 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 144.1 | 179.4 | 175.4 | 177.4 | -172.1 | -97.4 | 5.1 | 111.1 | V359 A360 E361 G365 T383 Y384 E430 | V359-R367 HydrophobicContact CG1-CG 4.16Å; A360-R367 CarbonylContact O-C 2.86Å; A360-R367 VanDerWaalsContact O-CA 3.22Å; A360-R367 WeakPolarHBondContact O-CA 3.33Å; E361-R367 HydrophobicContact CG-CB 4.04Å; E361-R367 HydrophobicContact CG-CG 3.59Å; E361-R367 WeakPolarHBondContact OE1-CD 3.48Å; E361-R367 IonicContact OE1-CZ 3.98Å; E361-R367 IonicContact OE1-NE 3.76Å; E361-R367 PolarHBondContact OE1-NE 3.27Å; E361-R367 IonicContact OE1-NH2 3.77Å; G365-R367 PolarHBondContact O-N 3.45Å; R367-T383 CarbonylContact O-C 3.59Å; R367-T383 WeakPolarHBondContact O-CA 3.06Å; R367-Y384 HydrophobicContact CB-CD2 3.96Å; R367-Y384 HydrophobicContact CB-CG 4.41Å; R367-Y384 HydrophobicContact CG-CD2 3.86Å; R367-Y384 HydrophobicContact CG-CE2 4.4Å; R367-Y384 PolarHBondContact N-O 2.92Å; R367-Y384 PolarHBondContact O-N 3.44Å; R367-E430 IonicContact CZ-OE1 2.83Å; R367-E430 IonicContact NH1-OE1 2.93Å; R367-E430 PolarHBondContact NH1-OE1 3.35Å; R367-E430 IonicContact NH2-OE1 3.33Å; R367-E430 PolarHBondContact NH2-OE1 3.11Å |
| 368 | Y | 96 | Very high | 93.4 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 128.6 | 166.6 | 172.8 | -95.6 | 0 | 0 | 0 | 109.6 | V359 A360 E371 W372 K377 T382 T383 Y395 | V359-Y368 CarbonylContact C-O 3.53Å; V359-Y368 VanDerWaalsContact CA-O 3.25Å; V359-Y368 WeakPolarHBondContact CA-O 3.37Å; A360-Y368 PolarHBondContact N-O 3.4Å; A360-Y368 PolarHBondContact O-N 3Å; Y368-E371 WeakPolarHBondContact CE1-O 3.22Å; Y368-E371 PolarHBondContact OH-O 2.94Å; Y368-W372 HydrophobicContact CD1-CD2 4.48Å; Y368-W372 AromaticContact CD1-CE2 3.47Å; Y368-W372 VanDerWaalsContact CD1-CE2 3.47Å; Y368-W372 HydrophobicContact CD1-CH2 4.09Å; Y368-W372 AromaticContact CD1-CZ2 3.28Å; Y368-W372 HydrophobicContact CD1-CZ2 3.28Å; Y368-W372 AromaticContact CD1-NE1 3.56Å; Y368-W372 HydrophobicContact CE1-CD2 4.21Å; Y368-W372 AromaticContact CE1-CE2 3.56Å; Y368-W372 AromaticContact CE1-CZ2 3.84Å; Y368-W372 HydrophobicContact CE1-CZ2 3.84Å; Y368-W372 AromaticContact CE1-NE1 3.44Å; Y368-W372 HydrophobicContact CG-CZ2 4.24Å; Y368-K377 HydrophobicContact CD1-CD 4.43Å; Y368-K377 HydrophobicContact CD1-CG 4.03Å; Y368-K377 HydrophobicContact CD2-CD 3.6Å; Y368-K377 HydrophobicContact CD2-CG 4.01Å; Y368-K377 HydrophobicContact CE1-CB 4.14Å; Y368-K377 HydrophobicContact CE1-CG 3.87Å; Y368-K377 HydrophobicContact CE2-CB 4Å; Y368-K377 HydrophobicContact CE2-CD 3.74Å; Y368-K377 HydrophobicContact CE2-CG 3.86Å; Y368-K377 HydrophobicContact CG-CD 3.94Å; Y368-K377 HydrophobicContact CG-CG 4.05Å; Y368-T382 WeakPolarHBondContact CA-O 3.48Å; Y368-T382 WeakPolarHBondContact CD2-O 3.46Å; Y368-T383 WeakPolarHBondContact CD2-OG1 3.41Å; Y368-Y395 AromaticContact CE2-CD2 3.9Å; Y368-Y395 HydrophobicContact CE2-CD2 3.9Å; Y368-Y395 AromaticContact CE2-CE2 3.78Å; Y368-Y395 HydrophobicContact CE2-CE2 3.78Å; Y368-Y395 HydrophobicContact CE2-CG 4.39Å |
| 369 | A | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | V359 G381 T382 Y384 V426 A429 | V359-A369 HydrophobicContact CG2-CB 3.91Å; A369-G381 CarbonylContact O-C 3.49Å; A369-G381 VanDerWaalsContact O-CA 3.25Å; A369-G381 WeakPolarHBondContact O-CA 3.38Å; A369-T382 PolarHBondContact N-O 2.94Å; A369-T382 PolarHBondContact O-N 3.44Å; A369-Y384 HydrophobicContact CB-CE2 4.46Å; A369-V426 HydrophobicContact CB-CG1 4.15Å; A369-A429 HydrophobicContact CB-CB 4.42Å |
| 370 | G | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.2 | -152.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | G358 Y380 A429 | G358-G370 PolarHBondContact N-O 2.89Å; G358-G370 PolarHBondContact O-N 3.07Å; G370-Y380 WeakPolarHBondContact CA-O 3.24Å; G370-A429 VanDerWaalsContact N-CB 3.28Å |
| 371 | E | 97.7 | Very high | 93.4 | Very high | 49 Ų | 49 | 38 Ų | 38 | 23% | 0.229 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 149.2 | 178.9 | -74.6 | 172.6 | -115.9 | 0 | 0 | 112.4 | G356 Y357 Y368 D378 G379 Y380 | G356-E371 CarbonylContact O-C 3.55Å; G356-E371 WeakPolarHBondContact O-CA 3.31Å; Y357-E371 HydrophobicContact CD1-CG 3.71Å; Y357-E371 HydrophobicContact CE1-CG 3.32Å; Y368-E371 WeakPolarHBondContact CE1-O 3.22Å; Y368-E371 PolarHBondContact OH-O 2.94Å; E371-D378 CarbonylContact C-O 3.5Å; E371-D378 WeakPolarHBondContact CA-O 3.15Å; E371-D378 WeakPolarHBondContact CB-O 3.42Å; E371-D378 PolarHBondContact O-N 3.35Å; E371-G379 WeakPolarHBondContact OE2-CA 3.48Å; E371-Y380 PolarHBondContact N-O 3.38Å; E371-Y380 PolarHBondContact OE1-N 3.08Å |
| 372 | W | 95.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 144 | -179.7 | -68.2 | 82.8 | 0 | 0 | 0 | 109.6 | T310 Y345 R354 S355 G356 G358 A360 Y368 K376 K377 | T310-W372 HydrophobicContact CG2-CH2 3.89Å; T310-W372 HydrophobicContact CG2-CZ3 4.49Å; Y345-W372 HydrophobicContact CD2-CZ2 4.2Å; Y345-W372 AromaticContact CE2-CD1 3.98Å; Y345-W372 HydrophobicContact CE2-CD2 4.08Å; Y345-W372 AromaticContact CE2-CE2 3.67Å; Y345-W372 HydrophobicContact CE2-CG 4.24Å; Y345-W372 HydrophobicContact CE2-CZ2 4.08Å; Y345-W372 AromaticContact CE2-NE1 3.62Å; R354-W372 HydrophobicContact CB-CB 4.32Å; R354-W372 HydrophobicContact CB-CD2 4.27Å; R354-W372 HydrophobicContact CB-CE3 4.11Å; R354-W372 HydrophobicContact CB-CG 4.38Å; S355-W372 CarbonylContact C-O 3.49Å; S355-W372 VanDerWaalsContact CA-O 3.26Å; S355-W372 WeakPolarHBondContact CA-O 3.5Å; G356-W372 PolarHBondContact N-O 2.86Å; G356-W372 WeakPolarHBondContact O-CB 3.4Å; G356-W372 PolarHBondContact O-N 3.31Å; G358-W372 PolarHBondContact O-NE1 3Å; A360-W372 HydrophobicContact CB-CH2 3.88Å; A360-W372 HydrophobicContact CB-CZ2 3.55Å; Y368-W372 HydrophobicContact CD1-CD2 4.48Å; Y368-W372 AromaticContact CD1-CE2 3.47Å; Y368-W372 VanDerWaalsContact CD1-CE2 3.47Å; Y368-W372 HydrophobicContact CD1-CH2 4.09Å; Y368-W372 AromaticContact CD1-CZ2 3.28Å; Y368-W372 HydrophobicContact CD1-CZ2 3.28Å; Y368-W372 AromaticContact CD1-NE1 3.56Å; Y368-W372 HydrophobicContact CE1-CD2 4.21Å; Y368-W372 AromaticContact CE1-CE2 3.56Å; Y368-W372 AromaticContact CE1-CZ2 3.84Å; Y368-W372 HydrophobicContact CE1-CZ2 3.84Å; Y368-W372 AromaticContact CE1-NE1 3.44Å; Y368-W372 HydrophobicContact CG-CZ2 4.24Å; W372-K376 CarbonylContact C-O 3.41Å; W372-K376 WeakPolarHBondContact CA-O 3.41Å; W372-K377 HydrophobicContact CH2-CG 4.35Å; W372-K377 HydrophobicContact CZ3-CG 4.35Å |
| 373 | F | 94.1 | Very high | 93.7 | Very high | 117 Ų | 117 | 32.6 Ų | 32.6 | 51% | 0.513 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 123.7 | 169.5 | -174.9 | -113.1 | 0 | 0 | 0 | 110.2 | N375 K376 D378 | F373-N375 VanDerWaalsContact C-N 3.32Å; F373-N375 PolarHBondContact O-N 3.46Å; F373-K376 PolarHBondContact N-O 2.97Å; F373-K376 WeakPolarHBondContact O-CB 3.4Å; F373-K376 PolarHBondContact O-N 2.92Å; F373-D378 HydrophobicContact CB-CB 3.6Å |
| 374 | N | 90.2 | Very high | 93.9 | Very high | 60 Ų | 60 | 32.2 Ų | 32.2 | 32% | 0.321 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 47.4 | 177.5 | -70.7 | -37.8 | 0 | 0 | 0 | 113.7 | R353 R354 K376 | R353-N374 WeakPolarHBondContact CD-OD1 3.39Å; R353-N374 PolarHBondContact NH1-OD1 3.41Å; R354-N374 PolarHBondContact O-N 3.4Å; N374-K376 PolarHBondContact O-N 3.43Å |
| 375 | N | 90.4 | Very high | 94 | Very high | 9 Ų | 9 | 32.1 Ų | 32.1 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 10.4 | -176.4 | -57 | -47.5 | 0 | 0 | 0 | 115.9 | S304 I309 R353 R354 F373 | S304-N375 PolarHBondContact OG-ND2 3.24Å; I309-N375 HydrophobicContact CG2-CB 3.99Å; I309-N375 WeakPolarHBondContact CG2-O 3.22Å; R353-N375 WeakPolarHBondContact CA-OD1 3.48Å; R354-N375 PolarHBondContact N-OD1 2.95Å; R354-N375 PolarHBondContact O-N 3.36Å; F373-N375 VanDerWaalsContact C-N 3.32Å; F373-N375 PolarHBondContact O-N 3.46Å |
| 376 | K | 90.2 | Very high | 94 | Very high | 75 Ų | 75 | 33 Ų | 33 | 33% | 0.326 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 148.3 | 175.1 | -56.3 | -176.1 | -176.7 | -178.7 | 0 | 110.2 | W372 F373 N374 D378 E397 N398 | W372-K376 CarbonylContact C-O 3.41Å; W372-K376 WeakPolarHBondContact CA-O 3.41Å; F373-K376 PolarHBondContact N-O 2.97Å; F373-K376 WeakPolarHBondContact O-CB 3.4Å; F373-K376 PolarHBondContact O-N 2.92Å; N374-K376 PolarHBondContact O-N 3.43Å; K376-D378 PolarHBondContact O-N 3.08Å; K376-E397 HydrophobicContact CD-CB 3.84Å; K376-E397 HydrophobicContact CD-CG 4.18Å; K376-E397 IonicContact NZ-OE2 3.95Å; K376-E397 PolarHBondContact NZ-OE2 3.04Å; K376-N398 VanDerWaalsContact CA-OD1 3.24Å; K376-N398 WeakPolarHBondContact CA-OD1 3.42Å |
| 377 | K | 93.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.013 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 124 | 164.7 | -53.7 | 174.6 | 179.6 | -179.4 | 0 | 107.4 | Y368 W372 T383 Y395 E397 N398 | Y368-K377 HydrophobicContact CD1-CD 4.43Å; Y368-K377 HydrophobicContact CD1-CG 4.03Å; Y368-K377 HydrophobicContact CD2-CD 3.6Å; Y368-K377 HydrophobicContact CD2-CG 4.01Å; Y368-K377 HydrophobicContact CE1-CB 4.14Å; Y368-K377 HydrophobicContact CE1-CG 3.87Å; Y368-K377 HydrophobicContact CE2-CB 4Å; Y368-K377 HydrophobicContact CE2-CD 3.74Å; Y368-K377 HydrophobicContact CE2-CG 3.86Å; Y368-K377 HydrophobicContact CG-CD 3.94Å; Y368-K377 HydrophobicContact CG-CG 4.05Å; W372-K377 HydrophobicContact CH2-CG 4.35Å; W372-K377 HydrophobicContact CZ3-CG 4.35Å; K377-T383 PolarHBondContact NZ-OG1 3.45Å; K377-Y395 HydrophobicContact CB-CD1 3.98Å; K377-Y395 HydrophobicContact CB-CG 4.02Å; K377-Y395 HydrophobicContact CD-CD1 4.07Å; K377-Y395 HydrophobicContact CD-CE1 4.03Å; K377-E397 PolarHBondContact O-N 3.37Å; K377-N398 PolarHBondContact N-OD1 3.1Å; K377-N398 PolarHBondContact O-N 2.9Å |
| 378 | D | 92.7 | Very high | 93.3 | Very high | 44 Ų | 44 | 37.9 Ų | 37.9 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 162.5 | -179 | -152.4 | 65.2 | 0 | 0 | 0 | 107.7 | E371 F373 K376 Y395 K396 E397 | E371-D378 CarbonylContact C-O 3.5Å; E371-D378 WeakPolarHBondContact CA-O 3.15Å; E371-D378 WeakPolarHBondContact CB-O 3.42Å; E371-D378 PolarHBondContact O-N 3.35Å; F373-D378 HydrophobicContact CB-CB 3.6Å; K376-D378 PolarHBondContact O-N 3.08Å; D378-Y395 CarbonylContact C-O 3.42Å; D378-K396 WeakPolarHBondContact OD1-CA 3.25Å; D378-E397 PolarHBondContact OD1-N 3.39Å; D378-E397 VanDerWaalsContact OD1-N 3.16Å |
| 379 | G | 96.1 | Very high | 93 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.6 | -147.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E371 R394 Y395 | E371-G379 WeakPolarHBondContact OE2-CA 3.48Å; G379-R394 CarbonylContact O-C 3.47Å; G379-R394 VanDerWaalsContact O-CA 3.28Å; G379-R394 WeakPolarHBondContact O-CA 3.49Å; G379-R394 WeakPolarHBondContact O-CG 3.38Å; G379-Y395 PolarHBondContact N-O 3.45Å; G379-Y395 PolarHBondContact O-N 2.82Å |
| 380 | Y | 97.5 | Very high | 92.7 | Very high | 66 Ų | 66 | 45.5 Ų | 45.5 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 146 | 179.8 | -56.5 | -81.7 | 0 | 0 | 0 | 112.1 | G370 E371 R394 L418 A421 I422 A425 | G370-Y380 WeakPolarHBondContact CA-O 3.24Å; E371-Y380 PolarHBondContact N-O 3.38Å; E371-Y380 PolarHBondContact OE1-N 3.08Å; Y380-R394 HydrophobicContact CD1-CB 3.89Å; Y380-R394 HydrophobicContact CD1-CG 4.09Å; Y380-R394 HydrophobicContact CE1-CB 3.88Å; Y380-R394 HydrophobicContact CE1-CG 3.92Å; Y380-L418 HydrophobicContact CD1-CD1 3.9Å; Y380-L418 HydrophobicContact CE1-CD1 3.61Å; Y380-A421 HydrophobicContact CD1-CB 4.29Å; Y380-A421 HydrophobicContact CD2-CB 4.2Å; Y380-A421 HydrophobicContact CE1-CB 4.29Å; Y380-A421 HydrophobicContact CE2-CB 4.18Å; Y380-A421 HydrophobicContact CG-CB 4.24Å; Y380-I422 HydrophobicContact CD1-CG1 4.13Å; Y380-A425 WeakPolarHBondContact O-CB 3.47Å |
| 381 | G | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.5 | -177.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A369 G393 | A369-G381 CarbonylContact O-C 3.49Å; A369-G381 VanDerWaalsContact O-CA 3.25Å; A369-G381 WeakPolarHBondContact O-CA 3.38Å; G381-G393 PolarHBondContact N-O 3.41Å; G381-G393 PolarHBondContact O-N 3.08Å; G381-G393 VanDerWaalsContact O-O 3.13Å |
| 382 | T | 96.7 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 125.1 | -178.9 | -60.1 | 0 | 0 | 0 | 0 | 110.1 | Y368 A369 Y384 K390 E391 E392 V426 | Y368-T382 WeakPolarHBondContact CA-O 3.48Å; Y368-T382 WeakPolarHBondContact CD2-O 3.46Å; A369-T382 PolarHBondContact N-O 2.94Å; A369-T382 PolarHBondContact O-N 3.44Å; T382-Y384 HydrophobicContact CG2-CD1 4.38Å; T382-Y384 HydrophobicContact CG2-CD2 4.09Å; T382-Y384 HydrophobicContact CG2-CE1 3.94Å; T382-Y384 HydrophobicContact CG2-CE2 3.59Å; T382-Y384 HydrophobicContact CG2-CG 4.45Å; T382-K390 HydrophobicContact CG2-CB 4.22Å; T382-E391 WeakPolarHBondContact CA-O 3.29Å; T382-E392 HydrophobicContact CG2-CG 3.64Å; T382-V426 WeakPolarHBondContact OG1-CG2 3.3Å |
| 383 | T | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.1 | 166.1 | -57.1 | 0 | 0 | 0 | 0 | 108.7 | L366 R367 Y368 K377 K390 E391 Y395 | L366-T383 HydrophobicContact CD1-CG2 4.18Å; R367-T383 CarbonylContact O-C 3.59Å; R367-T383 WeakPolarHBondContact O-CA 3.06Å; Y368-T383 WeakPolarHBondContact CD2-OG1 3.41Å; K377-T383 PolarHBondContact NZ-OG1 3.45Å; T383-K390 CarbonylContact O-C 3.59Å; T383-K390 VanDerWaalsContact O-CA 3.24Å; T383-K390 WeakPolarHBondContact O-CA 3.29Å; T383-E391 PolarHBondContact N-O 3.21Å; T383-E391 PolarHBondContact O-N 3.49Å; T383-Y395 WeakPolarHBondContact CB-OH 3.05Å; T383-Y395 PolarHBondContact OG1-OH 3.33Å |
| 384 | Y | 93.6 | Very high | 92.2 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 26% | 0.259 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.8 | 170.3 | -51.6 | -99.3 | 0 | 0 | 0 | 107.2 | L366 R367 A369 T382 K390 | L366-Y384 WeakPolarHBondContact CA-O 3.32Å; R367-Y384 HydrophobicContact CB-CD2 3.96Å; R367-Y384 HydrophobicContact CB-CG 4.41Å; R367-Y384 HydrophobicContact CG-CD2 3.86Å; R367-Y384 HydrophobicContact CG-CE2 4.4Å; R367-Y384 PolarHBondContact N-O 2.92Å; R367-Y384 PolarHBondContact O-N 3.44Å; A369-Y384 HydrophobicContact CB-CE2 4.46Å; T382-Y384 HydrophobicContact CG2-CD1 4.38Å; T382-Y384 HydrophobicContact CG2-CD2 4.09Å; T382-Y384 HydrophobicContact CG2-CE1 3.94Å; T382-Y384 HydrophobicContact CG2-CE2 3.59Å; T382-Y384 HydrophobicContact CG2-CG 4.45Å; Y384-K390 HydrophobicContact CD1-CB 4.2Å; Y384-K390 HydrophobicContact CE1-CD 4.46Å |
| 385 | R | 90.2 | Very high | 92.4 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 161.2 | -179.7 | -67.3 | -170.9 | 175.7 | -156.8 | 2.9 | 110.4 | D387 G388 T389 E391 | R385-D387 WeakPolarHBondContact CB-OD1 3.19Å; R385-D387 PolarHBondContact O-N 2.9Å; R385-G388 PolarHBondContact O-N 2.99Å; R385-T389 WeakPolarHBondContact CB-O 3.2Å; R385-T389 VanDerWaalsContact CD-OG1 3.3Å; R385-T389 WeakPolarHBondContact CD-OG1 3.38Å; R385-T389 PolarHBondContact N-O 3.34Å; R385-E391 IonicContact CZ-OE1 3.81Å; R385-E391 IonicContact CZ-OE2 2.8Å; R385-E391 VanDerWaalsContact NE-CD 3.31Å; R385-E391 IonicContact NE-OE1 2.66Å; R385-E391 PolarHBondContact NE-OE1 3.03Å; R385-E391 IonicContact NE-OE2 3.47Å; R385-E391 PolarHBondContact NE-OE2 2.83Å; R385-E391 VanDerWaalsContact NE-OE2 3.15Å; R385-E391 IonicContact NH2-OE1 3.62Å; R385-E391 PolarHBondContact NH2-OE1 3.03Å; R385-E391 IonicContact NH2-OE2 3.62Å; R385-E391 PolarHBondContact NH2-OE2 2.86Å |
| 386 | T | 87.4 | Confident | 92.6 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.9 | 179.3 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | D364 L366 G388 | D364-T386 HydrophobicContact CB-CG2 4.27Å; D364-T386 WeakPolarHBondContact O-CG2 3.03Å; L366-T386 HydrophobicContact CB-CG2 4.14Å; T386-G388 PolarHBondContact O-N 2.76Å |
| 387 | D | 87.3 | Confident | 92.5 | Very high | 102 Ų | 102 | 51.1 Ų | 51.1 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -0.4 | 174.4 | 67.1 | -1 | 0 | 0 | 0 | 114.1 | R385 T389 | R385-D387 WeakPolarHBondContact CB-OD1 3.19Å; R385-D387 PolarHBondContact O-N 2.9Å; D387-T389 VanDerWaalsContact C-N 3.28Å; D387-T389 VanDerWaalsContact CG-OG1 3.29Å; D387-T389 PolarHBondContact O-N 3.15Å; D387-T389 VanDerWaalsContact OD1-CB 3.3Å; D387-T389 WeakPolarHBondContact OD1-CB 2.89Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.44Å; D387-T389 PolarHBondContact OD1-N 3.03Å; D387-T389 PolarHBondContact OD1-OG1 3.01Å; D387-T389 WeakPolarHBondContact OD2-CG2 3.2Å; D387-T389 PolarHBondContact OD2-OG1 3.11Å |
| 388 | G | 83.4 | Confident | 92.3 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 71% | 0.711 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 82.6 | -3.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R385 T386 | R385-G388 PolarHBondContact O-N 2.99Å; T386-G388 PolarHBondContact O-N 2.76Å |
| 389 | T | 89.4 | Confident | 92.2 | Very high | 67 Ų | 67 | 54 Ų | 54 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | trans | -72.5 | 155.5 | 172.2 | 68.5 | 0 | 0 | 0 | 0 | 110.6 | R385 D387 | R385-T389 WeakPolarHBondContact CB-O 3.2Å; R385-T389 VanDerWaalsContact CD-OG1 3.3Å; R385-T389 WeakPolarHBondContact CD-OG1 3.38Å; R385-T389 PolarHBondContact N-O 3.34Å; D387-T389 VanDerWaalsContact C-N 3.28Å; D387-T389 VanDerWaalsContact CG-OG1 3.29Å; D387-T389 PolarHBondContact O-N 3.15Å; D387-T389 VanDerWaalsContact OD1-CB 3.3Å; D387-T389 WeakPolarHBondContact OD1-CB 2.89Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.44Å; D387-T389 PolarHBondContact OD1-N 3.03Å; D387-T389 PolarHBondContact OD1-OG1 3.01Å; D387-T389 WeakPolarHBondContact OD2-CG2 3.2Å; D387-T389 PolarHBondContact OD2-OG1 3.11Å | ||
| 390 | K | 91.4 | Very high | 91.9 | Very high | 96 Ų | 96 | 56 Ų | 56 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.2 | 178.7 | 65.8 | 176.3 | -177.6 | 167.3 | 0 | 112.6 | T382 T383 Y384 E392 | T382-K390 HydrophobicContact CG2-CB 4.22Å; T383-K390 CarbonylContact O-C 3.59Å; T383-K390 VanDerWaalsContact O-CA 3.24Å; T383-K390 WeakPolarHBondContact O-CA 3.29Å; Y384-K390 HydrophobicContact CD1-CB 4.2Å; Y384-K390 HydrophobicContact CE1-CD 4.46Å; K390-E392 HydrophobicContact CD-CG 4.22Å; K390-E392 WeakPolarHBondContact CD-OE1 3.44Å; K390-E392 WeakPolarHBondContact CE-OE1 3.18Å; K390-E392 HydrophobicContact CG-CG 4.37Å; K390-E392 IonicContact NZ-OE1 2.68Å; K390-E392 PolarHBondContact NZ-OE1 2.82Å; K390-E392 IonicContact NZ-OE2 3.85Å |
| 391 | E | 91.7 | Very high | 91.7 | Very high | 54 Ų | 54 | 56.8 Ų | 56.8 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 99.4 | 179.7 | -66.4 | -177.6 | 137.5 | 0 | 0 | 109.4 | T382 T383 R385 Y395 L400 | T382-E391 WeakPolarHBondContact CA-O 3.29Å; T383-E391 PolarHBondContact N-O 3.21Å; T383-E391 PolarHBondContact O-N 3.49Å; R385-E391 IonicContact CZ-OE1 3.81Å; R385-E391 IonicContact CZ-OE2 2.8Å; R385-E391 VanDerWaalsContact NE-CD 3.31Å; R385-E391 IonicContact NE-OE1 2.66Å; R385-E391 PolarHBondContact NE-OE1 3.03Å; R385-E391 IonicContact NE-OE2 3.47Å; R385-E391 PolarHBondContact NE-OE2 2.83Å; R385-E391 VanDerWaalsContact NE-OE2 3.15Å; R385-E391 IonicContact NH2-OE1 3.62Å; R385-E391 PolarHBondContact NH2-OE1 3.03Å; R385-E391 IonicContact NH2-OE2 3.62Å; R385-E391 PolarHBondContact NH2-OE2 2.86Å; E391-Y395 PolarHBondContact O-OH 3.02Å; E391-L400 HydrophobicContact CB-CD2 4.24Å |
| 392 | E | 92.8 | Very high | 91.3 | Very high | 24 Ų | 24 | 61.2 Ų | 61.2 | 11% | 0.112 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 133.5 | -178.2 | -58.9 | -179.4 | 149.2 | 0 | 0 | 108.8 | T382 K390 L404 R406 I422 | T382-E392 HydrophobicContact CG2-CG 3.64Å; K390-E392 HydrophobicContact CD-CG 4.22Å; K390-E392 WeakPolarHBondContact CD-OE1 3.44Å; K390-E392 WeakPolarHBondContact CE-OE1 3.18Å; K390-E392 HydrophobicContact CG-CG 4.37Å; K390-E392 IonicContact NZ-OE1 2.68Å; K390-E392 PolarHBondContact NZ-OE1 2.82Å; K390-E392 IonicContact NZ-OE2 3.85Å; E392-L404 HydrophobicContact CB-CB 3.96Å; E392-L404 HydrophobicContact CB-CD2 4Å; E392-L404 WeakPolarHBondContact O-CB 3.15Å; E392-L404 PolarHBondContact O-N 2.67Å; E392-L404 WeakPolarHBondContact OE2-CD2 3.4Å; E392-R406 IonicContact OE1-NH2 3.16Å; E392-R406 PolarHBondContact OE1-NH2 3.24Å; E392-R406 IonicContact OE2-CZ 3.36Å; E392-R406 IonicContact OE2-NE 3.14Å; E392-R406 PolarHBondContact OE2-NE 2.83Å; E392-R406 VanDerWaalsContact OE2-NE 3.14Å; E392-R406 IonicContact OE2-NH2 3.87Å; E392-R406 PolarHBondContact OE2-NH2 3.06Å; E392-I422 HydrophobicContact CB-CD1 4.47Å; E392-I422 HydrophobicContact CB-CG2 4.36Å |
| 393 | G | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.1 | -164.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115 | G381 Q402 | G381-G393 PolarHBondContact N-O 3.41Å; G381-G393 PolarHBondContact O-N 3.08Å; G381-G393 VanDerWaalsContact O-O 3.13Å; G393-Q402 CarbonylContact C-O 3.6Å; G393-Q402 WeakPolarHBondContact CA-O 3.32Å |
| 394 | R | 95.3 | Very high | 90.5 | Very high | 116 Ų | 116 | 64.9 Ų | 64.9 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.6 | 173.4 | -168.1 | -178.9 | 178.5 | 178.2 | 2.9 | 110.2 | G379 Y380 V401 Q402 | G379-R394 CarbonylContact O-C 3.47Å; G379-R394 VanDerWaalsContact O-CA 3.28Å; G379-R394 WeakPolarHBondContact O-CA 3.49Å; G379-R394 WeakPolarHBondContact O-CG 3.38Å; Y380-R394 HydrophobicContact CD1-CB 3.89Å; Y380-R394 HydrophobicContact CD1-CG 4.09Å; Y380-R394 HydrophobicContact CE1-CB 3.88Å; Y380-R394 HydrophobicContact CE1-CG 3.92Å; R394-V401 HydrophobicContact CB-CG2 4.07Å; R394-V401 HydrophobicContact CG-CG2 4.01Å; R394-V401 WeakPolarHBondContact O-CG2 3.36Å; R394-V401 PolarHBondContact O-N 3.44Å; R394-Q402 HydrophobicContact CB-CB 3.97Å; R394-Q402 PolarHBondContact N-O 2.92Å; R394-Q402 PolarHBondContact O-N 3.4Å |
| 395 | Y | 94.5 | Very high | 89.8 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 148.3 | 174.5 | -68 | -96.1 | 0 | 0 | 0 | 110.9 | Y368 K377 D378 G379 T383 E391 I399 L400 | Y368-Y395 AromaticContact CE2-CD2 3.9Å; Y368-Y395 HydrophobicContact CE2-CD2 3.9Å; Y368-Y395 AromaticContact CE2-CE2 3.78Å; Y368-Y395 HydrophobicContact CE2-CE2 3.78Å; Y368-Y395 HydrophobicContact CE2-CG 4.39Å; K377-Y395 HydrophobicContact CB-CD1 3.98Å; K377-Y395 HydrophobicContact CB-CG 4.02Å; K377-Y395 HydrophobicContact CD-CD1 4.07Å; K377-Y395 HydrophobicContact CD-CE1 4.03Å; D378-Y395 CarbonylContact C-O 3.42Å; G379-Y395 PolarHBondContact N-O 3.45Å; G379-Y395 PolarHBondContact O-N 2.82Å; T383-Y395 WeakPolarHBondContact CB-OH 3.05Å; T383-Y395 PolarHBondContact OG1-OH 3.33Å; E391-Y395 PolarHBondContact O-OH 3.02Å; Y395-I399 CarbonylContact C-O 3.49Å; Y395-I399 VanDerWaalsContact CA-O 3.28Å; Y395-I399 WeakPolarHBondContact CA-O 3.33Å; Y395-L400 HydrophobicContact CD1-CB 4.33Å; Y395-L400 HydrophobicContact CD2-CD1 4.28Å; Y395-L400 HydrophobicContact CE1-CB 4.04Å; Y395-L400 HydrophobicContact CE1-CD1 4.22Å; Y395-L400 HydrophobicContact CE2-CD1 3.91Å |
| 396 | K | 93.7 | Very high | 89 | Confident | 128 Ų | 128 | 70.9 Ų | 70.9 | 56% | 0.557 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 117.6 | 166.4 | -172.4 | 175.7 | -179.6 | -179.6 | 0 | 108.4 | D378 N398 I399 V401 | D378-K396 WeakPolarHBondContact OD1-CA 3.25Å; K396-N398 PolarHBondContact O-N 2.86Å; K396-I399 PolarHBondContact N-O 3.2Å; K396-I399 WeakPolarHBondContact O-CB 3.47Å; K396-I399 PolarHBondContact O-N 3.38Å; K396-V401 HydrophobicContact CB-CG1 3.69Å; K396-V401 HydrophobicContact CB-CG2 4.24Å |
| 397 | E | 89.8 | Confident | 88.2 | Confident | 109 Ų | 109 | 77.3 Ų | 77.3 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 49.3 | -178.5 | -58.4 | -167.9 | -148.8 | 0 | 0 | 114.3 | K376 K377 D378 I399 | K376-E397 HydrophobicContact CD-CB 3.84Å; K376-E397 HydrophobicContact CD-CG 4.18Å; K376-E397 IonicContact NZ-OE2 3.95Å; K376-E397 PolarHBondContact NZ-OE2 3.04Å; K377-E397 PolarHBondContact O-N 3.37Å; D378-E397 PolarHBondContact OD1-N 3.39Å; D378-E397 VanDerWaalsContact OD1-N 3.16Å; E397-I399 PolarHBondContact O-N 3.23Å |
| 398 | N | 89.6 | Confident | 86.8 | Confident | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.027 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | -8.8 | -174.1 | -58 | -40.9 | 0 | 0 | 0 | 116.5 | N312 K376 K377 K396 | N312-N398 HydrophobicContact CB-CB 4.27Å; N312-N398 VanDerWaalsContact CB-ND2 3.32Å; N312-N398 WeakPolarHBondContact CB-ND2 3.15Å; N312-N398 VanDerWaalsContact O-CB 3.27Å; N312-N398 WeakPolarHBondContact O-CB 3.46Å; K376-N398 VanDerWaalsContact CA-OD1 3.24Å; K376-N398 WeakPolarHBondContact CA-OD1 3.42Å; K377-N398 PolarHBondContact N-OD1 3.1Å; K377-N398 PolarHBondContact O-N 2.9Å; K396-N398 PolarHBondContact O-N 2.86Å |
| 399 | I | 89.8 | Confident | 85.6 | Confident | 102 Ų | 102 | 80.1 Ų | 80.1 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 128.6 | 179.5 | -57.2 | 173.8 | 0 | 0 | 0 | 109.5 | Y395 K396 E397 V401 | Y395-I399 CarbonylContact C-O 3.49Å; Y395-I399 VanDerWaalsContact CA-O 3.28Å; Y395-I399 WeakPolarHBondContact CA-O 3.33Å; K396-I399 PolarHBondContact N-O 3.2Å; K396-I399 WeakPolarHBondContact O-CB 3.47Å; K396-I399 PolarHBondContact O-N 3.38Å; E397-I399 PolarHBondContact O-N 3.23Å; I399-V401 PolarHBondContact O-N 2.63Å; I399-V401 VanDerWaalsContact O-N 3.08Å |
| 400 | L | 90.6 | Very high | 83.7 | Confident | 52 Ų | 52 | 84.8 Ų | 84.8 | 27% | 0.272 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 99.3 | 171 | -178.1 | 61.4 | 0 | 0 | 0 | 109.4 | E391 Y395 A403 | E391-L400 HydrophobicContact CB-CD2 4.24Å; Y395-L400 HydrophobicContact CD1-CB 4.33Å; Y395-L400 HydrophobicContact CD2-CD1 4.28Å; Y395-L400 HydrophobicContact CE1-CB 4.04Å; Y395-L400 HydrophobicContact CE1-CD1 4.22Å; Y395-L400 HydrophobicContact CE2-CD1 3.91Å; L400-A403 HydrophobicContact CD2-CB 3.82Å; L400-A403 HydrophobicContact CG-CB 4.21Å |
| 401 | V | 92.1 | Very high | 81.9 | Confident | 82 Ų | 82 | 85.9 Ų | 85.9 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -28.1 | -177.4 | -67.6 | 0 | 0 | 0 | 0 | 113 | R394 K396 I399 | R394-V401 HydrophobicContact CB-CG2 4.07Å; R394-V401 HydrophobicContact CG-CG2 4.01Å; R394-V401 WeakPolarHBondContact O-CG2 3.36Å; R394-V401 PolarHBondContact O-N 3.44Å; K396-V401 HydrophobicContact CB-CG1 3.69Å; K396-V401 HydrophobicContact CB-CG2 4.24Å; I399-V401 PolarHBondContact O-N 2.63Å; I399-V401 VanDerWaalsContact O-N 3.08Å |
| 402 | Q | 89.1 | Confident | 80.4 | Confident | 92 Ų | 92 | 89.8 Ų | 89.8 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 101.3 | 179.1 | -171.5 | 178.1 | 8.8 | 0 | 0 | 109.9 | G393 R394 L418 | G393-Q402 CarbonylContact C-O 3.6Å; G393-Q402 WeakPolarHBondContact CA-O 3.32Å; R394-Q402 HydrophobicContact CB-CB 3.97Å; R394-Q402 PolarHBondContact N-O 2.92Å; R394-Q402 PolarHBondContact O-N 3.4Å; Q402-L418 HydrophobicContact CG-CD2 3.86Å |
| 403 | A | 90.2 | Very high | 78.9 | Confident | 60 Ų | 60 | 96.2 Ų | 96.2 | 50% | 0.496 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 142.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | L400 N405 | L400-A403 HydrophobicContact CD2-CB 3.82Å; L400-A403 HydrophobicContact CG-CB 4.21Å; A403-N405 PolarHBondContact O-N 3.28Å |
| 404 | L | 85 | Confident | 77.4 | Confident | 20 Ų | 20 | 105 Ų | 105 | 11% | 0.105 | 50% | 0.498 | C | S | . | . | trans | -81.2 | 94.2 | 172.3 | -170.8 | 79.9 | 0 | 0 | 0 | 109.6 | E392 R406 H415 L418 R419 I422 | E392-L404 HydrophobicContact CB-CB 3.96Å; E392-L404 HydrophobicContact CB-CD2 4Å; E392-L404 WeakPolarHBondContact O-CB 3.15Å; E392-L404 PolarHBondContact O-N 2.67Å; E392-L404 WeakPolarHBondContact OE2-CD2 3.4Å; L404-R406 PolarHBondContact O-N 3.05Å; L404-H415 WeakPolarHBondContact CA-CE1 3.47Å; L404-H415 WeakPolarHBondContact CD1-CE1 3.45Å; L404-H415 WeakPolarHBondContact CD1-ND1 3.06Å; L404-H415 VanDerWaalsContact CG-CE1 3.41Å; L404-H415 WeakPolarHBondContact CG-CE1 3.33Å; L404-L418 HydrophobicContact CD1-CB 4.39Å; L404-L418 HydrophobicContact CD1-CD2 4.02Å; L404-L418 HydrophobicContact CD1-CG 3.99Å; L404-R419 HydrophobicContact CD1-CB 3.9Å; L404-R419 HydrophobicContact CD1-CG 4.5Å; L404-R419 HydrophobicContact CD2-CB 4.43Å; L404-R419 HydrophobicContact CD2-CG 4.16Å; L404-I422 HydrophobicContact CB-CD1 3.94Å; L404-I422 HydrophobicContact CD1-CD1 4.03Å; L404-I422 HydrophobicContact CD2-CD1 4.19Å; L404-I422 HydrophobicContact CG-CD1 4.28Å | ||
| 405 | N | 79.5 | Confident | 76.1 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | trans | -82.2 | 100 | 171.1 | -169 | -14.1 | 0 | 0 | 0 | 113.7 | A403 K407 S408 H415 | A403-N405 PolarHBondContact O-N 3.28Å; N405-K407 VanDerWaalsContact C-N 3.27Å; N405-K407 PolarHBondContact O-N 2.95Å; N405-K407 WeakPolarHBondContact OD1-CB 2.82Å; N405-K407 PolarHBondContact OD1-N 2.72Å; N405-S408 PolarHBondContact O-OG 3.19Å; N405-H415 VanDerWaalsContact C-CE1 3.46Å; N405-H415 PolarHBondContact N-CE1 3.1Å; N405-H415 PolarHBondContact N-NE2 3.44Å; N405-H415 PolarHBondContact O-CE1 3.17Å; N405-H415 VanDerWaalsContact O-CE1 3.26Å | ||
| 406 | R | 73 | Confident | 75.4 | Confident | 158 Ų | 158 | 104 Ų | 104 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -17.2 | 176.8 | -62.4 | -176.3 | 179.6 | -144.5 | -5.1 | 114.7 | E392 L404 | E392-R406 IonicContact OE1-NH2 3.16Å; E392-R406 PolarHBondContact OE1-NH2 3.24Å; E392-R406 IonicContact OE2-CZ 3.36Å; E392-R406 IonicContact OE2-NE 3.14Å; E392-R406 PolarHBondContact OE2-NE 2.83Å; E392-R406 VanDerWaalsContact OE2-NE 3.14Å; E392-R406 IonicContact OE2-NH2 3.87Å; E392-R406 PolarHBondContact OE2-NH2 3.06Å; L404-R406 PolarHBondContact O-N 3.05Å |
| 407 | K | 69.3 | Low | 75.1 | Confident | 196 Ų | 196 | 105.8 Ų | 105.8 | 85% | 0.852 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -13.2 | -173.8 | -62.5 | -178.4 | 179.5 | 177.9 | 0 | 113.8 | N405 K409 | N405-K407 VanDerWaalsContact C-N 3.27Å; N405-K407 PolarHBondContact O-N 2.95Å; N405-K407 WeakPolarHBondContact OD1-CB 2.82Å; N405-K407 PolarHBondContact OD1-N 2.72Å; K407-K409 PolarHBondContact O-N 3.15Å |
| 408 | S | 59.1 | Low | 75 | Confident | 34 Ų | 34 | 101.1 Ų | 101.1 | 24% | 0.238 | 49% | 0.489 | C | S | . | . | trans | -89.6 | 98.9 | -172.8 | 74.5 | 0 | 0 | 0 | 0 | 112.5 | N405 L410 F411 | N405-S408 PolarHBondContact O-OG 3.19Å; S408-L410 PolarHBondContact O-N 2.84Å; S408-F411 PolarHBondContact O-N 3.44Å | ||
| 409 | K | 57.1 | Low | 75.1 | Confident | 196 Ų | 196 | 106.1 Ų | 106.1 | 85% | 0.852 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -59.4 | -31.9 | 178.4 | -74.2 | -174.7 | 178.2 | -178.1 | 0 | 113.5 | K407 F411 | K407-K409 PolarHBondContact O-N 3.15Å; K409-F411 VanDerWaalsContact C-N 3.29Å; K409-F411 PolarHBondContact O-N 2.93Å |
| 410 | L | 50.7 | Low | 75.2 | Confident | 165 Ų | 165 | 104.7 Ų | 104.7 | 86% | 0.864 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -78.1 | -10.1 | -171.1 | -129 | 137 | 0 | 0 | 0 | 114 | S408 | S408-L410 PolarHBondContact O-N 2.84Š|
| 411 | F | 53.3 | Low | 75.4 | Confident | 120 Ų | 120 | 103.3 Ų | 103.3 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -112.6 | 6.5 | -172.1 | -69.7 | -86.1 | 0 | 0 | 0 | 114.5 | S408 K409 L413 R414 H415 | S408-F411 PolarHBondContact O-N 3.44Å; K409-F411 VanDerWaalsContact C-N 3.29Å; K409-F411 PolarHBondContact O-N 2.93Å; F411-L413 VanDerWaalsContact C-N 3.25Å; F411-L413 PolarHBondContact O-N 2.83Å; F411-R414 PolarHBondContact O-N 3.25Å; F411-R414 VanDerWaalsContact O-N 3.16Å; F411-H415 WeakPolarHBondContact O-CB 2.87Å; F411-H415 PolarHBondContact O-N 2.81Å |
| 412 | M | 60.1 | Low | 75.5 | Confident | 136 Ų | 136 | 99.6 Ų | 99.6 | 67% | 0.67 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -48.9 | -38.4 | -170.1 | -74.5 | -147.3 | -66.6 | 0 | 0 | 114.5 | H415 T416 | M412-H415 PolarHBondContact O-N 3.13Å; M412-T416 WeakPolarHBondContact O-CG2 3.46Å; M412-T416 PolarHBondContact O-N 3.41Å; M412-T416 VanDerWaalsContact O-N 3.08Å |
| 413 | L | 60.9 | Low | 75.8 | Confident | 158 Ų | 158 | 99.6 Ų | 99.6 | 83% | 0.827 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71 | -32.9 | -176.7 | -78.4 | 113.5 | 0 | 0 | 0 | 116.1 | F411 T416 | F411-L413 VanDerWaalsContact C-N 3.25Å; F411-L413 PolarHBondContact O-N 2.83Å; L413-T416 PolarHBondContact O-OG1 3.33Å |
| 414 | R | 62 | Low | 76.1 | Confident | 186 Ų | 186 | 102.7 Ų | 102.7 | 70% | 0.702 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -84 | -28.9 | 175.3 | -64.8 | -171.6 | -157.7 | -177.5 | 6.5 | 111.2 | F411 T416 | F411-R414 PolarHBondContact O-N 3.25Å; F411-R414 VanDerWaalsContact O-N 3.16Å; R414-T416 VanDerWaalsContact C-N 3.35Å |
| 415 | H | 70 | Confident | 76.7 | Confident | 38 Ų | 38 | 101.9 Ų | 101.9 | 18% | 0.176 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -77.2 | -23 | -175.5 | -134.7 | -96 | 0 | 0 | 0 | 112.7 | L404 N405 F411 M412 R419 | L404-H415 WeakPolarHBondContact CA-CE1 3.47Å; L404-H415 WeakPolarHBondContact CD1-CE1 3.45Å; L404-H415 WeakPolarHBondContact CD1-ND1 3.06Å; L404-H415 VanDerWaalsContact CG-CE1 3.41Å; L404-H415 WeakPolarHBondContact CG-CE1 3.33Å; N405-H415 VanDerWaalsContact C-CE1 3.46Å; N405-H415 PolarHBondContact N-CE1 3.1Å; N405-H415 PolarHBondContact N-NE2 3.44Å; N405-H415 PolarHBondContact O-CE1 3.17Å; N405-H415 VanDerWaalsContact O-CE1 3.26Å; F411-H415 WeakPolarHBondContact O-CB 2.87Å; F411-H415 PolarHBondContact O-N 2.81Å; M412-H415 PolarHBondContact O-N 3.13Å; H415-R419 VanDerWaalsContact O-CB 3.25Å; H415-R419 WeakPolarHBondContact O-CB 3.26Å; H415-R419 PolarHBondContact O-N 3.04Å |
| 416 | T | 79.8 | Confident | 77.6 | Confident | 59 Ų | 59 | 98.4 Ų | 98.4 | 36% | 0.362 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.9 | -53.2 | 170.9 | 48.4 | 0 | 0 | 0 | 0 | 111.2 | M412 L413 R414 L418 R419 D420 | M412-T416 WeakPolarHBondContact O-CG2 3.46Å; M412-T416 PolarHBondContact O-N 3.41Å; M412-T416 VanDerWaalsContact O-N 3.08Å; L413-T416 PolarHBondContact O-OG1 3.33Å; R414-T416 VanDerWaalsContact C-N 3.35Å; T416-L418 VanDerWaalsContact C-N 3.29Å; T416-L418 PolarHBondContact O-N 3.07Å; T416-R419 CarbonylContact O-C 3.5Å; T416-R419 WeakPolarHBondContact O-CA 3.26Å; T416-R419 WeakPolarHBondContact O-CB 3.35Å; T416-R419 PolarHBondContact O-N 3.42Å; T416-D420 WeakPolarHBondContact O-CB 3.5Å; T416-D420 PolarHBondContact O-N 3.35Å |
| 417 | K | 86.1 | Confident | 78.8 | Confident | 166 Ų | 166 | 97.1 Ų | 97.1 | 72% | 0.722 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58.4 | -40.3 | 179 | -65.3 | -171.5 | 179.3 | -174.2 | 0 | 113 | A421 | K417-A421 WeakPolarHBondContact O-CB 3.35Å; K417-A421 PolarHBondContact O-N 3.1Å |
| 418 | L | 89 | Confident | 80.2 | Confident | 11 Ų | 11 | 90.2 Ų | 90.2 | 6% | 0.058 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 175.4 | 176.9 | 63 | 0 | 0 | 0 | 111.1 | Y380 Q402 L404 T416 A421 I422 | Y380-L418 HydrophobicContact CD1-CD1 3.9Å; Y380-L418 HydrophobicContact CE1-CD1 3.61Å; Q402-L418 HydrophobicContact CG-CD2 3.86Å; L404-L418 HydrophobicContact CD1-CB 4.39Å; L404-L418 HydrophobicContact CD1-CD2 4.02Å; L404-L418 HydrophobicContact CD1-CG 3.99Å; T416-L418 VanDerWaalsContact C-N 3.29Å; T416-L418 PolarHBondContact O-N 3.07Å; L418-A421 PolarHBondContact O-N 2.95Å; L418-I422 HydrophobicContact CD1-CD1 3.96Å; L418-I422 HydrophobicContact CD1-CG1 4.31Å; L418-I422 HydrophobicContact CG-CD1 3.82Å; L418-I422 WeakPolarHBondContact O-CD1 3.48Å; L418-I422 WeakPolarHBondContact O-CG1 3.45Å; L418-I422 PolarHBondContact O-N 3.47Å |
| 419 | R | 90.1 | Very high | 82.1 | Confident | 110 Ų | 110 | 88.6 Ų | 88.6 | 42% | 0.415 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.3 | -50.1 | 176.6 | -170.8 | -168.1 | 75.5 | 176.9 | 6.3 | 110.9 | L404 H415 T416 A421 I422 E423 | L404-R419 HydrophobicContact CD1-CB 3.9Å; L404-R419 HydrophobicContact CD1-CG 4.5Å; L404-R419 HydrophobicContact CD2-CB 4.43Å; L404-R419 HydrophobicContact CD2-CG 4.16Å; H415-R419 VanDerWaalsContact O-CB 3.25Å; H415-R419 WeakPolarHBondContact O-CB 3.26Å; H415-R419 PolarHBondContact O-N 3.04Å; T416-R419 CarbonylContact O-C 3.5Å; T416-R419 WeakPolarHBondContact O-CA 3.26Å; T416-R419 WeakPolarHBondContact O-CB 3.35Å; T416-R419 PolarHBondContact O-N 3.42Å; R419-A421 VanDerWaalsContact C-N 3.3Å; R419-A421 PolarHBondContact O-N 3.33Å; R419-I422 PolarHBondContact O-N 3.44Å; R419-I422 VanDerWaalsContact O-N 3.12Å; R419-E423 VanDerWaalsContact CD-OE1 3.27Å; R419-E423 WeakPolarHBondContact CD-OE1 3.09Å; R419-E423 HydrophobicContact CG-CG 4.34Å; R419-E423 VanDerWaalsContact CG-OE1 3.27Å; R419-E423 WeakPolarHBondContact CG-OE1 3.36Å; R419-E423 IonicContact CZ-OE1 3.98Å; R419-E423 IonicContact NE-OE1 3.31Å; R419-E423 PolarHBondContact NE-OE1 3.34Å; R419-E423 IonicContact NE-OE2 3.86Å; R419-E423 WeakPolarHBondContact O-CB 3.24Å; R419-E423 WeakPolarHBondContact O-CG 3.48Å; R419-E423 PolarHBondContact O-N 3.45Å |
| 420 | D | 92.2 | Very high | 84 | Confident | 73 Ų | 73 | 83 Ų | 83 | 39% | 0.39 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | -177.6 | -56.9 | -22.9 | 0 | 0 | 0 | 110.5 | T416 E423 E424 | T416-D420 WeakPolarHBondContact O-CB 3.5Å; T416-D420 PolarHBondContact O-N 3.35Å; D420-E423 PolarHBondContact O-N 2.95Å; D420-E424 VanDerWaalsContact O-CB 3.3Å; D420-E424 WeakPolarHBondContact O-CB 3.3Å; D420-E424 PolarHBondContact O-N 3.01Å |
| 421 | A | 94.3 | Very high | 86.3 | Confident | 22 Ų | 22 | 79.2 Ų | 79.2 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y380 K417 L418 R419 A425 | Y380-A421 HydrophobicContact CD1-CB 4.29Å; Y380-A421 HydrophobicContact CD2-CB 4.2Å; Y380-A421 HydrophobicContact CE1-CB 4.29Å; Y380-A421 HydrophobicContact CE2-CB 4.18Å; Y380-A421 HydrophobicContact CG-CB 4.24Å; K417-A421 WeakPolarHBondContact O-CB 3.35Å; K417-A421 PolarHBondContact O-N 3.1Å; L418-A421 PolarHBondContact O-N 2.95Å; R419-A421 VanDerWaalsContact C-N 3.3Å; R419-A421 PolarHBondContact O-N 3.33Å; A421-A425 VanDerWaalsContact O-CB 3.32Å; A421-A425 WeakPolarHBondContact O-CB 3.43Å; A421-A425 PolarHBondContact O-N 3.05Å |
| 422 | I | 95.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.7 | -46.1 | 174.8 | -65.5 | 157.8 | 0 | 0 | 0 | 110.4 | Y380 E392 L404 L418 R419 E424 A425 V426 | Y380-I422 HydrophobicContact CD1-CG1 4.13Å; E392-I422 HydrophobicContact CB-CD1 4.47Å; E392-I422 HydrophobicContact CB-CG2 4.36Å; L404-I422 HydrophobicContact CB-CD1 3.94Å; L404-I422 HydrophobicContact CD1-CD1 4.03Å; L404-I422 HydrophobicContact CD2-CD1 4.19Å; L404-I422 HydrophobicContact CG-CD1 4.28Å; L418-I422 HydrophobicContact CD1-CD1 3.96Å; L418-I422 HydrophobicContact CD1-CG1 4.31Å; L418-I422 HydrophobicContact CG-CD1 3.82Å; L418-I422 WeakPolarHBondContact O-CD1 3.48Å; L418-I422 WeakPolarHBondContact O-CG1 3.45Å; L418-I422 PolarHBondContact O-N 3.47Å; R419-I422 PolarHBondContact O-N 3.44Å; R419-I422 VanDerWaalsContact O-N 3.12Å; I422-E424 VanDerWaalsContact C-N 3.31Å; I422-E424 PolarHBondContact O-N 3.39Å; I422-A425 PolarHBondContact O-N 2.97Å; I422-V426 HydrophobicContact CG2-CG2 4.2Å; I422-V426 WeakPolarHBondContact O-CB 3.48Å; I422-V426 VanDerWaalsContact O-CG2 3.25Å; I422-V426 WeakPolarHBondContact O-CG2 3.19Å; I422-V426 PolarHBondContact O-N 3.49Å |
| 423 | E | 95.8 | Very high | 90.2 | Very high | 92 Ų | 92 | 67.7 Ų | 67.7 | 43% | 0.43 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 178.2 | -73.4 | 173.7 | -175.4 | 0 | 0 | 111 | R419 D420 K427 | R419-E423 VanDerWaalsContact CD-OE1 3.27Å; R419-E423 WeakPolarHBondContact CD-OE1 3.09Å; R419-E423 HydrophobicContact CG-CG 4.34Å; R419-E423 VanDerWaalsContact CG-OE1 3.27Å; R419-E423 WeakPolarHBondContact CG-OE1 3.36Å; R419-E423 IonicContact CZ-OE1 3.98Å; R419-E423 IonicContact NE-OE1 3.31Å; R419-E423 PolarHBondContact NE-OE1 3.34Å; R419-E423 IonicContact NE-OE2 3.86Å; R419-E423 WeakPolarHBondContact O-CB 3.24Å; R419-E423 WeakPolarHBondContact O-CG 3.48Å; R419-E423 PolarHBondContact O-N 3.45Å; D420-E423 PolarHBondContact O-N 2.95Å; E423-K427 VanDerWaalsContact O-CB 3.29Å; E423-K427 WeakPolarHBondContact O-CB 3.41Å; E423-K427 PolarHBondContact O-N 3.39Å |
| 424 | E | 96.7 | Very high | 92 | Very high | 125 Ų | 125 | 65.6 Ų | 65.6 | 58% | 0.584 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.4 | -46.9 | 173.7 | -176 | 177.2 | -175.5 | 0 | 0 | 112.2 | D420 I422 V426 K427 N428 | D420-E424 VanDerWaalsContact O-CB 3.3Å; D420-E424 WeakPolarHBondContact O-CB 3.3Å; D420-E424 PolarHBondContact O-N 3.01Å; I422-E424 VanDerWaalsContact C-N 3.31Å; I422-E424 PolarHBondContact O-N 3.39Å; E424-V426 PolarHBondContact O-N 3.39Å; E424-K427 PolarHBondContact O-N 3.49Å; E424-N428 WeakPolarHBondContact O-CB 3.49Å; E424-N428 VanDerWaalsContact O-CG 3.23Å; E424-N428 PolarHBondContact O-N 3.25Å; E424-N428 PolarHBondContact O-ND2 2.93Å |
| 425 | A | 97.7 | Very high | 93.6 | Very high | 3 Ų | 3 | 62.6 Ų | 62.6 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y357 Y380 A421 I422 A429 | Y357-A425 HydrophobicContact CE1-CB 4.14Å; Y380-A425 WeakPolarHBondContact O-CB 3.47Å; A421-A425 VanDerWaalsContact O-CB 3.32Å; A421-A425 WeakPolarHBondContact O-CB 3.43Å; A421-A425 PolarHBondContact O-N 3.05Å; I422-A425 PolarHBondContact O-N 2.97Å; A425-A429 VanDerWaalsContact O-CB 3.28Å; A425-A429 WeakPolarHBondContact O-CB 3.41Å; A425-A429 PolarHBondContact O-N 3.24Å |
| 426 | V | 97.9 | Very high | 95 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -45.3 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | A369 T382 I422 E424 N428 A429 E430 | A369-V426 HydrophobicContact CB-CG1 4.15Å; T382-V426 WeakPolarHBondContact OG1-CG2 3.3Å; I422-V426 HydrophobicContact CG2-CG2 4.2Å; I422-V426 WeakPolarHBondContact O-CB 3.48Å; I422-V426 VanDerWaalsContact O-CG2 3.25Å; I422-V426 WeakPolarHBondContact O-CG2 3.19Å; I422-V426 PolarHBondContact O-N 3.49Å; E424-V426 PolarHBondContact O-N 3.39Å; V426-N428 PolarHBondContact O-N 2.94Å; V426-A429 WeakPolarHBondContact O-CB 3.15Å; V426-A429 PolarHBondContact O-N 2.93Å; V426-E430 HydrophobicContact CG1-CG 4.47Å; V426-E430 WeakPolarHBondContact O-CG 3.38Å; V426-E430 PolarHBondContact O-N 3.31Å |
| 427 | K | 98.1 | Very high | 95.7 | Very high | 131 Ų | 131 | 62.3 Ų | 62.3 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.7 | -48.3 | 175.6 | -177.3 | -175.2 | 175.3 | -173.4 | 0 | 111.5 | E423 E424 A429 E430 D431 | E423-K427 VanDerWaalsContact O-CB 3.29Å; E423-K427 WeakPolarHBondContact O-CB 3.41Å; E423-K427 PolarHBondContact O-N 3.39Å; E424-K427 PolarHBondContact O-N 3.49Å; K427-A429 VanDerWaalsContact C-N 3.28Å; K427-A429 PolarHBondContact O-N 2.93Å; K427-E430 PolarHBondContact O-N 2.86Å; K427-D431 WeakPolarHBondContact O-CB 3.15Å; K427-D431 PolarHBondContact O-N 3.05Å |
| 428 | N | 98.4 | Very high | 96.2 | Very high | 50 Ų | 50 | 60.2 Ų | 60.2 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.1 | -34.5 | 177.6 | -70.5 | -22 | 0 | 0 | 0 | 112.2 | Y357 E424 V426 A432 | Y357-N428 HydrophobicContact CD1-CB 3.69Å; Y357-N428 HydrophobicContact CD2-CB 4.16Å; Y357-N428 HydrophobicContact CE1-CB 3.85Å; Y357-N428 HydrophobicContact CE2-CB 4.29Å; Y357-N428 HydrophobicContact CG-CB 3.86Å; E424-N428 WeakPolarHBondContact O-CB 3.49Å; E424-N428 VanDerWaalsContact O-CG 3.23Å; E424-N428 PolarHBondContact O-N 3.25Å; E424-N428 PolarHBondContact O-ND2 2.93Å; V426-N428 PolarHBondContact O-N 2.94Å; N428-A432 WeakPolarHBondContact O-CB 3.03Å; N428-A432 PolarHBondContact O-N 3.44Å |
| 429 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V359 A369 G370 A425 V426 K427 A432 A433 | V359-A429 HydrophobicContact CG2-CB 4.27Å; A369-A429 HydrophobicContact CB-CB 4.42Å; G370-A429 VanDerWaalsContact N-CB 3.28Å; A425-A429 VanDerWaalsContact O-CB 3.28Å; A425-A429 WeakPolarHBondContact O-CB 3.41Å; A425-A429 PolarHBondContact O-N 3.24Å; V426-A429 WeakPolarHBondContact O-CB 3.15Å; V426-A429 PolarHBondContact O-N 2.93Å; K427-A429 VanDerWaalsContact C-N 3.28Å; K427-A429 PolarHBondContact O-N 2.93Å; A429-A432 PolarHBondContact O-N 3.16Å; A429-A433 VanDerWaalsContact O-CB 3.25Å; A429-A433 WeakPolarHBondContact O-CB 3.28Å; A429-A433 PolarHBondContact O-N 2.8Å |
| 430 | E | 98 | Very high | 96.7 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 37% | 0.369 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 176.4 | -71.1 | -179.1 | 165.3 | 0 | 0 | 111.6 | V359 R367 V426 K427 A432 A433 K434 | V359-E430 HydrophobicContact CG2-CG 4.32Å; R367-E430 IonicContact CZ-OE1 2.83Å; R367-E430 IonicContact NH1-OE1 2.93Å; R367-E430 PolarHBondContact NH1-OE1 3.35Å; R367-E430 IonicContact NH2-OE1 3.33Å; R367-E430 PolarHBondContact NH2-OE1 3.11Å; V426-E430 HydrophobicContact CG1-CG 4.47Å; V426-E430 WeakPolarHBondContact O-CG 3.38Å; V426-E430 PolarHBondContact O-N 3.31Å; K427-E430 PolarHBondContact O-N 2.86Å; E430-A432 PolarHBondContact O-N 3.02Å; E430-A433 PolarHBondContact O-N 3.44Å; E430-K434 VanDerWaalsContact O-CB 3.3Å; E430-K434 WeakPolarHBondContact O-CB 3.3Å; E430-K434 PolarHBondContact O-N 3.16Å |
| 431 | D | 98 | Very high | 96.8 | Very high | 85 Ų | 85 | 59 Ų | 59 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 173.9 | -73 | -23.7 | 0 | 0 | 0 | 111.4 | K427 K435 | K427-D431 WeakPolarHBondContact O-CB 3.15Å; K427-D431 PolarHBondContact O-N 3.05Å; D431-K435 WeakPolarHBondContact O-CB 3.29Å; D431-K435 PolarHBondContact O-N 3.13Å |
| 432 | A | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L146 N428 A429 E430 A436 | L146-A432 HydrophobicContact CD2-CB 4.41Å; N428-A432 WeakPolarHBondContact O-CB 3.03Å; N428-A432 PolarHBondContact O-N 3.44Å; A429-A432 PolarHBondContact O-N 3.16Å; E430-A432 PolarHBondContact O-N 3.02Å; A432-A436 VanDerWaalsContact O-CB 3.28Å; A432-A436 WeakPolarHBondContact O-CB 3.35Å; A432-A436 PolarHBondContact O-N 2.88Å |
| 433 | A | 98 | Very high | 97 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 5% | 0.05 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S346 V359 A429 E430 A436 Q437 | S346-A433 WeakPolarHBondContact O-CB 3.48Å; V359-A433 HydrophobicContact CB-CB 3.81Å; V359-A433 HydrophobicContact CG2-CB 3.61Å; A429-A433 VanDerWaalsContact O-CB 3.25Å; A429-A433 WeakPolarHBondContact O-CB 3.28Å; A429-A433 PolarHBondContact O-N 2.8Å; E430-A433 PolarHBondContact O-N 3.44Å; A433-A436 WeakPolarHBondContact O-CB 3.5Å; A433-A436 PolarHBondContact O-N 2.95Å; A433-Q437 WeakPolarHBondContact O-CB 3.36Å; A433-Q437 WeakPolarHBondContact O-CG 3.46Å; A433-Q437 PolarHBondContact O-N 2.91Å |
| 434 | K | 97.7 | Very high | 97.1 | Very high | 113 Ų | 113 | 58.8 Ų | 58.8 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 175 | -176.2 | 179.4 | -179.6 | -177.7 | 0 | 111 | E430 A436 Q437 E438 | E430-K434 VanDerWaalsContact O-CB 3.3Å; E430-K434 WeakPolarHBondContact O-CB 3.3Å; E430-K434 PolarHBondContact O-N 3.16Å; K434-A436 VanDerWaalsContact C-N 3.3Å; K434-A436 PolarHBondContact O-N 3.06Å; K434-Q437 PolarHBondContact O-N 3.39Å; K434-Q437 VanDerWaalsContact O-N 3.17Å; K434-E438 WeakPolarHBondContact CE-OE1 3.39Å; K434-E438 WeakPolarHBondContact CE-OE2 3.47Å; K434-E438 HydrophobicContact CG-CG 4.28Å; K434-E438 WeakPolarHBondContact CG-OE1 3.26Å; K434-E438 IonicContact NZ-OE1 3.22Å; K434-E438 WeakPolarHBondContact O-CB 3.24Å; K434-E438 WeakPolarHBondContact O-CG 3.25Å; K434-E438 PolarHBondContact O-N 3.2Å |
| 435 | K | 97.5 | Very high | 97.1 | Very high | 124 Ų | 124 | 56.3 Ų | 56.3 | 54% | 0.539 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 176.6 | -168.9 | 177.2 | 171.5 | 178.4 | 0 | 112.4 | L146 D431 S439 S440 | L146-K435 HydrophobicContact CD1-CB 4.02Å; L146-K435 HydrophobicContact CD1-CD 3.52Å; L146-K435 HydrophobicContact CD1-CG 3.55Å; D431-K435 WeakPolarHBondContact O-CB 3.29Å; D431-K435 PolarHBondContact O-N 3.13Å; K435-S439 WeakPolarHBondContact O-CA 3.43Å; K435-S439 VanDerWaalsContact O-CB 3.3Å; K435-S439 WeakPolarHBondContact O-CB 3.36Å; K435-S439 PolarHBondContact O-N 2.88Å; K435-S440 PolarHBondContact O-N 3.04Å; K435-S440 VanDerWaalsContact O-N 3.14Å |
| 436 | A | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -64.3 | -43.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L146 V148 A432 A433 K434 S440 Y441 | L146-A436 HydrophobicContact CB-CB 4.2Å; L146-A436 HydrophobicContact CD2-CB 4.41Å; V148-A436 HydrophobicContact CG2-CB 4.06Å; A432-A436 VanDerWaalsContact O-CB 3.28Å; A432-A436 WeakPolarHBondContact O-CB 3.35Å; A432-A436 PolarHBondContact O-N 2.88Å; A433-A436 WeakPolarHBondContact O-CB 3.5Å; A433-A436 PolarHBondContact O-N 2.95Å; K434-A436 VanDerWaalsContact C-N 3.3Å; K434-A436 PolarHBondContact O-N 3.06Å; A436-S440 WeakPolarHBondContact O-CB 3.4Å; A436-S440 PolarHBondContact O-N 3.2Å; A436-Y441 WeakPolarHBondContact O-CB 3.45Å; A436-Y441 PolarHBondContact O-N 3.29Å |
| 437 | Q | 95.7 | Very high | 97 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 42% | 0.421 | 30% | 0.304 | S | S | . | . | I | π-helix | trans | -73.6 | -37.6 | -179.6 | -73.1 | 172.1 | -19.7 | 0 | 0 | 114.1 | V148 S346 A433 K434 Y441 | V148-Q437 HydrophobicContact CG2-CB 4.42Å; V148-Q437 HydrophobicContact CG2-CG 3.82Å; S346-Q437 WeakPolarHBondContact OG-CG 3.22Å; S346-Q437 PolarHBondContact OG-NE2 2.94Å; S346-Q437 VanDerWaalsContact OG-NE2 3.09Å; A433-Q437 WeakPolarHBondContact O-CB 3.36Å; A433-Q437 WeakPolarHBondContact O-CG 3.46Å; A433-Q437 PolarHBondContact O-N 2.91Å; K434-Q437 PolarHBondContact O-N 3.39Å; K434-Q437 VanDerWaalsContact O-N 3.17Å; Q437-Y441 VanDerWaalsContact O-CB 3.27Å; Q437-Y441 WeakPolarHBondContact O-CB 3.49Å |
| 438 | E | 95.1 | Very high | 96.9 | Very high | 122 Ų | 122 | 58.2 Ų | 58.2 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | I | π-helix | trans | -91.3 | -41.9 | -175.7 | -67.7 | 175.7 | 172.9 | 0 | 0 | 112.1 | K434 E442 | K434-E438 WeakPolarHBondContact CE-OE1 3.39Å; K434-E438 WeakPolarHBondContact CE-OE2 3.47Å; K434-E438 HydrophobicContact CG-CG 4.28Å; K434-E438 WeakPolarHBondContact CG-OE1 3.26Å; K434-E438 IonicContact NZ-OE1 3.22Å; K434-E438 WeakPolarHBondContact O-CB 3.24Å; K434-E438 WeakPolarHBondContact O-CG 3.25Å; K434-E438 PolarHBondContact O-N 3.2Å; E438-E442 WeakPolarHBondContact O-CB 3.47Å |
| 439 | S | 94.9 | Very high | 96.9 | Very high | 62 Ų | 62 | 60.1 Ų | 60.1 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -100.3 | -52.1 | -172.1 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | K435 S443 | K435-S439 WeakPolarHBondContact O-CA 3.43Å; K435-S439 VanDerWaalsContact O-CB 3.3Å; K435-S439 WeakPolarHBondContact O-CB 3.36Å; K435-S439 PolarHBondContact O-N 2.88Å; S439-S443 WeakPolarHBondContact O-CB 3.38Å; S439-S443 PolarHBondContact O-N 3.43Å; S439-S443 PolarHBondContact O-OG 2.93Å |
| 440 | S | 95.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 62.4 Ų | 62.4 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -72.7 | -40.2 | -175.2 | -172 | 0 | 0 | 0 | 0 | 112.5 | G136 L146 K435 A436 A444 | G136-S440 WeakPolarHBondContact CA-OG 3.46Å; L146-S440 PolarHBondContact O-OG 3.24Å; K435-S440 PolarHBondContact O-N 3.04Å; K435-S440 VanDerWaalsContact O-N 3.14Å; A436-S440 WeakPolarHBondContact O-CB 3.4Å; A436-S440 PolarHBondContact O-N 3.2Å; S440-A444 WeakPolarHBondContact O-CB 3.41Å; S440-A444 PolarHBondContact O-N 3.13Å |
| 441 | Y | 94.6 | Very high | 96.9 | Very high | 101 Ų | 101 | 58.7 Ų | 58.7 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 177 | 179.3 | -91.6 | 0 | 0 | 0 | 111 | A135 V148 A436 Q437 S443 A444 F445 | A135-Y441 HydrophobicContact CB-CD2 3.57Å; A135-Y441 HydrophobicContact CB-CE2 3.83Å; V148-Y441 HydrophobicContact CB-CD2 4.19Å; V148-Y441 HydrophobicContact CG2-CD2 4.45Å; A436-Y441 WeakPolarHBondContact O-CB 3.45Å; A436-Y441 PolarHBondContact O-N 3.29Å; Q437-Y441 VanDerWaalsContact O-CB 3.27Å; Q437-Y441 WeakPolarHBondContact O-CB 3.49Å; Y441-S443 PolarHBondContact O-N 2.65Å; Y441-A444 WeakPolarHBondContact O-CB 2.95Å; Y441-A444 PolarHBondContact O-N 2.88Å; Y441-A444 VanDerWaalsContact O-N 3.16Å; Y441-F445 PolarHBondContact O-N 3.17Å |
| 442 | E | 96.1 | Very high | 96.9 | Very high | 83 Ų | 83 | 59.6 Ų | 59.6 | 39% | 0.388 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 176.9 | -179.2 | 55.4 | -152.6 | 0 | 0 | 111.5 | E438 A444 F445 Q446 | E438-E442 WeakPolarHBondContact O-CB 3.47Å; E442-A444 VanDerWaalsContact C-N 3.31Å; E442-A444 PolarHBondContact O-N 3.23Å; E442-F445 PolarHBondContact O-N 2.81Å; E442-F445 VanDerWaalsContact O-N 3.15Å; E442-Q446 WeakPolarHBondContact O-CG 3.43Å; E442-Q446 PolarHBondContact O-N 3.01Å; E442-Q446 WeakPolarHBondContact OE1-CG 3.34Å; E442-Q446 PolarHBondContact OE1-NE2 2.83Å |
| 443 | S | 97.4 | Very high | 96.8 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 174.8 | -61 | 0 | 0 | 0 | 0 | 111.7 | S439 Y441 R447 | S439-S443 WeakPolarHBondContact O-CB 3.38Å; S439-S443 PolarHBondContact O-N 3.43Å; S439-S443 PolarHBondContact O-OG 2.93Å; Y441-S443 PolarHBondContact O-N 2.65Å; S443-R447 VanDerWaalsContact O-CG 3.3Å; S443-R447 WeakPolarHBondContact O-CG 3.34Å; S443-R447 PolarHBondContact O-N 2.88Å |
| 444 | A | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F123 V125 A135 S440 Y441 E442 R447 A448 | F123-A444 HydrophobicContact CB-CB 4.43Å; V125-A444 HydrophobicContact CG2-CB 4.13Å; A135-A444 HydrophobicContact CB-CB 4.12Å; S440-A444 WeakPolarHBondContact O-CB 3.41Å; S440-A444 PolarHBondContact O-N 3.13Å; Y441-A444 WeakPolarHBondContact O-CB 2.95Å; Y441-A444 PolarHBondContact O-N 2.88Å; Y441-A444 VanDerWaalsContact O-N 3.16Å; E442-A444 VanDerWaalsContact C-N 3.31Å; E442-A444 PolarHBondContact O-N 3.23Å; A444-R447 PolarHBondContact O-N 3.05Å; A444-A448 WeakPolarHBondContact O-CB 3.46Å; A444-A448 PolarHBondContact O-N 3.35Å |
| 445 | F | 96.7 | Very high | 96.8 | Very high | 73 Ų | 73 | 59 Ų | 59 | 32% | 0.32 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 178.1 | -169.1 | -105.6 | 0 | 0 | 0 | 112.2 | Y441 E442 R447 A448 Q449 | Y441-F445 PolarHBondContact O-N 3.17Å; E442-F445 PolarHBondContact O-N 2.81Å; E442-F445 VanDerWaalsContact O-N 3.15Å; F445-R447 VanDerWaalsContact C-N 3.35Å; F445-R447 PolarHBondContact O-N 3.47Å; F445-A448 WeakPolarHBondContact O-CB 3.47Å; F445-A448 PolarHBondContact O-N 2.85Å; F445-A448 VanDerWaalsContact O-N 3.17Å; F445-Q449 HydrophobicContact CD1-CG 4.23Å; F445-Q449 HydrophobicContact CE1-CG 4.05Å; F445-Q449 HydrophobicContact CZ-CG 4.44Å; F445-Q449 WeakPolarHBondContact O-CG 3.35Å; F445-Q449 PolarHBondContact O-N 2.56Å |
| 446 | Q | 97.2 | Very high | 96.8 | Very high | 92 Ų | 92 | 55 Ų | 55 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 173.9 | -70.2 | 176.7 | 5.6 | 0 | 0 | 112.1 | E442 Q449 T450 | E442-Q446 WeakPolarHBondContact O-CG 3.43Å; E442-Q446 PolarHBondContact O-N 3.01Å; E442-Q446 WeakPolarHBondContact OE1-CG 3.34Å; E442-Q446 PolarHBondContact OE1-NE2 2.83Å; Q446-Q449 PolarHBondContact O-N 3.48Å; Q446-T450 PolarHBondContact O-N 3.04Å; Q446-T450 PolarHBondContact O-OG1 3.31Å |
| 447 | R | 96.7 | Very high | 96.8 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 174.2 | -64.1 | -43.3 | 178 | 177.2 | -6.9 | 112.1 | Y99 F123 S443 A444 F445 T450 A451 | Y99-R447 PolarHBondContact OH-NH1 2.82Å; F123-R447 HydrophobicContact CB-CB 4.46Å; F123-R447 HydrophobicContact CB-CG 3.84Å; F123-R447 WeakPolarHBondContact O-CB 3.39Å; S443-R447 VanDerWaalsContact O-CG 3.3Å; S443-R447 WeakPolarHBondContact O-CG 3.34Å; S443-R447 PolarHBondContact O-N 2.88Å; A444-R447 PolarHBondContact O-N 3.05Å; F445-R447 VanDerWaalsContact C-N 3.35Å; F445-R447 PolarHBondContact O-N 3.47Å; R447-T450 PolarHBondContact O-N 2.66Å; R447-A451 WeakPolarHBondContact O-CB 3.49Å; R447-A451 PolarHBondContact O-N 3.37Å |
| 448 | A | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | E112 V125 A444 F445 T450 A451 R452 | E112-A448 HydrophobicContact CB-CB 3.86Å; V125-A448 HydrophobicContact CB-CB 4.22Å; V125-A448 HydrophobicContact CG2-CB 3.82Å; A444-A448 WeakPolarHBondContact O-CB 3.46Å; A444-A448 PolarHBondContact O-N 3.35Å; F445-A448 WeakPolarHBondContact O-CB 3.47Å; F445-A448 PolarHBondContact O-N 2.85Å; F445-A448 VanDerWaalsContact O-N 3.17Å; A448-T450 PolarHBondContact O-N 3.35Å; A448-A451 CarbonylContact O-C 3.54Å; A448-A451 WeakPolarHBondContact O-CB 3.13Å; A448-A451 PolarHBondContact O-N 2.88Å; A448-A451 VanDerWaalsContact O-N 3.15Å; A448-R452 WeakPolarHBondContact O-CG 3.2Å; A448-R452 PolarHBondContact O-N 2.73Å |
| 449 | Q | 97.9 | Very high | 97 | Very high | 91 Ų | 91 | 50 Ų | 50 | 43% | 0.425 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 172.5 | -73.6 | -179.7 | -24.3 | 0 | 0 | 111.7 | F445 Q446 A451 R452 T453 | F445-Q449 HydrophobicContact CD1-CG 4.23Å; F445-Q449 HydrophobicContact CE1-CG 4.05Å; F445-Q449 HydrophobicContact CZ-CG 4.44Å; F445-Q449 WeakPolarHBondContact O-CG 3.35Å; F445-Q449 PolarHBondContact O-N 2.56Å; Q446-Q449 PolarHBondContact O-N 3.48Å; Q449-A451 VanDerWaalsContact C-N 3.29Å; Q449-A451 PolarHBondContact O-N 2.77Å; Q449-R452 WeakPolarHBondContact O-CB 3.32Å; Q449-R452 PolarHBondContact O-N 2.86Å; Q449-R452 VanDerWaalsContact O-N 3.13Å; Q449-T453 PolarHBondContact O-N 3.23Å |
| 450 | T | 97.7 | Very high | 97.1 | Very high | 48 Ų | 48 | 48.5 Ų | 48.5 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 174.8 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | Y99 Q446 R447 A448 R452 T453 V454 | Y99-T450 HydrophobicContact CD1-CG2 4.37Å; Y99-T450 HydrophobicContact CD2-CG2 3.74Å; Y99-T450 HydrophobicContact CE2-CG2 3.87Å; Y99-T450 HydrophobicContact CG-CG2 3.99Å; Q446-T450 PolarHBondContact O-N 3.04Å; Q446-T450 PolarHBondContact O-OG1 3.31Å; R447-T450 PolarHBondContact O-N 2.66Å; A448-T450 PolarHBondContact O-N 3.35Å; T450-R452 VanDerWaalsContact C-N 3.33Å; T450-R452 PolarHBondContact O-N 3.31Å; T450-T453 PolarHBondContact O-N 2.97Å; T450-T453 PolarHBondContact O-OG1 3.42Å; T450-V454 WeakPolarHBondContact O-CB 3.14Å; T450-V454 VanDerWaalsContact O-CG2 3.24Å; T450-V454 WeakPolarHBondContact O-CG2 3.29Å; T450-V454 PolarHBondContact O-N 2.95Å; T450-V454 VanDerWaalsContact O-N 3.08Å |
| 451 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.1 | -35.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I101 R447 A448 Q449 A455 | I101-A451 HydrophobicContact CG1-CB 4.05Å; R447-A451 WeakPolarHBondContact O-CB 3.49Å; R447-A451 PolarHBondContact O-N 3.37Å; A448-A451 CarbonylContact O-C 3.54Å; A448-A451 WeakPolarHBondContact O-CB 3.13Å; A448-A451 PolarHBondContact O-N 2.88Å; A448-A451 VanDerWaalsContact O-N 3.15Å; Q449-A451 VanDerWaalsContact C-N 3.29Å; Q449-A451 PolarHBondContact O-N 2.77Å; A451-A455 WeakPolarHBondContact O-CB 2.92Å; A451-A455 PolarHBondContact O-N 3.38Å |
| 452 | R | 97.6 | Very high | 97.2 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 174.8 | -69.4 | 172.6 | -160.3 | 150.9 | 7.3 | 112.4 | I101 E112 A448 Q449 T450 A455 G456 | I101-R452 HydrophobicContact CD1-CB 4.29Å; I101-R452 HydrophobicContact CD1-CG 3.73Å; E112-R452 IonicContact OE1-NE 3.56Å; E112-R452 IonicContact OE2-CZ 3.93Å; E112-R452 IonicContact OE2-NE 2.82Å; E112-R452 PolarHBondContact OE2-NE 2.97Å; E112-R452 IonicContact OE2-NH2 3.3Å; E112-R452 PolarHBondContact OE2-NH2 3.31Å; A448-R452 WeakPolarHBondContact O-CG 3.2Å; A448-R452 PolarHBondContact O-N 2.73Å; Q449-R452 WeakPolarHBondContact O-CB 3.32Å; Q449-R452 PolarHBondContact O-N 2.86Å; Q449-R452 VanDerWaalsContact O-N 3.13Å; T450-R452 VanDerWaalsContact C-N 3.33Å; T450-R452 PolarHBondContact O-N 3.31Å; R452-A455 PolarHBondContact O-N 3.26Å; R452-G456 PolarHBondContact O-N 3.46Å |
| 453 | T | 97.7 | Very high | 97.3 | Very high | 90 Ų | 90 | 51 Ų | 51 | 55% | 0.552 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.1 | -45.4 | 176.1 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | Q449 T450 A455 G456 T457 | Q449-T453 PolarHBondContact O-N 3.23Å; T450-T453 PolarHBondContact O-N 2.97Å; T450-T453 PolarHBondContact O-OG1 3.42Å; T453-A455 VanDerWaalsContact C-N 3.34Å; T453-A455 PolarHBondContact O-N 2.82Å; T453-G456 PolarHBondContact O-N 2.98Å; T453-T457 PolarHBondContact O-N 3.4Å; T453-T457 PolarHBondContact O-OG1 3.04Å |
| 454 | V | 97.2 | Very high | 97.2 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 13% | 0.127 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.8 | -32.5 | 176.8 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | T450 T457 A458 | T450-V454 WeakPolarHBondContact O-CB 3.14Å; T450-V454 VanDerWaalsContact O-CG2 3.24Å; T450-V454 WeakPolarHBondContact O-CG2 3.29Å; T450-V454 PolarHBondContact O-N 2.95Å; T450-V454 VanDerWaalsContact O-N 3.08Å; V454-T457 WeakPolarHBondContact CA-OG1 3.32Å; V454-T457 PolarHBondContact O-OG1 2.81Å; V454-A458 WeakPolarHBondContact O-CB 3.35Å; V454-A458 PolarHBondContact O-N 3.23Å |
| 455 | A | 97.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | R88 I101 A451 R452 T453 A458 D459 | R88-A455 HydrophobicContact CB-CB 3.82Å; I101-A455 HydrophobicContact CB-CB 4.19Å; I101-A455 HydrophobicContact CD1-CB 3.69Å; I101-A455 HydrophobicContact CG1-CB 3.9Å; A451-A455 WeakPolarHBondContact O-CB 2.92Å; A451-A455 PolarHBondContact O-N 3.38Å; R452-A455 PolarHBondContact O-N 3.26Å; T453-A455 VanDerWaalsContact C-N 3.34Å; T453-A455 PolarHBondContact O-N 2.82Å; A455-A458 WeakPolarHBondContact O-CB 3.46Å; A455-A458 PolarHBondContact O-N 3.32Å; A455-D459 VanDerWaalsContact O-CG 3.3Å; A455-D459 PolarHBondContact O-N 3.42Å |
| 456 | G | 97.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 42% | 0.423 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R452 T453 D459 A460 | R452-G456 PolarHBondContact O-N 3.46Å; T453-G456 PolarHBondContact O-N 2.98Å; G456-D459 PolarHBondContact O-N 2.85Å; G456-A460 PolarHBondContact O-N 3.28Å; G456-A460 VanDerWaalsContact O-N 3.1Å |
| 457 | T | 97.4 | Very high | 97.1 | Very high | 59 Ų | 59 | 52.8 Ų | 52.8 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | E77 T453 V454 D459 A460 R461 | E77-T457 WeakPolarHBondContact OE1-CB 3.24Å; E77-T457 PolarHBondContact OE1-OG1 2.71Å; E77-T457 VanDerWaalsContact OE2-CB 3.23Å; E77-T457 WeakPolarHBondContact OE2-CB 3.3Å; E77-T457 PolarHBondContact OE2-OG1 3.48Å; T453-T457 PolarHBondContact O-N 3.4Å; T453-T457 PolarHBondContact O-OG1 3.04Å; V454-T457 WeakPolarHBondContact CA-OG1 3.32Å; V454-T457 PolarHBondContact O-OG1 2.81Å; T457-D459 VanDerWaalsContact C-N 3.3Å; T457-D459 PolarHBondContact O-N 3.47Å; T457-A460 WeakPolarHBondContact O-CB 3.2Å; T457-A460 PolarHBondContact O-N 3.4Å; T457-R461 WeakPolarHBondContact O-CG 3.36Å; T457-R461 PolarHBondContact O-N 3.2Å |
| 458 | A | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -37.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E77 G78 V454 A455 R461 A462 | E77-A458 HydrophobicContact CB-CB 4.19Å; G78-A458 WeakPolarHBondContact O-CB 3.41Å; V454-A458 WeakPolarHBondContact O-CB 3.35Å; V454-A458 PolarHBondContact O-N 3.23Å; A455-A458 WeakPolarHBondContact O-CB 3.46Å; A455-A458 PolarHBondContact O-N 3.32Å; A458-R461 PolarHBondContact O-N 2.92Å; A458-A462 WeakPolarHBondContact O-CB 3.37Å; A458-A462 PolarHBondContact O-N 2.72Å |
| 459 | D | 97.2 | Very high | 97.1 | Very high | 46 Ų | 46 | 49.8 Ų | 49.8 | 25% | 0.246 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 175.3 | -75.5 | -20.6 | 0 | 0 | 0 | 112.4 | V79 R88 A455 G456 T457 A462 R463 | V79-D459 WeakPolarHBondContact CG2-OD1 3.42Å; R88-D459 WeakPolarHBondContact CD-OD1 3.28Å; R88-D459 IonicContact CZ-OD1 2.73Å; R88-D459 IonicContact NE-OD1 2.8Å; R88-D459 VanDerWaalsContact NH1-CG 3.35Å; R88-D459 IonicContact NH1-OD1 2.95Å; R88-D459 PolarHBondContact NH1-OD1 2.98Å; R88-D459 IonicContact NH1-OD2 3.6Å; R88-D459 PolarHBondContact NH1-OD2 3.32Å; A455-D459 VanDerWaalsContact O-CG 3.3Å; A455-D459 PolarHBondContact O-N 3.42Å; G456-D459 PolarHBondContact O-N 2.85Å; T457-D459 VanDerWaalsContact C-N 3.3Å; T457-D459 PolarHBondContact O-N 3.47Å; D459-A462 PolarHBondContact O-N 3.06Å; D459-R463 WeakPolarHBondContact O-CG 2.94Å; D459-R463 PolarHBondContact O-N 2.93Å |
| 460 | A | 96.9 | Very high | 96.9 | Very high | 32 Ų | 32 | 50.7 Ų | 50.7 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | G456 T457 A462 R463 E464 | G456-A460 PolarHBondContact O-N 3.28Å; G456-A460 VanDerWaalsContact O-N 3.1Å; T457-A460 WeakPolarHBondContact O-CB 3.2Å; T457-A460 PolarHBondContact O-N 3.4Å; A460-A462 PolarHBondContact O-N 3.08Å; A460-R463 PolarHBondContact O-N 3.36Å; A460-E464 PolarHBondContact O-N 3.24Å |
| 461 | R | 96.6 | Very high | 96.8 | Very high | 100 Ų | 100 | 51.6 Ų | 51.6 | 38% | 0.377 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 176.4 | -68.4 | -57.1 | -173.9 | -178.6 | 0.6 | 113.3 | E77 T457 A458 E464 A465 | E77-R461 HydrophobicContact CB-CG 4.18Å; T457-R461 WeakPolarHBondContact O-CG 3.36Å; T457-R461 PolarHBondContact O-N 3.2Å; A458-R461 PolarHBondContact O-N 2.92Å; R461-E464 WeakPolarHBondContact CD-OE2 3.45Å; R461-E464 IonicContact CZ-OE2 3.99Å; R461-E464 IonicContact NH1-OE1 2.84Å; R461-E464 IonicContact NH1-OE2 2.58Å; R461-E464 PolarHBondContact NH1-OE2 3.26Å; R461-E464 PolarHBondContact O-N 3.27Å; R461-A465 VanDerWaalsContact O-CB 3.29Å; R461-A465 WeakPolarHBondContact O-CB 3.5Å; R461-A465 PolarHBondContact O-N 2.86Å |
| 462 | A | 96.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V79 A458 D459 A460 A465 R466 | V79-A462 HydrophobicContact CB-CB 3.87Å; V79-A462 HydrophobicContact CG2-CB 3.54Å; A458-A462 WeakPolarHBondContact O-CB 3.37Å; A458-A462 PolarHBondContact O-N 2.72Å; D459-A462 PolarHBondContact O-N 3.06Å; A460-A462 PolarHBondContact O-N 3.08Å; A462-A465 PolarHBondContact O-N 2.87Å; A462-R466 WeakPolarHBondContact O-CG 3.39Å; A462-R466 PolarHBondContact O-N 3.16Å |
| 463 | R | 97 | Very high | 96.5 | Very high | 141 Ų | 141 | 47.5 Ų | 47.5 | 53% | 0.532 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 173.4 | -75.4 | -175.9 | -69.8 | 140.2 | -4.2 | 111.8 | D459 A460 A465 R466 K467 | D459-R463 WeakPolarHBondContact O-CG 2.94Å; D459-R463 PolarHBondContact O-N 2.93Å; A460-R463 PolarHBondContact O-N 3.36Å; R463-A465 PolarHBondContact O-N 3.34Å; R463-R466 PolarHBondContact O-N 3.06Å; R463-K467 PolarHBondContact O-N 3.02Å |
| 464 | E | 96.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 39% | 0.388 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.2 | -47.4 | 173.4 | -71 | 177.4 | 179.9 | 0 | 0 | 111.5 | A460 R461 R466 K467 L468 | A460-E464 PolarHBondContact O-N 3.24Å; R461-E464 WeakPolarHBondContact CD-OE2 3.45Å; R461-E464 IonicContact CZ-OE2 3.99Å; R461-E464 IonicContact NH1-OE1 2.84Å; R461-E464 IonicContact NH1-OE2 2.58Å; R461-E464 PolarHBondContact NH1-OE2 3.26Å; R461-E464 PolarHBondContact O-N 3.27Å; E464-R466 VanDerWaalsContact C-N 3.29Å; E464-R466 PolarHBondContact O-N 2.94Å; E464-K467 WeakPolarHBondContact O-CB 3.39Å; E464-K467 PolarHBondContact O-N 2.95Å; E464-L468 WeakPolarHBondContact O-CG 3.38Å; E464-L468 PolarHBondContact O-N 3.16Å |
| 465 | A | 97 | Very high | 96 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.2 | -35.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | R461 A462 R463 S469 | R461-A465 VanDerWaalsContact O-CB 3.29Å; R461-A465 WeakPolarHBondContact O-CB 3.5Å; R461-A465 PolarHBondContact O-N 2.86Å; A462-A465 PolarHBondContact O-N 2.87Å; R463-A465 PolarHBondContact O-N 3.34Å; A465-S469 WeakPolarHBondContact O-CB 3.37Å; A465-S469 PolarHBondContact O-N 3.35Å |
| 466 | R | 95.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.3 | -42.5 | 173.8 | -77.9 | -163.2 | -170.5 | 93.4 | 11.1 | 112.7 | V56 A462 R463 E464 L468 S469 E470 F502 | V56-R466 HydrophobicContact CG2-CG 3.91Å; A462-R466 WeakPolarHBondContact O-CG 3.39Å; A462-R466 PolarHBondContact O-N 3.16Å; R463-R466 PolarHBondContact O-N 3.06Å; E464-R466 VanDerWaalsContact C-N 3.29Å; E464-R466 PolarHBondContact O-N 2.94Å; R466-L468 VanDerWaalsContact C-N 3.33Å; R466-L468 PolarHBondContact O-N 3.3Å; R466-S469 CarbonylContact O-C 3.47Å; R466-S469 WeakPolarHBondContact O-CA 3.44Å; R466-S469 VanDerWaalsContact O-CB 3.3Å; R466-S469 WeakPolarHBondContact O-CB 3.49Å; R466-S469 PolarHBondContact O-N 3.16Å; R466-S469 VanDerWaalsContact O-N 3.09Å; R466-E470 WeakPolarHBondContact O-CG 3.39Å; R466-E470 PolarHBondContact O-N 3.44Å; R466-F502 VanDerWaalsContact CZ-CD1 3.44Å; R466-F502 VanDerWaalsContact NH2-CD1 3.26Å; R466-F502 VanDerWaalsContact NH2-CD2 3.32Å |
| 467 | K | 96.5 | Very high | 95.4 | Very high | 127 Ų | 127 | 50 Ų | 50 | 55% | 0.552 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -58.1 | -47.6 | 174.7 | -167.3 | -167.6 | -179.5 | -134.4 | 0 | 111.1 | R463 E464 S469 E470 E471 | R463-K467 PolarHBondContact O-N 3.02Å; E464-K467 WeakPolarHBondContact O-CB 3.39Å; E464-K467 PolarHBondContact O-N 2.95Å; K467-S469 VanDerWaalsContact C-N 3.27Å; K467-S469 PolarHBondContact O-N 2.82Å; K467-E470 PolarHBondContact O-N 3.28Å; K467-E470 VanDerWaalsContact O-N 3.14Å; K467-E471 WeakPolarHBondContact CE-OE1 3.28Å; K467-E471 IonicContact NZ-OE1 3.83Å; K467-E471 PolarHBondContact NZ-OE1 2.88Å; K467-E471 WeakPolarHBondContact O-CG 3.2Å; K467-E471 PolarHBondContact O-N 3.21Å |
| 468 | L | 96.3 | Very high | 95.1 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.141 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -36.9 | 175 | -66.9 | 171.2 | 0 | 0 | 0 | 112.2 | L31 E46 R54 E464 R466 A472 | L31-L468 HydrophobicContact CD2-CB 4.32Å; L31-L468 HydrophobicContact CD2-CD2 4.03Å; E46-L468 HydrophobicContact CB-CD1 4.32Å; R54-L468 HydrophobicContact CB-CD1 3.79Å; E464-L468 WeakPolarHBondContact O-CG 3.38Å; E464-L468 PolarHBondContact O-N 3.16Å; R466-L468 VanDerWaalsContact C-N 3.33Å; R466-L468 PolarHBondContact O-N 3.3Å; L468-A472 VanDerWaalsContact O-CB 3.26Å; L468-A472 WeakPolarHBondContact O-CB 3.45Å; L468-A472 PolarHBondContact O-N 3.01Å |
| 469 | S | 95.9 | Very high | 94.7 | Very high | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.049 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -41 | 174.2 | 165.1 | 0 | 0 | 0 | 0 | 112.2 | S44 A465 R466 K467 R473 | S44-S469 WeakPolarHBondContact O-CB 3.27Å; S44-S469 PolarHBondContact OG-OG 3.37Å; A465-S469 WeakPolarHBondContact O-CB 3.37Å; A465-S469 PolarHBondContact O-N 3.35Å; R466-S469 CarbonylContact O-C 3.47Å; R466-S469 WeakPolarHBondContact O-CA 3.44Å; R466-S469 VanDerWaalsContact O-CB 3.3Å; R466-S469 WeakPolarHBondContact O-CB 3.49Å; R466-S469 PolarHBondContact O-N 3.16Å; R466-S469 VanDerWaalsContact O-N 3.09Å; K467-S469 VanDerWaalsContact C-N 3.27Å; K467-S469 PolarHBondContact O-N 2.82Å; S469-R473 WeakPolarHBondContact O-CB 3.3Å; S469-R473 WeakPolarHBondContact O-CD 3.34Å; S469-R473 WeakPolarHBondContact O-CG 3.13Å; S469-R473 PolarHBondContact O-N 3.28Å; S469-R473 PolarHBondContact OG-NE 3.27Å |
| 470 | E | 95.4 | Very high | 94.3 | Very high | 110 Ų | 110 | 55.8 Ų | 55.8 | 51% | 0.514 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.4 | -43 | 176.1 | -72.4 | 167 | -169.7 | 0 | 0 | 111.9 | R466 K467 R473 A474 | R466-E470 WeakPolarHBondContact O-CG 3.39Å; R466-E470 PolarHBondContact O-N 3.44Å; K467-E470 PolarHBondContact O-N 3.28Å; K467-E470 VanDerWaalsContact O-N 3.14Å; E470-R473 WeakPolarHBondContact O-CB 3.48Å; E470-R473 PolarHBondContact O-N 3.36Å; E470-A474 PolarHBondContact O-N 2.99Å |
| 471 | E | 95.9 | Very high | 93.9 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 174 | -69.1 | 171.2 | -172.6 | 0 | 0 | 110.7 | L31 K467 R473 A474 I475 | L31-E471 HydrophobicContact CD1-CB 3.83Å; K467-E471 WeakPolarHBondContact CE-OE1 3.28Å; K467-E471 IonicContact NZ-OE1 3.83Å; K467-E471 PolarHBondContact NZ-OE1 2.88Å; K467-E471 WeakPolarHBondContact O-CG 3.2Å; K467-E471 PolarHBondContact O-N 3.21Å; E471-R473 VanDerWaalsContact C-N 3.28Å; E471-R473 PolarHBondContact O-N 3.14Å; E471-A474 WeakPolarHBondContact O-CB 3.13Å; E471-A474 PolarHBondContact O-N 2.8Å; E471-A474 VanDerWaalsContact O-N 3.08Å; E471-I475 PolarHBondContact O-N 3.03Å |
| 472 | A | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -35.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L31 I33 L468 A476 | L31-A472 HydrophobicContact CB-CB 4.17Å; L31-A472 HydrophobicContact CD2-CB 4.47Å; I33-A472 HydrophobicContact CG1-CB 4.44Å; L468-A472 VanDerWaalsContact O-CB 3.26Å; L468-A472 WeakPolarHBondContact O-CB 3.45Å; L468-A472 PolarHBondContact O-N 3.01Å; A472-A476 WeakPolarHBondContact O-CB 3.35Å; A472-A476 PolarHBondContact O-N 3.46Å |
| 473 | R | 93.5 | Very high | 92.8 | Very high | 17 Ų | 17 | 61 Ų | 61 | 6% | 0.064 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -31.1 | 174.3 | -71.6 | 168.8 | -166.6 | -112 | -17.4 | 113.3 | I33 E42 S44 S469 E470 E471 R477 Q485 | I33-R473 HydrophobicContact CD1-CB 4.21Å; I33-R473 HydrophobicContact CD1-CG 3.57Å; E42-R473 IonicContact OE1-CZ 2.71Å; E42-R473 IonicContact OE1-NH1 2.81Å; E42-R473 IonicContact OE1-NH2 2.78Å; E42-R473 PolarHBondContact OE1-NH2 2.93Å; S44-R473 PolarHBondContact OG-NE 3.2Å; S44-R473 PolarHBondContact OG-NH2 3.42Å; S469-R473 WeakPolarHBondContact O-CB 3.3Å; S469-R473 WeakPolarHBondContact O-CD 3.34Å; S469-R473 WeakPolarHBondContact O-CG 3.13Å; S469-R473 PolarHBondContact O-N 3.28Å; S469-R473 PolarHBondContact OG-NE 3.27Å; E470-R473 WeakPolarHBondContact O-CB 3.48Å; E470-R473 PolarHBondContact O-N 3.36Å; E471-R473 VanDerWaalsContact C-N 3.28Å; E471-R473 PolarHBondContact O-N 3.14Å; R473-R477 WeakPolarHBondContact O-CG 3.25Å; R473-R477 PolarHBondContact O-N 3.31Å; R473-R477 PolarHBondContact O-NE 3.2Å; R473-Q485 VanDerWaalsContact CB-OE1 3.29Å; R473-Q485 PolarHBondContact O-NE2 2.69Å; R473-Q485 VanDerWaalsContact O-NE2 3.08Å |
| 474 | A | 93.2 | Very high | 92.1 | Very high | 45 Ų | 45 | 58.6 Ų | 58.6 | 37% | 0.372 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.5 | -47.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | E470 E471 A476 R477 E478 | E470-A474 PolarHBondContact O-N 2.99Å; E471-A474 WeakPolarHBondContact O-CB 3.13Å; E471-A474 PolarHBondContact O-N 2.8Å; E471-A474 VanDerWaalsContact O-N 3.08Å; A474-A476 VanDerWaalsContact C-N 3.32Å; A474-A476 PolarHBondContact O-N 3.41Å; A474-R477 WeakPolarHBondContact O-CB 3.38Å; A474-R477 PolarHBondContact O-N 3.07Å; A474-R477 VanDerWaalsContact O-N 3.09Å; A474-E478 PolarHBondContact O-N 3.4Å |
| 475 | I | 91.2 | Very high | 91.6 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 15% | 0.154 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 176.9 | -69.5 | 169.4 | 0 | 0 | 0 | 111.4 | L31 E471 R477 E478 F479 | L31-I475 HydrophobicContact CB-CD1 3.65Å; L31-I475 HydrophobicContact CD1-CD1 3.56Å; L31-I475 HydrophobicContact CG-CD1 4.23Å; E471-I475 PolarHBondContact O-N 3.03Å; I475-R477 VanDerWaalsContact C-N 3.28Å; I475-R477 PolarHBondContact O-N 3.39Å; I475-E478 WeakPolarHBondContact O-CB 3.21Å; I475-E478 PolarHBondContact O-N 2.85Å; I475-F479 HydrophobicContact CG2-CD2 3.46Å; I475-F479 VanDerWaalsContact CG2-CD2 3.46Å; I475-F479 HydrophobicContact CG2-CE2 3.14Å; I475-F479 HydrophobicContact CG2-CZ 4.01Å; I475-F479 PolarHBondContact O-N 2.85Å |
| 476 | A | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.4 | -33.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V20 I33 A472 A474 E478 S480 F483 | V20-A476 HydrophobicContact CB-CB 4.17Å; V20-A476 HydrophobicContact CG1-CB 3.94Å; I33-A476 HydrophobicContact CD1-CB 3.65Å; I33-A476 HydrophobicContact CG1-CB 4.04Å; A472-A476 WeakPolarHBondContact O-CB 3.35Å; A472-A476 PolarHBondContact O-N 3.46Å; A474-A476 VanDerWaalsContact C-N 3.32Å; A474-A476 PolarHBondContact O-N 3.41Å; A476-E478 VanDerWaalsContact C-N 3.31Å; A476-S480 CarbonylContact O-C 3.53Å; A476-S480 PolarHBondContact O-N 3.39Å; A476-F483 HydrophobicContact CB-CD1 4.49Å |
| 477 | R | 90.7 | Very high | 90.2 | Very high | 136 Ų | 136 | 56.3 Ų | 56.3 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70.2 | -29.2 | 174 | -70.9 | 179.8 | -129.6 | 112.8 | 2.7 | 112.4 | R473 A474 I475 P481 | R473-R477 WeakPolarHBondContact O-CG 3.25Å; R473-R477 PolarHBondContact O-N 3.31Å; R473-R477 PolarHBondContact O-NE 3.2Å; A474-R477 WeakPolarHBondContact O-CB 3.38Å; A474-R477 PolarHBondContact O-N 3.07Å; A474-R477 VanDerWaalsContact O-N 3.09Å; I475-R477 VanDerWaalsContact C-N 3.28Å; I475-R477 PolarHBondContact O-N 3.39Å; R477-P481 WeakPolarHBondContact O-CA 3.31Å; R477-P481 VanDerWaalsContact O-CG 3.31Å; R477-P481 WeakPolarHBondContact O-CG 3.49Å |
| 478 | E | 90.7 | Very high | 89.6 | Confident | 149 Ų | 149 | 52.6 Ų | 52.6 | 70% | 0.696 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -73.9 | -47.6 | 176.8 | -174.3 | 177.9 | 177 | 0 | 0 | 111.2 | A474 I475 A476 | A474-E478 PolarHBondContact O-N 3.4Å; I475-E478 WeakPolarHBondContact O-CB 3.21Å; I475-E478 PolarHBondContact O-N 2.85Å; A476-E478 VanDerWaalsContact C-N 3.31Å |
| 479 | F | 89.8 | Confident | 88.9 | Confident | 76 Ų | 76 | 55.2 Ų | 55.2 | 33% | 0.333 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -75.1 | -30.7 | -179.1 | -66.2 | -40.2 | 0 | 0 | 0 | 114.2 | G8 V20 E22 I475 | G8-F479 VanDerWaalsContact CA-CZ 3.5Å; V20-F479 HydrophobicContact CG1-CB 3.9Å; E22-F479 HydrophobicContact CG-CE2 4.3Å; I475-F479 HydrophobicContact CG2-CD2 3.46Å; I475-F479 VanDerWaalsContact CG2-CD2 3.46Å; I475-F479 HydrophobicContact CG2-CE2 3.14Å; I475-F479 HydrophobicContact CG2-CZ 4.01Å; I475-F479 PolarHBondContact O-N 2.85Å |
| 480 | S | 88.7 | Confident | 88.2 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | trans | -151.2 | 81.2 | -177.5 | -179.3 | 0 | 0 | 0 | 0 | 110.1 | R10 A476 E482 F483 | R10-S480 VanDerWaalsContact CD-OG 3.26Å; R10-S480 WeakPolarHBondContact CD-OG 3.27Å; R10-S480 PolarHBondContact NH1-OG 2.79Å; A476-S480 CarbonylContact O-C 3.53Å; A476-S480 PolarHBondContact O-N 3.39Å; S480-E482 PolarHBondContact O-N 2.97Å; S480-E482 VanDerWaalsContact O-N 3.13Å; S480-E482 PolarHBondContact OG-OE1 3.29Å; S480-E482 PolarHBondContact OG-OE2 2.57Å; S480-F483 VanDerWaalsContact O-CB 3.23Å; S480-F483 WeakPolarHBondContact O-CB 3.28Å; S480-F483 PolarHBondContact O-N 2.87Å; S480-F483 WeakPolarHBondContact OG-CB 3.47Å | ||
| 481 | P | 87.5 | Confident | 87.6 | Confident | 105 Ų | 105 | 54 Ų | 54 | 68% | 0.682 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -27.1 | -179.3 | -22.8 | 30.7 | 0 | 0 | 0 | 114.2 | R477 F483 | R477-P481 WeakPolarHBondContact O-CA 3.31Å; R477-P481 VanDerWaalsContact O-CG 3.31Å; R477-P481 WeakPolarHBondContact O-CG 3.49Å; P481-F483 VanDerWaalsContact C-N 3.32Å |
| 482 | E | 86.6 | Confident | 86.9 | Confident | 117 Ų | 117 | 58.2 Ų | 58.2 | 55% | 0.547 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -10.5 | 177.7 | 77.4 | -68.8 | 167.2 | 0 | 0 | 113.9 | R10 S480 V484 | R10-E482 IonicContact NH1-OE1 3.55Å; R10-E482 PolarHBondContact NH1-OE1 3.17Å; S480-E482 PolarHBondContact O-N 2.97Å; S480-E482 VanDerWaalsContact O-N 3.13Å; S480-E482 PolarHBondContact OG-OE1 3.29Å; S480-E482 PolarHBondContact OG-OE2 2.57Å; E482-V484 PolarHBondContact O-N 3.13Å |
| 483 | F | 85.2 | Confident | 85.9 | Confident | 19 Ų | 19 | 64.5 Ų | 64.5 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | trans | -68.7 | 117.6 | -179.9 | 176.7 | -109.1 | 0 | 0 | 0 | 111.6 | V20 I33 T35 A476 S480 P481 Q485 | V20-F483 HydrophobicContact CG2-CB 4.2Å; V20-F483 HydrophobicContact CG2-CD1 4Å; V20-F483 HydrophobicContact CG2-CD2 3.83Å; V20-F483 HydrophobicContact CG2-CE1 4.32Å; V20-F483 HydrophobicContact CG2-CE2 4.18Å; V20-F483 HydrophobicContact CG2-CG 3.73Å; V20-F483 HydrophobicContact CG2-CZ 4.4Å; I33-F483 HydrophobicContact CB-CE1 4.19Å; I33-F483 HydrophobicContact CD1-CE1 4.38Å; I33-F483 HydrophobicContact CG2-CE1 3.84Å; I33-F483 HydrophobicContact CG2-CZ 4.05Å; T35-F483 HydrophobicContact CG2-CE2 4.29Å; T35-F483 HydrophobicContact CG2-CZ 3.9Å; A476-F483 HydrophobicContact CB-CD1 4.49Å; S480-F483 VanDerWaalsContact O-CB 3.23Å; S480-F483 WeakPolarHBondContact O-CB 3.28Å; S480-F483 PolarHBondContact O-N 2.87Å; S480-F483 WeakPolarHBondContact OG-CB 3.47Å; P481-F483 VanDerWaalsContact C-N 3.32Å; F483-Q485 HydrophobicContact CD1-CG 3.87Å; F483-Q485 HydrophobicContact CE1-CG 3.94Å; F483-Q485 PolarHBondContact O-N 3.32Å | ||
| 484 | V | 82 | Confident | 84.8 | Confident | 92 Ų | 92 | 64.5 Ų | 64.5 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | trans | -80.9 | 109.4 | -179.6 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | E482 L486 | E482-V484 PolarHBondContact O-N 3.13Å; V484-L486 HydrophobicContact CG1-CD2 3.8Å; V484-L486 HydrophobicContact CG1-CG 4.38Å; V484-L486 PolarHBondContact O-N 2.74Å | ||
| 485 | Q | 84.9 | Confident | 83.6 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | trans | -79.5 | 79.9 | 177.7 | -58.1 | -178.7 | 21.3 | 0 | 0 | 111.2 | I33 E42 R473 F483 G487 I488 | I33-Q485 HydrophobicContact CD1-CG 4.25Å; E42-Q485 VanDerWaalsContact OE2-C 3.25Å; E42-Q485 WeakPolarHBondContact OE2-CA 3.22Å; R473-Q485 VanDerWaalsContact CB-OE1 3.29Å; R473-Q485 PolarHBondContact O-NE2 2.69Å; R473-Q485 VanDerWaalsContact O-NE2 3.08Å; F483-Q485 HydrophobicContact CD1-CG 3.87Å; F483-Q485 HydrophobicContact CE1-CG 3.94Å; F483-Q485 PolarHBondContact O-N 3.32Å; Q485-G487 PolarHBondContact O-N 2.88Å; Q485-I488 HydrophobicContact CB-CD1 3.99Å; Q485-I488 HydrophobicContact CB-CG1 4.22Å; Q485-I488 PolarHBondContact O-N 2.76Å | ||
| 486 | L | 82.8 | Confident | 82.4 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -27.6 | -176 | -65.6 | 178.4 | 0 | 0 | 0 | 113.8 | N39 E42 V484 I488 L489 W490 | N39-L486 HydrophobicContact CB-CD1 3.54Å; E42-L486 PolarHBondContact OE2-N 2.93Å; E42-L486 VanDerWaalsContact OE2-N 3.08Å; V484-L486 HydrophobicContact CG1-CD2 3.8Å; V484-L486 HydrophobicContact CG1-CG 4.38Å; V484-L486 PolarHBondContact O-N 2.74Å; L486-I488 VanDerWaalsContact C-N 3.27Å; L486-I488 PolarHBondContact O-N 3.31Å; L486-L489 HydrophobicContact CD2-CD1 4.05Å; L486-L489 WeakPolarHBondContact O-CA 3.37Å; L486-L489 WeakPolarHBondContact O-CB 3.46Å; L486-L489 PolarHBondContact O-N 2.92Å; L486-W490 HydrophobicContact CB-CD2 4.38Å; L486-W490 HydrophobicContact CB-CE3 4.38Å; L486-W490 HydrophobicContact CB-CH2 3.6Å; L486-W490 HydrophobicContact CB-CZ2 3.65Å; L486-W490 HydrophobicContact CB-CZ3 3.99Å; L486-W490 HydrophobicContact CD1-CH2 3.92Å; L486-W490 HydrophobicContact CD1-CZ2 3.76Å; L486-W490 HydrophobicContact CG-CH2 4.44Å; L486-W490 HydrophobicContact CG-CZ2 4.32Å; L486-W490 PolarHBondContact O-N 3.32Å |
| 487 | G | 80.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.3 | -36.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E42 I58 Q485 L489 W490 E491 | E42-G487 VanDerWaalsContact CD-N 3.3Å; E42-G487 VanDerWaalsContact OE1-CA 3.28Å; E42-G487 WeakPolarHBondContact OE1-CA 3.13Å; E42-G487 PolarHBondContact OE1-N 2.98Å; E42-G487 PolarHBondContact OE2-N 2.93Å; I58-G487 WeakPolarHBondContact CD1-O 3.25Å; Q485-G487 PolarHBondContact O-N 2.88Å; G487-L489 VanDerWaalsContact C-N 3.26Å; G487-L489 PolarHBondContact O-N 2.79Å; G487-W490 PolarHBondContact O-N 2.81Å; G487-E491 WeakPolarHBondContact O-CB 3.25Å; G487-E491 PolarHBondContact O-N 3.15Å |
| 488 | I | 83.6 | Confident | 79.2 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 26% | 0.256 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 173.4 | -58.2 | 178 | 0 | 0 | 0 | 110.4 | Q485 L486 K492 | Q485-I488 HydrophobicContact CB-CD1 3.99Å; Q485-I488 HydrophobicContact CB-CG1 4.22Å; Q485-I488 PolarHBondContact O-N 2.76Å; L486-I488 VanDerWaalsContact C-N 3.27Å; L486-I488 PolarHBondContact O-N 3.31Å; I488-K492 HydrophobicContact CG2-CD 4.03Å; I488-K492 HydrophobicContact CG2-CG 4.49Å; I488-K492 WeakPolarHBondContact O-CB 3.35Å; I488-K492 VanDerWaalsContact O-CG 3.29Å; I488-K492 WeakPolarHBondContact O-CG 3.49Å; I488-K492 PolarHBondContact O-N 3.47Å |
| 489 | L | 82.6 | Confident | 77.2 | Confident | 82 Ų | 82 | 68 Ų | 68 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.9 | -44.9 | -177 | -58.7 | 178.5 | 0 | 0 | 0 | 111 | L486 G487 K492 Q493 | L486-L489 HydrophobicContact CD2-CD1 4.05Å; L486-L489 WeakPolarHBondContact O-CA 3.37Å; L486-L489 WeakPolarHBondContact O-CB 3.46Å; L486-L489 PolarHBondContact O-N 2.92Å; G487-L489 VanDerWaalsContact C-N 3.26Å; G487-L489 PolarHBondContact O-N 2.79Å; L489-K492 PolarHBondContact O-N 2.87Å; L489-Q493 VanDerWaalsContact O-CG 3.24Å; L489-Q493 WeakPolarHBondContact O-CG 3.43Å; L489-Q493 PolarHBondContact O-N 2.71Å |
| 490 | W | 81.7 | Confident | 75.4 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 12% | 0.121 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 178.6 | -59.8 | -38.9 | 0 | 0 | 0 | 112.6 | N39 G41 E42 I58 P60 L486 G487 Q493 N494 | N39-W490 WeakPolarHBondContact O-CH2 3.24Å; G41-W490 VanDerWaalsContact CA-CZ3 3.48Å; G41-W490 VanDerWaalsContact N-CH2 3.33Å; E42-W490 HydrophobicContact CB-CZ3 3.99Å; I58-W490 HydrophobicContact CG2-CB 3.94Å; I58-W490 HydrophobicContact CG2-CE3 4.04Å; P60-W490 HydrophobicContact CB-CZ2 4.31Å; P60-W490 HydrophobicContact CG-CH2 4.35Å; P60-W490 HydrophobicContact CG-CZ2 4.32Å; L486-W490 HydrophobicContact CB-CD2 4.38Å; L486-W490 HydrophobicContact CB-CE3 4.38Å; L486-W490 HydrophobicContact CB-CH2 3.6Å; L486-W490 HydrophobicContact CB-CZ2 3.65Å; L486-W490 HydrophobicContact CB-CZ3 3.99Å; L486-W490 HydrophobicContact CD1-CH2 3.92Å; L486-W490 HydrophobicContact CD1-CZ2 3.76Å; L486-W490 HydrophobicContact CG-CH2 4.44Å; L486-W490 HydrophobicContact CG-CZ2 4.32Å; L486-W490 PolarHBondContact O-N 3.32Å; G487-W490 PolarHBondContact O-N 2.81Å; W490-Q493 PolarHBondContact O-N 2.78Å; W490-N494 PolarHBondContact O-N 2.79Å |
| 491 | E | 82.7 | Confident | 73.7 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 174.5 | -178.3 | 166.1 | -150.2 | 0 | 0 | 111.5 | I58 I64 G487 Q493 N494 M497 | I58-E491 HydrophobicContact CD1-CB 4.29Å; I64-E491 HydrophobicContact CD1-CB 4.34Å; I64-E491 HydrophobicContact CD1-CG 3.86Å; G487-E491 WeakPolarHBondContact O-CB 3.25Å; G487-E491 PolarHBondContact O-N 3.15Å; E491-Q493 PolarHBondContact O-N 2.99Å; E491-N494 WeakPolarHBondContact O-CB 3.28Å; E491-N494 PolarHBondContact O-N 3.46Å; E491-N494 VanDerWaalsContact O-N 3.08Å; E491-M497 HydrophobicContact CG-CE 4.39Å; E491-M497 WeakPolarHBondContact OE1-CE 3.41Å |
| 492 | K | 81.1 | Confident | 71.9 | Confident | 155 Ų | 155 | 69.2 Ų | 69.2 | 67% | 0.674 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.8 | -28.9 | 175.9 | -75.3 | 179.2 | -179.8 | -176.9 | 0 | 113.2 | I488 L489 N494 | I488-K492 HydrophobicContact CG2-CD 4.03Å; I488-K492 HydrophobicContact CG2-CG 4.49Å; I488-K492 WeakPolarHBondContact O-CB 3.35Å; I488-K492 VanDerWaalsContact O-CG 3.29Å; I488-K492 WeakPolarHBondContact O-CG 3.49Å; I488-K492 PolarHBondContact O-N 3.47Å; L489-K492 PolarHBondContact O-N 2.87Å; K492-N494 VanDerWaalsContact C-N 3.33Å |
| 493 | Q | 73.3 | Confident | 69.7 | Low | 132 Ų | 132 | 67 Ų | 67 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -75.7 | -17.6 | 177 | -75.5 | 173.2 | 20.8 | 0 | 0 | 113.5 | L489 W490 E491 P495 | L489-Q493 VanDerWaalsContact O-CG 3.24Å; L489-Q493 WeakPolarHBondContact O-CG 3.43Å; L489-Q493 PolarHBondContact O-N 2.71Å; W490-Q493 PolarHBondContact O-N 2.78Å; E491-Q493 PolarHBondContact O-N 2.99Å; Q493-P495 WeakPolarHBondContact O-CD 3.37Å |
| 494 | N | 71.6 | Confident | 67.2 | Low | 17 Ų | 17 | 72 Ų | 72 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | trans | -77.6 | 106.4 | 179.1 | -171.9 | -15.1 | 0 | 0 | 0 | 110.1 | G62 W490 E491 K492 L496 M497 | G62-N494 PolarHBondContact O-ND2 3.4Å; W490-N494 PolarHBondContact O-N 2.79Å; E491-N494 WeakPolarHBondContact O-CB 3.28Å; E491-N494 PolarHBondContact O-N 3.46Å; E491-N494 VanDerWaalsContact O-N 3.08Å; K492-N494 VanDerWaalsContact C-N 3.33Å; N494-L496 PolarHBondContact O-N 3.13Å; N494-L496 VanDerWaalsContact O-N 3.12Å; N494-L496 PolarHBondContact OD1-N 2.83Å; N494-M497 HydrophobicContact CB-CB 4.41Å; N494-M497 HydrophobicContact CB-CG 3.75Å; N494-M497 PolarHBondContact O-N 3.5Å | ||
| 495 | P | 66.3 | Low | 64.6 | Low | 63 Ų | 63 | 71 Ų | 71 | 41% | 0.409 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -66.7 | -19.2 | -173.3 | 28.3 | -35 | 0 | 0 | 0 | 113.2 | W183 Q493 M497 | W183-P495 HydrophobicContact CH2-CG 4.11Å; W183-P495 HydrophobicContact CZ2-CG 3.95Å; W183-P495 HydrophobicContact CZ3-CG 4.49Å; Q493-P495 WeakPolarHBondContact O-CD 3.37Å; P495-M497 VanDerWaalsContact C-N 3.32Å |
| 496 | L | 67.1 | Low | 62.1 | Low | 54 Ų | 54 | 74.8 Ų | 74.8 | 28% | 0.283 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -84.9 | -5.6 | -178.6 | -64.2 | 168.7 | 0 | 0 | 0 | 113.2 | G83 R84 L105 T106 N494 | G83-L496 WeakPolarHBondContact O-CD1 3.4Å; R84-L496 HydrophobicContact CB-CD1 4.39Å; R84-L496 HydrophobicContact CG-CD1 3.89Å; L105-L496 HydrophobicContact CD1-CB 4.31Å; T106-L496 HydrophobicContact CG2-CD1 4.38Å; T106-L496 HydrophobicContact CG2-CD2 3.66Å; N494-L496 PolarHBondContact O-N 3.13Å; N494-L496 VanDerWaalsContact O-N 3.12Å; N494-L496 PolarHBondContact OD1-N 2.83Å |
| 497 | M | 63.7 | Low | 59.6 | Low | 31 Ų | 31 | 75.8 Ų | 75.8 | 15% | 0.153 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -86.1 | -13.8 | 179.7 | -70.6 | -66.7 | -66.9 | 0 | 0 | 113.5 | I64 I81 E491 N494 P495 K499 F502 | I64-M497 HydrophobicContact CD1-CE 3.69Å; I64-M497 HydrophobicContact CD1-CG 4.48Å; I64-M497 HydrophobicContact CD1-SD 4.13Å; I81-M497 HydrophobicContact CD1-CE 3.78Å; I81-M497 HydrophobicContact CD1-SD 3.27Å; I81-M497 WeakPolarHBondContact CD1-SD 3.32Å; I81-M497 HydrophobicContact CG2-SD 4.41Å; E491-M497 HydrophobicContact CG-CE 4.39Å; E491-M497 WeakPolarHBondContact OE1-CE 3.41Å; N494-M497 HydrophobicContact CB-CB 4.41Å; N494-M497 HydrophobicContact CB-CG 3.75Å; N494-M497 PolarHBondContact O-N 3.5Å; P495-M497 VanDerWaalsContact C-N 3.32Å; M497-K499 PolarHBondContact O-N 2.79Å; M497-F502 HydrophobicContact CE-CD2 4.12Å; M497-F502 HydrophobicContact CE-CE2 3.66Å; M497-F502 HydrophobicContact SD-CE2 4.21Å |
| 498 | K | 51.4 | Low | 57.4 | Low | 167 Ų | 167 | 80.1 Ų | 80.1 | 73% | 0.726 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -79.1 | 85.1 | -176.7 | -67.5 | -171.6 | 178.1 | -171.4 | 0 | 111.4 | ||
| 499 | K | 47.6 | Very low | 55.1 | Low | 120 Ų | 120 | 85.4 Ų | 85.4 | 52% | 0.522 | 45% | 0.447 | S | S | . | . | S | Bend | 154.9 | -31.2 | 123.4 | -91.3 | 175.6 | 123.9 | 103.5 | 0 | 115.2 | M497 N507 | M497-K499 PolarHBondContact O-N 2.79Å; K499-N507 WeakPolarHBondContact CE-ND2 3.25Å; K499-N507 PolarHBondContact NZ-ND2 3.11Å | |
| 500 | D | 51.4 | Low | 53 | Low | 140 Ų | 140 | 89.3 Ų | 89.3 | 75% | 0.749 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -138.9 | 0.2 | -168.7 | -60.7 | -55.5 | 0 | 0 | 0 | 116.9 | F502 | D500-F502 PolarHBondContact O-N 2.94Š|
| 501 | V | 54.7 | Low | 50.8 | Low | 29 Ų | 29 | 92.3 Ų | 92.3 | 18% | 0.176 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23.6 | -172.3 | -171.1 | 0 | 0 | 0 | 0 | 113.1 | R88 L105 | R88-V501 PolarHBondContact NH2-O 3.09Å; L105-V501 HydrophobicContact CD2-CG1 4.07Å; L105-V501 HydrophobicContact CD2-CG2 3.92Å |
| 502 | F | 49.5 | Very low | 48.4 | Very low | 38 Ų | 38 | 95.5 Ų | 95.5 | 17% | 0.167 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 8.3 | -172.9 | -59 | -62.3 | 0 | 0 | 0 | 115.6 | V79 I81 R466 M497 D500 F504 | V79-F502 HydrophobicContact CG1-CE1 3.94Å; V79-F502 HydrophobicContact CG1-CZ 4.28Å; I81-F502 HydrophobicContact CD1-CE2 3.37Å; I81-F502 HydrophobicContact CD1-CZ 3.3Å; I81-F502 HydrophobicContact CG1-CE2 4.46Å; I81-F502 HydrophobicContact CG1-CZ 3.95Å; R466-F502 VanDerWaalsContact CZ-CD1 3.44Å; R466-F502 VanDerWaalsContact NH2-CD1 3.26Å; R466-F502 VanDerWaalsContact NH2-CD2 3.32Å; M497-F502 HydrophobicContact CE-CD2 4.12Å; M497-F502 HydrophobicContact CE-CE2 3.66Å; M497-F502 HydrophobicContact SD-CE2 4.21Å; D500-F502 PolarHBondContact O-N 2.94Å; F502-F504 HydrophobicContact CB-CD2 4.27Å; F502-F504 WeakPolarHBondContact O-CD2 3.28Å; F502-F504 PolarHBondContact O-N 2.98Å |
| 503 | G | 40.1 | Very low | 46.3 | Very low | 71 Ų | 71 | 95.1 Ų | 95.1 | 73% | 0.732 | 50% | 0.504 | S | S | * | . | S | Bend | trans | 69.1 | 15.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 504 | F | 31.6 | Very low | 44.9 | Very low | 124 Ų | 124 | 92.6 Ų | 92.6 | 54% | 0.544 | 51% | 0.506 | S | S | . | . | trans | -103.3 | 98 | 171.2 | -71.2 | -82.7 | 0 | 0 | 0 | 109.4 | F502 S506 | F502-F504 HydrophobicContact CB-CD2 4.27Å; F502-F504 WeakPolarHBondContact O-CD2 3.28Å; F502-F504 PolarHBondContact O-N 2.98Å; F504-S506 VanDerWaalsContact C-N 3.32Å; F504-S506 PolarHBondContact O-N 3.39Å | ||
| 505 | S | 27.7 | Very low | 43 | Very low | 69 Ų | 69 | 101.8 Ų | 101.8 | 48% | 0.483 | 54% | 0.539 | S | S | . | . | trans | -71.3 | 92.4 | 162.9 | -176.4 | 0 | 0 | 0 | 0 | 108 | N507 | S505-N507 PolarHBondContact O-N 2.74Š| ||
| 506 | S | 32.5 | Very low | 41.1 | Very low | 98 Ų | 98 | 101.9 Ų | 101.9 | 69% | 0.685 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 9 | 171.7 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | F504 N508 | F504-S506 VanDerWaalsContact C-N 3.32Å; F504-S506 PolarHBondContact O-N 3.39Å; S506-N508 VanDerWaalsContact C-N 3.25Å; S506-N508 PolarHBondContact O-N 3.14Å |
| 507 | N | 30 | Very low | 39.4 | Very low | 60 Ų | 60 | 110.3 Ų | 110.3 | 32% | 0.321 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | 2.5 | 176.1 | -55.4 | -60.1 | 0 | 0 | 0 | 113.4 | K499 S505 E509 | K499-N507 WeakPolarHBondContact CE-ND2 3.25Å; K499-N507 PolarHBondContact NZ-ND2 3.11Å; S505-N507 PolarHBondContact O-N 2.74Å; N507-E509 VanDerWaalsContact C-N 3.32Å |
| 508 | N | 34.4 | Very low | 37.6 | Very low | 92 Ų | 92 | 119.9 Ų | 119.9 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -77.6 | -16 | 176.4 | -72.4 | 1.8 | 0 | 0 | 0 | 112.8 | S506 L512 | S506-N508 VanDerWaalsContact C-N 3.25Å; S506-N508 PolarHBondContact O-N 3.14Å; N508-L512 HydrophobicContact CB-CD1 3.91Å; N508-L512 VanDerWaalsContact O-CB 3.3Å; N508-L512 WeakPolarHBondContact O-CB 3.39Å; N508-L512 WeakPolarHBondContact O-CD1 3.46Å; N508-L512 PolarHBondContact O-N 3.14Å |
| 509 | E | 35.3 | Very low | 36.4 | Very low | 160 Ų | 160 | 118.3 Ų | 118.3 | 75% | 0.748 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73 | -33.5 | 177 | -84.7 | -174.8 | 159.2 | 0 | 0 | 113.3 | N507 I513 | N507-E509 VanDerWaalsContact C-N 3.32Å; E509-I513 WeakPolarHBondContact O-CG1 3.48Å |
| 510 | E | 39.1 | Very low | 35.5 | Very low | 165 Ų | 165 | 119.4 Ų | 119.4 | 77% | 0.771 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.4 | -31.8 | 173.3 | -78.4 | -175.6 | 162.6 | 0 | 0 | 112 | ||
| 511 | D | 36.4 | Very low | 34.3 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 51% | 0.508 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -80.5 | -26.6 | 177.6 | -85 | -13.9 | 0 | 0 | 0 | 113.9 | A514 R515 | D511-A514 PolarHBondContact O-N 3.21Å; D511-R515 PolarHBondContact O-N 2.82Å |
| 512 | L | 31.7 | Very low | 33 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.9 | -32 | 175 | -97.7 | 108.2 | 0 | 0 | 0 | 112.7 | N508 A514 R515 | N508-L512 HydrophobicContact CB-CD1 3.91Å; N508-L512 VanDerWaalsContact O-CB 3.3Å; N508-L512 WeakPolarHBondContact O-CB 3.39Å; N508-L512 WeakPolarHBondContact O-CD1 3.46Å; N508-L512 PolarHBondContact O-N 3.14Å; L512-A514 VanDerWaalsContact C-N 3.27Å; L512-A514 PolarHBondContact O-N 3.46Å; L512-R515 PolarHBondContact O-N 3.17Å |
| 513 | I | 37.3 | Very low | 31.8 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -69.5 | -31 | 173 | -61.5 | 172.6 | 0 | 0 | 0 | 110.2 | E509 | E509-I513 WeakPolarHBondContact O-CG1 3.48Å |
| 514 | A | 43.7 | Very low | 31 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -75.7 | -20.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D511 L512 | D511-A514 PolarHBondContact O-N 3.21Å; L512-A514 VanDerWaalsContact C-N 3.27Å; L512-A514 PolarHBondContact O-N 3.46Å |
| 515 | R | 32.2 | Very low | 30.6 | Very low | 210 Ų | 210 | 135 Ų | 135 | 79% | 0.792 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 11.4 | -176.8 | -66.9 | -171 | -177.3 | -161.4 | 2.3 | 115.2 | D511 L512 R517 | D511-R515 PolarHBondContact O-N 2.82Å; L512-R515 PolarHBondContact O-N 3.17Å; R515-R517 PolarHBondContact O-N 2.86Å |
| 516 | G | 26.3 | Very low | 30.5 | Very low | 64 Ų | 64 | 136.1 Ų | 136.1 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | -73.9 | 60.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 517 | R | 30.1 | Very low | 30 | Very low | 232 Ų | 232 | 141 Ų | 141 | 88% | 0.875 | 73% | 0.734 | S | S | * | * | trans | -175.5 | 89.7 | 156.2 | -109.2 | -175 | -150.5 | -172.5 | 7 | 109.9 | R515 | R515-R517 PolarHBondContact O-N 2.86Š| ||
| 518 | R | 27.7 | Very low | 29.7 | Very low | 232 Ų | 232 | 141.3 Ų | 141.3 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | trans | 179.1 | 95.7 | 143.2 | -98.7 | 164.6 | -171 | -152.3 | 2.3 | 107.7 | D520 | R518-D520 PolarHBondContact O-N 2.84Š| ||
| 519 | T | 25.8 | Very low | 29.1 | Very low | 134 Ų | 134 | 146 Ų | 146 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -71.2 | 98.7 | 165.1 | 45 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 520 | D | 27.5 | Very low | 28.6 | Very low | 142 Ų | 142 | 146.2 Ų | 146.2 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -133.2 | 108.4 | 158.6 | -77.1 | -45 | 0 | 0 | 0 | 108 | R518 N522 | R518-D520 PolarHBondContact O-N 2.84Å; D520-N522 PolarHBondContact O-N 3.4Å | ||
| 521 | V | 26.2 | Very low | 28 | Very low | 139 Ų | 139 | 147.5 Ų | 147.5 | 84% | 0.842 | 78% | 0.781 | S | S | * | * | trans | -77.6 | 106.3 | -179.3 | -150.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 522 | N | 27.5 | Very low | 27.3 | Very low | 160 Ų | 160 | 151.1 Ų | 151.1 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -140.5 | 100.7 | 162 | -88.7 | -32.8 | 0 | 0 | 0 | 109.6 | D520 | D520-N522 PolarHBondContact O-N 3.4Š| ||
| 523 | S | 24.8 | Very low | 27.1 | Very low | 100 Ų | 100 | 152.6 Ų | 152.6 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -49.4 | 134.6 | 160.2 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 524 | L | 24.4 | Very low | 26.4 | Very low | 162 Ų | 162 | 152.2 Ų | 152.2 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -175.4 | 105.7 | 138.1 | -97.4 | 149.6 | 0 | 0 | 0 | 111.5 | ||||
| 525 | H | 22.5 | Very low | 25.6 | Very low | 170 Ų | 170 | 156.4 Ų | 156.4 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | 33.4 | 123 | 135.3 | -87.4 | 69.7 | 0 | 0 | 0 | 121 | ||||
| 526 | A | 24.4 | Very low | 25.3 | Very low | 91 Ų | 91 | 149.6 Ų | 149.6 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | trans | -55.5 | 137.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 527 | Q | 23.9 | Very low | 25.7 | Very low | 200 Ų | 200 | 152 Ų | 152 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | -171.3 | 135.5 | 147.7 | -108.8 | 169.8 | 17.6 | 0 | 0 | 112.9 | ||||
| 528 | G | 23.5 | Very low | 25.4 | Very low | 67 Ų | 67 | 147.7 Ų | 147.7 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | 82 | 106.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 529 | M | 21.9 | Very low | 25.5 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | cis | 51.8 | 85.8 | 47.4 | -68.6 | -89.4 | -73.4 | 0 | 0 | 113.7 | ||||
| 530 | L | 24.4 | Very low | 25.4 | Very low | 165 Ų | 165 | 144 Ų | 144 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -137.4 | 100.6 | 164 | -75.5 | 167.5 | 0 | 0 | 0 | 106.9 | ||||
| 531 | K | 25.6 | Very low | 25.3 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | 53.2 | 84.3 | 86.7 | -79.7 | -166.9 | 176.4 | -177.1 | 0 | 115.2 | |||||
| 532 | E | 22.4 | Very low | 25.4 | Very low | 171 Ų | 171 | 144.1 Ų | 144.1 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | 33.1 | 98.9 | 125.4 | -137.9 | 168.8 | -164.5 | 0 | 0 | 117.6 | |||||
| 533 | N | 26.6 | Very low | 25.3 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -87.4 | 110.8 | 169.9 | -83.5 | -18.4 | 0 | 0 | 0 | 110.7 | L535 | N533-L535 PolarHBondContact O-N 3.44Š| ||
| 534 | T | 24.1 | Very low | 25.5 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -76.9 | 108.8 | 168.6 | -47.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 535 | L | 26.7 | Very low | 25.8 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 120.8 | 174.9 | -78.7 | 157.9 | 0 | 0 | 0 | 110.4 | N533 | N533-L535 PolarHBondContact O-N 3.44Š|
| 536 | G | 25.5 | Very low | 25.9 | Very low | 66 Ų | 66 | 139.3 Ų | 139.3 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72 | 169.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 537 | P | 33.7 | Very low | 26 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 168.2 | -172.8 | 36.8 | -33.1 | 0 | 0 | 0 | 112.1 | ||
| 538 | D | 24.6 | Very low | 26.2 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | trans | 86.9 | 88.3 | 166.8 | -53.4 | -21.1 | 0 | 0 | 0 | 116.8 | ||||
| 539 | N | 28.6 | Very low | 26.6 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | trans | -151.4 | 86.8 | 135 | -90.5 | -35.6 | 0 | 0 | 0 | 108.6 | ||||
| 540 | S | 24 | Very low | 26.8 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -76.7 | 146.6 | 166 | 51.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 541 | A | 25.9 | Very low | 26.7 | Very low | 91 Ų | 91 | 137.1 Ų | 137.1 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | 77.3 | 84.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 542 | Q | 28.1 | Very low | 26.8 | Very low | 193 Ų | 193 | 131 Ų | 131 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -135.1 | 91.8 | 135.4 | -79.6 | -165.9 | -16 | 0 | 0 | 110.9 | G544 | Q542-G544 PolarHBondContact O-N 3.39Š| ||
| 543 | I | 26 | Very low | 27.1 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 80% | 0.795 | 80% | 0.802 | S | S | * | * | trans | 25.7 | 91 | 136.6 | -51.7 | 172.9 | 0 | 0 | 0 | 114.8 | N545 | I543-N545 PolarHBondContact O-N 3.04Š| ||
| 544 | G | 28.1 | Very low | 27.2 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -75.9 | 117.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q542 S546 | Q542-G544 PolarHBondContact O-N 3.39Å; G544-S546 PolarHBondContact O-N 2.87Å; G544-S546 VanDerWaalsContact O-N 3.15Å | ||
| 545 | N | 30.8 | Very low | 27.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -58.3 | 113.4 | 173.1 | -71.8 | -28.3 | 0 | 0 | 0 | 110.5 | I543 L547 | I543-N545 PolarHBondContact O-N 3.04Å; N545-L547 PolarHBondContact O-N 2.98Å | ||
| 546 | S | 24.7 | Very low | 27.4 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -63.4 | 95.7 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | G544 E548 | G544-S546 PolarHBondContact O-N 2.87Å; G544-S546 VanDerWaalsContact O-N 3.15Å; S546-E548 PolarHBondContact O-N 3.41Å | ||
| 547 | L | 27.8 | Very low | 27.4 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -77.2 | 102.7 | 172.4 | -152.6 | 83 | 0 | 0 | 0 | 108.2 | N545 V549 | N545-L547 PolarHBondContact O-N 2.98Å; L547-V549 PolarHBondContact O-N 2.91Å; L547-V549 VanDerWaalsContact O-N 3.08Å | ||
| 548 | E | 26.9 | Very low | 27.2 | Very low | 180 Ų | 180 | 136 Ų | 136 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -57.7 | 108.4 | 173.3 | -67.3 | -176 | 158.6 | 0 | 0 | 110.2 | S546 S550 | S546-E548 PolarHBondContact O-N 3.41Å; E548-S550 PolarHBondContact O-N 3.4Å | ||
| 549 | V | 31.4 | Very low | 27.3 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -77.9 | 94.5 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | L547 G551 | L547-V549 PolarHBondContact O-N 2.91Å; L547-V549 VanDerWaalsContact O-N 3.08Å; V549-G551 PolarHBondContact O-N 3.3Å | ||
| 550 | S | 27 | Very low | 27.3 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -56.3 | 120.2 | 168.1 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | E548 G552 | E548-S550 PolarHBondContact O-N 3.4Å; S550-G552 PolarHBondContact O-N 3.25Å | ||
| 551 | G | 23.3 | Very low | 27.5 | Very low | 80 Ų | 80 | 136.1 Ų | 136.1 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -69.7 | 91.6 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | V549 | V549-G551 PolarHBondContact O-N 3.3Š| ||
| 552 | G | 27 | Very low | 27.7 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | trans | -92.6 | 98.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S550 R554 | S550-G552 PolarHBondContact O-N 3.25Å; G552-R554 PolarHBondContact O-N 3.3Å | ||
| 553 | S | 28.5 | Very low | 27.6 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -63.6 | 96 | 169.9 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 554 | R | 29.4 | Very low | 27.6 | Very low | 243 Ų | 243 | 146.7 Ų | 146.7 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | -99.5 | 87 | 171.5 | -73.4 | -172.4 | 171.7 | -137.4 | -0.5 | 110.1 | G552 G556 | G552-R554 PolarHBondContact O-N 3.3Å; R554-G556 VanDerWaalsContact C-N 3.26Å; R554-G556 PolarHBondContact O-N 3.24Å | ||
| 555 | Q | 26 | Very low | 27.5 | Very low | 193 Ų | 193 | 154.8 Ų | 154.8 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -69.6 | 87 | 157.7 | -74.3 | -168.3 | -4.3 | 0 | 0 | 108.7 | ||||
| 556 | G | 27.5 | Very low | 27.3 | Very low | 46 Ų | 46 | 151 Ų | 151 | 47% | 0.474 | 81% | 0.806 | S | S | . | * | trans | -130.1 | 102.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | R554 F558 | R554-G556 VanDerWaalsContact C-N 3.26Å; R554-G556 PolarHBondContact O-N 3.24Å; G556-F558 VanDerWaalsContact O-CD2 3.29Å; G556-F558 WeakPolarHBondContact O-CD2 3.3Å; G556-F558 PolarHBondContact O-N 2.94Å | ||
| 557 | S | 27.3 | Very low | 27.6 | Very low | 119 Ų | 119 | 153.4 Ų | 153.4 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -63.2 | 103.8 | 171 | -177.8 | 0 | 0 | 0 | 0 | 109 | R559 | S557-R559 PolarHBondContact O-N 2.95Š| ||
| 558 | F | 28.1 | Very low | 27.7 | Very low | 205 Ų | 205 | 150.4 Ų | 150.4 | 90% | 0.899 | 81% | 0.808 | S | S | * | * | trans | -70 | 93.6 | 176.2 | -73.7 | -86.5 | 0 | 0 | 0 | 110.1 | G556 S560 | G556-F558 VanDerWaalsContact O-CD2 3.29Å; G556-F558 WeakPolarHBondContact O-CD2 3.3Å; G556-F558 PolarHBondContact O-N 2.94Å; F558-S560 PolarHBondContact O-N 3.19Å | ||
| 559 | R | 26.7 | Very low | 27.6 | Very low | 230 Ų | 230 | 146.5 Ų | 146.5 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | trans | -79.3 | 103.2 | 155.6 | -82.3 | -175.5 | 151.6 | -165.6 | -5.4 | 107.8 | S557 S561 | S557-R559 PolarHBondContact O-N 2.95Å; R559-S561 PolarHBondContact O-N 3.41Å | ||
| 560 | S | 28.4 | Very low | 27.7 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -68.5 | 93.7 | 172.7 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | F558 F562 | F558-S560 PolarHBondContact O-N 3.19Å; S560-F562 VanDerWaalsContact C-N 3.33Å; S560-F562 PolarHBondContact O-N 3.32Å | ||
| 561 | S | 29.2 | Very low | 27.7 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -75.4 | 83.9 | 169.3 | 53.5 | 0 | 0 | 0 | 0 | 110 | R559 R563 | R559-S561 PolarHBondContact O-N 3.41Å; S561-R563 PolarHBondContact O-N 3.31Å; S561-R563 VanDerWaalsContact O-N 3.08Å | ||
| 562 | F | 28.7 | Very low | 27.7 | Very low | 188 Ų | 188 | 148.3 Ų | 148.3 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -72.5 | 91.6 | 161.9 | -83.8 | -85.7 | 0 | 0 | 0 | 108.9 | S560 R564 | S560-F562 VanDerWaalsContact C-N 3.33Å; S560-F562 PolarHBondContact O-N 3.32Å; F562-R564 PolarHBondContact O-N 2.98Å | ||
| 563 | R | 26.2 | Very low | 27.7 | Very low | 243 Ų | 243 | 154.5 Ų | 154.5 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | trans | -74.9 | 102.3 | 162.4 | -76.9 | -174.5 | 179.9 | 173.9 | 0.5 | 108.1 | S561 | S561-R563 PolarHBondContact O-N 3.31Å; S561-R563 VanDerWaalsContact O-N 3.08Å | ||
| 564 | R | 26.4 | Very low | 27.4 | Very low | 229 Ų | 229 | 157.5 Ų | 157.5 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -78.5 | 122.4 | 161.2 | -78.7 | -171.4 | -155.4 | -143.8 | 4.2 | 108.5 | F562 G566 | F562-R564 PolarHBondContact O-N 2.98Å; R564-G566 PolarHBondContact O-N 3Å | ||
| 565 | R | 26.2 | Very low | 27.1 | Very low | 245 Ų | 245 | 152.9 Ų | 152.9 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -60.6 | 115.6 | 159.5 | -82.5 | -176.8 | -173 | 179 | 2.3 | 107.6 | ||||
| 566 | G | 27.6 | Very low | 27.1 | Very low | 72 Ų | 72 | 152.5 Ų | 152.5 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -77.6 | 116.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | R564 A568 | R564-G566 PolarHBondContact O-N 3Å; G566-A568 PolarHBondContact O-N 3.33Å | ||
| 567 | N | 30.4 | Very low | 26.9 | Very low | 162 Ų | 162 | 158.5 Ų | 158.5 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | -74.6 | 103 | 161.6 | -91.2 | 6.7 | 0 | 0 | 0 | 107.1 | ||||
| 568 | A | 28.7 | Very low | 26.8 | Very low | 91 Ų | 91 | 163.5 Ų | 163.5 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 125.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108 | G566 P570 | G566-A568 PolarHBondContact O-N 3.33Å; A568-P570 WeakPolarHBondContact O-CD 3.5Å |
| 569 | A | 25.9 | Very low | 26.9 | Very low | 98 Ų | 98 | 158.5 Ų | 158.5 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 121.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 570 | P | 32.6 | Very low | 26.8 | Very low | 129 Ų | 129 | 153.9 Ų | 153.9 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 126.9 | 171.7 | 0.6 | 17.7 | 0 | 0 | 0 | 108.9 | A568 | A568-P570 WeakPolarHBondContact O-CD 3.5Š|
| 571 | G | 28 | Very low | 26.6 | Very low | 69 Ų | 69 | 154.7 Ų | 154.7 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 139.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 572 | L | 23.5 | Very low | 26.4 | Very low | 173 Ų | 173 | 157 Ų | 157 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | 15.6 | 106.2 | 136.7 | -68.8 | 158.4 | 0 | 0 | 0 | 116.6 | ||||
| 573 | Q | 26.4 | Very low | 26.4 | Very low | 195 Ų | 195 | 159.3 Ų | 159.3 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | -159.5 | 146.9 | 127.6 | -118.4 | 153 | 8.7 | 0 | 0 | 112.9 | |||||
| 574 | Q | 23 | Very low | 26.3 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | -69.6 | 158.2 | -165.3 | -71.2 | 162.7 | -26.5 | 0 | 0 | 114.3 | ||||
| 575 | N | 23.3 | Very low | 26.1 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | 41.8 | 119.4 | 147.1 | -73.2 | -5.5 | 0 | 0 | 0 | 118.1 | ||||
| 576 | E | 24.7 | Very low | 26.1 | Very low | 184 Ų | 184 | 153.3 Ų | 153.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | -164.1 | 141.7 | 111.2 | -83.2 | -116.2 | 141.3 | 0 | 0 | 109.4 | |||||
| 577 | H | 23.2 | Very low | 26 | Very low | 172 Ų | 172 | 156.9 Ų | 156.9 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -64.4 | 137.5 | 176.8 | -80.8 | 44.3 | 0 | 0 | 0 | 111.2 | ||||
| 578 | Y | 26.2 | Very low | 26 | Very low | 224 Ų | 224 | 158.1 Ų | 158.1 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | -150.2 | 131.5 | 139.7 | -95.5 | -76.2 | 0 | 0 | 0 | 110.5 | ||||
| 579 | P | 29.7 | Very low | 25.8 | Very low | 100 Ų | 100 | 162.2 Ų | 162.2 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | trans | -96.3 | 165.2 | -178.8 | 37.9 | -32.8 | 0 | 0 | 0 | 113 | ||||
| 580 | N | 23.9 | Very low | 25.7 | Very low | 134 Ų | 134 | 166 Ų | 166 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | 87.6 | 118.6 | 146.6 | -78.1 | 11.4 | 0 | 0 | 0 | 121.7 | ||||
| 581 | D | 25.5 | Very low | 25.6 | Very low | 113 Ų | 113 | 167 Ų | 167 | 60% | 0.604 | 81% | 0.814 | S | S | * | * | 99.5 | 108.3 | 126.5 | -64.7 | -22.1 | 0 | 0 | 0 | 121 | |||||
| 582 | H | 23.9 | Very low | 25.6 | Very low | 154 Ų | 154 | 169.4 Ų | 169.4 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | 52.7 | 101.9 | 128.4 | -83.6 | -74.4 | 0 | 0 | 0 | 119.3 | |||||
| 583 | Y | 28.9 | Very low | 25.6 | Very low | 237 Ų | 237 | 168.6 Ų | 168.6 | 93% | 0.929 | 82% | 0.817 | S | S | * | * | trans | -126.7 | 106 | 143.6 | -74.5 | -79 | 0 | 0 | 0 | 110 | ||||
| 584 | K | 24.2 | Very low | 25.9 | Very low | 185 Ų | 185 | 164.7 Ų | 164.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -74.8 | 141.6 | 168.6 | -102.7 | -179.3 | 171.2 | -176.1 | 0 | 109.5 | ||||
| 585 | Y | 22.8 | Very low | 26 | Very low | 222 Ų | 222 | 164.1 Ų | 164.1 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | trans | -52.2 | 145.2 | 157.1 | -90.2 | -104.5 | 0 | 0 | 0 | 111.5 | ||||
| 586 | E | 25.7 | Very low | 26.5 | Very low | 185 Ų | 185 | 165.4 Ų | 165.4 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -152.3 | 153.9 | 141 | -79.5 | -129.9 | 177.2 | 0 | 0 | 111.4 | ||||
| 587 | D | 26.1 | Very low | 26.6 | Very low | 146 Ų | 146 | 163.1 Ų | 163.1 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | -70.1 | 159.9 | -166.5 | -69 | -54.9 | 0 | 0 | 0 | 115.4 | ||||
| 588 | E | 29 | Very low | 26.7 | Very low | 188 Ų | 188 | 159.7 Ų | 159.7 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -159 | 104.5 | 146.9 | -112.2 | 171.6 | -153 | 0 | 0 | 113.7 | ||||
| 589 | M | 26.3 | Very low | 26.8 | Very low | 177 Ų | 177 | 155.8 Ų | 155.8 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | 60.9 | 133.5 | 127.4 | -64 | -77.9 | 175.3 | 0 | 0 | 123.6 | |||||
| 590 | Q | 23.3 | Very low | 26.4 | Very low | 177 Ų | 177 | 161 Ų | 161 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | trans | -66.4 | 151.7 | 173.3 | -67.2 | 153.3 | -24 | 0 | 0 | 114.4 | ||||
| 591 | T | 30.9 | Very low | 26.6 | Very low | 150 Ų | 150 | 165.8 Ų | 165.8 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | -146.4 | 148.2 | 144.5 | 58.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 592 | S | 26.3 | Very low | 26.6 | Very low | 120 Ų | 120 | 168.5 Ų | 168.5 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -93.8 | 162.8 | -154 | 46.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 593 | N | 23.8 | Very low | 26.6 | Very low | 157 Ų | 157 | 166.6 Ų | 166.6 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | -63.5 | 142.4 | 173.9 | -153.2 | 9.9 | 0 | 0 | 0 | 114.5 | ||||
| 594 | P | 33.4 | Very low | 26.5 | Very low | 112 Ų | 112 | 164.5 Ų | 164.5 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -107.2 | 130.3 | 164.6 | 33.6 | -22.3 | 0 | 0 | 0 | 113 | ||||
| 595 | N | 24.8 | Very low | 26.4 | Very low | 163 Ų | 163 | 164.7 Ų | 164.7 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -45.7 | 136.1 | 168.1 | -88.8 | -29.4 | 0 | 0 | 0 | 114.3 | ||||
| 596 | I | 33.6 | Very low | 26.4 | Very low | 174 Ų | 174 | 163.6 Ų | 163.6 | 89% | 0.892 | 82% | 0.823 | S | S | * | * | trans | -132.7 | 124.1 | 150.6 | -61.9 | -177.9 | 0 | 0 | 0 | 109 | ||||
| 597 | D | 27.2 | Very low | 26.2 | Very low | 136 Ų | 136 | 164 Ų | 164 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | -78.4 | 151.4 | -162.2 | -164.9 | 6.2 | 0 | 0 | 0 | 113.8 | ||||
| 598 | S | 25.2 | Very low | 26.1 | Very low | 99 Ų | 99 | 160.5 Ų | 160.5 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | trans | -98.9 | 113.8 | -178.8 | 51.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 599 | Q | 28.2 | Very low | 25.8 | Very low | 143 Ų | 143 | 158.8 Ų | 158.8 | 67% | 0.668 | 83% | 0.825 | S | S | * | * | trans | -139.3 | 110.1 | 166.9 | -77.6 | -76.1 | -27.4 | 0 | 0 | 111.7 | ||||
| 600 | R | 22.4 | Very low | 25.7 | Very low | 210 Ų | 210 | 153.4 Ų | 153.4 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | 32 | 117.2 | 140.2 | -81.2 | 175.9 | 173.2 | 177.5 | -0.9 | 119.2 | ||||
| 601 | Y | 27.2 | Very low | 25.9 | Very low | 234 Ų | 234 | 154.6 Ų | 154.6 | 92% | 0.918 | 82% | 0.817 | S | S | * | * | trans | -129 | 126.6 | 145.7 | -82.8 | -85.4 | 0 | 0 | 0 | 110.7 | ||||
| 602 | H | 24.9 | Very low | 25.7 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 78% | 0.782 | 82% | 0.815 | S | S | * | * | trans | -72.8 | 137.7 | -174.7 | -95 | 15.5 | 0 | 0 | 0 | 113.3 | ||||
| 603 | S | 23.4 | Very low | 26 | Very low | 115 Ų | 115 | 157.6 Ų | 157.6 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -60.3 | 130.2 | 163.4 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 604 | K | 27.5 | Very low | 26.4 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -122.8 | 120.2 | 156.4 | -86.5 | -173.2 | 175.8 | -179.9 | 0 | 109.2 | ||||
| 605 | E | 21.3 | Very low | 26.4 | Very low | 190 Ų | 190 | 158.1 Ų | 158.1 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -55.1 | 137.4 | 170.8 | -62.9 | 165.7 | 152.3 | 0 | 0 | 110.9 | ||||
| 606 | F | 23.6 | Very low | 27 | Very low | 198 Ų | 198 | 156.5 Ų | 156.5 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | trans | -139.9 | 110.9 | 162.5 | -100.7 | -83.6 | 0 | 0 | 0 | 110.4 | ||||
| 607 | H | 21.1 | Very low | 27.5 | Very low | 195 Ų | 195 | 152.6 Ų | 152.6 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | trans | -72 | 154.8 | 162.3 | -85.6 | -45.7 | 0 | 0 | 0 | 111.4 | ||||
| 608 | G | 24.7 | Very low | 27.9 | Very low | 71 Ų | 71 | 153.3 Ų | 153.3 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 113.7 | 92.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 609 | V | 23.4 | Very low | 28.3 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | 15.1 | 119.5 | 136.9 | -170 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 610 | G | 23.6 | Very low | 28.8 | Very low | 64 Ų | 64 | 158.7 Ų | 158.7 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | 93.7 | 107.5 | 137.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 611 | K | 27.4 | Very low | 29.6 | Very low | 203 Ų | 203 | 156.6 Ų | 156.6 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | 177.1 | 131.7 | 118.2 | -94.9 | 167.5 | -175 | -179.4 | 0 | 111.3 | |||||
| 612 | E | 27.1 | Very low | 30 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -50.9 | 129 | 171.6 | -59.9 | 170.6 | 149.4 | 0 | 0 | 111.1 | ||||
| 613 | N | 31.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 148.5 Ų | 148.5 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | trans | -132.6 | 115.4 | 166.8 | -87.8 | -30.2 | 0 | 0 | 0 | 110.8 | L615 | N613-L615 PolarHBondContact O-N 2.96Š| ||
| 614 | N | 32.2 | Very low | 31.8 | Very low | 147 Ų | 147 | 149 Ų | 149 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | trans | -63.6 | 75.3 | -176.8 | -80.7 | -58.9 | 0 | 0 | 0 | 114.1 | ||||
| 615 | L | 33.8 | Very low | 32.5 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | trans | -96.5 | 6.3 | 173.2 | -84.4 | 164.7 | 0 | 0 | 0 | 114.9 | N613 | N613-L615 PolarHBondContact O-N 2.96Š| ||
| 616 | N | 37.7 | Very low | 33.3 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -100.8 | 0.4 | -175.3 | -140.3 | -4.4 | 0 | 0 | 0 | 115.3 | ||
| 617 | T | 43.5 | Very low | 33.8 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 56% | 0.558 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -88.8 | -26.9 | 177.9 | -16.8 | 0 | 0 | 0 | 0 | 112.5 | ||
| 618 | Q | 36.1 | Very low | 34.5 | Very low | 152 Ų | 152 | 134.1 Ų | 134.1 | 71% | 0.71 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -79.2 | -32.9 | -177 | -153.2 | 170.3 | -4.5 | 0 | 0 | 112.2 | R620 | Q618-R620 VanDerWaalsContact C-N 3.34Å; Q618-R620 PolarHBondContact O-N 3.45Å |
| 619 | Y | 34.5 | Very low | 34.9 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 65% | 0.647 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -68.2 | -29.5 | 173.8 | -93.9 | -81.3 | 0 | 0 | 0 | 113.5 | ||
| 620 | R | 37.1 | Very low | 35.2 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71.1 | -36.1 | 177.5 | -98.3 | 178.1 | 170.9 | 161.9 | -1.7 | 113.4 | Q618 Q622 I623 | Q618-R620 VanDerWaalsContact C-N 3.34Å; Q618-R620 PolarHBondContact O-N 3.45Å; R620-Q622 VanDerWaalsContact C-N 3.26Å; R620-Q622 PolarHBondContact O-N 3.29Å; R620-I623 PolarHBondContact O-N 3.11Å |
| 621 | K | 41.1 | Very low | 35.4 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -70.1 | -22.8 | 178.4 | -70.5 | -171.7 | 177.9 | -177.5 | 0 | 113.5 | ||
| 622 | Q | 35.8 | Very low | 35.4 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 59% | 0.589 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -78.3 | -25.2 | 177.8 | -119 | 175 | -9.2 | 0 | 0 | 113.1 | R620 S625 | R620-Q622 VanDerWaalsContact C-N 3.26Å; R620-Q622 PolarHBondContact O-N 3.29Å; Q622-S625 PolarHBondContact O-OG 3.38Å |
| 623 | I | 43.6 | Very low | 35.4 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 55% | 0.549 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -79.3 | -32.3 | 177 | -63.1 | 176.5 | 0 | 0 | 0 | 110.9 | R620 | R620-I623 PolarHBondContact O-N 3.11Å |
| 624 | D | 42 | Very low | 35.2 | Very low | 126 Ų | 126 | 143 Ų | 143 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -76.7 | -23.2 | -178.6 | -71.6 | -21.9 | 0 | 0 | 0 | 113.6 | ||
| 625 | S | 42.8 | Very low | 35 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 55% | 0.545 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -82.6 | -19.8 | 177.2 | 64 | 0 | 0 | 0 | 0 | 114.3 | Q622 | Q622-S625 PolarHBondContact O-OG 3.38Å |
| 626 | Q | 36.2 | Very low | 34.7 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -86.8 | -11.5 | 179.4 | -68.4 | -153.5 | -8.7 | 0 | 0 | 114.5 | ||
| 627 | N | 35.8 | Very low | 34.3 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 10 | 179 | -77.3 | -29 | 0 | 0 | 0 | 114.3 | ||
| 628 | A | 34.5 | Very low | 33.5 | Very low | 82 Ų | 82 | 138.5 Ų | 138.5 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -93.3 | 0.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 629 | T | 33.6 | Very low | 33.1 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -122.9 | 16.3 | -168.4 | -25.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 630 | L | 30.6 | Very low | 32.7 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | -128.9 | 85.7 | 170.8 | -76.2 | 164.8 | 0 | 0 | 0 | 110.3 | Y632 | L630-Y632 PolarHBondContact O-N 3.07Š| ||
| 631 | G | 26 | Very low | 32.1 | Very low | 84 Ų | 84 | 139 Ų | 139 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -64.2 | 94.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 632 | Y | 28.8 | Very low | 31.3 | Very low | 208 Ų | 208 | 135.3 Ų | 135.3 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | trans | -91.3 | 105.6 | 154.9 | -80.3 | -84.4 | 0 | 0 | 0 | 107.9 | L630 R634 | L630-Y632 PolarHBondContact O-N 3.07Å; Y632-R634 PolarHBondContact O-N 3.26Å | ||
| 633 | Q | 27 | Very low | 30.8 | Very low | 199 Ų | 199 | 141 Ų | 141 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | trans | -53.3 | 100.1 | 170.2 | -75.6 | 177.5 | -35.4 | 0 | 0 | 109.3 | S635 | Q633-S635 PolarHBondContact O-N 2.85Š| ||
| 634 | R | 26.3 | Very low | 29.8 | Very low | 240 Ų | 240 | 140 Ų | 140 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -74 | 103.9 | 169 | -78 | -176.2 | 176.2 | -129.6 | 1.5 | 108 | Y632 | Y632-R634 PolarHBondContact O-N 3.26Š| ||
| 635 | S | 27.7 | Very low | 28.9 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -57.6 | 142.3 | 166.8 | 45.3 | 0 | 0 | 0 | 0 | 110.6 | Q633 | Q633-S635 PolarHBondContact O-N 2.85Š| ||
| 636 | P | 29.1 | Very low | 28.2 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -76.3 | 147.5 | -154.8 | -12.1 | 28.9 | 0 | 0 | 0 | 113.3 | G638 | P636-G638 PolarHBondContact O-N 2.97Å; P636-G638 VanDerWaalsContact O-N 3.14Å | ||
| 637 | A | 28.3 | Very low | 27.6 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -28.4 | 108.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R639 | A637-R639 PolarHBondContact O-N 3.41Š| ||
| 638 | G | 25.7 | Very low | 27.1 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 121 | 167 | 0 | 0 | 0 | 0 | 0 | 109.8 | P636 | P636-G638 PolarHBondContact O-N 2.97Å; P636-G638 VanDerWaalsContact O-N 3.14Å |
| 639 | R | 27.6 | Very low | 26.6 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133.6 | 175.7 | -72.8 | 179.2 | 172.2 | -168.3 | -2.4 | 109.5 | A637 I641 | A637-R639 PolarHBondContact O-N 3.41Å; R639-I641 PolarHBondContact O-N 2.87Å |
| 640 | P | 26.5 | Very low | 26.4 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 121.5 | -178.6 | 26.3 | -32 | 0 | 0 | 0 | 109.1 | A642 | P640-A642 PolarHBondContact O-N 3.14Š|
| 641 | I | 25 | Very low | 26.4 | Very low | 162 Ų | 162 | 138 Ų | 138 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -59.5 | 104.6 | 175.8 | -61.8 | 169.1 | 0 | 0 | 0 | 107.5 | R639 R643 | R639-I641 PolarHBondContact O-N 2.87Å; I641-R643 PolarHBondContact O-N 2.9Å; I641-R643 VanDerWaalsContact O-N 3.13Å | ||
| 642 | A | 25 | Very low | 26.6 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -56.5 | 115.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | P640 A644 | P640-A642 PolarHBondContact O-N 3.14Å; A642-A644 PolarHBondContact O-N 3.05Å | ||
| 643 | R | 24.1 | Very low | 26.8 | Very low | 246 Ų | 246 | 135.2 Ų | 135.2 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | trans | -65.1 | 89.2 | 169.2 | -77.9 | -177.4 | 176.9 | 162.9 | -0.6 | 107.6 | I641 A645 | I641-R643 PolarHBondContact O-N 2.9Å; I641-R643 VanDerWaalsContact O-N 3.13Å; R643-A645 PolarHBondContact O-N 3.06Å | ||
| 644 | A | 23 | Very low | 27.2 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -59.4 | 126.7 | 163 | 0 | 0 | 0 | 0 | 0 | 107.6 | A642 T646 | A642-A644 PolarHBondContact O-N 3.05Å; A644-T646 PolarHBondContact O-N 2.81Å; A644-T646 VanDerWaalsContact O-N 3.15Å | ||
| 645 | A | 24.4 | Very low | 28.3 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | -49.6 | 118.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | R643 T647 | R643-A645 PolarHBondContact O-N 3.06Å; A645-T647 VanDerWaalsContact C-N 3.32Å; A645-T647 PolarHBondContact O-N 3.44Å | ||
| 646 | T | 26.5 | Very low | 29.5 | Very low | 140 Ų | 140 | 125 Ų | 125 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -69.4 | 94.3 | 174.7 | 52 | 0 | 0 | 0 | 0 | 108.1 | A644 | A644-T646 PolarHBondContact O-N 2.81Å; A644-T646 VanDerWaalsContact O-N 3.15Å | ||
| 647 | T | 25.4 | Very low | 31.1 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | trans | -56.9 | 143.4 | 157.2 | 43 | 0 | 0 | 0 | 0 | 109 | A645 F649 | A645-T647 VanDerWaalsContact C-N 3.32Å; A645-T647 PolarHBondContact O-N 3.44Å; T647-F649 PolarHBondContact O-N 2.92Å | ||
| 648 | G | 25.1 | Very low | 32.8 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | trans | -54.8 | 124.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T650 | G648-T650 PolarHBondContact O-N 2.95Š| ||
| 649 | F | 23.9 | Very low | 34.1 | Very low | 195 Ų | 195 | 123.1 Ų | 123.1 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | trans | -81.3 | 108.3 | 170.3 | -162 | -100.3 | 0 | 0 | 0 | 108.4 | T647 | T647-F649 PolarHBondContact O-N 2.92Š| ||
| 650 | T | 29.5 | Very low | 35.7 | Very low | 121 Ų | 121 | 118.4 Ų | 118.4 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 135.1 | 175.1 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | G648 | G648-T650 PolarHBondContact O-N 2.95Š|
| 651 | G | 30.3 | Very low | 37.3 | Very low | 72 Ų | 72 | 118.8 Ų | 118.8 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 652 | L | 30.6 | Very low | 38.4 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134 | 174 | -70.2 | 162.4 | 0 | 0 | 0 | 110.7 | ||
| 653 | G | 31.1 | Very low | 39.6 | Very low | 78 Ų | 78 | 115.9 Ų | 115.9 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 126.7 | -163 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 654 | Y | 37.4 | Very low | 41.2 | Very low | 176 Ų | 176 | 109.7 Ų | 109.7 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 146 | 150.7 | -70.5 | -83.7 | 0 | 0 | 0 | 108.2 | ||
| 655 | S | 49.3 | Very low | 42.2 | Very low | 58 Ų | 58 | 110.7 Ų | 110.7 | 41% | 0.406 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 140.6 | 174.4 | 173 | 0 | 0 | 0 | 0 | 110.2 | S657 D658 Q659 | S655-S657 PolarHBondContact O-N 2.81Å; S655-S657 VanDerWaalsContact O-N 3.09Å; S655-S657 PolarHBondContact OG-N 3.17Å; S655-S657 PolarHBondContact OG-OG 3.27Å; S655-D658 PolarHBondContact O-N 2.64Å; S655-Q659 PolarHBondContact O-N 2.65Å |
| 656 | P | 52.6 | Low | 42.9 | Very low | 99 Ų | 99 | 111.5 Ų | 111.5 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -53.5 | -29.2 | 175.6 | -26.1 | 34 | 0 | 0 | 0 | 113.7 | D658 Q660 | P656-D658 VanDerWaalsContact C-N 3.33Å; P656-Q660 PolarHBondContact O-N 3.22Å |
| 657 | S | 62.5 | Low | 43.9 | Very low | 55 Ų | 55 | 108.5 Ų | 108.5 | 39% | 0.385 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61.2 | -41.4 | 173.5 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | S655 Q660 Q661 | S655-S657 PolarHBondContact O-N 2.81Å; S655-S657 VanDerWaalsContact O-N 3.09Å; S655-S657 PolarHBondContact OG-N 3.17Å; S655-S657 PolarHBondContact OG-OG 3.27Å; S657-Q660 PolarHBondContact O-N 2.87Å; S657-Q661 WeakPolarHBondContact O-CB 3.4Å; S657-Q661 WeakPolarHBondContact O-CG 3.45Å; S657-Q661 PolarHBondContact O-N 2.77Å |
| 658 | D | 63.2 | Low | 44.8 | Very low | 77 Ų | 77 | 109.3 Ų | 109.3 | 41% | 0.412 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -77.7 | -35.3 | -174 | -58.9 | -7.3 | 0 | 0 | 0 | 110.1 | S655 P656 F662 | S655-D658 PolarHBondContact O-N 2.64Å; P656-D658 VanDerWaalsContact C-N 3.33Å; D658-F662 WeakPolarHBondContact O-CB 3.2Å; D658-F662 PolarHBondContact O-N 2.8Å |
| 659 | Q | 52.6 | Low | 45.4 | Very low | 127 Ų | 127 | 111.2 Ų | 111.2 | 59% | 0.593 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.2 | -40.7 | 169.8 | -82.4 | -174.8 | -13.7 | 0 | 0 | 111.9 | S655 A663 | S655-Q659 PolarHBondContact O-N 2.65Å; Q659-A663 WeakPolarHBondContact O-CB 3.42Å; Q659-A663 PolarHBondContact O-N 2.83Å |
| 660 | Q | 61.1 | Low | 46 | Very low | 133 Ų | 133 | 106.4 Ų | 106.4 | 62% | 0.621 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.6 | -44.1 | 175.8 | -96.3 | -175.8 | -14.9 | 0 | 0 | 112.4 | P656 S657 F662 A663 Q664 | P656-Q660 PolarHBondContact O-N 3.22Å; S657-Q660 PolarHBondContact O-N 2.87Å; Q660-F662 VanDerWaalsContact C-N 3.35Å; Q660-A663 PolarHBondContact O-N 3.27Å; Q660-Q664 WeakPolarHBondContact O-CB 3.34Å; Q660-Q664 VanDerWaalsContact O-CG 3.3Å; Q660-Q664 WeakPolarHBondContact O-CG 3.46Å; Q660-Q664 PolarHBondContact O-N 3.5Å |
| 661 | Q | 60.1 | Low | 46.2 | Very low | 131 Ų | 131 | 108.3 Ų | 108.3 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.5 | -40.5 | 176.5 | -75.4 | -176.7 | -3.1 | 0 | 0 | 111.5 | S657 Q664 H665 | S657-Q661 WeakPolarHBondContact O-CB 3.4Å; S657-Q661 WeakPolarHBondContact O-CG 3.45Å; S657-Q661 PolarHBondContact O-N 2.77Å; Q661-Q664 PolarHBondContact O-N 2.83Å; Q661-H665 VanDerWaalsContact O-CB 3.23Å; Q661-H665 WeakPolarHBondContact O-CB 3.3Å; Q661-H665 PolarHBondContact O-N 2.78Å |
| 662 | F | 49.9 | Very low | 46.1 | Very low | 130 Ų | 130 | 109.8 Ų | 109.8 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.9 | -40.7 | 175.9 | -173.7 | -101.1 | 0 | 0 | 0 | 112.1 | D658 Q660 H665 M666 | D658-F662 WeakPolarHBondContact O-CB 3.2Å; D658-F662 PolarHBondContact O-N 2.8Å; Q660-F662 VanDerWaalsContact C-N 3.35Å; F662-H665 PolarHBondContact O-N 2.97Å; F662-M666 HydrophobicContact CD1-CG 4.4Å; F662-M666 HydrophobicContact CE1-CE 4.15Å; F662-M666 HydrophobicContact CE1-CG 4.07Å; F662-M666 HydrophobicContact CE2-CE 3.81Å; F662-M666 HydrophobicContact CZ-CE 3.41Å; F662-M666 VanDerWaalsContact CZ-CE 3.41Å; F662-M666 HydrophobicContact CZ-CG 4.18Å; F662-M666 WeakPolarHBondContact O-CB 2.9Å; F662-M666 WeakPolarHBondContact O-CG 3.5Å; F662-M666 PolarHBondContact O-N 2.94Å |
| 663 | A | 50.4 | Low | 46.3 | Very low | 58 Ų | 58 | 108.1 Ų | 108.1 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.9 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q659 Q660 M666 A667 | Q659-A663 WeakPolarHBondContact O-CB 3.42Å; Q659-A663 PolarHBondContact O-N 2.83Å; Q660-A663 PolarHBondContact O-N 3.27Å; A663-M666 PolarHBondContact O-N 3.34Å; A663-A667 WeakPolarHBondContact O-CB 3.35Å; A663-A667 PolarHBondContact O-N 2.98Å |
| 664 | Q | 57.1 | Low | 46.1 | Very low | 116 Ų | 116 | 114.4 Ų | 114.4 | 54% | 0.542 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.7 | -41 | 174.7 | -74.5 | 177.1 | -0.7 | 0 | 0 | 111.7 | Q660 Q661 M666 A667 Q668 | Q660-Q664 WeakPolarHBondContact O-CB 3.34Å; Q660-Q664 VanDerWaalsContact O-CG 3.3Å; Q660-Q664 WeakPolarHBondContact O-CG 3.46Å; Q660-Q664 PolarHBondContact O-N 3.5Å; Q661-Q664 PolarHBondContact O-N 2.83Å; Q664-M666 VanDerWaalsContact C-N 3.35Å; Q664-M666 PolarHBondContact O-N 2.81Å; Q664-A667 PolarHBondContact O-N 2.81Å; Q664-Q668 WeakPolarHBondContact O-CG 3.23Å; Q664-Q668 PolarHBondContact O-N 3.28Å |
| 665 | H | 44 | Very low | 45.6 | Very low | 108 Ų | 108 | 114.2 Ų | 114.2 | 50% | 0.5 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.1 | -39.6 | 176.5 | -174.2 | -89.3 | 0 | 0 | 0 | 111.8 | Q661 F662 H669 | Q661-H665 VanDerWaalsContact O-CB 3.23Å; Q661-H665 WeakPolarHBondContact O-CB 3.3Å; Q661-H665 PolarHBondContact O-N 2.78Å; F662-H665 PolarHBondContact O-N 2.97Å; H665-H669 AromaticContact NE2-CD2 4Å; H665-H669 PolarHBondContact O-N 3.17Å |
| 666 | M | 38.3 | Very low | 44.6 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 52% | 0.517 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.9 | -32.3 | 174.7 | -74.3 | -66.9 | -178 | 0 | 0 | 113 | F662 A663 Q664 | F662-M666 HydrophobicContact CD1-CG 4.4Å; F662-M666 HydrophobicContact CE1-CE 4.15Å; F662-M666 HydrophobicContact CE1-CG 4.07Å; F662-M666 HydrophobicContact CE2-CE 3.81Å; F662-M666 HydrophobicContact CZ-CE 3.41Å; F662-M666 VanDerWaalsContact CZ-CE 3.41Å; F662-M666 HydrophobicContact CZ-CG 4.18Å; F662-M666 WeakPolarHBondContact O-CB 2.9Å; F662-M666 WeakPolarHBondContact O-CG 3.5Å; F662-M666 PolarHBondContact O-N 2.94Å; A663-M666 PolarHBondContact O-N 3.34Å; Q664-M666 VanDerWaalsContact C-N 3.35Å; Q664-M666 PolarHBondContact O-N 2.81Å |
| 667 | A | 47.5 | Very low | 43.4 | Very low | 78 Ų | 78 | 118.5 Ų | 118.5 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.3 | -30.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A663 Q664 | A663-A667 WeakPolarHBondContact O-CB 3.35Å; A663-A667 PolarHBondContact O-N 2.98Å; Q664-A667 PolarHBondContact O-N 2.81Å |
| 668 | Q | 44.7 | Very low | 41.6 | Very low | 147 Ų | 147 | 121 Ų | 121 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -83.8 | -19.3 | 178.1 | -69.7 | -178 | 1 | 0 | 0 | 113.7 | Q664 | Q664-Q668 WeakPolarHBondContact O-CG 3.23Å; Q664-Q668 PolarHBondContact O-N 3.28Å |
| 669 | H | 37.5 | Very low | 39.9 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 53% | 0.528 | 66% | 0.663 | S | S | . | * | trans | -130.3 | 64.5 | -178 | -59.7 | -59.9 | 0 | 0 | 0 | 113.8 | H665 H671 | H665-H669 AromaticContact NE2-CD2 4Å; H665-H669 PolarHBondContact O-N 3.17Å; H669-H671 PolarHBondContact O-N 3.05Å; H669-H671 VanDerWaalsContact O-N 3.09Å | ||
| 670 | P | 36 | Very low | 38.7 | Very low | 95 Ų | 95 | 120.9 Ų | 120.9 | 62% | 0.617 | 67% | 0.672 | S | S | * | * | trans | -75.3 | 10.3 | 176.7 | 31 | -33.2 | 0 | 0 | 0 | 114.3 | ||||
| 671 | H | 33.7 | Very low | 37.1 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 75% | 0.745 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -128.3 | 102.2 | 178.2 | -65.1 | -67.9 | 0 | 0 | 0 | 110.3 | H669 | H669-H671 PolarHBondContact O-N 3.05Å; H669-H671 VanDerWaalsContact O-N 3.09Å |
| 672 | S | 28.2 | Very low | 35.7 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | trans | -54 | 123.9 | 169.4 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | Y674 | S672-Y674 VanDerWaalsContact C-N 3.35Å; S672-Y674 PolarHBondContact O-N 2.68Å | ||
| 673 | P | 35.6 | Very low | 34.5 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | -81.2 | 82.8 | -179 | 33 | -31.9 | 0 | 0 | 0 | 109.4 | ||||
| 674 | Y | 27.4 | Very low | 33.4 | Very low | 210 Ų | 210 | 129.7 Ų | 129.7 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | -133.1 | 57.3 | 167 | -86.5 | -78.5 | 0 | 0 | 0 | 109.7 | S672 | S672-Y674 VanDerWaalsContact C-N 3.35Å; S672-Y674 PolarHBondContact O-N 2.68Å | ||
| 675 | L | 26.9 | Very low | 32 | Very low | 172 Ų | 172 | 130.8 Ų | 130.8 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | trans | -138.8 | 76 | 157.6 | -73.3 | 177.8 | 0 | 0 | 0 | 107 | A677 | L675-A677 PolarHBondContact O-N 2.94Š| ||
| 676 | I | 27 | Very low | 31.2 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | trans | -69.3 | 94.2 | 154 | -64.3 | 175.5 | 0 | 0 | 0 | 104.2 | S678 | I676-S678 PolarHBondContact O-N 2.95Š| ||
| 677 | A | 27 | Very low | 30.7 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | trans | -59.3 | 107.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | L675 A679 | L675-A677 PolarHBondContact O-N 2.94Å; A677-A679 VanDerWaalsContact C-N 3.27Å; A677-A679 PolarHBondContact O-N 3.18Å | ||
| 678 | S | 26.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -60.9 | 92.9 | 170.6 | -52.5 | 0 | 0 | 0 | 0 | 108.1 | I676 S680 | I676-S678 PolarHBondContact O-N 2.95Å; S678-S680 VanDerWaalsContact C-N 3.33Å; S678-S680 PolarHBondContact O-N 2.85Å | ||
| 679 | A | 27.2 | Very low | 28.9 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -65.7 | 99.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | A677 Q681 | A677-A679 VanDerWaalsContact C-N 3.27Å; A677-A679 PolarHBondContact O-N 3.18Å; A679-Q681 PolarHBondContact O-N 2.85Å | ||
| 680 | S | 28.2 | Very low | 28.5 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -57.1 | 98 | 170.4 | -65.6 | 0 | 0 | 0 | 0 | 109 | S678 Q682 | S678-S680 VanDerWaalsContact C-N 3.33Å; S678-S680 PolarHBondContact O-N 2.85Å; S680-Q682 PolarHBondContact O-N 3.15Å | ||
| 681 | Q | 27 | Very low | 28.1 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -69.8 | 107.3 | 161.3 | -72.3 | -178.7 | -5 | 0 | 0 | 106.7 | A679 L683 | A679-Q681 PolarHBondContact O-N 2.85Å; Q681-L683 PolarHBondContact O-N 3.16Å | ||
| 682 | Q | 29.3 | Very low | 27.8 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -59.1 | 102.2 | 167.4 | -84.4 | 167 | -81.9 | 0 | 0 | 108.1 | S680 D684 | S680-Q682 PolarHBondContact O-N 3.15Å; Q682-D684 PolarHBondContact O-N 2.88Å | ||
| 683 | L | 25.9 | Very low | 28 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -82.9 | 94.2 | 163.3 | -74.9 | 167.3 | 0 | 0 | 0 | 106.8 | Q681 I685 | Q681-L683 PolarHBondContact O-N 3.16Å; L683-I685 PolarHBondContact O-N 3.46Å | ||
| 684 | D | 27 | Very low | 27.7 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -68.2 | 96.8 | 166.3 | -71.7 | -30.2 | 0 | 0 | 0 | 107.9 | Q682 | Q682-D684 PolarHBondContact O-N 2.88Š| ||
| 685 | I | 27.1 | Very low | 27.8 | Very low | 139 Ų | 139 | 141.3 Ų | 141.3 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -89 | 115.3 | 168.8 | -59.1 | 173.6 | 0 | 0 | 0 | 106.5 | L683 V687 | L683-I685 PolarHBondContact O-N 3.46Å; I685-V687 PolarHBondContact O-N 3.07Å | ||
| 686 | P | 27.2 | Very low | 27.8 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -72.4 | 122.7 | -177.8 | 14.9 | -8.4 | 0 | 0 | 0 | 110.3 | E688 | P686-E688 PolarHBondContact O-N 2.86Š| ||
| 687 | V | 28.5 | Very low | 27.9 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -80 | 109.3 | 173.1 | 177 | 0 | 0 | 0 | 0 | 107.9 | I685 | I685-V687 PolarHBondContact O-N 3.07Š| ||
| 688 | E | 25.2 | Very low | 27.9 | Very low | 175 Ų | 175 | 143.1 Ų | 143.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -73.9 | 130.1 | 172.3 | -165.6 | 169.8 | -176.7 | 0 | 0 | 109.7 | P686 Q690 | P686-E688 PolarHBondContact O-N 2.86Å; E688-Q690 PolarHBondContact O-N 3.45Å | ||
| 689 | P | 30 | Very low | 27.9 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | trans | -80.1 | 114.4 | -165.9 | 29.4 | -32 | 0 | 0 | 0 | 111.5 | N691 | P689-N691 PolarHBondContact O-N 2.99Š| ||
| 690 | Q | 28.2 | Very low | 28 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -77.4 | 102.8 | 167.4 | -69.2 | -150.6 | -22 | 0 | 0 | 110.3 | E688 N692 | E688-Q690 PolarHBondContact O-N 3.45Å; Q690-N692 PolarHBondContact O-N 3.14Å | ||
| 691 | N | 26.8 | Very low | 28 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -62.3 | 107.5 | 167.3 | -83.9 | -29.9 | 0 | 0 | 0 | 110.2 | P689 | P689-N691 PolarHBondContact O-N 2.99Š| ||
| 692 | N | 28.9 | Very low | 27.8 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | trans | -119.8 | 122.9 | 160.6 | -99.5 | -22.9 | 0 | 0 | 0 | 108.9 | Q690 S694 | Q690-N692 PolarHBondContact O-N 3.14Å; N692-S694 PolarHBondContact O-N 3.36Å | ||
| 693 | P | 32.5 | Very low | 27.9 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -77.4 | 115.5 | -169.9 | 29.9 | -31.9 | 0 | 0 | 0 | 111 | K695 | P693-K695 PolarHBondContact O-N 3.01Š| ||
| 694 | S | 28.3 | Very low | 27.9 | Very low | 118 Ų | 118 | 151.4 Ų | 151.4 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | -68.1 | 104.2 | 171.6 | 50.5 | 0 | 0 | 0 | 0 | 110.9 | N692 G696 | N692-S694 PolarHBondContact O-N 3.36Å; S694-G696 PolarHBondContact O-N 2.8Å | ||
| 695 | K | 30.5 | Very low | 28 | Very low | 194 Ų | 194 | 149 Ų | 149 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -76.5 | 111.1 | 159.1 | -86.3 | -176.4 | 175.2 | 179.5 | 0 | 108.3 | P693 | P693-K695 PolarHBondContact O-N 3.01Š| ||
| 696 | G | 26.1 | Very low | 28.1 | Very low | 75 Ų | 75 | 151 Ų | 151 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -63.5 | 132.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S694 | S694-G696 PolarHBondContact O-N 2.8Š| ||
| 697 | F | 29.2 | Very low | 28.3 | Very low | 188 Ų | 188 | 153 Ų | 153 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -114.8 | 119.4 | 163 | -97.6 | -87.9 | 0 | 0 | 0 | 107.8 | ||||
| 698 | E | 25.9 | Very low | 28.1 | Very low | 195 Ų | 195 | 157.7 Ų | 157.7 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | trans | -80.8 | 125.5 | -175.2 | -161.4 | 172 | -163.9 | 0 | 0 | 109.5 | G700 | E698-G700 PolarHBondContact O-N 2.83Š| ||
| 699 | Y | 26.7 | Very low | 28.3 | Very low | 225 Ų | 225 | 155.2 Ų | 155.2 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | trans | -78.9 | 110.6 | -179.5 | -79.7 | -91.2 | 0 | 0 | 0 | 110.3 | ||||
| 700 | G | 28.7 | Very low | 28.3 | Very low | 75 Ų | 75 | 156.7 Ų | 156.7 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | E698 | E698-G700 PolarHBondContact O-N 2.83Š|
| 701 | T | 28.5 | Very low | 28.3 | Very low | 140 Ų | 140 | 155.5 Ų | 155.5 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 116.8 | 177.4 | -52.6 | 0 | 0 | 0 | 0 | 111 | ||
| 702 | M | 24.1 | Very low | 28.3 | Very low | 172 Ų | 172 | 154.5 Ų | 154.5 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 143.2 | 174.1 | -77.3 | -80.5 | 172.9 | 0 | 0 | 111.7 | ||
| 703 | P | 30.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 145.4 | -170.1 | 20.2 | -7.3 | 0 | 0 | 0 | 114 | ||
| 704 | R | 25.4 | Very low | 27.9 | Very low | 240 Ų | 240 | 151.7 Ų | 151.7 | 91% | 0.906 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 117.3 | -172.6 | -168.1 | 175.5 | -175.6 | 162.4 | 0 | 111.2 | ||
| 705 | A | 29.1 | Very low | 27.9 | Very low | 92 Ų | 92 | 154 Ų | 154 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 130.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 706 | H | 29.7 | Very low | 27.8 | Very low | 183 Ų | 183 | 153.6 Ų | 153.6 | 85% | 0.847 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -80 | 116 | 177.5 | -78.8 | -85.4 | 0 | 0 | 0 | 111.3 | ||
| 707 | N | 30.6 | Very low | 27.7 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | -90.6 | 115.7 | 165.1 | -76.4 | -16.9 | 0 | 0 | 0 | 109.4 | ||||
| 708 | R | 25.9 | Very low | 27.8 | Very low | 236 Ų | 236 | 151.1 Ų | 151.1 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 144.9 | 173.4 | -86.2 | 179.4 | 172.7 | 173.3 | -2.6 | 110.9 | ||
| 709 | P | 28.6 | Very low | 27.8 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 131.8 | -177.7 | 32.9 | -30.5 | 0 | 0 | 0 | 111.1 | ||
| 710 | T | 30.2 | Very low | 28 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 136.2 | 173.4 | 44.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 711 | D | 27.8 | Very low | 28.1 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 148 | -166.3 | -69.2 | -50.6 | 0 | 0 | 0 | 116.3 | A713 | D711-A713 PolarHBondContact O-N 3.35Š|
| 712 | T | 26 | Very low | 28 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 85% | 0.847 | 82% | 0.816 | S | S | * | * | trans | -69.9 | 110.4 | 176.5 | 49 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 713 | A | 29.3 | Very low | 28.3 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -94.2 | 103.7 | 165 | 0 | 0 | 0 | 0 | 0 | 109.8 | D711 | D711-A713 PolarHBondContact O-N 3.35Š| ||
| 714 | S | 25.5 | Very low | 28.3 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -70.4 | 116 | 169.4 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 715 | L | 27.3 | Very low | 28.4 | Very low | 167 Ų | 167 | 144 Ų | 144 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -125.3 | 128.2 | 169.8 | -79.2 | 167.3 | 0 | 0 | 0 | 110.9 | ||||
| 716 | H | 27.4 | Very low | 28.5 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 135.4 | -172.3 | -99.5 | -109.5 | 0 | 0 | 0 | 115.2 | P718 | H716-P718 WeakPolarHBondContact O-CD 3.5Š|
| 717 | S | 26.1 | Very low | 28.6 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 120.4 | 164.4 | 56.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 718 | P | 29.4 | Very low | 28.6 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 71% | 0.714 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 124.9 | 171.9 | 28.6 | -22.2 | 0 | 0 | 0 | 110.2 | H716 I720 | H716-P718 WeakPolarHBondContact O-CD 3.5Å; P718-I720 PolarHBondContact O-N 3.43Å |
| 719 | V | 27.9 | Very low | 28.8 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -71.4 | 114.1 | 170.4 | 176.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 720 | I | 29.6 | Very low | 28.9 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 80% | 0.795 | 82% | 0.821 | S | S | * | * | trans | -122.2 | 123.1 | 170.8 | -61.9 | -179.3 | 0 | 0 | 0 | 109.3 | P718 | P718-I720 PolarHBondContact O-N 3.43Š| ||
| 721 | N | 30.1 | Very low | 28.9 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | trans | -66.2 | 145.3 | -171.9 | -73 | -44.3 | 0 | 0 | 0 | 113.5 | A723 | N721-A723 PolarHBondContact O-N 3.2Š| ||
| 722 | S | 28.1 | Very low | 29 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -49.6 | 114.5 | 174.2 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 723 | A | 29.1 | Very low | 29.3 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -93.4 | 133.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | N721 | N721-A723 PolarHBondContact O-N 3.2Š| ||
| 724 | K | 31 | Very low | 29.3 | Very low | 203 Ų | 203 | 146.1 Ų | 146.1 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -59.5 | 137 | -172 | -87.8 | 170.1 | 169.7 | 173.1 | 0 | 114.3 | M726 | K724-M726 PolarHBondContact O-N 2.87Š| ||
| 725 | L | 28.3 | Very low | 29.5 | Very low | 173 Ų | 173 | 148 Ų | 148 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -52.7 | 112.2 | 170.7 | -175.2 | 69.2 | 0 | 0 | 0 | 112.7 | ||||
| 726 | M | 30.2 | Very low | 29.7 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -80.7 | 131.5 | 170.4 | -76 | -169.6 | 162.7 | 0 | 0 | 110.9 | K724 | K724-M726 PolarHBondContact O-N 2.87Š| ||
| 727 | K | 33.1 | Very low | 29.9 | Very low | 207 Ų | 207 | 148.8 Ų | 148.8 | 90% | 0.9 | 81% | 0.814 | S | S | * | * | trans | -70.3 | 140 | 178.3 | -93.5 | 176 | 174.6 | 175.2 | 0 | 111.5 | G729 | K727-G729 PolarHBondContact O-N 3.08Š| ||
| 728 | T | 29.9 | Very low | 30.2 | Very low | 141 Ų | 141 | 150.7 Ų | 150.7 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -55 | 113.6 | -178.6 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 729 | G | 30.2 | Very low | 30.2 | Very low | 64 Ų | 64 | 151.8 Ų | 151.8 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | trans | -80.4 | 138.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K727 H731 | K727-G729 PolarHBondContact O-N 3.08Å; G729-H731 PolarHBondContact O-N 2.96Å | ||
| 730 | A | 31.3 | Very low | 30.7 | Very low | 103 Ų | 103 | 154.4 Ų | 154.4 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -57.3 | 123 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R732 | A730-R732 PolarHBondContact O-N 3.11Š| ||
| 731 | H | 29 | Very low | 31 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -63.5 | 97.2 | 171.6 | -77.1 | -92.7 | 0 | 0 | 0 | 110 | G729 S733 | G729-H731 PolarHBondContact O-N 2.96Å; H731-S733 PolarHBondContact O-N 3.16Å | ||
| 732 | R | 30.9 | Very low | 31.1 | Very low | 235 Ų | 235 | 154.1 Ų | 154.1 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -66.9 | 118.8 | 157.2 | -103.7 | -176.9 | 171.7 | -174.8 | -1.8 | 107.2 | A730 T734 | A730-R732 PolarHBondContact O-N 3.11Å; R732-T734 PolarHBondContact O-N 3Å | ||
| 733 | S | 30.9 | Very low | 31.3 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -52.3 | 104.1 | 178.6 | -42.2 | 0 | 0 | 0 | 0 | 110.3 | H731 E735 | H731-S733 PolarHBondContact O-N 3.16Å; S733-E735 PolarHBondContact O-N 3.38Å | ||
| 734 | T | 30 | Very low | 31.3 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -75.3 | 96.3 | 167.6 | 43.4 | 0 | 0 | 0 | 0 | 107.3 | R732 I736 | R732-T734 PolarHBondContact O-N 3Å; T734-I736 PolarHBondContact O-N 3.02Å; T734-I736 VanDerWaalsContact O-N 3.11Å | ||
| 735 | E | 30.9 | Very low | 31.1 | Very low | 156 Ų | 156 | 154.1 Ų | 154.1 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | trans | -51.2 | 112.7 | 170.4 | -154.4 | 173.6 | -148.8 | 0 | 0 | 108.5 | S733 R737 | S733-E735 PolarHBondContact O-N 3.38Å; E735-R737 VanDerWaalsContact C-N 3.3Å; E735-R737 PolarHBondContact O-N 2.93Å | ||
| 736 | I | 31.4 | Very low | 31.2 | Very low | 152 Ų | 152 | 151.5 Ų | 151.5 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -68.1 | 94.2 | 175.1 | -60.7 | 172.7 | 0 | 0 | 0 | 106.3 | T734 I738 | T734-I736 PolarHBondContact O-N 3.02Å; T734-I736 VanDerWaalsContact O-N 3.11Å; I736-I738 HydrophobicContact CG2-CG1 4.18Å; I736-I738 PolarHBondContact O-N 3.45Å | ||
| 737 | R | 30.9 | Very low | 31.1 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | trans | -68.6 | 99.8 | 166.6 | -82.4 | -174.1 | 171.3 | 95.6 | 1.9 | 107.5 | E735 D739 | E735-R737 VanDerWaalsContact C-N 3.3Å; E735-R737 PolarHBondContact O-N 2.93Å; R737-D739 PolarHBondContact O-N 3.04Å | ||
| 738 | I | 31.7 | Very low | 30.9 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | trans | -70.7 | 117.6 | 164.7 | -58.7 | 173.7 | 0 | 0 | 0 | 106.1 | I736 K740 | I736-I738 HydrophobicContact CG2-CG1 4.18Å; I736-I738 PolarHBondContact O-N 3.45Å; I738-K740 PolarHBondContact O-N 3.37Å | ||
| 739 | D | 29.6 | Very low | 30.8 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -54.3 | 130 | 175.5 | -99.4 | -31.1 | 0 | 0 | 0 | 110.2 | R737 T741 | R737-D739 PolarHBondContact O-N 3.04Å; D739-T741 PolarHBondContact O-N 3.03Å | ||
| 740 | K | 38.4 | Very low | 30.6 | Very low | 183 Ų | 183 | 154.5 Ų | 154.5 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -65.9 | 2.4 | -173.7 | -77.6 | -178.8 | 176.3 | 176.7 | 0 | 114.4 | I738 Q742 | I738-K740 PolarHBondContact O-N 3.37Å; K740-Q742 VanDerWaalsContact C-N 3.34Å; K740-Q742 PolarHBondContact O-N 3.13Å |
| 741 | T | 36.7 | Very low | 30.4 | Very low | 114 Ų | 114 | 160 Ų | 160 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -84.9 | 2.2 | -177.7 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | D739 | D739-T741 PolarHBondContact O-N 3.03Š|
| 742 | Q | 31.1 | Very low | 30.2 | Very low | 173 Ų | 173 | 155.5 Ų | 155.5 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -110.3 | 19.1 | 170.7 | -69.7 | -164.2 | 3.1 | 0 | 0 | 114.9 | K740 V744 | K740-Q742 VanDerWaalsContact C-N 3.34Å; K740-Q742 PolarHBondContact O-N 3.13Å; Q742-V744 PolarHBondContact O-N 3.42Å |
| 743 | L | 31.8 | Very low | 30 | Very low | 133 Ų | 133 | 152.6 Ų | 152.6 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | -80.5 | 97.4 | 165.1 | -87.9 | 147.2 | 0 | 0 | 0 | 108.5 | Q745 | L743-Q745 VanDerWaalsContact C-N 3.33Å; L743-Q745 PolarHBondContact O-N 3.29Å | ||
| 744 | V | 30.1 | Very low | 29.9 | Very low | 135 Ų | 135 | 153.5 Ų | 153.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -52.6 | 102.2 | 162.6 | 178.1 | 0 | 0 | 0 | 0 | 106.8 | Q742 | Q742-V744 PolarHBondContact O-N 3.42Š| ||
| 745 | Q | 26.5 | Very low | 29.6 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | -59.3 | 132.2 | 174.3 | -82.7 | -171 | -7.9 | 0 | 0 | 108 | L743 C747 | L743-Q745 VanDerWaalsContact C-N 3.33Å; L743-Q745 PolarHBondContact O-N 3.29Å; Q745-C747 PolarHBondContact O-N 2.89Å | ||
| 746 | P | 30.2 | Very low | 29.4 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -59.1 | 124.8 | 176.9 | 23.8 | -31.3 | 0 | 0 | 0 | 108.4 | E748 | P746-E748 PolarHBondContact O-N 2.76Š| ||
| 747 | C | 28.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 151.4 Ų | 151.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -45 | 115.5 | -178.7 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | Q745 T749 | Q745-C747 PolarHBondContact O-N 2.89Å; C747-T749 PolarHBondContact O-N 2.94Å; C747-T749 VanDerWaalsContact O-N 3.11Å | ||
| 748 | E | 29.1 | Very low | 29 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -56.4 | 119.7 | 172.1 | -68.6 | -174.6 | 155.2 | 0 | 0 | 108.2 | P746 Y750 | P746-E748 PolarHBondContact O-N 2.76Å; E748-Y750 PolarHBondContact O-N 3.42Å | ||
| 749 | T | 27.6 | Very low | 28.8 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -56 | 110 | 174.4 | -24.9 | 0 | 0 | 0 | 0 | 107.6 | C747 R751 | C747-T749 PolarHBondContact O-N 2.94Å; C747-T749 VanDerWaalsContact O-N 3.11Å; T749-R751 VanDerWaalsContact C-N 3.33Å; T749-R751 PolarHBondContact O-N 3.28Å | ||
| 750 | Y | 26.2 | Very low | 28.6 | Very low | 236 Ų | 236 | 150.6 Ų | 150.6 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -52.4 | 96.6 | 174 | -75.8 | -88.3 | 0 | 0 | 0 | 109.6 | E748 | E748-Y750 PolarHBondContact O-N 3.42Š| ||
| 751 | R | 26.4 | Very low | 28 | Very low | 217 Ų | 217 | 149.3 Ų | 149.3 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | trans | -87.2 | 109.2 | 165.2 | -159 | 173.3 | -175.7 | 139.1 | -1.8 | 104.9 | T749 H753 | T749-R751 VanDerWaalsContact C-N 3.33Å; T749-R751 PolarHBondContact O-N 3.28Å; R751-H753 PolarHBondContact O-CD2 3.04Å; R751-H753 VanDerWaalsContact O-CD2 3.29Å; R751-H753 PolarHBondContact O-N 3.11Å | ||
| 752 | A | 24.5 | Very low | 27.4 | Very low | 93 Ų | 93 | 150.4 Ų | 150.4 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -56.3 | 104.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V754 | A752-V754 PolarHBondContact O-N 3.45Š| ||
| 753 | H | 26.6 | Very low | 27.1 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -76.4 | 108.7 | 167.1 | -78 | -86.9 | 0 | 0 | 0 | 107.1 | R751 G755 | R751-H753 PolarHBondContact O-CD2 3.04Å; R751-H753 VanDerWaalsContact O-CD2 3.29Å; R751-H753 PolarHBondContact O-N 3.11Å; H753-G755 PolarHBondContact O-N 3.42Å; H753-G755 VanDerWaalsContact O-N 3.13Å | ||
| 754 | V | 29 | Very low | 26.8 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -71.2 | 102 | 164 | -178.6 | 0 | 0 | 0 | 0 | 105.5 | A752 Y756 | A752-V754 PolarHBondContact O-N 3.45Å; V754-Y756 PolarHBondContact O-N 2.81Å | ||
| 755 | G | 25.4 | Very low | 26.7 | Very low | 62 Ų | 62 | 153.3 Ų | 153.3 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | trans | -65.3 | 125.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | H753 | H753-G755 PolarHBondContact O-N 3.42Å; H753-G755 VanDerWaalsContact O-N 3.13Å | ||
| 756 | Y | 26.3 | Very low | 26.7 | Very low | 219 Ų | 219 | 154.9 Ų | 154.9 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -96.2 | 118.5 | 155.2 | -124.4 | -96.3 | 0 | 0 | 0 | 106.1 | V754 | V754-Y756 PolarHBondContact O-N 2.81Š| ||
| 757 | V | 26.3 | Very low | 26.4 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -91.1 | 101.4 | 179.2 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 758 | D | 27 | Very low | 26.1 | Very low | 152 Ų | 152 | 160.1 Ų | 160.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -94.2 | 101.5 | 158.5 | -85.1 | -24.6 | 0 | 0 | 0 | 107.8 | ||||
| 759 | N | 27.3 | Very low | 25.8 | Very low | 124 Ų | 124 | 160.9 Ų | 160.9 | 66% | 0.663 | 81% | 0.81 | S | S | * | * | trans | -64.2 | 130.6 | 162.8 | -74.3 | -33.1 | 0 | 0 | 0 | 107.8 | ||||
| 760 | F | 26.5 | Very low | 25.6 | Very low | 196 Ų | 196 | 163.3 Ų | 163.3 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | -177.2 | 133.4 | 129 | -88.6 | -60.4 | 0 | 0 | 0 | 112.4 | |||||
| 761 | Q | 25.7 | Very low | 25.6 | Very low | 157 Ų | 157 | 159.6 Ų | 159.6 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | 72.6 | 94.2 | 149.9 | -66.8 | 179.9 | -0.5 | 0 | 0 | 119.8 | H763 | Q761-H763 PolarHBondContact O-N 2.89Š| ||
| 762 | T | 22.8 | Very low | 25.5 | Very low | 137 Ų | 137 | 158.7 Ų | 158.7 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -51.7 | 116.8 | 156.1 | 47.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 763 | H | 26.5 | Very low | 25.5 | Very low | 158 Ų | 158 | 162.1 Ų | 162.1 | 73% | 0.731 | 82% | 0.817 | S | S | * | * | trans | -104 | 112.1 | 159.7 | -82.1 | -78.7 | 0 | 0 | 0 | 109.6 | Q761 F765 | Q761-H763 PolarHBondContact O-N 2.89Å; H763-F765 HydrophobicContact CB-CE2 4.37Å | ||
| 764 | N | 25.5 | Very low | 25.5 | Very low | 153 Ų | 153 | 157.4 Ų | 157.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -60.8 | 125.7 | 167.9 | -81.8 | -24.2 | 0 | 0 | 0 | 109.8 | ||||
| 765 | F | 26.9 | Very low | 25.4 | Very low | 190 Ų | 190 | 159.5 Ų | 159.5 | 83% | 0.833 | 82% | 0.817 | S | S | * | * | trans | -122.4 | 118.2 | 159.8 | -85.6 | -81.5 | 0 | 0 | 0 | 109.4 | H763 | H763-F765 HydrophobicContact CB-CE2 4.37Š| ||
| 766 | Q | 26 | Very low | 25.5 | Very low | 192 Ų | 192 | 163.7 Ų | 163.7 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -73 | 143.9 | -179.7 | -77.8 | 172.3 | -38.6 | 0 | 0 | 111.4 | ||||
| 767 | N | 24.2 | Very low | 25.6 | Very low | 159 Ų | 159 | 160.2 Ų | 160.2 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -54 | 135.6 | 172.1 | -59.5 | -33 | 0 | 0 | 0 | 112.3 | ||||
| 768 | M | 23.3 | Very low | 25.5 | Very low | 190 Ų | 190 | 161.8 Ų | 161.8 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | trans | -130 | 105.8 | 150.6 | -108.9 | 178.3 | 173.6 | 0 | 0 | 107.8 | ||||
| 769 | E | 22 | Very low | 25.5 | Very low | 179 Ų | 179 | 162.9 Ų | 162.9 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -51.6 | 139.4 | 159.8 | -78.4 | 167.2 | 133.3 | 0 | 0 | 109.7 | ||||
| 770 | M | 24.1 | Very low | 25.6 | Very low | 191 Ų | 191 | 164.3 Ų | 164.3 | 94% | 0.941 | 83% | 0.832 | S | S | * | * | trans | -147.9 | 138 | 149.4 | -89.3 | -118.9 | -88 | 0 | 0 | 110.4 | ||||
| 771 | D | 25.7 | Very low | 25.6 | Very low | 157 Ų | 157 | 164.2 Ų | 164.2 | 84% | 0.84 | 84% | 0.837 | S | S | * | * | trans | -74.8 | 148.7 | -152.1 | -75.5 | -51.3 | 0 | 0 | 0 | 116.7 | ||||
| 772 | F | 23.3 | Very low | 25.8 | Very low | 199 Ų | 199 | 166.3 Ų | 166.3 | 87% | 0.873 | 84% | 0.843 | S | S | * | * | trans | -59.8 | 125.7 | 159.8 | -100 | -105 | 0 | 0 | 0 | 111.2 | ||||
| 773 | N | 25.6 | Very low | 25.8 | Very low | 164 Ų | 164 | 168.1 Ų | 168.1 | 88% | 0.877 | 84% | 0.844 | S | S | * | * | trans | -177.7 | 104.7 | 137.7 | -93.7 | -19.1 | 0 | 0 | 0 | 111.1 | ||||
| 774 | G | 27 | Very low | 25.9 | Very low | 76 Ų | 76 | 167.9 Ų | 167.9 | 78% | 0.784 | 85% | 0.849 | S | S | * | * | trans | -132 | 94 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 775 | Q | 27.2 | Very low | 25.9 | Very low | 182 Ų | 182 | 167.9 Ų | 167.9 | 85% | 0.85 | 85% | 0.849 | S | S | * | * | trans | -65.3 | 142.1 | 178.7 | -77.8 | 174.2 | -35.1 | 0 | 0 | 111.8 | N777 | Q775-N777 PolarHBondContact O-N 3.02Š| ||
| 776 | I | 26.7 | Very low | 25.8 | Very low | 149 Ų | 149 | 171.2 Ų | 171.2 | 76% | 0.764 | 86% | 0.856 | S | S | * | * | trans | -78.7 | 110.3 | 179.5 | -63.1 | 166.6 | 0 | 0 | 0 | 108.3 | ||||
| 777 | N | 28 | Very low | 25.9 | Very low | 146 Ų | 146 | 171.5 Ų | 171.5 | 78% | 0.781 | 86% | 0.857 | S | S | * | * | trans | -89.1 | 113.1 | 170.7 | -71.8 | -15.4 | 0 | 0 | 0 | 109.3 | Q775 | Q775-N777 PolarHBondContact O-N 3.02Š| ||
| 778 | N | 24.7 | Very low | 25.8 | Very low | 147 Ų | 147 | 173.1 Ų | 173.1 | 79% | 0.786 | 86% | 0.86 | S | S | * | * | trans | -84.1 | 117.9 | 165.3 | -67 | -46.1 | 0 | 0 | 0 | 108 | ||||
| 779 | E | 27 | Very low | 25.9 | Very low | 175 Ų | 175 | 173.3 Ų | 173.3 | 82% | 0.818 | 86% | 0.858 | S | S | * | * | trans | -131.1 | 105.9 | 162.9 | -75.1 | -165.8 | 168.4 | 0 | 0 | 109.9 | ||||
| 780 | D | 28.8 | Very low | 26 | Very low | 154 Ų | 154 | 170.2 Ų | 170.2 | 82% | 0.824 | 86% | 0.857 | S | S | * | * | 38.6 | 96.9 | 128.4 | -58.8 | -18.4 | 0 | 0 | 0 | 118.4 | |||||
| 781 | M | 26.7 | Very low | 26.2 | Very low | 194 Ų | 194 | 167.5 Ų | 167.5 | 96% | 0.956 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 126.5 | 159 | -86.3 | -164.6 | 170.7 | 0 | 0 | 111.6 | ||
| 782 | F | 29.2 | Very low | 26.3 | Very low | 200 Ų | 200 | 168.1 Ų | 168.1 | 88% | 0.877 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 142.9 | -173.5 | -104 | -114.4 | 0 | 0 | 0 | 116.6 | ||
| 783 | M | 23 | Very low | 26.5 | Very low | 175 Ų | 175 | 163.9 Ų | 163.9 | 86% | 0.862 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 123.2 | 170 | -72.3 | -79.6 | -148.3 | 0 | 0 | 110.1 | ||
| 784 | D | 29.3 | Very low | 26.8 | Very low | 153 Ų | 153 | 165.6 Ų | 165.6 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | trans | -107 | 122.1 | 169.5 | -87.8 | -24.3 | 0 | 0 | 0 | 111.3 | ||||
| 785 | N | 25.8 | Very low | 26.9 | Very low | 153 Ų | 153 | 170.8 Ų | 170.8 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | -71 | 132 | 177.4 | -75.1 | -36.4 | 0 | 0 | 0 | 111.5 | ||||
| 786 | W | 24.5 | Very low | 27.3 | Very low | 260 Ų | 260 | 167.9 Ų | 167.9 | 99% | 0.985 | 85% | 0.848 | S | S | * | * | trans | -119.6 | 119.1 | 163 | -89.2 | -5.7 | 0 | 0 | 0 | 110.7 | ||||
| 787 | E | 27 | Very low | 27.7 | Very low | 199 Ų | 199 | 167.2 Ų | 167.2 | 93% | 0.93 | 85% | 0.851 | S | S | * | * | trans | -74.8 | 154.4 | 179.8 | -71.6 | -176.4 | 150.6 | 0 | 0 | 112.8 | ||||
| 788 | Q | 23.3 | Very low | 28.1 | Very low | 192 Ų | 192 | 165.5 Ų | 165.5 | 90% | 0.897 | 85% | 0.848 | S | S | * | * | trans | -109.2 | 99.6 | -158.2 | -169.1 | 167.9 | 39 | 0 | 0 | 109.2 | ||||
| 789 | E | 24.9 | Very low | 28.5 | Very low | 195 Ų | 195 | 163.9 Ų | 163.9 | 91% | 0.911 | 85% | 0.845 | S | S | * | * | trans | -92.7 | 128 | 169.5 | -88.9 | -168.4 | 158.2 | 0 | 0 | 111.9 | ||||
| 790 | S | 24.7 | Very low | 29 | Very low | 114 Ų | 114 | 161.4 Ų | 161.4 | 80% | 0.797 | 84% | 0.844 | S | S | * | * | trans | -92.6 | 119.6 | -173.3 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 791 | V | 28.6 | Very low | 29 | Very low | 134 Ų | 134 | 163.5 Ų | 163.5 | 81% | 0.812 | 85% | 0.849 | S | S | * | * | trans | -125.6 | 97.3 | 165.6 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | S793 | V791-S793 PolarHBondContact O-N 3.18Š| ||
| 792 | L | 27 | Very low | 29.1 | Very low | 169 Ų | 169 | 160.4 Ų | 160.4 | 89% | 0.885 | 84% | 0.842 | S | S | * | * | trans | -60.7 | 113.2 | 171.5 | -175.8 | 73.4 | 0 | 0 | 0 | 110.4 | ||||
| 793 | S | 27.9 | Very low | 29.3 | Very low | 111 Ų | 111 | 157 Ų | 157 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | trans | -131.5 | 131.9 | 168.1 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | V791 | V791-S793 PolarHBondContact O-N 3.18Š| ||
| 794 | K | 30.7 | Very low | 29.4 | Very low | 200 Ų | 200 | 157.2 Ų | 157.2 | 87% | 0.87 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 137.6 | -162.3 | -68.3 | 171.8 | 175.5 | 176.4 | 0 | 112.4 | ||
| 795 | E | 30.7 | Very low | 29.4 | Very low | 185 Ų | 185 | 155.2 Ų | 155.2 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 128.9 | 175.5 | -170.3 | 171.5 | -172.5 | 0 | 0 | 111.4 | ||
| 796 | P | 34.1 | Very low | 29.6 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 78% | 0.779 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 128.3 | -179.1 | 30.7 | -28.2 | 0 | 0 | 0 | 112 | ||
| 797 | V | 36.2 | Very low | 29.8 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 129.9 | -179.7 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 798 | P | 35.6 | Very low | 29.9 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 71% | 0.708 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 146.1 | 179.7 | 29.4 | -33.4 | 0 | 0 | 0 | 112.7 | ||
| 799 | P | 33.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 154.5 | -173.7 | 31.5 | -33.4 | 0 | 0 | 0 | 113 | ||
| 800 | P | 36.4 | Very low | 30.4 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 137.6 | -168.3 | 28.9 | -33.6 | 0 | 0 | 0 | 114 | ||
| 801 | E | 28.8 | Very low | 30.5 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 132.9 | -178.7 | -60.1 | 179.4 | 165 | 0 | 0 | 112.1 | ||
| 802 | T | 29.9 | Very low | 30.4 | Very low | 130 Ų | 130 | 154.4 Ų | 154.4 | 80% | 0.798 | 83% | 0.828 | S | S | * | * | trans | -113.6 | 145.4 | 170.4 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 803 | P | 32.4 | Very low | 30.3 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | trans | -83.8 | 138.9 | -152.4 | -7.9 | 26.3 | 0 | 0 | 0 | 113.4 | S805 | P803-S805 PolarHBondContact O-N 2.99Š| ||
| 804 | L | 25.3 | Very low | 30.3 | Very low | 179 Ų | 179 | 158.9 Ų | 158.9 | 94% | 0.937 | 83% | 0.831 | S | S | * | * | trans | -55 | 115.9 | 179.8 | -68.7 | 159.6 | 0 | 0 | 0 | 112.5 | ||||
| 805 | S | 29.3 | Very low | 29.9 | Very low | 112 Ų | 112 | 157.3 Ų | 157.3 | 78% | 0.783 | 83% | 0.831 | S | S | * | * | trans | -78.1 | 137.1 | 168.6 | 57.7 | 0 | 0 | 0 | 0 | 111 | P803 I807 | P803-S805 PolarHBondContact O-N 2.99Å; S805-I807 PolarHBondContact O-N 3.32Å | ||
| 806 | S | 29.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | trans | -68 | 114.2 | -171.5 | 45.2 | 0 | 0 | 0 | 0 | 112.7 | N808 | S806-N808 PolarHBondContact O-N 2.7Š| ||
| 807 | I | 29.6 | Very low | 29.4 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | trans | -76.7 | 112.8 | 175.2 | -66.1 | 171.4 | 0 | 0 | 0 | 109.7 | S805 K809 | S805-I807 PolarHBondContact O-N 3.32Å; I807-K809 PolarHBondContact O-N 3.35Å | ||
| 808 | N | 29.8 | Very low | 29.1 | Very low | 143 Ų | 143 | 154.7 Ų | 154.7 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | trans | -63.7 | 121.9 | 173.9 | -83.2 | -39.7 | 0 | 0 | 0 | 111.5 | S806 V810 | S806-N808 PolarHBondContact O-N 2.7Å; N808-V810 PolarHBondContact O-N 3.03Å | ||
| 809 | K | 29 | Very low | 28.7 | Very low | 197 Ų | 197 | 156.1 Ų | 156.1 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | trans | -68.3 | 96.2 | 175 | -74.8 | 174.1 | 177.8 | 171.1 | 0 | 110.8 | I807 R811 | I807-K809 PolarHBondContact O-N 3.35Å; K809-R811 PolarHBondContact O-N 3.41Å | ||
| 810 | V | 28.3 | Very low | 28.4 | Very low | 136 Ų | 136 | 156.6 Ų | 156.6 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -76.8 | 108.3 | 171.8 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | N808 R812 | N808-V810 PolarHBondContact O-N 3.03Å; V810-R812 PolarHBondContact O-N 3.32Å | ||
| 811 | R | 27.1 | Very low | 28.1 | Very low | 236 Ų | 236 | 157.6 Ų | 157.6 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -69.4 | 117.6 | 172.4 | -103.7 | 177.3 | 169.8 | 171.4 | -2.9 | 109.9 | K809 R813 | K809-R811 PolarHBondContact O-N 3.41Å; R811-R813 PolarHBondContact O-N 3.07Å | ||
| 812 | R | 26.1 | Very low | 28 | Very low | 244 Ų | 244 | 153.1 Ų | 153.1 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -58.1 | 120.2 | 169.8 | -71.7 | -180 | 173.3 | -171.5 | -3.3 | 110.1 | V810 | V810-R812 PolarHBondContact O-N 3.32Š| ||
| 813 | R | 25.6 | Very low | 27.8 | Very low | 241 Ų | 241 | 153.2 Ų | 153.2 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -91.4 | 112.7 | 165.8 | -79.6 | -179.8 | 162.1 | 160.1 | -4.5 | 108.4 | R811 | R811-R813 PolarHBondContact O-N 3.07Š| ||
| 814 | T | 27.1 | Very low | 27.7 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 124.7 | 170.2 | 43.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 815 | L | 23.7 | Very low | 27.6 | Very low | 167 Ų | 167 | 153.9 Ų | 153.9 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 133.3 | 177.9 | -68.6 | 168.7 | 0 | 0 | 0 | 110.4 | ||
| 816 | P | 28.3 | Very low | 27.6 | Very low | 118 Ų | 118 | 154.1 Ų | 154.1 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 130.7 | -179.2 | 28.8 | -30.6 | 0 | 0 | 0 | 110.7 | I818 | P816-I818 PolarHBondContact O-N 3.39Š|
| 817 | S | 25.7 | Very low | 27.4 | Very low | 115 Ų | 115 | 154.9 Ų | 154.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 119.4 | 179.4 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | M819 | S817-M819 PolarHBondContact O-N 2.72Š|
| 818 | I | 29.9 | Very low | 27.1 | Very low | 152 Ų | 152 | 158.5 Ų | 158.5 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -71 | 95.6 | 172.1 | -72.9 | 171.3 | 0 | 0 | 0 | 107.8 | P816 T820 | P816-I818 PolarHBondContact O-N 3.39Å; I818-T820 PolarHBondContact O-N 2.66Å | ||
| 819 | M | 26.1 | Very low | 26.9 | Very low | 140 Ų | 140 | 159.3 Ų | 159.3 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | trans | -58.3 | 122.8 | 164.6 | -75.7 | 170.8 | 56.8 | 0 | 0 | 109.1 | S817 E821 | S817-M819 PolarHBondContact O-N 2.72Å; M819-E821 HydrophobicContact CE-CG 4.24Å; M819-E821 WeakPolarHBondContact CE-OE1 3.42Å | ||
| 820 | T | 28.3 | Very low | 26.7 | Very low | 123 Ų | 123 | 154.9 Ų | 154.9 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | trans | -111.6 | 89.3 | 167.9 | 28.9 | 0 | 0 | 0 | 0 | 107.4 | I818 | I818-T820 PolarHBondContact O-N 2.66Š| ||
| 821 | E | 29.7 | Very low | 26.6 | Very low | 145 Ų | 145 | 154.6 Ų | 154.6 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | trans | -80.4 | 135.7 | 170.7 | -74.1 | -178.5 | 174.4 | 0 | 0 | 110 | M819 | M819-E821 HydrophobicContact CE-CG 4.24Å; M819-E821 WeakPolarHBondContact CE-OE1 3.42Å | ||
| 822 | P | 27.3 | Very low | 26.5 | Very low | 103 Ų | 103 | 150.8 Ų | 150.8 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -75.2 | 155.6 | 178 | 31.4 | -32.9 | 0 | 0 | 0 | 111.5 | I824 | P822-I824 PolarHBondContact O-N 2.89Å; P822-I824 VanDerWaalsContact O-N 3.12Å | ||
| 823 | P | 26.1 | Very low | 26.3 | Very low | 131 Ų | 131 | 148.3 Ų | 148.3 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -69 | 111.5 | -165.5 | 27.5 | -33.3 | 0 | 0 | 0 | 111.6 | ||||
| 824 | I | 29.2 | Very low | 26.3 | Very low | 133 Ų | 133 | 146 Ų | 146 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | -80.1 | 117.5 | 170.6 | -59.3 | 173 | 0 | 0 | 0 | 107.4 | P822 V826 | P822-I824 PolarHBondContact O-N 2.89Å; P822-I824 VanDerWaalsContact O-N 3.12Å; I824-V826 VanDerWaalsContact C-N 3.33Å; I824-V826 HydrophobicContact CB-CG2 4.3Å; I824-V826 HydrophobicContact CG2-CG2 3.81Å; I824-V826 PolarHBondContact O-N 2.78Å | ||
| 825 | Q | 24.5 | Very low | 26 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -66.9 | 92.6 | 167.3 | -71.4 | -178.1 | -7.6 | 0 | 0 | 108.4 | T827 | Q825-T827 PolarHBondContact O-N 3.16Š| ||
| 826 | V | 29 | Very low | 26.3 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | trans | -84 | 99.4 | 177.7 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | I824 R828 | I824-V826 VanDerWaalsContact C-N 3.33Å; I824-V826 HydrophobicContact CB-CG2 4.3Å; I824-V826 HydrophobicContact CG2-CG2 3.81Å; I824-V826 PolarHBondContact O-N 2.78Å; V826-R828 PolarHBondContact O-N 3.26Å | ||
| 827 | T | 25.7 | Very low | 26 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -56.7 | 117.5 | 158.4 | 40.8 | 0 | 0 | 0 | 0 | 108.7 | Q825 N829 | Q825-T827 PolarHBondContact O-N 3.16Å; T827-N829 PolarHBondContact O-N 3.38Å | ||
| 828 | R | 21.7 | Very low | 26.2 | Very low | 237 Ų | 237 | 145.7 Ų | 145.7 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | -46.9 | 117.8 | 178.6 | -73.2 | 174 | 172.5 | 152.3 | -2.9 | 110.9 | V826 | V826-R828 PolarHBondContact O-N 3.26Š| ||
| 829 | N | 27.1 | Very low | 26.3 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -135.7 | 119.7 | 150.2 | -84.6 | -25.2 | 0 | 0 | 0 | 108 | T827 | T827-N829 PolarHBondContact O-N 3.38Š| ||
| 830 | A | 25.1 | Very low | 26.3 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -64.9 | 131.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 831 | C | 25.2 | Very low | 26.2 | Very low | 131 Ų | 131 | 145 Ų | 145 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -150.6 | 142.8 | 151.8 | -158.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 832 | I | 25.8 | Very low | 25.9 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 80% | 0.8 | 82% | 0.82 | S | S | * | * | trans | -88 | 144.6 | -152.2 | -72.2 | 160.7 | 0 | 0 | 0 | 111.5 | M834 | I832-M834 PolarHBondContact O-N 3Š| ||
| 833 | K | 21.4 | Very low | 25.8 | Very low | 192 Ų | 192 | 156.4 Ų | 156.4 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -40.6 | 129.8 | 165.4 | -87.5 | 173.2 | 167.8 | 175.5 | 0 | 112.2 | ||||
| 834 | M | 24.9 | Very low | 25.9 | Very low | 191 Ų | 191 | 157 Ų | 157 | 94% | 0.941 | 83% | 0.83 | S | S | * | * | trans | -138 | 115.8 | 141.4 | -79.4 | -61.3 | -109.8 | 0 | 0 | 108.9 | I832 | I832-M834 PolarHBondContact O-N 3Š| ||
| 835 | G | 21.7 | Very low | 25.5 | Very low | 76 Ų | 76 | 160 Ų | 160 | 78% | 0.784 | 84% | 0.841 | S | S | * | * | trans | -98.5 | 148.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 836 | S | 29.5 | Very low | 25.7 | Very low | 106 Ų | 106 | 157.8 Ų | 157.8 | 74% | 0.741 | 84% | 0.84 | S | S | * | * | trans | -178.8 | 93.8 | 156.3 | -171.2 | 0 | 0 | 0 | 0 | 105 | ||||
| 837 | Q | 23.1 | Very low | 25.5 | Very low | 184 Ų | 184 | 158.8 Ų | 158.8 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | 30.1 | 115.1 | 90.2 | -65.2 | -162 | 6.8 | 0 | 0 | 114.1 | |||||
| 838 | I | 30.1 | Very low | 25.5 | Very low | 163 Ų | 163 | 161.8 Ų | 161.8 | 84% | 0.836 | 85% | 0.849 | S | S | * | * | trans | -172.1 | 147.4 | 138.7 | -90.8 | 150.3 | 0 | 0 | 0 | 108.6 | ||||
| 839 | P | 32 | Very low | 25.6 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 73% | 0.727 | 84% | 0.844 | S | S | * | * | trans | -115.7 | 163.1 | -144.4 | 34.8 | -19.4 | 0 | 0 | 0 | 116.8 | ||||
| 840 | N | 24.2 | Very low | 25.4 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 90% | 0.904 | 84% | 0.839 | S | S | * | * | trans | -19.1 | 123.5 | 164.9 | -66 | -37.3 | 0 | 0 | 0 | 118.3 | ||||
| 841 | S | 26.5 | Very low | 25.5 | Very low | 120 Ų | 120 | 153.5 Ų | 153.5 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | trans | -111 | 129.7 | 162.9 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 842 | R | 24.2 | Very low | 25.5 | Very low | 237 Ų | 237 | 155.7 Ų | 155.7 | 89% | 0.894 | 84% | 0.842 | S | S | * | * | trans | -53 | 130.7 | -177.5 | -85.6 | 169 | 158.9 | 166.6 | -7.5 | 113.1 | ||||
| 843 | R | 25.4 | Very low | 25.6 | Very low | 249 Ų | 249 | 153.3 Ų | 153.3 | 94% | 0.94 | 84% | 0.839 | S | S | * | * | trans | -105.7 | 113.8 | 166.1 | -153.8 | 175.6 | -168.6 | 175.6 | 3 | 108.9 | ||||
| 844 | N | 27.2 | Very low | 25.9 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 78% | 0.775 | 84% | 0.835 | S | S | * | * | trans | -74.5 | 146.1 | 175.7 | -81.3 | -13 | 0 | 0 | 0 | 111.4 | ||||
| 845 | E | 22 | Very low | 26.1 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | -68.7 | 131.1 | -179.1 | -61.6 | 175 | 142.9 | 0 | 0 | 111.2 | ||||
| 846 | T | 27.3 | Very low | 26.3 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 87% | 0.871 | 83% | 0.834 | S | S | * | * | trans | -123 | 145.7 | 160.2 | 42.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 847 | T | 26 | Very low | 26.2 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 85% | 0.847 | 84% | 0.835 | S | S | * | * | trans | -85.3 | 139.8 | -147.3 | -32.2 | 0 | 0 | 0 | 0 | 112.4 | G849 | T847-G849 PolarHBondContact O-N 3.37Š| ||
| 848 | K | 24.6 | Very low | 26.6 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -36.8 | 114.3 | 171.3 | -62.4 | 160.3 | -175.8 | 163.2 | 0 | 114.2 | ||||
| 849 | G | 23.4 | Very low | 26.7 | Very low | 76 Ų | 76 | 148.5 Ų | 148.5 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | -100.3 | 113.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | T847 | T847-G849 PolarHBondContact O-N 3.37Š| ||
| 850 | S | 24.1 | Very low | 26.7 | Very low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -85 | 125.7 | 176.2 | 55.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 851 | T | 27.1 | Very low | 27.1 | Very low | 143 Ų | 143 | 147.9 Ų | 147.9 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -132.4 | 108.3 | 157.5 | 0.6 | 0 | 0 | 0 | 0 | 108.2 | S853 | T851-S853 PolarHBondContact O-N 2.76Š| ||
| 852 | L | 25.9 | Very low | 27.7 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -68.3 | 114.6 | 173.8 | -75.7 | 147.9 | 0 | 0 | 0 | 108.5 | ||||
| 853 | S | 26.6 | Very low | 28.4 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -127.6 | 113.6 | 159.6 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | T851 | T851-S853 PolarHBondContact O-N 2.76Š| ||
| 854 | S | 28.5 | Very low | 29 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 43.8 | 80.2 | 150.9 | 59.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 855 | K | 28 | Very low | 29.4 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -67.8 | 137.9 | 134.5 | -77.5 | 172.8 | 174.9 | 174.5 | 0 | 106.5 | ||||
| 856 | L | 27 | Very low | 30 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | cis | -153.4 | 117 | 36.7 | -93.3 | 112.7 | 0 | 0 | 0 | 109.2 | ||||
| 857 | S | 28 | Very low | 30.7 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | trans | -92.8 | 105.5 | 146.8 | 48.3 | 0 | 0 | 0 | 0 | 106.4 | I859 | S857-I859 PolarHBondContact O-N 2.89Š| ||
| 858 | S | 30.4 | Very low | 31.6 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | trans | -65.8 | 97.7 | 173.3 | 58.4 | 0 | 0 | 0 | 0 | 108.7 | I860 | S858-I860 PolarHBondContact O-N 3.33Š| ||
| 859 | I | 32.9 | Very low | 32.7 | Very low | 142 Ų | 142 | 124 Ų | 124 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | trans | -57.9 | 103.1 | 162 | -65.2 | 165.2 | 0 | 0 | 0 | 106.3 | S857 D861 | S857-I859 PolarHBondContact O-N 2.89Å; I859-D861 PolarHBondContact O-N 2.86Å | ||
| 860 | I | 31.7 | Very low | 33.6 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | -74.8 | 112.6 | 163.5 | -65.6 | 174.2 | 0 | 0 | 0 | 105 | S858 D862 | S858-I860 PolarHBondContact O-N 3.33Å; I860-D862 PolarHBondContact O-N 2.78Å | ||
| 861 | D | 32.4 | Very low | 34.7 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | trans | -57.7 | 116.3 | 178.1 | -83.4 | -43.1 | 0 | 0 | 0 | 110.4 | I859 Q863 | I859-D861 PolarHBondContact O-N 2.86Å; D861-Q863 PolarHBondContact O-N 2.79Å | ||
| 862 | D | 38.8 | Very low | 35.5 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 10.4 | -179.5 | -143.6 | 19.5 | 0 | 0 | 0 | 113.1 | I860 | I860-D862 PolarHBondContact O-N 2.78Š|
| 863 | Q | 39.4 | Very low | 36.9 | Very low | 172 Ų | 172 | 119 Ų | 119 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -17.4 | 178.4 | -69.6 | -157.7 | -4.5 | 0 | 0 | 113.7 | D861 | D861-Q863 PolarHBondContact O-N 2.79Š|
| 864 | T | 38.1 | Very low | 38.1 | Very low | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -86.3 | -12.6 | -172.1 | -37.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 865 | V | 34.8 | Very low | 39.2 | Very low | 106 Ų | 106 | 116.6 Ų | 116.6 | 64% | 0.642 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -95 | -9.2 | -172.8 | -167.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 866 | H | 35.2 | Very low | 40.9 | Very low | 112 Ų | 112 | 108 Ų | 108 | 52% | 0.519 | 62% | 0.616 | S | S | . | * | trans | -139 | 42.8 | -172.4 | -52.4 | -57.5 | 0 | 0 | 0 | 115.6 | A868 Y879 | H866-A868 PolarHBondContact O-N 3Å; H866-Y879 HydrophobicContact CB-CE2 4.36Å; H866-Y879 WeakPolarHBondContact CB-OH 3.45Å; H866-Y879 PolarHBondContact O-OH 3.37Å | ||
| 867 | S | 41.4 | Very low | 42.4 | Very low | 57 Ų | 57 | 102.8 Ų | 102.8 | 40% | 0.399 | 60% | 0.597 | S | S | . | * | trans | -68 | 121.8 | 167.9 | -50.9 | 0 | 0 | 0 | 0 | 109.7 | E869 N870 | S867-E869 PolarHBondContact O-N 2.94Å; S867-N870 PolarHBondContact O-N 2.72Å | ||
| 868 | A | 45.7 | Very low | 44.1 | Very low | 36 Ų | 36 | 101.4 Ų | 101.4 | 30% | 0.298 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -57.3 | -14.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H866 N870 L871 Y879 | H866-A868 PolarHBondContact O-N 3Å; A868-N870 PolarHBondContact O-N 3.23Å; A868-L871 PolarHBondContact O-N 2.74Å; A868-Y879 HydrophobicContact CB-CD1 4.04Å; A868-Y879 HydrophobicContact CB-CE1 4.38Å |
| 869 | E | 46.9 | Very low | 45.6 | Very low | 180 Ų | 180 | 99.4 Ų | 99.4 | 84% | 0.841 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -64.2 | -22.5 | 179.2 | -63.2 | -177.6 | 171.8 | 0 | 0 | 113.6 | S867 | S867-E869 PolarHBondContact O-N 2.94Š|
| 870 | N | 42.4 | Very low | 47.4 | Very low | 150 Ų | 150 | 98 Ų | 98 | 80% | 0.802 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -97.4 | 5.2 | 178.6 | -69.1 | -24.5 | 0 | 0 | 0 | 114 | S867 A868 | S867-N870 PolarHBondContact O-N 2.72Å; A868-N870 PolarHBondContact O-N 3.23Å |
| 871 | L | 48.5 | Very low | 48.9 | Very low | 70 Ų | 70 | 96 Ų | 96 | 37% | 0.366 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -98.9 | 135.1 | 177.9 | -71.9 | 162.4 | 0 | 0 | 0 | 110.3 | A868 A875 A876 Y879 | A868-L871 PolarHBondContact O-N 2.74Å; L871-A875 HydrophobicContact CB-CB 4.27Å; L871-A875 HydrophobicContact CD2-CB 4.13Å; L871-A876 HydrophobicContact CB-CB 4.24Å; L871-Y879 HydrophobicContact CD1-CD1 4.14Å; L871-Y879 HydrophobicContact CD1-CD2 4.1Å; L871-Y879 HydrophobicContact CD1-CG 3.74Å |
| 872 | P | 43.3 | Very low | 50.3 | Low | 87 Ų | 87 | 95.5 Ų | 95.5 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | trans | -53.3 | 146.9 | 166.7 | -22.7 | 32.6 | 0 | 0 | 0 | 110.9 | D874 A875 A876 | P872-D874 PolarHBondContact O-N 3.16Å; P872-A875 PolarHBondContact O-N 2.84Å; P872-A876 PolarHBondContact O-N 3.37Å | ||
| 873 | A | 54.1 | Low | 51.2 | Low | 91 Ų | 91 | 91.2 Ų | 91.2 | 75% | 0.752 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -55.8 | -28.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115 | A877 | A873-A877 PolarHBondContact O-N 3.18Å |
| 874 | D | 52.5 | Low | 52.9 | Low | 127 Ų | 127 | 84.2 Ų | 84.2 | 68% | 0.679 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -73 | -39.1 | 176.3 | 66.2 | -26.3 | 0 | 0 | 0 | 112.6 | P872 T878 | P872-D874 PolarHBondContact O-N 3.16Å; D874-T878 PolarHBondContact O-OG1 2.85Å |
| 875 | A | 52.6 | Low | 54.1 | Low | 36 Ų | 36 | 83 Ų | 83 | 30% | 0.298 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.9 | -35.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L871 P872 A877 T878 Y879 | L871-A875 HydrophobicContact CB-CB 4.27Å; L871-A875 HydrophobicContact CD2-CB 4.13Å; P872-A875 PolarHBondContact O-N 2.84Å; A875-A877 VanDerWaalsContact C-N 3.33Å; A875-A877 PolarHBondContact O-N 3.04Å; A875-T878 PolarHBondContact O-N 3.05Å; A875-Y879 WeakPolarHBondContact O-CB 3.25Å; A875-Y879 PolarHBondContact O-N 3.17Å |
| 876 | A | 61.9 | Low | 55.3 | Low | 16 Ų | 16 | 85.3 Ų | 85.3 | 13% | 0.132 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L871 P872 T878 Y879 I880 | L871-A876 HydrophobicContact CB-CB 4.24Å; P872-A876 PolarHBondContact O-N 3.37Å; A876-T878 PolarHBondContact O-N 2.87Å; A876-Y879 PolarHBondContact O-N 2.89Å; A876-I880 WeakPolarHBondContact O-CD1 3.27Å; A876-I880 VanDerWaalsContact O-CG1 3.22Å; A876-I880 WeakPolarHBondContact O-CG1 3.21Å; A876-I880 PolarHBondContact O-N 2.93Å |
| 877 | A | 59.5 | Low | 56.7 | Low | 52 Ų | 52 | 87.1 Ų | 87.1 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A873 A875 I880 I881 | A873-A877 PolarHBondContact O-N 3.18Å; A875-A877 VanDerWaalsContact C-N 3.33Å; A875-A877 PolarHBondContact O-N 3.04Å; A877-I880 PolarHBondContact O-N 3.46Å; A877-I881 WeakPolarHBondContact O-CD1 3.4Å; A877-I881 VanDerWaalsContact O-CG1 3.27Å; A877-I881 WeakPolarHBondContact O-CG1 3.37Å; A877-I881 PolarHBondContact O-N 3.17Å; A877-I881 VanDerWaalsContact O-N 3.16Å |
| 878 | T | 63 | Low | 57.8 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 49% | 0.485 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 177.5 | -49.4 | 0 | 0 | 0 | 0 | 110.8 | D874 A875 A876 I880 I881 E882 | D874-T878 PolarHBondContact O-OG1 2.85Å; A875-T878 PolarHBondContact O-N 3.05Å; A876-T878 PolarHBondContact O-N 2.87Å; T878-I880 PolarHBondContact O-N 2.87Å; T878-I881 PolarHBondContact O-N 2.98Å; T878-E882 PolarHBondContact O-N 2.82Å |
| 879 | Y | 62.5 | Low | 59 | Low | 54 Ų | 54 | 95 Ų | 95 | 21% | 0.212 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 178 | -174.8 | -99.5 | 0 | 0 | 0 | 112.8 | H866 A868 L871 A875 A876 I881 E882 N883 | H866-Y879 HydrophobicContact CB-CE2 4.36Å; H866-Y879 WeakPolarHBondContact CB-OH 3.45Å; H866-Y879 PolarHBondContact O-OH 3.37Å; A868-Y879 HydrophobicContact CB-CD1 4.04Å; A868-Y879 HydrophobicContact CB-CE1 4.38Å; L871-Y879 HydrophobicContact CD1-CD1 4.14Å; L871-Y879 HydrophobicContact CD1-CD2 4.1Å; L871-Y879 HydrophobicContact CD1-CG 3.74Å; A875-Y879 WeakPolarHBondContact O-CB 3.25Å; A875-Y879 PolarHBondContact O-N 3.17Å; A876-Y879 PolarHBondContact O-N 2.89Å; Y879-I881 VanDerWaalsContact C-N 3.32Å; Y879-I881 PolarHBondContact O-N 2.79Å; Y879-E882 PolarHBondContact O-N 2.91Å; Y879-N883 WeakPolarHBondContact CE1-ND2 3.32Å; Y879-N883 WeakPolarHBondContact O-CB 3.33Å; Y879-N883 PolarHBondContact O-N 3.44Å; Y879-N883 PolarHBondContact OH-ND2 3.2Å |
| 880 | I | 70.5 | Confident | 59.5 | Low | 111 Ų | 111 | 91.7 Ų | 91.7 | 57% | 0.569 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.4 | -40.3 | 176.2 | -69.3 | 164.3 | 0 | 0 | 0 | 110.9 | A876 A877 T878 G884 | A876-I880 WeakPolarHBondContact O-CD1 3.27Å; A876-I880 VanDerWaalsContact O-CG1 3.22Å; A876-I880 WeakPolarHBondContact O-CG1 3.21Å; A876-I880 PolarHBondContact O-N 2.93Å; A877-I880 PolarHBondContact O-N 3.46Å; T878-I880 PolarHBondContact O-N 2.87Å; I880-G884 PolarHBondContact O-N 3.47Å |
| 881 | I | 64.5 | Low | 60.6 | Low | 109 Ų | 109 | 87.6 Ų | 87.6 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.2 | -50.5 | 177.6 | -66 | 164.3 | 0 | 0 | 0 | 110.2 | A877 T878 Y879 N883 G884 I885 | A877-I881 WeakPolarHBondContact O-CD1 3.4Å; A877-I881 VanDerWaalsContact O-CG1 3.27Å; A877-I881 WeakPolarHBondContact O-CG1 3.37Å; A877-I881 PolarHBondContact O-N 3.17Å; A877-I881 VanDerWaalsContact O-N 3.16Å; T878-I881 PolarHBondContact O-N 2.98Å; Y879-I881 VanDerWaalsContact C-N 3.32Å; Y879-I881 PolarHBondContact O-N 2.79Å; I881-N883 PolarHBondContact O-N 3.38Å; I881-G884 PolarHBondContact O-N 3.47Å; I881-I885 HydrophobicContact CG2-CD1 4Å; I881-I885 WeakPolarHBondContact O-CG1 3.35Å; I881-I885 PolarHBondContact O-N 3.33Å |
| 882 | E | 60.3 | Low | 61.2 | Low | 106 Ų | 106 | 91.2 Ų | 91.2 | 50% | 0.495 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | -178.6 | -73.3 | -172.6 | 175.8 | 0 | 0 | 112.5 | T878 Y879 I885 R886 | T878-E882 PolarHBondContact O-N 2.82Å; Y879-E882 PolarHBondContact O-N 2.91Å; E882-I885 PolarHBondContact O-N 3.38Å; E882-R886 WeakPolarHBondContact O-CB 3.43Å; E882-R886 PolarHBondContact O-N 3.19Å |
| 883 | N | 58.8 | Low | 62.4 | Low | 46 Ų | 46 | 90.2 Ų | 90.2 | 25% | 0.246 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 175.4 | -95.4 | -6.2 | 0 | 0 | 0 | 112.8 | Y879 I881 I885 R886 K887 | Y879-N883 WeakPolarHBondContact CE1-ND2 3.32Å; Y879-N883 WeakPolarHBondContact O-CB 3.33Å; Y879-N883 PolarHBondContact O-N 3.44Å; Y879-N883 PolarHBondContact OH-ND2 3.2Å; I881-N883 PolarHBondContact O-N 3.38Å; N883-I885 VanDerWaalsContact C-N 3.28Å; N883-I885 PolarHBondContact O-N 3.43Å; N883-R886 PolarHBondContact O-N 3.23Å; N883-K887 PolarHBondContact O-N 3.13Å |
| 884 | G | 74.4 | Confident | 62.9 | Low | 26 Ų | 26 | 91.9 Ų | 91.9 | 27% | 0.268 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.9 | -33.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I880 I881 R888 | I880-G884 PolarHBondContact O-N 3.47Å; I881-G884 PolarHBondContact O-N 3.47Å; G884-R888 PolarHBondContact O-N 3.32Å; G884-R888 PolarHBondContact O-NE 3.06Å |
| 885 | I | 62.8 | Low | 63.6 | Low | 92 Ų | 92 | 91.6 Ų | 91.6 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.5 | -48.5 | 171.5 | -65.8 | 164.6 | 0 | 0 | 0 | 109.6 | I881 E882 N883 K887 R888 V889 | I881-I885 HydrophobicContact CG2-CD1 4Å; I881-I885 WeakPolarHBondContact O-CG1 3.35Å; I881-I885 PolarHBondContact O-N 3.33Å; E882-I885 PolarHBondContact O-N 3.38Å; N883-I885 VanDerWaalsContact C-N 3.28Å; N883-I885 PolarHBondContact O-N 3.43Å; I885-K887 PolarHBondContact O-N 3.19Å; I885-R888 PolarHBondContact O-N 3.39Å; I885-R888 VanDerWaalsContact O-N 3.12Å; I885-V889 HydrophobicContact CG2-CG2 4.34Å; I885-V889 WeakPolarHBondContact O-CG2 3.33Å; I885-V889 PolarHBondContact O-N 2.84Å |
| 886 | R | 60.3 | Low | 64.3 | Low | 155 Ų | 155 | 98.8 Ų | 98.8 | 59% | 0.585 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.1 | -44 | -177.8 | -148.9 | -176.7 | -71.5 | -148.8 | 2.5 | 112.4 | E882 N883 V889 Q890 | E882-R886 WeakPolarHBondContact O-CB 3.43Å; E882-R886 PolarHBondContact O-N 3.19Å; N883-R886 PolarHBondContact O-N 3.23Å; R886-V889 PolarHBondContact O-N 3.31Å; R886-Q890 WeakPolarHBondContact O-CG 3.09Å; R886-Q890 PolarHBondContact O-N 3.21Å; R886-Q890 VanDerWaalsContact O-N 3.11Å |
| 887 | K | 65 | Low | 64.2 | Low | 150 Ų | 150 | 103.1 Ų | 103.1 | 65% | 0.652 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.9 | -35.3 | 176.6 | -73.1 | -173 | 178.3 | -176.2 | 0 | 113.3 | N883 I885 A891 | N883-K887 PolarHBondContact O-N 3.13Å; I885-K887 PolarHBondContact O-N 3.19Å; K887-A891 PolarHBondContact O-N 3.09Å; K887-A891 VanDerWaalsContact O-N 3.08Å |
| 888 | R | 65.2 | Low | 64.2 | Low | 178 Ų | 178 | 106 Ų | 106 | 67% | 0.672 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.8 | -43.9 | 175.6 | -89.2 | -177 | -85.3 | -139.7 | 1.6 | 112.2 | G884 I885 Q890 A891 E892 | G884-R888 PolarHBondContact O-N 3.32Å; G884-R888 PolarHBondContact O-NE 3.06Å; I885-R888 PolarHBondContact O-N 3.39Å; I885-R888 VanDerWaalsContact O-N 3.12Å; R888-Q890 VanDerWaalsContact C-N 3.31Å; R888-Q890 PolarHBondContact O-N 3.3Å; R888-A891 PolarHBondContact O-N 3.3Å; R888-E892 PolarHBondContact O-N 2.91Å |
| 889 | V | 70.9 | Confident | 64.1 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 176.7 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | I885 R886 E892 T893 | I885-V889 HydrophobicContact CG2-CG2 4.34Å; I885-V889 WeakPolarHBondContact O-CG2 3.33Å; I885-V889 PolarHBondContact O-N 2.84Å; R886-V889 PolarHBondContact O-N 3.31Å; V889-E892 PolarHBondContact O-N 3.01Å; V889-T893 WeakPolarHBondContact O-CG2 3.45Å; V889-T893 PolarHBondContact O-N 3.37Å; V889-T893 PolarHBondContact O-OG1 3.38Å; V889-T893 VanDerWaalsContact O-OG1 3.08Å |
| 890 | Q | 56.3 | Low | 63.6 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 175.3 | -75.1 | 177.2 | -13.6 | 0 | 0 | 113 | R886 R888 E892 T893 H894 | R886-Q890 WeakPolarHBondContact O-CG 3.09Å; R886-Q890 PolarHBondContact O-N 3.21Å; R886-Q890 VanDerWaalsContact O-N 3.11Å; R888-Q890 VanDerWaalsContact C-N 3.31Å; R888-Q890 PolarHBondContact O-N 3.3Å; Q890-E892 VanDerWaalsContact C-N 3.32Å; Q890-E892 PolarHBondContact O-N 3.32Å; Q890-T893 WeakPolarHBondContact CA-OG1 3.32Å; Q890-T893 PolarHBondContact O-OG1 2.88Å; Q890-H894 PolarHBondContact O-CD2 3.2Å; Q890-H894 VanDerWaalsContact O-CD2 3.31Å; Q890-H894 PolarHBondContact O-N 3.2Å |
| 891 | A | 65.2 | Low | 62.4 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K887 R888 H894 H895 | K887-A891 PolarHBondContact O-N 3.09Å; K887-A891 VanDerWaalsContact O-N 3.08Å; R888-A891 PolarHBondContact O-N 3.3Å; A891-H894 PolarHBondContact O-N 3.08Å; A891-H895 WeakPolarHBondContact O-CB 3.46Å; A891-H895 PolarHBondContact O-N 2.9Å |
| 892 | E | 61.4 | Low | 61.6 | Low | 146 Ų | 146 | 111.5 Ų | 111.5 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.5 | -39.2 | 179.5 | -164.4 | 165.6 | -168.5 | 0 | 0 | 112.5 | R888 V889 Q890 H895 R896 | R888-E892 PolarHBondContact O-N 2.91Å; V889-E892 PolarHBondContact O-N 3.01Å; Q890-E892 VanDerWaalsContact C-N 3.32Å; Q890-E892 PolarHBondContact O-N 3.32Å; E892-H895 PolarHBondContact O-N 2.87Å; E892-R896 WeakPolarHBondContact O-CB 3.21Å; E892-R896 PolarHBondContact O-N 2.85Å |
| 893 | T | 68 | Low | 60.9 | Low | 66 Ų | 66 | 114.9 Ų | 114.9 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 174 | 48.8 | 0 | 0 | 0 | 0 | 112.4 | V889 Q890 R896 Q897 | V889-T893 WeakPolarHBondContact O-CG2 3.45Å; V889-T893 PolarHBondContact O-N 3.37Å; V889-T893 PolarHBondContact O-OG1 3.38Å; V889-T893 VanDerWaalsContact O-OG1 3.08Å; Q890-T893 WeakPolarHBondContact CA-OG1 3.32Å; Q890-T893 PolarHBondContact O-OG1 2.88Å; T893-R896 PolarHBondContact O-N 3.44Å; T893-Q897 WeakPolarHBondContact O-CG 3.35Å; T893-Q897 PolarHBondContact O-N 2.87Å; T893-Q897 VanDerWaalsContact O-N 3.07Å |
| 894 | H | 65.5 | Low | 60.3 | Low | 126 Ų | 126 | 119.6 Ų | 119.6 | 58% | 0.583 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.4 | -42.2 | 173.7 | -91.9 | -88.2 | 0 | 0 | 0 | 112.1 | Q890 A891 R896 Q897 Q898 | Q890-H894 PolarHBondContact O-CD2 3.2Å; Q890-H894 VanDerWaalsContact O-CD2 3.31Å; Q890-H894 PolarHBondContact O-N 3.2Å; A891-H894 PolarHBondContact O-N 3.08Å; H894-R896 VanDerWaalsContact C-N 3.33Å; H894-R896 PolarHBondContact O-N 2.73Å; H894-Q897 PolarHBondContact O-N 2.82Å; H894-Q898 PolarHBondContact O-N 2.96Å |
| 895 | H | 67.9 | Low | 58.8 | Low | 122 Ų | 122 | 122.6 Ų | 122.6 | 57% | 0.565 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.4 | -38.3 | 177.6 | -160.5 | 69.7 | 0 | 0 | 0 | 112 | A891 E892 Q898 N899 | A891-H895 WeakPolarHBondContact O-CB 3.46Å; A891-H895 PolarHBondContact O-N 2.9Å; E892-H895 PolarHBondContact O-N 2.87Å; H895-Q898 PolarHBondContact O-N 2.78Å; H895-N899 PolarHBondContact O-N 2.77Å |
| 896 | R | 66.4 | Low | 57.4 | Low | 187 Ų | 187 | 127.2 Ų | 127.2 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.1 | -38.4 | 176.8 | -154.5 | 176.4 | -170.7 | -179.2 | 2 | 112.6 | E892 T893 H894 Q900 | E892-R896 WeakPolarHBondContact O-CB 3.21Å; E892-R896 PolarHBondContact O-N 2.85Å; T893-R896 PolarHBondContact O-N 3.44Å; H894-R896 VanDerWaalsContact C-N 3.33Å; H894-R896 PolarHBondContact O-N 2.73Å; R896-Q900 WeakPolarHBondContact O-CG 3.25Å; R896-Q900 PolarHBondContact O-N 2.84Å |
| 897 | Q | 60.7 | Low | 56 | Low | 107 Ų | 107 | 122.9 Ų | 122.9 | 50% | 0.5 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69.1 | -38.5 | 175.3 | -71 | 178.7 | 27.1 | 0 | 0 | 112.3 | T893 H894 Q900 R901 | T893-Q897 WeakPolarHBondContact O-CG 3.35Å; T893-Q897 PolarHBondContact O-N 2.87Å; T893-Q897 VanDerWaalsContact O-N 3.07Å; H894-Q897 PolarHBondContact O-N 2.82Å; Q897-Q900 PolarHBondContact O-N 2.72Å; Q897-R901 PolarHBondContact O-N 3.23Å |
| 898 | Q | 59.6 | Low | 54.5 | Low | 112 Ų | 112 | 121 Ų | 121 | 52% | 0.523 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -62 | -48.1 | 175.7 | -163.3 | 96.5 | 13.1 | 0 | 0 | 111 | H894 H895 Q900 R901 D902 | H894-Q898 PolarHBondContact O-N 2.96Å; H895-Q898 PolarHBondContact O-N 2.78Å; Q898-Q900 PolarHBondContact O-N 2.84Å; Q898-R901 WeakPolarHBondContact O-CB 3.4Å; Q898-R901 PolarHBondContact O-N 2.96Å; Q898-D902 PolarHBondContact O-N 2.85Å |
| 899 | N | 60.7 | Low | 52.7 | Low | 77 Ų | 77 | 119.3 Ų | 119.3 | 41% | 0.412 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.5 | -27.4 | 178.7 | -76.1 | -18.5 | 0 | 0 | 0 | 113.3 | H895 K903 | H895-N899 PolarHBondContact O-N 2.77Å; N899-K903 WeakPolarHBondContact O-CG 3.43Å; N899-K903 PolarHBondContact O-N 3.09Å |
| 900 | Q | 51.6 | Low | 50.7 | Low | 121 Ų | 121 | 119.2 Ų | 119.2 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.3 | -38 | 172.4 | -76.1 | 177.9 | 1.6 | 0 | 0 | 112 | R896 Q897 Q898 K903 I904 | R896-Q900 WeakPolarHBondContact O-CG 3.25Å; R896-Q900 PolarHBondContact O-N 2.84Å; Q897-Q900 PolarHBondContact O-N 2.72Å; Q898-Q900 PolarHBondContact O-N 2.84Å; Q900-K903 PolarHBondContact O-N 3.02Å; Q900-I904 WeakPolarHBondContact O-CG1 3.47Å; Q900-I904 PolarHBondContact O-N 2.86Å |
| 901 | R | 44.1 | Very low | 49.4 | Very low | 184 Ų | 184 | 119.4 Ų | 119.4 | 69% | 0.694 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.4 | -39.6 | 175.6 | -74.6 | -179.7 | 170.2 | 168 | -2.4 | 112.2 | Q897 Q898 K903 I904 | Q897-R901 PolarHBondContact O-N 3.23Å; Q898-R901 WeakPolarHBondContact O-CB 3.4Å; Q898-R901 PolarHBondContact O-N 2.96Å; R901-K903 VanDerWaalsContact C-N 3.31Å; R901-K903 PolarHBondContact O-N 3.49Å; R901-I904 PolarHBondContact O-N 2.92Å |
| 902 | D | 47.8 | Very low | 48 | Very low | 87 Ų | 87 | 122.7 Ų | 122.7 | 47% | 0.465 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -72.1 | -24.8 | 179.4 | -68.3 | -26 | 0 | 0 | 0 | 113 | Q898 I904 S905 | Q898-D902 PolarHBondContact O-N 2.85Å; D902-I904 VanDerWaalsContact C-N 3.34Å; D902-S905 PolarHBondContact O-OG 3.28Å |
| 903 | K | 46.7 | Very low | 46.4 | Very low | 176 Ų | 176 | 124.8 Ų | 124.8 | 77% | 0.765 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.9 | -25 | 172.4 | -80 | -176.6 | 178.3 | -171.8 | 0 | 113.5 | N899 Q900 R901 | N899-K903 WeakPolarHBondContact O-CG 3.43Å; N899-K903 PolarHBondContact O-N 3.09Å; Q900-K903 PolarHBondContact O-N 3.02Å; R901-K903 VanDerWaalsContact C-N 3.31Å; R901-K903 PolarHBondContact O-N 3.49Å |
| 904 | I | 46.2 | Very low | 44.4 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -82.3 | -19.6 | -180 | -63.6 | 165.8 | 0 | 0 | 0 | 111.3 | Q900 R901 D902 | Q900-I904 WeakPolarHBondContact O-CG1 3.47Å; Q900-I904 PolarHBondContact O-N 2.86Å; R901-I904 PolarHBondContact O-N 2.92Å; D902-I904 VanDerWaalsContact C-N 3.34Å |
| 905 | S | 42.3 | Very low | 42.7 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 0.9 | -178.3 | 70.7 | 0 | 0 | 0 | 0 | 115.2 | D902 | D902-S905 PolarHBondContact O-OG 3.28Š|
| 906 | K | 33.2 | Very low | 40.7 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 82% | 0.822 | 71% | 0.709 | S | S | * | * | trans | -124.3 | 78.3 | 176.2 | -67.9 | -171.4 | 179.8 | -179.8 | 0 | 111.2 | ||||
| 907 | G | 32.4 | Very low | 38.8 | Very low | 64 Ų | 64 | 129.4 Ų | 129.4 | 66% | 0.66 | 72% | 0.718 | S | S | * | * | trans | -156.9 | 97.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 908 | S | 31.8 | Very low | 37.2 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | 43.3 | 109.7 | 149.5 | 63.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 909 | T | 28.4 | Very low | 35.6 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | 15.3 | 113.6 | 127.5 | 57 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 910 | G | 29.5 | Very low | 34 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | -177 | 132.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 911 | S | 28.5 | Very low | 33 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -51.3 | 157.1 | -165.2 | 37.6 | 0 | 0 | 0 | 0 | 119.2 | Q913 | S911-Q913 PolarHBondContact O-N 2.87Š| ||
| 912 | P | 35.2 | Very low | 32.3 | Very low | 133 Ų | 133 | 141 Ų | 141 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -86.4 | 113.4 | -165 | 34.3 | -30.2 | 0 | 0 | 0 | 111.6 | ||||
| 913 | Q | 27.6 | Very low | 31.4 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -108.5 | 128.9 | 163.2 | -78.5 | -175.2 | -18.7 | 0 | 0 | 109.8 | S911 A915 | S911-Q913 PolarHBondContact O-N 2.87Å; Q913-A915 PolarHBondContact O-N 3.42Å; Q913-A915 VanDerWaalsContact O-N 3.17Å | ||
| 914 | K | 27.2 | Very low | 30.5 | Very low | 212 Ų | 212 | 137.4 Ų | 137.4 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | trans | -39.2 | 111.1 | -177.2 | -83 | 171.2 | 168.4 | 174.7 | 0 | 112.3 | S916 | K914-S916 PolarHBondContact O-N 3.21Š| ||
| 915 | A | 28.4 | Very low | 29.6 | Very low | 99 Ų | 99 | 141.8 Ų | 141.8 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -71.3 | 106.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | Q913 E917 | Q913-A915 PolarHBondContact O-N 3.42Å; Q913-A915 VanDerWaalsContact O-N 3.17Å; A915-E917 PolarHBondContact O-N 2.84Å | ||
| 916 | S | 27 | Very low | 29.1 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | trans | -68.8 | 118.3 | 162.8 | 51 | 0 | 0 | 0 | 0 | 108.9 | K914 T918 | K914-S916 PolarHBondContact O-N 3.21Å; S916-T918 PolarHBondContact O-N 3.18Å | ||
| 917 | E | 25.4 | Very low | 28.9 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -54.1 | 99.8 | 173.8 | -70.6 | 174 | 154.7 | 0 | 0 | 110.4 | A915 | A915-E917 PolarHBondContact O-N 2.84Š| ||
| 918 | T | 26.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 66% | 0.663 | 83% | 0.831 | S | S | * | * | trans | -103.4 | 108.2 | 162.9 | 34 | 0 | 0 | 0 | 0 | 106.5 | S916 Y920 | S916-T918 PolarHBondContact O-N 3.18Å; T918-Y920 PolarHBondContact O-N 3.36Å | ||
| 919 | N | 27.7 | Very low | 28.3 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | trans | -51.5 | 110 | 175.4 | -77.5 | -38.7 | 0 | 0 | 0 | 109.7 | L921 | N919-L921 PolarHBondContact O-N 3.47Š| ||
| 920 | Y | 27.2 | Very low | 28.3 | Very low | 225 Ų | 225 | 152.8 Ų | 152.8 | 88% | 0.882 | 83% | 0.832 | S | S | * | * | trans | -64.3 | 103.7 | 168.9 | -80.9 | -91.2 | 0 | 0 | 0 | 108.2 | T918 E922 | T918-Y920 PolarHBondContact O-N 3.36Å; Y920-E922 PolarHBondContact O-N 2.82Å | ||
| 921 | L | 30.3 | Very low | 28.3 | Very low | 163 Ų | 163 | 153.5 Ų | 153.5 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -59.8 | 121.8 | 160.1 | -92.7 | 90.6 | 0 | 0 | 0 | 107.8 | N919 G923 | N919-L921 PolarHBondContact O-N 3.47Å; L921-G923 VanDerWaalsContact C-N 3.33Å; L921-G923 PolarHBondContact O-N 3.3Å | ||
| 922 | E | 27.9 | Very low | 28.2 | Very low | 196 Ų | 196 | 158.4 Ų | 158.4 | 92% | 0.916 | 83% | 0.833 | S | S | * | * | trans | -62.8 | 90.4 | 177.3 | -164.7 | 161.9 | -169.8 | 0 | 0 | 109.4 | Y920 S924 | Y920-E922 PolarHBondContact O-N 2.82Å; E922-S924 PolarHBondContact O-N 3.5Å | ||
| 923 | G | 30.5 | Very low | 28 | Very low | 70 Ų | 70 | 157 Ų | 157 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | -66.5 | 124.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L921 | L921-G923 VanDerWaalsContact C-N 3.33Å; L921-G923 PolarHBondContact O-N 3.3Å | ||
| 924 | S | 28 | Very low | 28.5 | Very low | 118 Ų | 118 | 152.4 Ų | 152.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -33.1 | 127 | 172 | -53.2 | 0 | 0 | 0 | 0 | 114.7 | E922 | E922-S924 PolarHBondContact O-N 3.5Š| ||
| 925 | R | 27.3 | Very low | 28.7 | Very low | 237 Ų | 237 | 151.9 Ų | 151.9 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 126.7 | 171.1 | -167.8 | 178.3 | -172.5 | -176.5 | 1.4 | 110.7 | E927 | R925-E927 PolarHBondContact O-N 2.98Š|
| 926 | P | 30.9 | Very low | 28.7 | Very low | 118 Ų | 118 | 157.6 Ų | 157.6 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 122.8 | -177.2 | 5.9 | 3 | 0 | 0 | 0 | 110.7 | ||
| 927 | E | 28 | Very low | 28.9 | Very low | 176 Ų | 176 | 158.1 Ų | 158.1 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 143.5 | 166.7 | -78.7 | -175.1 | 145.1 | 0 | 0 | 110.8 | R925 T929 | R925-E927 PolarHBondContact O-N 2.98Å; E927-T929 PolarHBondContact O-N 3.33Å |
| 928 | W | 22.9 | Very low | 29.2 | Very low | 257 Ų | 257 | 153.7 Ų | 153.7 | 97% | 0.973 | 80% | 0.797 | S | S | * | * | trans | -61 | 100.6 | -172.6 | -69.8 | 51 | 0 | 0 | 0 | 110.7 | ||||
| 929 | T | 29.3 | Very low | 29.2 | Very low | 138 Ų | 138 | 156.9 Ų | 156.9 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | trans | -91.5 | 119.7 | 162.6 | -1.3 | 0 | 0 | 0 | 0 | 108.5 | E927 | E927-T929 PolarHBondContact O-N 3.33Š| ||
| 930 | T | 29.7 | Very low | 29.4 | Very low | 137 Ų | 137 | 158 Ų | 158 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -45.4 | 139.6 | 179.9 | -0.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 931 | A | 28.1 | Very low | 29.5 | Very low | 94 Ų | 94 | 155.2 Ų | 155.2 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 3.8 | 114.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | D933 | A931-D933 PolarHBondContact O-N 3.26Å; A931-D933 VanDerWaalsContact O-N 3.09Å |
| 932 | Y | 27.2 | Very low | 29.3 | Very low | 217 Ų | 217 | 153.8 Ų | 153.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -37.1 | 106.5 | 167.4 | -167 | -96.5 | 0 | 0 | 0 | 112.9 | P934 | Y932-P934 HydrophobicContact CE1-CB 4.44Š| ||
| 933 | D | 30.9 | Very low | 29.4 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 55% | 0.551 | 79% | 0.792 | S | S | * | * | trans | -91.2 | 113.4 | 168.3 | -174.8 | -9.4 | 0 | 0 | 0 | 108.3 | A931 Y935 R936 | A931-D933 PolarHBondContact O-N 3.26Å; A931-D933 VanDerWaalsContact O-N 3.09Å; D933-Y935 PolarHBondContact O-N 3.35Å; D933-Y935 PolarHBondContact OD1-N 2.89Å; D933-R936 PolarHBondContact O-N 2.86Å | ||
| 934 | P | 37.9 | Very low | 29.1 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 60% | 0.604 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 1.4 | -175.7 | 26.4 | -32.9 | 0 | 0 | 0 | 114.7 | Y932 | Y932-P934 HydrophobicContact CE1-CB 4.44Š|
| 935 | Y | 30.6 | Very low | 29 | Very low | 201 Ų | 201 | 152 Ų | 152 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 18.7 | 177.3 | -60.9 | -72.3 | 0 | 0 | 0 | 115 | D933 P937 | D933-Y935 PolarHBondContact O-N 3.35Å; D933-Y935 PolarHBondContact OD1-N 2.89Å; Y935-P937 VanDerWaalsContact O-CD 3.24Å; Y935-P937 WeakPolarHBondContact O-CD 3.5Å |
| 936 | R | 29.7 | Very low | 29 | Very low | 218 Ų | 218 | 146.1 Ų | 146.1 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | trans | -88.7 | 105.5 | 170.6 | -161.6 | 178.9 | -159.7 | -127.3 | 2.8 | 109.8 | D933 A938 | D933-R936 PolarHBondContact O-N 2.86Å; R936-A938 PolarHBondContact O-N 2.93Å | ||
| 937 | P | 30.5 | Very low | 28.8 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -66.7 | 135.2 | 170.4 | -10.3 | 28.3 | 0 | 0 | 0 | 108.1 | Y935 M939 | Y935-P937 VanDerWaalsContact O-CD 3.24Å; Y935-P937 WeakPolarHBondContact O-CD 3.5Å; P937-M939 PolarHBondContact O-N 3.13Å | ||
| 938 | A | 31.1 | Very low | 28.8 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -57.5 | 106.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | R936 E940 | R936-A938 PolarHBondContact O-N 2.93Å; A938-E940 PolarHBondContact O-N 3.22Å | ||
| 939 | M | 26.9 | Very low | 28.9 | Very low | 175 Ų | 175 | 142.9 Ų | 142.9 | 86% | 0.862 | 78% | 0.778 | S | S | * | * | trans | -73.9 | 106.7 | 167.8 | -73.4 | -172.7 | 171.7 | 0 | 0 | 107 | P937 N941 | P937-M939 PolarHBondContact O-N 3.13Å; M939-N941 PolarHBondContact O-N 3.47Å | ||
| 940 | E | 33.5 | Very low | 28.8 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -55.8 | 134.1 | 160.9 | -72.1 | 178.8 | 163.2 | 0 | 0 | 108.1 | A938 T942 | A938-E940 PolarHBondContact O-N 3.22Å; E940-T942 PolarHBondContact O-N 2.96Å | ||
| 941 | N | 28.7 | Very low | 28.8 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -52.3 | 97.2 | -177.6 | -75.1 | -18.8 | 0 | 0 | 0 | 110.4 | M939 G943 | M939-N941 PolarHBondContact O-N 3.47Å; N941-G943 PolarHBondContact O-N 2.91Å | ||
| 942 | T | 26.6 | Very low | 28.8 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -70.4 | 89.7 | 165.6 | 51.5 | 0 | 0 | 0 | 0 | 107 | E940 V944 | E940-T942 PolarHBondContact O-N 2.96Å; T942-V944 PolarHBondContact O-N 2.93Å | ||
| 943 | G | 28.3 | Very low | 28.9 | Very low | 61 Ų | 61 | 136.6 Ų | 136.6 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -54.1 | 126.8 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | N941 I945 | N941-G943 PolarHBondContact O-N 2.91Å; G943-I945 VanDerWaalsContact C-N 3.32Å; G943-I945 PolarHBondContact O-N 3.37Å | ||
| 944 | V | 25.4 | Very low | 28.9 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -65.2 | 94.6 | 175.2 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | T942 T946 | T942-V944 PolarHBondContact O-N 2.93Å; V944-T946 VanDerWaalsContact C-N 3.29Å; V944-T946 HydrophobicContact CG1-CG2 4.13Å; V944-T946 PolarHBondContact O-N 3.46Å | ||
| 945 | I | 26.6 | Very low | 28.4 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | -75.9 | 92.1 | 165.3 | -58.9 | 176.8 | 0 | 0 | 0 | 105.5 | G943 A947 | G943-I945 VanDerWaalsContact C-N 3.32Å; G943-I945 PolarHBondContact O-N 3.37Å; I945-A947 VanDerWaalsContact C-N 3.31Å; I945-A947 PolarHBondContact O-N 3.39Å | ||
| 946 | T | 26.6 | Very low | 28.4 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -60.6 | 98.2 | 161.7 | 37.4 | 0 | 0 | 0 | 0 | 107.5 | V944 N948 | V944-T946 VanDerWaalsContact C-N 3.29Å; V944-T946 HydrophobicContact CG1-CG2 4.13Å; V944-T946 PolarHBondContact O-N 3.46Å; T946-N948 PolarHBondContact O-N 2.92Å | ||
| 947 | A | 26.7 | Very low | 28.3 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -64.6 | 103.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | I945 R949 | I945-A947 VanDerWaalsContact C-N 3.31Å; I945-A947 PolarHBondContact O-N 3.39Å; A947-R949 VanDerWaalsContact C-N 3.25Å; A947-R949 PolarHBondContact O-N 3.08Å | ||
| 948 | N | 27.1 | Very low | 28.2 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -59.9 | 91.1 | 164.2 | -82.7 | -14.7 | 0 | 0 | 0 | 108 | T946 S950 | T946-N948 PolarHBondContact O-N 2.92Å; N948-S950 VanDerWaalsContact C-N 3.31Å; N948-S950 PolarHBondContact O-N 3.49Å | ||
| 949 | R | 26.7 | Very low | 28.4 | Very low | 243 Ų | 243 | 146.8 Ų | 146.8 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -69.4 | 97.3 | 161.2 | -94.9 | -172.6 | -172.2 | -154.3 | 2 | 107.2 | A947 G951 | A947-R949 VanDerWaalsContact C-N 3.25Å; A947-R949 PolarHBondContact O-N 3.08Å; R949-G951 PolarHBondContact O-N 2.97Å | ||
| 950 | S | 26.7 | Very low | 28.7 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -62.5 | 81.5 | 158.7 | 54.4 | 0 | 0 | 0 | 0 | 108.9 | N948 | N948-S950 VanDerWaalsContact C-N 3.31Å; N948-S950 PolarHBondContact O-N 3.49Å | ||
| 951 | G | 28.5 | Very low | 28.5 | Very low | 63 Ų | 63 | 144.4 Ų | 144.4 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | trans | -113.7 | 98.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | R949 N953 | R949-G951 PolarHBondContact O-N 2.97Å; G951-N953 PolarHBondContact O-N 2.96Å | ||
| 952 | A | 28.7 | Very low | 28.9 | Very low | 106 Ų | 106 | 142 Ų | 142 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | -55 | 110.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 953 | N | 29.8 | Very low | 29.4 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -134.8 | 132.8 | 161.6 | -122.3 | -11.3 | 0 | 0 | 0 | 110.3 | G951 | G951-N953 PolarHBondContact O-N 2.96Š| ||
| 954 | K | 30.9 | Very low | 29.7 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | trans | -59.3 | 138.8 | -158.7 | -71.5 | 168.4 | 173.9 | 175.7 | 0 | 112.4 | H956 | K954-H956 PolarHBondContact O-N 3.4Å; K954-H956 VanDerWaalsContact O-N 3.16Å | ||
| 955 | Q | 26.3 | Very low | 30.5 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -51.4 | 110.7 | 171.9 | -66.6 | 170.3 | -16.9 | 0 | 0 | 110.4 | ||||
| 956 | H | 30.4 | Very low | 31.4 | Very low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -105.8 | 108.2 | 153.8 | -136.5 | -86.3 | 0 | 0 | 0 | 105.7 | K954 D958 | K954-H956 PolarHBondContact O-N 3.4Å; K954-H956 VanDerWaalsContact O-N 3.16Å; H956-D958 PolarHBondContact O-N 3.48Å | ||
| 957 | R | 27.3 | Very low | 31.8 | Very low | 229 Ų | 229 | 150 Ų | 150 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -76.6 | 109.1 | 175.5 | -77.6 | -177.7 | 174.9 | -179.1 | -2.6 | 107.6 | ||||
| 958 | D | 29.8 | Very low | 32.4 | Very low | 139 Ų | 139 | 150.2 Ų | 150.2 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -94.2 | 141.5 | 158.8 | -78.6 | -29.5 | 0 | 0 | 0 | 109.1 | H956 | H956-D958 PolarHBondContact O-N 3.48Š| ||
| 959 | P | 35.3 | Very low | 33.2 | Very low | 118 Ų | 118 | 151.7 Ų | 151.7 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -82.9 | 126.3 | -165.1 | 32.8 | -33.1 | 0 | 0 | 0 | 112.3 | S961 | P959-S961 PolarHBondContact O-N 3.38Š| ||
| 960 | E | 33.7 | Very low | 33.9 | Very low | 192 Ų | 192 | 144.9 Ų | 144.9 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | 30.2 | 86.1 | 143.2 | -63.2 | -178.5 | 174.1 | 0 | 0 | 116.9 | ||||
| 961 | S | 29 | Very low | 34.2 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 128.6 | 153.4 | 54.5 | 0 | 0 | 0 | 0 | 109.2 | P959 D963 | P959-S961 PolarHBondContact O-N 3.38Å; S961-D963 PolarHBondContact O-N 3.25Å |
| 962 | P | 36.8 | Very low | 34.5 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 133.7 | -170.1 | 28.9 | -33.6 | 0 | 0 | 0 | 110.9 | L964 | P962-L964 PolarHBondContact O-N 3.3Š|
| 963 | D | 37.4 | Very low | 34.6 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -51 | 121.1 | 177 | -74.3 | -40.4 | 0 | 0 | 0 | 111 | S961 L965 | S961-D963 PolarHBondContact O-N 3.25Å; D963-L965 PolarHBondContact O-N 3.07Å |
| 964 | L | 33.6 | Very low | 34.7 | Very low | 175 Ų | 175 | 152.1 Ų | 152.1 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -59.5 | 104.5 | 176.7 | -71.4 | 163.4 | 0 | 0 | 0 | 109.2 | P962 | P962-L964 PolarHBondContact O-N 3.3Š| ||
| 965 | L | 42.3 | Very low | 34.6 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 130.8 | 172.7 | -71.8 | 167.7 | 0 | 0 | 0 | 109.7 | D963 L967 | D963-L965 PolarHBondContact O-N 3.07Å; L965-L967 PolarHBondContact O-N 3.33Å |
| 966 | P | 45.8 | Very low | 34.9 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.5 | -179 | 23.3 | -31.5 | 0 | 0 | 0 | 111.2 | ||
| 967 | L | 35.1 | Very low | 35 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 135.5 | -173.8 | -74.6 | 159 | 0 | 0 | 0 | 112.6 | L965 | L965-L967 PolarHBondContact O-N 3.33Š|
| 968 | P | 38.7 | Very low | 35.1 | Very low | 89 Ų | 89 | 141 Ų | 141 | 58% | 0.578 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 147 | 178.7 | 23.4 | -30.3 | 0 | 0 | 0 | 112.2 | S970 Y971 | P968-S970 PolarHBondContact O-N 3.47Å; P968-Y971 PolarHBondContact O-N 3.35Å |
| 969 | K | 43.6 | Very low | 35.2 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -59.9 | -2.3 | -170.8 | -66.1 | -179.5 | 178.3 | 179.4 | 0 | 116 | Y971 V972 | K969-Y971 PolarHBondContact O-N 3.35Å; K969-V972 PolarHBondContact O-N 3.08Å |
| 970 | S | 41.7 | Very low | 35 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -66.5 | -14.3 | 175.3 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | P968 | P968-S970 PolarHBondContact O-N 3.47Š|
| 971 | Y | 33.8 | Very low | 34.8 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -95.9 | 10.5 | 176.4 | -72.8 | -82.3 | 0 | 0 | 0 | 114.5 | P968 K969 | P968-Y971 PolarHBondContact O-N 3.35Å; K969-Y971 PolarHBondContact O-N 3.35Å |
| 972 | V | 35.2 | Very low | 34.8 | Very low | 96 Ų | 96 | 136 Ų | 136 | 58% | 0.582 | 77% | 0.767 | S | S | * | * | trans | -93 | 102.6 | 172.2 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | K969 E974 | K969-V972 PolarHBondContact O-N 3.08Å; V972-E974 HydrophobicContact CG1-CG 4.15Å; V972-E974 PolarHBondContact O-N 3.22Å; V972-E974 VanDerWaalsContact O-N 3.11Å | ||
| 973 | I | 31.2 | Very low | 34.6 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -77.3 | 94.2 | 176.8 | -58 | 171.1 | 0 | 0 | 0 | 108 | S975 | I973-S975 PolarHBondContact O-N 2.93Š| ||
| 974 | E | 31.2 | Very low | 34.3 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 77% | 0.769 | S | S | * | * | trans | -79.4 | 116.4 | 173 | -69.1 | -174 | 174.7 | 0 | 0 | 110.3 | V972 I976 | V972-E974 HydrophobicContact CG1-CG 4.15Å; V972-E974 PolarHBondContact O-N 3.22Å; V972-E974 VanDerWaalsContact O-N 3.11Å; E974-I976 PolarHBondContact O-N 2.78Å; E974-I976 VanDerWaalsContact O-N 3.12Å | ||
| 975 | S | 29.6 | Very low | 34 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -76 | 94.7 | 179.1 | 59.5 | 0 | 0 | 0 | 0 | 111 | I973 | I973-S975 PolarHBondContact O-N 2.93Š| ||
| 976 | I | 30.7 | Very low | 33.5 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | trans | -130.2 | 94.4 | 167.6 | -52.9 | 177.5 | 0 | 0 | 0 | 109.2 | E974 | E974-I976 PolarHBondContact O-N 2.78Å; E974-I976 VanDerWaalsContact O-N 3.12Å | ||
| 977 | I | 33.6 | Very low | 32.5 | Very low | 147 Ų | 147 | 136 Ų | 136 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -135.2 | 93.7 | 160.3 | -57 | -179.7 | 0 | 0 | 0 | 107.8 | L979 | I977-L979 HydrophobicContact CG2-CD1 3.27Å; I977-L979 PolarHBondContact O-N 3.29Å | ||
| 978 | N | 29.1 | Very low | 31.9 | Very low | 152 Ų | 152 | 137 Ų | 137 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -84.4 | 97.9 | 164.1 | -78.8 | -32.6 | 0 | 0 | 0 | 107.9 | P980 | N978-P980 WeakPolarHBondContact O-CD 3.4Š| ||
| 979 | L | 31.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -100.1 | 109.7 | 164.3 | -105.6 | 87.3 | 0 | 0 | 0 | 109.6 | I977 | I977-L979 HydrophobicContact CG2-CD1 3.27Å; I977-L979 PolarHBondContact O-N 3.29Å | ||
| 980 | P | 31.4 | Very low | 30.6 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -80.3 | 137.3 | 168.8 | 31.6 | -28.5 | 0 | 0 | 0 | 110 | N978 | N978-P980 WeakPolarHBondContact O-CD 3.4Š| ||
| 981 | G | 30.3 | Very low | 30 | Very low | 68 Ų | 68 | 140.4 Ų | 140.4 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 115.7 | 15 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | V983 | G981-V983 PolarHBondContact O-N 2.92Å; G981-V983 VanDerWaalsContact O-N 3.08Å | ||
| 982 | A | 27.4 | Very low | 29.6 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -82.3 | 84.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.6 | K984 | A982-K984 PolarHBondContact O-N 2.83Š| ||
| 983 | V | 33.5 | Very low | 29.4 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | trans | -61.4 | 112.7 | 171.9 | -171.7 | 0 | 0 | 0 | 0 | 108.1 | G981 E985 | G981-V983 PolarHBondContact O-N 2.92Å; G981-V983 VanDerWaalsContact O-N 3.08Å; V983-E985 PolarHBondContact O-N 3.2Å | ||
| 984 | K | 31.3 | Very low | 29.1 | Very low | 201 Ų | 201 | 138 Ų | 138 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -67.1 | 100.6 | 171.5 | -79.3 | -179.6 | 173.9 | -178.6 | 0 | 108.6 | A982 A986 | A982-K984 PolarHBondContact O-N 2.83Å; K984-A986 PolarHBondContact O-N 3.04Å | ||
| 985 | E | 26.6 | Very low | 29 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -65.6 | 98.2 | 165.1 | -71.2 | -175.4 | 167.5 | 0 | 0 | 108.6 | V983 | V983-E985 PolarHBondContact O-N 3.2Š| ||
| 986 | A | 32 | Very low | 28.9 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -74.7 | 119.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.3 | K984 M988 | K984-A986 PolarHBondContact O-N 3.04Å; A986-M988 PolarHBondContact O-N 2.98Å; A986-M988 VanDerWaalsContact O-N 3.08Å | ||
| 987 | S | 24.4 | Very low | 28.8 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -68.5 | 95.8 | 172 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | ||
| 988 | M | 22.3 | Very low | 28.8 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | 149.3 | 117.6 | 140.3 | -85.9 | -178.2 | 58.6 | 0 | 0 | 109.8 | A986 | A986-M988 PolarHBondContact O-N 2.98Å; A986-M988 VanDerWaalsContact O-N 3.08Å | ||
| 989 | P | 28.9 | Very low | 28.7 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -77.9 | 128.8 | -179.4 | 29.9 | -30.6 | 0 | 0 | 0 | 111.2 | I991 | P989-I991 PolarHBondContact O-N 2.78Š| ||
| 990 | D | 27 | Very low | 28.4 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -61.6 | 123.8 | 176.4 | -73.8 | -39.1 | 0 | 0 | 0 | 111.7 | S992 | D990-S992 PolarHBondContact O-N 2.83Š| ||
| 991 | I | 27.7 | Very low | 28.1 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -75 | 107.7 | 168.4 | -64.4 | 170.9 | 0 | 0 | 0 | 107.5 | P989 T993 | P989-I991 PolarHBondContact O-N 2.78Å; I991-T993 PolarHBondContact O-N 2.58Å; I991-T993 VanDerWaalsContact O-N 3.13Å | ||
| 992 | S | 25.9 | Very low | 27.9 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -68.1 | 101.6 | -179.2 | 52.9 | 0 | 0 | 0 | 0 | 112 | D990 N994 | D990-S992 PolarHBondContact O-N 2.83Å; S992-N994 PolarHBondContact O-N 3.15Å | ||
| 993 | T | 30.5 | Very low | 27.9 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -80.9 | 94.1 | 160.8 | 45.8 | 0 | 0 | 0 | 0 | 109.2 | I991 R995 | I991-T993 PolarHBondContact O-N 2.58Å; I991-T993 VanDerWaalsContact O-N 3.13Å; T993-R995 PolarHBondContact O-N 2.74Å | ||
| 994 | N | 26.5 | Very low | 27.7 | Very low | 159 Ų | 159 | 145.7 Ų | 145.7 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -63.5 | 105.5 | 176.9 | -141.8 | 0.5 | 0 | 0 | 0 | 110 | S992 | S992-N994 PolarHBondContact O-N 3.15Š| ||
| 995 | R | 27.6 | Very low | 28 | Very low | 221 Ų | 221 | 141.3 Ų | 141.3 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -120.6 | 89.4 | 165.2 | -84.7 | -171.1 | -179.2 | -179.8 | 1.3 | 108.6 | T993 H997 | T993-R995 PolarHBondContact O-N 2.74Å; R995-H997 PolarHBondContact O-N 3.09Å | ||
| 996 | G | 29.2 | Very low | 28.1 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -65.2 | 115 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 997 | H | 28.9 | Very low | 27.9 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | trans | -90.1 | 93.7 | 164.7 | -78 | -82 | 0 | 0 | 0 | 107.6 | R995 | R995-H997 PolarHBondContact O-N 3.09Š| ||
| 998 | T | 31.7 | Very low | 27.9 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 120.6 | 162.9 | 43.4 | 0 | 0 | 0 | 0 | 108.4 | ||
| 999 | A | 28.2 | Very low | 28.1 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 135.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1000 | G | 24.8 | Very low | 28.3 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 167 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1001 | R | 24.7 | Very low | 28.5 | Very low | 213 Ų | 213 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -171.4 | 151.9 | 136.4 | -110.4 | -178 | -178.2 | -165.6 | 1 | 109.7 | ||||
| 1002 | Y | 27.8 | Very low | 28.6 | Very low | 180 Ų | 180 | 139 Ų | 139 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | 95.7 | 96.6 | 169.3 | -54.9 | -69.8 | 0 | 0 | 0 | 118 | ||||
| 1003 | D | 26.4 | Very low | 28.9 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | 60.5 | 108.7 | 125.2 | -59.1 | -24.3 | 0 | 0 | 0 | 121.2 | |||||
| 1004 | S | 30.1 | Very low | 29.2 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -6.6 | 142.4 | 142.7 | -55.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 1005 | P | 37.8 | Very low | 29.8 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | -150.9 | 160.8 | 60.1 | 37.3 | -16 | 0 | 0 | 0 | 118 | |||||
| 1006 | S | 27.4 | Very low | 30.6 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 61.7 | 114.4 | 144 | 55.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1007 | R | 28 | Very low | 31.8 | Very low | 236 Ų | 236 | 136.5 Ų | 136.5 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | 156.6 | 115.1 | 112.3 | -162.9 | 171.7 | -161.5 | -158.7 | 5.5 | 113.6 | |||||
| 1008 | C | 24.1 | Very low | 33.1 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | 46.8 | 112.7 | 144.6 | -64.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1009 | T | 28.3 | Very low | 35 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | 39.6 | 106.7 | 125.8 | 32.8 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1010 | A | 31.5 | Very low | 37.6 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -150.3 | 112.6 | 137.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q1012 | A1010-Q1012 PolarHBondContact O-N 2.94Å; A1010-Q1012 VanDerWaalsContact O-N 3.13Å | ||
| 1011 | A | 30.7 | Very low | 39.8 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | trans | -67.6 | 104 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1012 | Q | 30.6 | Very low | 42.4 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -101.3 | 104.8 | 166.3 | -73.1 | -177.3 | -2.6 | 0 | 0 | 108.6 | A1010 | A1010-Q1012 PolarHBondContact O-N 2.94Å; A1010-Q1012 VanDerWaalsContact O-N 3.13Å | ||
| 1013 | Q | 31.7 | Very low | 45.1 | Very low | 183 Ų | 183 | 131.9 Ų | 131.9 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | -68.4 | 127.6 | 171.2 | -75.6 | 178.1 | -14.7 | 0 | 0 | 109.5 | ||||
| 1014 | P | 38.3 | Very low | 47.7 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | trans | -79.4 | 127.9 | -177 | 29.1 | -31.5 | 0 | 0 | 0 | 111.9 | S1016 | P1014-S1016 PolarHBondContact O-N 3.46Å; P1014-S1016 VanDerWaalsContact O-N 3.16Å | ||
| 1015 | V | 39.3 | Very low | 50.3 | Low | 146 Ų | 146 | 125.7 Ų | 125.7 | 89% | 0.885 | 73% | 0.727 | S | S | * | * | trans | -69.7 | 98.6 | 178.3 | -168.3 | 0 | 0 | 0 | 0 | 109.7 | G1017 | V1015-G1017 PolarHBondContact O-N 2.92Š| ||
| 1016 | S | 42.8 | Very low | 52.7 | Low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | -88.2 | 98.7 | 171.5 | 56.2 | 0 | 0 | 0 | 0 | 110 | P1014 V1018 | P1014-S1016 PolarHBondContact O-N 3.46Å; P1014-S1016 VanDerWaalsContact O-N 3.16Å; S1016-V1018 VanDerWaalsContact C-N 3.26Å; S1016-V1018 PolarHBondContact O-N 2.81Å | ||
| 1017 | G | 54 | Low | 55.5 | Low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | trans | -73 | 66.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | V1015 | V1015-G1017 PolarHBondContact O-N 2.92Š| ||
| 1018 | V | 56.6 | Low | 58.2 | Low | 127 Ų | 127 | 121 Ų | 121 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | trans | -109.6 | 103.6 | 169.5 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | S1016 T1020 | S1016-V1018 VanDerWaalsContact C-N 3.26Å; S1016-V1018 PolarHBondContact O-N 2.81Å; V1018-T1020 PolarHBondContact O-N 2.73Å | ||
| 1019 | L | 73 | Confident | 61.2 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 57% | 0.565 | 69% | 0.688 | S | S | * | * | trans | -56.4 | 131 | 176.2 | -74.8 | 159.8 | 0 | 0 | 0 | 109.8 | E1023 V1024 | L1019-E1023 HydrophobicContact CD2-CB 4.13Å; L1019-V1024 HydrophobicContact CB-CG2 4.19Å | ||
| 1020 | T | 82.9 | Confident | 64.2 | Low | 75 Ų | 75 | 117.3 Ų | 117.3 | 46% | 0.46 | 66% | 0.663 | S | S | . | * | trans | -67.8 | 154.5 | 178.4 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | V1018 E1022 E1023 V1024 | V1018-T1020 PolarHBondContact O-N 2.73Å; T1020-E1022 PolarHBondContact O-N 2.85Å; T1020-E1023 WeakPolarHBondContact CB-OE2 3.38Å; T1020-E1023 PolarHBondContact N-OE2 3.3Å; T1020-E1023 WeakPolarHBondContact O-CB 3.28Å; T1020-E1023 PolarHBondContact O-N 3.02Å; T1020-E1023 VanDerWaalsContact OG1-CD 3.3Å; T1020-E1023 WeakPolarHBondContact OG1-CG 3.29Å; T1020-E1023 PolarHBondContact OG1-N 2.91Å; T1020-E1023 PolarHBondContact OG1-OE2 3.2Å; T1020-V1024 PolarHBondContact O-N 2.82Å | ||
| 1021 | R | 69.9 | Low | 66.9 | Low | 222 Ų | 222 | 119.4 Ų | 119.4 | 84% | 0.838 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -57.6 | -32.6 | 179.2 | -174.2 | 178.1 | 177.5 | -176.8 | -0.6 | 112.3 | V1024 A1025 | R1021-V1024 PolarHBondContact O-N 2.92Å; R1021-A1025 WeakPolarHBondContact O-CB 3.49Å; R1021-A1025 PolarHBondContact O-N 2.78Å |
| 1022 | E | 80.3 | Confident | 69.5 | Low | 166 Ų | 166 | 123.1 Ų | 123.1 | 78% | 0.776 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.8 | -43.1 | 174.6 | -71.7 | -178.7 | 179.5 | 0 | 0 | 111.6 | T1020 V1024 A1025 R1026 | T1020-E1022 PolarHBondContact O-N 2.85Å; E1022-V1024 PolarHBondContact O-N 2.8Å; E1022-A1025 PolarHBondContact O-N 2.89Å; E1022-R1026 WeakPolarHBondContact O-CB 3.44Å; E1022-R1026 PolarHBondContact O-N 3.03Å |
| 1023 | E | 83.9 | Confident | 72.1 | Confident | 91 Ų | 91 | 120.7 Ų | 120.7 | 43% | 0.425 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.8 | -41.5 | 174.4 | -78.1 | 159.3 | 145.4 | 0 | 0 | 111.8 | L1019 T1020 A1025 R1026 L1027 | L1019-E1023 HydrophobicContact CD2-CB 4.13Å; T1020-E1023 WeakPolarHBondContact CB-OE2 3.38Å; T1020-E1023 PolarHBondContact N-OE2 3.3Å; T1020-E1023 WeakPolarHBondContact O-CB 3.28Å; T1020-E1023 PolarHBondContact O-N 3.02Å; T1020-E1023 VanDerWaalsContact OG1-CD 3.3Å; T1020-E1023 WeakPolarHBondContact OG1-CG 3.29Å; T1020-E1023 PolarHBondContact OG1-N 2.91Å; T1020-E1023 PolarHBondContact OG1-OE2 3.2Å; E1023-A1025 VanDerWaalsContact C-N 3.34Å; E1023-A1025 PolarHBondContact O-N 2.85Å; E1023-R1026 PolarHBondContact O-N 3.01Å; E1023-L1027 WeakPolarHBondContact O-CB 3.48Å; E1023-L1027 VanDerWaalsContact O-CG 3.24Å; E1023-L1027 WeakPolarHBondContact O-CG 3.5Å; E1023-L1027 PolarHBondContact O-N 3.43Å |
| 1024 | V | 81.2 | Confident | 74.5 | Confident | 79 Ų | 79 | 116.7 Ų | 116.7 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.5 | -42.2 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | L1019 T1020 R1021 E1022 S1028 | L1019-V1024 HydrophobicContact CB-CG2 4.19Å; T1020-V1024 PolarHBondContact O-N 2.82Å; R1021-V1024 PolarHBondContact O-N 2.92Å; E1022-V1024 PolarHBondContact O-N 2.8Å; V1024-S1028 VanDerWaalsContact O-CB 3.31Å; V1024-S1028 WeakPolarHBondContact O-CB 3.23Å; V1024-S1028 PolarHBondContact O-N 3.26Å |
| 1025 | A | 83.3 | Confident | 76.5 | Confident | 51 Ų | 51 | 114.8 Ų | 114.8 | 42% | 0.421 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.7 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1021 E1022 E1023 S1028 Q1029 | R1021-A1025 WeakPolarHBondContact O-CB 3.49Å; R1021-A1025 PolarHBondContact O-N 2.78Å; E1022-A1025 PolarHBondContact O-N 2.89Å; E1023-A1025 VanDerWaalsContact C-N 3.34Å; E1023-A1025 PolarHBondContact O-N 2.85Å; A1025-S1028 PolarHBondContact O-N 3.26Å; A1025-Q1029 WeakPolarHBondContact O-CG 3.27Å; A1025-Q1029 PolarHBondContact O-N 2.87Å |
| 1026 | R | 89 | Confident | 78.4 | Confident | 199 Ų | 199 | 115 Ų | 115 | 75% | 0.751 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.4 | -43.8 | 178.2 | -141.2 | -175 | -173.4 | 140.5 | 2.3 | 111.7 | E1022 E1023 Q1029 A1030 | E1022-R1026 WeakPolarHBondContact O-CB 3.44Å; E1022-R1026 PolarHBondContact O-N 3.03Å; E1023-R1026 PolarHBondContact O-N 3.01Å; R1026-Q1029 PolarHBondContact O-N 3.04Å; R1026-A1030 WeakPolarHBondContact O-CB 3.45Å; R1026-A1030 PolarHBondContact O-N 2.84Å |
| 1027 | L | 86.4 | Confident | 80.2 | Confident | 103 Ų | 103 | 115.5 Ų | 115.5 | 54% | 0.539 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65 | -38.8 | 175.9 | -71.3 | 169.7 | 0 | 0 | 0 | 111.9 | E1023 A1030 R1031 | E1023-L1027 WeakPolarHBondContact O-CB 3.48Å; E1023-L1027 VanDerWaalsContact O-CG 3.24Å; E1023-L1027 WeakPolarHBondContact O-CG 3.5Å; E1023-L1027 PolarHBondContact O-N 3.43Å; L1027-A1030 PolarHBondContact O-N 3.44Å; L1027-R1031 WeakPolarHBondContact O-CB 3.26Å; L1027-R1031 PolarHBondContact O-N 3.4Å |
| 1028 | S | 85.1 | Confident | 81.1 | Confident | 56 Ų | 56 | 115 Ų | 115 | 39% | 0.392 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 175.4 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | V1024 A1025 R1031 R1032 | V1024-S1028 VanDerWaalsContact O-CB 3.31Å; V1024-S1028 WeakPolarHBondContact O-CB 3.23Å; V1024-S1028 PolarHBondContact O-N 3.26Å; A1025-S1028 PolarHBondContact O-N 3.26Å; S1028-R1031 PolarHBondContact O-N 2.88Å; S1028-R1032 PolarHBondContact O-N 2.8Å; S1028-R1032 VanDerWaalsContact O-N 3.14Å |
| 1029 | Q | 87.1 | Confident | 81.8 | Confident | 128 Ų | 128 | 114.8 Ų | 114.8 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 174.6 | -76.3 | -178.1 | -7.4 | 0 | 0 | 112 | A1025 R1026 R1031 R1032 Q1033 | A1025-Q1029 WeakPolarHBondContact O-CG 3.27Å; A1025-Q1029 PolarHBondContact O-N 2.87Å; R1026-Q1029 PolarHBondContact O-N 3.04Å; Q1029-R1031 VanDerWaalsContact C-N 3.29Å; Q1029-R1031 PolarHBondContact O-N 3.41Å; Q1029-R1032 PolarHBondContact O-N 2.95Å; Q1029-Q1033 PolarHBondContact O-N 2.83Å |
| 1030 | A | 91.1 | Very high | 82 | Confident | 42 Ų | 42 | 111.8 Ų | 111.8 | 35% | 0.347 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | R1026 L1027 R1032 Q1033 E1034 | R1026-A1030 WeakPolarHBondContact O-CB 3.45Å; R1026-A1030 PolarHBondContact O-N 2.84Å; L1027-A1030 PolarHBondContact O-N 3.44Å; A1030-R1032 VanDerWaalsContact C-N 3.34Å; A1030-R1032 PolarHBondContact O-N 3.12Å; A1030-Q1033 PolarHBondContact O-N 3.39Å; A1030-E1034 WeakPolarHBondContact O-CG 3.45Å; A1030-E1034 PolarHBondContact O-N 2.95Å |
| 1031 | R | 87.4 | Confident | 81.3 | Confident | 136 Ų | 136 | 114 Ų | 114 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 177.9 | -171.7 | 57.1 | 175.8 | 170.7 | 1.7 | 113.3 | L1027 S1028 Q1029 E1034 L1035 | L1027-R1031 WeakPolarHBondContact O-CB 3.26Å; L1027-R1031 PolarHBondContact O-N 3.4Å; S1028-R1031 PolarHBondContact O-N 2.88Å; Q1029-R1031 VanDerWaalsContact C-N 3.29Å; Q1029-R1031 PolarHBondContact O-N 3.41Å; R1031-E1034 WeakPolarHBondContact CD-OE2 3.34Å; R1031-E1034 IonicContact CZ-OE2 2.83Å; R1031-E1034 IonicContact NH1-OE2 2.95Å; R1031-E1034 PolarHBondContact NH1-OE2 3.38Å; R1031-L1035 WeakPolarHBondContact O-CG 3.46Å; R1031-L1035 PolarHBondContact O-N 3.06Å; R1031-L1035 VanDerWaalsContact O-N 3.16Å |
| 1032 | R | 85.8 | Confident | 81.1 | Confident | 184 Ų | 184 | 112.9 Ų | 112.9 | 69% | 0.694 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.2 | -39.2 | 175 | -72 | -179.4 | -171.9 | -166.8 | 1 | 112 | S1028 Q1029 A1030 L1035 Y1036 | S1028-R1032 PolarHBondContact O-N 2.8Å; S1028-R1032 VanDerWaalsContact O-N 3.14Å; Q1029-R1032 PolarHBondContact O-N 2.95Å; A1030-R1032 VanDerWaalsContact C-N 3.34Å; A1030-R1032 PolarHBondContact O-N 3.12Å; R1032-L1035 PolarHBondContact O-N 2.9Å; R1032-Y1036 PolarHBondContact O-N 3.27Å; R1032-Y1036 VanDerWaalsContact O-N 3.12Å |
| 1033 | Q | 86.1 | Confident | 80.5 | Confident | 129 Ų | 129 | 112.3 Ų | 112.3 | 60% | 0.603 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -40.8 | 176.2 | -71.6 | 179.3 | -13.2 | 0 | 0 | 111.7 | Q1029 A1030 L1035 Y1036 H1037 | Q1029-Q1033 PolarHBondContact O-N 2.83Å; A1030-Q1033 PolarHBondContact O-N 3.39Å; Q1033-L1035 PolarHBondContact O-N 3.41Å; Q1033-Y1036 PolarHBondContact O-N 3.48Å; Q1033-H1037 PolarHBondContact O-CD2 2.99Å; Q1033-H1037 VanDerWaalsContact O-CD2 3.22Å; Q1033-H1037 PolarHBondContact O-N 3.45Å |
| 1034 | E | 80.9 | Confident | 79.6 | Confident | 99 Ų | 99 | 116.7 Ų | 116.7 | 46% | 0.463 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.1 | -48.1 | 173.6 | -74.5 | 179.2 | 172.5 | 0 | 0 | 112.1 | A1030 R1031 Y1036 H1037 E1038 | A1030-E1034 WeakPolarHBondContact O-CG 3.45Å; A1030-E1034 PolarHBondContact O-N 2.95Å; R1031-E1034 WeakPolarHBondContact CD-OE2 3.34Å; R1031-E1034 IonicContact CZ-OE2 2.83Å; R1031-E1034 IonicContact NH1-OE2 2.95Å; R1031-E1034 PolarHBondContact NH1-OE2 3.38Å; E1034-Y1036 VanDerWaalsContact C-N 3.3Å; E1034-Y1036 PolarHBondContact O-N 3.34Å; E1034-H1037 PolarHBondContact O-N 2.9Å; E1034-E1038 WeakPolarHBondContact O-CB 3.47Å; E1034-E1038 PolarHBondContact O-N 3.42Å |
| 1035 | L | 80.4 | Confident | 78.2 | Confident | 84 Ų | 84 | 115.6 Ų | 115.6 | 44% | 0.44 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 179.1 | -73.7 | 172.4 | 0 | 0 | 0 | 112.1 | R1031 R1032 Q1033 E1038 M1039 | R1031-L1035 WeakPolarHBondContact O-CG 3.46Å; R1031-L1035 PolarHBondContact O-N 3.06Å; R1031-L1035 VanDerWaalsContact O-N 3.16Å; R1032-L1035 PolarHBondContact O-N 2.9Å; Q1033-L1035 PolarHBondContact O-N 3.41Å; L1035-E1038 PolarHBondContact O-N 2.85Å; L1035-M1039 WeakPolarHBondContact O-CG 2.96Å; L1035-M1039 PolarHBondContact O-N 3.26Å |
| 1036 | Y | 80 | Confident | 76.7 | Confident | 151 Ų | 151 | 118.7 Ų | 118.7 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 176.5 | -173.5 | -96.4 | 0 | 0 | 0 | 111.9 | R1032 Q1033 E1034 E1038 M1039 E1040 | R1032-Y1036 PolarHBondContact O-N 3.27Å; R1032-Y1036 VanDerWaalsContact O-N 3.12Å; Q1033-Y1036 PolarHBondContact O-N 3.48Å; E1034-Y1036 VanDerWaalsContact C-N 3.3Å; E1034-Y1036 PolarHBondContact O-N 3.34Å; Y1036-E1038 VanDerWaalsContact C-N 3.32Å; Y1036-E1038 PolarHBondContact O-N 3.41Å; Y1036-M1039 PolarHBondContact O-N 3.22Å; Y1036-E1040 HydrophobicContact CE1-CG 4.12Å; Y1036-E1040 PolarHBondContact O-N 2.85Å |
| 1037 | H | 79 | Confident | 75.4 | Confident | 118 Ų | 118 | 116.4 Ų | 116.4 | 55% | 0.546 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 175.5 | -77.5 | -62 | 0 | 0 | 0 | 112.6 | Q1033 E1034 E1040 R1041 | Q1033-H1037 PolarHBondContact O-CD2 2.99Å; Q1033-H1037 VanDerWaalsContact O-CD2 3.22Å; Q1033-H1037 PolarHBondContact O-N 3.45Å; E1034-H1037 PolarHBondContact O-N 2.9Å; H1037-E1040 PolarHBondContact O-N 3.12Å; H1037-R1041 WeakPolarHBondContact O-CB 3.41Å; H1037-R1041 WeakPolarHBondContact O-CG 3.3Å; H1037-R1041 PolarHBondContact O-N 2.78Å |
| 1038 | E | 73.1 | Confident | 74 | Confident | 66 Ų | 66 | 115 Ų | 115 | 31% | 0.308 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.8 | -37.5 | 177.3 | -159.4 | 148 | -125.5 | 0 | 0 | 111.9 | E1034 L1035 Y1036 R1041 R1042 R1050 | E1034-E1038 WeakPolarHBondContact O-CB 3.47Å; E1034-E1038 PolarHBondContact O-N 3.42Å; L1035-E1038 PolarHBondContact O-N 2.85Å; Y1036-E1038 VanDerWaalsContact C-N 3.32Å; Y1036-E1038 PolarHBondContact O-N 3.41Å; E1038-R1041 PolarHBondContact O-N 2.96Å; E1038-R1042 WeakPolarHBondContact O-CG 3.11Å; E1038-R1042 PolarHBondContact O-N 3.09Å; E1038-R1050 IonicContact OE1-NH2 3.6Å; E1038-R1050 PolarHBondContact OE1-NH2 3.11Å; E1038-R1050 VanDerWaalsContact OE1-NH2 3.16Å |
| 1039 | M | 73 | Confident | 72.7 | Confident | 124 Ų | 124 | 117.7 Ų | 117.7 | 61% | 0.611 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.3 | -44.1 | 171.8 | -73.7 | -174.3 | 75.5 | 0 | 0 | 112.4 | L1035 Y1036 R1042 K1043 | L1035-M1039 WeakPolarHBondContact O-CG 2.96Å; L1035-M1039 PolarHBondContact O-N 3.26Å; Y1036-M1039 PolarHBondContact O-N 3.22Å; M1039-R1042 PolarHBondContact O-N 3.45Å; M1039-K1043 PolarHBondContact O-N 3.36Å; M1039-K1043 VanDerWaalsContact O-N 3.1Å |
| 1040 | E | 76.6 | Confident | 71.6 | Confident | 45 Ų | 45 | 117.7 Ų | 117.7 | 21% | 0.21 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -64.1 | -38.1 | 176.7 | -87.5 | -69.5 | 121.8 | 0 | 0 | 112.4 | Y1036 H1037 K1043 R1044 | Y1036-E1040 HydrophobicContact CE1-CG 4.12Å; Y1036-E1040 PolarHBondContact O-N 2.85Å; H1037-E1040 PolarHBondContact O-N 3.12Å; E1040-K1043 PolarHBondContact O-N 2.9Å; E1040-K1043 IonicContact OE1-NZ 2.93Å; E1040-K1043 PolarHBondContact OE1-NZ 3.08Å; E1040-R1044 WeakPolarHBondContact O-CG 3.07Å; E1040-R1044 PolarHBondContact O-N 3.49Å; E1040-R1044 VanDerWaalsContact O-N 3.17Å; E1040-R1044 IonicContact OE2-CZ 3.25Å; E1040-R1044 IonicContact OE2-NE 3.36Å; E1040-R1044 IonicContact OE2-NH2 2.69Å; E1040-R1044 PolarHBondContact OE2-NH2 2.96Å |
| 1041 | R | 67.1 | Low | 70.4 | Confident | 122 Ų | 122 | 122.8 Ų | 122.8 | 46% | 0.46 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -40.9 | 174.5 | -75.9 | -179.8 | -179.4 | 179.9 | 0.5 | 112.5 | H1037 E1038 K1043 R1044 G1045 E1046 | H1037-R1041 WeakPolarHBondContact O-CB 3.41Å; H1037-R1041 WeakPolarHBondContact O-CG 3.3Å; H1037-R1041 PolarHBondContact O-N 2.78Å; E1038-R1041 PolarHBondContact O-N 2.96Å; R1041-K1043 VanDerWaalsContact C-N 3.31Å; R1041-K1043 PolarHBondContact O-N 3.06Å; R1041-R1044 PolarHBondContact O-N 3.44Å; R1041-R1044 VanDerWaalsContact O-N 3.1Å; R1041-G1045 PolarHBondContact O-N 2.96Å; R1041-E1046 PolarHBondContact O-N 3.5Å |
| 1042 | R | 65.9 | Low | 69.4 | Low | 198 Ų | 198 | 119.2 Ų | 119.2 | 75% | 0.747 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.5 | -36.3 | 174.6 | -73.4 | -177 | -175.4 | -160 | 2.1 | 112.5 | E1038 M1039 R1044 G1045 | E1038-R1042 WeakPolarHBondContact O-CG 3.11Å; E1038-R1042 PolarHBondContact O-N 3.09Å; M1039-R1042 PolarHBondContact O-N 3.45Å; R1042-R1044 VanDerWaalsContact C-N 3.32Å; R1042-G1045 PolarHBondContact O-N 3.25Å |
| 1043 | K | 68.7 | Low | 68.9 | Low | 154 Ų | 154 | 115.1 Ų | 115.1 | 67% | 0.67 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.4 | -32.5 | 173.6 | -71.4 | -179.9 | -173.1 | 170.3 | 0 | 112.9 | M1039 E1040 R1041 G1045 | M1039-K1043 PolarHBondContact O-N 3.36Å; M1039-K1043 VanDerWaalsContact O-N 3.1Å; E1040-K1043 PolarHBondContact O-N 2.9Å; E1040-K1043 IonicContact OE1-NZ 2.93Å; E1040-K1043 PolarHBondContact OE1-NZ 3.08Å; R1041-K1043 VanDerWaalsContact C-N 3.31Å; R1041-K1043 PolarHBondContact O-N 3.06Å; K1043-G1045 PolarHBondContact O-N 3.22Å |
| 1044 | R | 64.7 | Low | 68.4 | Low | 182 Ų | 182 | 112.1 Ų | 112.1 | 69% | 0.687 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -3.9 | 176.7 | -65.6 | 176.4 | -148.6 | -134 | -2 | 113.5 | E1040 R1041 R1042 E1046 | E1040-R1044 WeakPolarHBondContact O-CG 3.07Å; E1040-R1044 PolarHBondContact O-N 3.49Å; E1040-R1044 VanDerWaalsContact O-N 3.17Å; E1040-R1044 IonicContact OE2-CZ 3.25Å; E1040-R1044 IonicContact OE2-NE 3.36Å; E1040-R1044 IonicContact OE2-NH2 2.69Å; E1040-R1044 PolarHBondContact OE2-NH2 2.96Å; R1041-R1044 PolarHBondContact O-N 3.44Å; R1041-R1044 VanDerWaalsContact O-N 3.1Å; R1042-R1044 VanDerWaalsContact C-N 3.32Å; R1044-E1046 PolarHBondContact O-N 3.49Å |
| 1045 | G | 52.4 | Low | 68.1 | Low | 56 Ų | 56 | 113.6 Ų | 113.6 | 58% | 0.577 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 15.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1041 R1042 K1043 I1047 | R1041-G1045 PolarHBondContact O-N 2.96Å; R1042-G1045 PolarHBondContact O-N 3.25Å; K1043-G1045 PolarHBondContact O-N 3.22Å; G1045-I1047 PolarHBondContact O-N 3.16Å |
| 1046 | E | 51.5 | Low | 68.1 | Low | 117 Ų | 117 | 114.6 Ų | 114.6 | 55% | 0.547 | 55% | 0.548 | S | S | . | . | trans | -79.7 | 104.9 | -179.8 | -162.9 | -178.8 | 178.7 | 0 | 0 | 109.8 | R1041 R1044 V1048 | R1041-E1046 PolarHBondContact O-N 3.5Å; R1044-E1046 PolarHBondContact O-N 3.49Å; E1046-V1048 HydrophobicContact CG-CG2 3.95Å; E1046-V1048 PolarHBondContact O-N 2.99Å | ||
| 1047 | I | 60.2 | Low | 68.3 | Low | 151 Ų | 151 | 114.4 Ų | 114.4 | 77% | 0.774 | 55% | 0.546 | S | S | * | . | trans | -79.2 | 86.1 | 177.3 | -56.5 | 169.8 | 0 | 0 | 0 | 108.1 | G1045 I1049 | G1045-I1047 PolarHBondContact O-N 3.16Å; I1047-I1049 HydrophobicContact CG2-CD1 4.49Å; I1047-I1049 HydrophobicContact CG2-CG1 3.86Å; I1047-I1049 PolarHBondContact O-N 3.33Å | ||
| 1048 | V | 57 | Low | 68.5 | Low | 74 Ų | 74 | 112 Ų | 112 | 45% | 0.448 | 54% | 0.536 | S | S | . | . | trans | -85.2 | 96 | 172.1 | -176 | 0 | 0 | 0 | 0 | 108.6 | E1046 R1050 | E1046-V1048 HydrophobicContact CG-CG2 3.95Å; E1046-V1048 PolarHBondContact O-N 2.99Å; V1048-R1050 PolarHBondContact O-N 3.01Å | ||
| 1049 | I | 58.8 | Low | 68.8 | Low | 112 Ų | 112 | 114.9 Ų | 114.9 | 57% | 0.574 | 55% | 0.55 | S | S | * | . | trans | -75.4 | 110.5 | 173.4 | -47.5 | 178.1 | 0 | 0 | 0 | 107.7 | I1047 I1054 | I1047-I1049 HydrophobicContact CG2-CD1 4.49Å; I1047-I1049 HydrophobicContact CG2-CG1 3.86Å; I1047-I1049 PolarHBondContact O-N 3.33Å; I1049-I1054 HydrophobicContact CB-CD1 4.37Å; I1049-I1054 HydrophobicContact CG2-CD1 3.55Å; I1049-I1054 HydrophobicContact CG2-CG1 3.39Å | ||
| 1050 | R | 63.2 | Low | 69.3 | Low | 128 Ų | 128 | 112.8 Ų | 112.8 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | trans | -74.2 | 138.5 | 175.8 | -60.4 | -151.4 | -169.1 | -159.9 | 10.2 | 109.9 | E1038 V1048 A1052 D1053 I1054 | E1038-R1050 IonicContact OE1-NH2 3.6Å; E1038-R1050 PolarHBondContact OE1-NH2 3.11Å; E1038-R1050 VanDerWaalsContact OE1-NH2 3.16Å; V1048-R1050 PolarHBondContact O-N 3.01Å; R1050-A1052 PolarHBondContact O-N 2.79Å; R1050-A1052 VanDerWaalsContact O-N 3.16Å; R1050-D1053 PolarHBondContact O-N 2.98Å; R1050-D1053 VanDerWaalsContact O-N 3.08Å; R1050-I1054 PolarHBondContact O-N 2.93Å | ||
| 1051 | L | 67.6 | Low | 69.8 | Low | 149 Ų | 149 | 112.8 Ų | 112.8 | 78% | 0.78 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -56.9 | -30.4 | 177.5 | -106 | 76.8 | 0 | 0 | 0 | 113.2 | I1054 K1055 | L1051-I1054 PolarHBondContact O-N 3.31Å; L1051-K1055 PolarHBondContact O-N 3.45Å |
| 1052 | A | 66.2 | Low | 70.8 | Confident | 61 Ų | 61 | 113 Ų | 113 | 50% | 0.504 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -46 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1050 I1054 K1055 D1056 | R1050-A1052 PolarHBondContact O-N 2.79Å; R1050-A1052 VanDerWaalsContact O-N 3.16Å; A1052-I1054 VanDerWaalsContact C-N 3.27Å; A1052-I1054 PolarHBondContact O-N 3.03Å; A1052-K1055 WeakPolarHBondContact O-CB 3.48Å; A1052-K1055 PolarHBondContact O-N 3.36Å; A1052-K1055 VanDerWaalsContact O-N 3.11Å; A1052-D1056 PolarHBondContact O-N 3.47Å |
| 1053 | D | 74.4 | Confident | 71.9 | Confident | 98 Ų | 98 | 108.7 Ų | 108.7 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -35.5 | 178.3 | -58.2 | -21.1 | 0 | 0 | 0 | 111.1 | R1050 W1057 | R1050-D1053 PolarHBondContact O-N 2.98Å; R1050-D1053 VanDerWaalsContact O-N 3.08Å; D1053-W1057 WeakPolarHBondContact O-CB 3.14Å; D1053-W1057 PolarHBondContact O-N 3.31Å |
| 1054 | I | 76.4 | Confident | 72.8 | Confident | 65 Ų | 65 | 104.6 Ų | 104.6 | 33% | 0.333 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | 173.7 | -62.6 | 172.5 | 0 | 0 | 0 | 110.4 | I1049 R1050 L1051 A1052 D1056 W1057 I1058 | I1049-I1054 HydrophobicContact CB-CD1 4.37Å; I1049-I1054 HydrophobicContact CG2-CD1 3.55Å; I1049-I1054 HydrophobicContact CG2-CG1 3.39Å; R1050-I1054 PolarHBondContact O-N 2.93Å; L1051-I1054 PolarHBondContact O-N 3.31Å; A1052-I1054 VanDerWaalsContact C-N 3.27Å; A1052-I1054 PolarHBondContact O-N 3.03Å; I1054-D1056 VanDerWaalsContact C-N 3.34Å; I1054-D1056 PolarHBondContact O-N 3.45Å; I1054-W1057 PolarHBondContact O-N 2.99Å; I1054-I1058 HydrophobicContact CG2-CD1 3.54Å; I1054-I1058 HydrophobicContact CG2-CG1 4.08Å; I1054-I1058 WeakPolarHBondContact O-CB 3.38Å; I1054-I1058 WeakPolarHBondContact O-CG1 3.24Å; I1054-I1058 PolarHBondContact O-N 2.99Å |
| 1055 | K | 74.8 | Confident | 74.1 | Confident | 130 Ų | 130 | 97.5 Ų | 97.5 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.8 | -46.9 | 179.2 | -179.3 | -177.6 | 174.4 | -168.7 | 0 | 110.8 | L1051 A1052 I1058 H1059 | L1051-K1055 PolarHBondContact O-N 3.45Å; A1052-K1055 WeakPolarHBondContact O-CB 3.48Å; A1052-K1055 PolarHBondContact O-N 3.36Å; A1052-K1055 VanDerWaalsContact O-N 3.11Å; K1055-I1058 PolarHBondContact O-N 3.5Å; K1055-H1059 PolarHBondContact O-CD2 3.3Å; K1055-H1059 PolarHBondContact O-N 2.94Å |
| 1056 | D | 79.8 | Confident | 76 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.7 | -38.5 | 179.9 | -68.4 | -16.4 | 0 | 0 | 0 | 111.4 | A1052 I1054 H1059 A1060 | A1052-D1056 PolarHBondContact O-N 3.47Å; I1054-D1056 VanDerWaalsContact C-N 3.34Å; I1054-D1056 PolarHBondContact O-N 3.45Å; D1056-H1059 PolarHBondContact O-N 2.97Å; D1056-A1060 WeakPolarHBondContact O-CB 3.37Å; D1056-A1060 PolarHBondContact O-N 3.35Å |
| 1057 | W | 84.8 | Confident | 77.9 | Confident | 148 Ų | 148 | 98 Ų | 98 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -40.5 | 174.7 | -174.1 | 89.8 | 0 | 0 | 0 | 112.7 | D1053 I1054 A1060 N1061 V1065 | D1053-W1057 WeakPolarHBondContact O-CB 3.14Å; D1053-W1057 PolarHBondContact O-N 3.31Å; I1054-W1057 PolarHBondContact O-N 2.99Å; W1057-A1060 PolarHBondContact O-N 3.47Å; W1057-N1061 VanDerWaalsContact CE2-ND2 3.29Å; W1057-N1061 PolarHBondContact NE1-ND2 2.97Å; W1057-N1061 VanDerWaalsContact NE1-ND2 3.17Å; W1057-N1061 WeakPolarHBondContact O-CB 3.35Å; W1057-N1061 PolarHBondContact O-N 3.47Å; W1057-N1061 PolarHBondContact O-ND2 3.15Å; W1057-N1061 VanDerWaalsContact O-ND2 3.13Å; W1057-V1065 HydrophobicContact CZ3-CG2 4.12Å |
| 1058 | I | 83.3 | Confident | 79.4 | Confident | 66 Ų | 66 | 95.9 Ų | 95.9 | 34% | 0.338 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 174.4 | -72.4 | 172.1 | 0 | 0 | 0 | 110.1 | I1054 K1055 N1061 F1062 V1065 | I1054-I1058 HydrophobicContact CG2-CD1 3.54Å; I1054-I1058 HydrophobicContact CG2-CG1 4.08Å; I1054-I1058 WeakPolarHBondContact O-CB 3.38Å; I1054-I1058 WeakPolarHBondContact O-CG1 3.24Å; I1054-I1058 PolarHBondContact O-N 2.99Å; K1055-I1058 PolarHBondContact O-N 3.5Å; I1058-N1061 CarbonylContact O-C 3.56Å; I1058-N1061 PolarHBondContact O-N 3.28Å; I1058-F1062 VanDerWaalsContact O-CA 3.23Å; I1058-F1062 WeakPolarHBondContact O-CA 3.41Å; I1058-F1062 PolarHBondContact O-N 3.22Å; I1058-V1065 HydrophobicContact CG1-CG2 4.39Å; I1058-V1065 HydrophobicContact CG2-CG2 4.46Å |
| 1059 | H | 79.3 | Confident | 81.2 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 176.1 | -83.8 | -64.9 | 0 | 0 | 0 | 112.1 | K1055 D1056 N1061 | K1055-H1059 PolarHBondContact O-CD2 3.3Å; K1055-H1059 PolarHBondContact O-N 2.94Å; D1056-H1059 PolarHBondContact O-N 2.97Å; H1059-N1061 VanDerWaalsContact C-N 3.32Å; H1059-N1061 PolarHBondContact O-N 2.98Å |
| 1060 | A | 81.8 | Confident | 82.9 | Confident | 80 Ų | 80 | 95.6 Ų | 95.6 | 66% | 0.661 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.3 | -31.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | D1056 W1057 | D1056-A1060 WeakPolarHBondContact O-CB 3.37Å; D1056-A1060 PolarHBondContact O-N 3.35Å; W1057-A1060 PolarHBondContact O-N 3.47Å |
| 1061 | N | 87.4 | Confident | 84.1 | Confident | 45 Ų | 45 | 93.7 Ų | 93.7 | 24% | 0.241 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 27.6 | -176.4 | -63.9 | -63.1 | 0 | 0 | 0 | 113.4 | W1057 I1058 H1059 V1063 I1064 V1065 | W1057-N1061 VanDerWaalsContact CE2-ND2 3.29Å; W1057-N1061 PolarHBondContact NE1-ND2 2.97Å; W1057-N1061 VanDerWaalsContact NE1-ND2 3.17Å; W1057-N1061 WeakPolarHBondContact O-CB 3.35Å; W1057-N1061 PolarHBondContact O-N 3.47Å; W1057-N1061 PolarHBondContact O-ND2 3.15Å; W1057-N1061 VanDerWaalsContact O-ND2 3.13Å; I1058-N1061 CarbonylContact O-C 3.56Å; I1058-N1061 PolarHBondContact O-N 3.28Å; H1059-N1061 VanDerWaalsContact C-N 3.32Å; H1059-N1061 PolarHBondContact O-N 2.98Å; N1061-V1063 PolarHBondContact O-N 3.49Å; N1061-V1063 VanDerWaalsContact O-N 3.09Å; N1061-I1064 HydrophobicContact CB-CB 4.39Å; N1061-I1064 HydrophobicContact CB-CD1 4.28Å; N1061-I1064 WeakPolarHBondContact O-CB 3.42Å; N1061-I1064 PolarHBondContact O-N 2.89Å; N1061-V1065 PolarHBondContact O-N 3.48Å |
| 1062 | F | 88.3 | Confident | 85.4 | Confident | 126 Ų | 126 | 89.3 Ų | 89.3 | 55% | 0.553 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -51.7 | -40.6 | -173.4 | 177.1 | -99 | 0 | 0 | 0 | 113.1 | I1058 I1064 V1065 F1066 | I1058-F1062 VanDerWaalsContact O-CA 3.23Å; I1058-F1062 WeakPolarHBondContact O-CA 3.41Å; I1058-F1062 PolarHBondContact O-N 3.22Å; F1062-I1064 PolarHBondContact O-N 3.22Å; F1062-V1065 PolarHBondContact O-N 3.34Å; F1062-F1066 VanDerWaalsContact O-CB 3.23Å; F1062-F1066 WeakPolarHBondContact O-CB 3.12Å; F1062-F1066 PolarHBondContact O-N 2.81Å |
| 1063 | V | 88.4 | Confident | 86.7 | Confident | 108 Ų | 108 | 89.7 Ų | 89.7 | 66% | 0.655 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.4 | -41.9 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | N1061 F1066 V1067 | N1061-V1063 PolarHBondContact O-N 3.49Å; N1061-V1063 VanDerWaalsContact O-N 3.09Å; V1063-F1066 PolarHBondContact O-N 3.44Å; V1063-V1067 VanDerWaalsContact O-CG2 3.26Å; V1063-V1067 WeakPolarHBondContact O-CG2 3.35Å; V1063-V1067 PolarHBondContact O-N 3.37Å |
| 1064 | I | 89.1 | Confident | 87.6 | Confident | 67 Ų | 67 | 89 Ų | 89 | 34% | 0.344 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 179.3 | -60.6 | 174.5 | 0 | 0 | 0 | 109.9 | N1061 F1062 F1066 V1067 L1068 | N1061-I1064 HydrophobicContact CB-CB 4.39Å; N1061-I1064 HydrophobicContact CB-CD1 4.28Å; N1061-I1064 WeakPolarHBondContact O-CB 3.42Å; N1061-I1064 PolarHBondContact O-N 2.89Å; F1062-I1064 PolarHBondContact O-N 3.22Å; I1064-F1066 VanDerWaalsContact C-N 3.29Å; I1064-F1066 PolarHBondContact O-N 2.66Å; I1064-V1067 PolarHBondContact O-N 3.15Å; I1064-L1068 HydrophobicContact CG2-CD1 4.12Å; I1064-L1068 WeakPolarHBondContact O-CB 3.33Å; I1064-L1068 WeakPolarHBondContact O-CG 3.46Å; I1064-L1068 PolarHBondContact O-N 3.05Å |
| 1065 | V | 91.3 | Very high | 88.4 | Confident | 34 Ų | 34 | 88.7 Ų | 88.7 | 21% | 0.206 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61.2 | -40 | 177.4 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | W1057 I1058 N1061 F1062 L1068 L1069 | W1057-V1065 HydrophobicContact CZ3-CG2 4.12Å; I1058-V1065 HydrophobicContact CG1-CG2 4.39Å; I1058-V1065 HydrophobicContact CG2-CG2 4.46Å; N1061-V1065 PolarHBondContact O-N 3.48Å; F1062-V1065 PolarHBondContact O-N 3.34Å; V1065-L1068 PolarHBondContact O-N 2.78Å; V1065-L1069 HydrophobicContact CG1-CD1 4.28Å; V1065-L1069 WeakPolarHBondContact O-CB 3.39Å; V1065-L1069 PolarHBondContact O-N 3.11Å |
| 1066 | F | 91.7 | Very high | 89.2 | Confident | 112 Ų | 112 | 88.9 Ų | 88.9 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 177.5 | -173 | -106.5 | 0 | 0 | 0 | 112.4 | F1062 V1063 I1064 L1068 L1069 I1070 | F1062-F1066 VanDerWaalsContact O-CB 3.23Å; F1062-F1066 WeakPolarHBondContact O-CB 3.12Å; F1062-F1066 PolarHBondContact O-N 2.81Å; V1063-F1066 PolarHBondContact O-N 3.44Å; I1064-F1066 VanDerWaalsContact C-N 3.29Å; I1064-F1066 PolarHBondContact O-N 2.66Å; F1066-L1068 VanDerWaalsContact C-N 3.34Å; F1066-L1068 PolarHBondContact O-N 3.05Å; F1066-L1069 PolarHBondContact O-N 3.06Å; F1066-I1070 HydrophobicContact CD1-CD1 3.71Å; F1066-I1070 HydrophobicContact CE1-CD1 3.32Å; F1066-I1070 HydrophobicContact CE1-CG1 4.34Å; F1066-I1070 HydrophobicContact CG-CD1 4.48Å; F1066-I1070 HydrophobicContact CZ-CD1 3.8Å; F1066-I1070 HydrophobicContact CZ-CG1 4.47Å; F1066-I1070 WeakPolarHBondContact O-CG1 3.27Å; F1066-I1070 PolarHBondContact O-N 2.99Å |
| 1067 | V | 91.9 | Very high | 89.7 | Confident | 71 Ų | 71 | 90.2 Ų | 90.2 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | V1063 I1064 I1070 N1071 | V1063-V1067 VanDerWaalsContact O-CG2 3.26Å; V1063-V1067 WeakPolarHBondContact O-CG2 3.35Å; V1063-V1067 PolarHBondContact O-N 3.37Å; I1064-V1067 PolarHBondContact O-N 3.15Å; V1067-I1070 PolarHBondContact O-N 3.35Å; V1067-N1071 WeakPolarHBondContact O-CB 3.27Å; V1067-N1071 VanDerWaalsContact O-CG 3.31Å; V1067-N1071 PolarHBondContact O-N 3.25Å |
| 1068 | L | 92.7 | Very high | 89.8 | Confident | 106 Ų | 106 | 89.3 Ų | 89.3 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 175.7 | -73.6 | 173.4 | 0 | 0 | 0 | 112.3 | I1064 V1065 F1066 N1071 A1072 | I1064-L1068 HydrophobicContact CG2-CD1 4.12Å; I1064-L1068 WeakPolarHBondContact O-CB 3.33Å; I1064-L1068 WeakPolarHBondContact O-CG 3.46Å; I1064-L1068 PolarHBondContact O-N 3.05Å; V1065-L1068 PolarHBondContact O-N 2.78Å; F1066-L1068 VanDerWaalsContact C-N 3.34Å; F1066-L1068 PolarHBondContact O-N 3.05Å; L1068-N1071 PolarHBondContact O-N 3.4Å; L1068-A1072 VanDerWaalsContact O-CB 3.28Å; L1068-A1072 WeakPolarHBondContact O-CB 3.04Å; L1068-A1072 PolarHBondContact O-N 2.88Å |
| 1069 | L | 94 | Very high | 90 | Very high | 112 Ų | 112 | 92.1 Ų | 92.1 | 59% | 0.586 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 175.1 | -95.6 | 164.9 | 0 | 0 | 0 | 112.2 | V1065 F1066 A1072 S1073 | V1065-L1069 HydrophobicContact CG1-CD1 4.28Å; V1065-L1069 WeakPolarHBondContact O-CB 3.39Å; V1065-L1069 PolarHBondContact O-N 3.11Å; F1066-L1069 PolarHBondContact O-N 3.06Å; L1069-A1072 PolarHBondContact O-N 2.68Å; L1069-S1073 WeakPolarHBondContact O-CB 3.42Å; L1069-S1073 PolarHBondContact O-N 3.23Å; L1069-S1073 PolarHBondContact O-OG 3.26Å |
| 1070 | I | 93.9 | Very high | 90.1 | Very high | 68 Ų | 68 | 88.8 Ų | 88.8 | 35% | 0.349 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 174 | -71.2 | 169.2 | 0 | 0 | 0 | 109.8 | F1066 V1067 A1072 S1073 L1074 | F1066-I1070 HydrophobicContact CD1-CD1 3.71Å; F1066-I1070 HydrophobicContact CE1-CD1 3.32Å; F1066-I1070 HydrophobicContact CE1-CG1 4.34Å; F1066-I1070 HydrophobicContact CG-CD1 4.48Å; F1066-I1070 HydrophobicContact CZ-CD1 3.8Å; F1066-I1070 HydrophobicContact CZ-CG1 4.47Å; F1066-I1070 WeakPolarHBondContact O-CG1 3.27Å; F1066-I1070 PolarHBondContact O-N 2.99Å; V1067-I1070 PolarHBondContact O-N 3.35Å; I1070-A1072 VanDerWaalsContact C-N 3.33Å; I1070-A1072 PolarHBondContact O-N 2.87Å; I1070-S1073 WeakPolarHBondContact CA-OG 3.25Å; I1070-S1073 PolarHBondContact O-N 3.1Å; I1070-S1073 VanDerWaalsContact O-N 3.15Å; I1070-S1073 PolarHBondContact O-OG 2.77Å; I1070-L1074 HydrophobicContact CG2-CD1 3.85Å; I1070-L1074 HydrophobicContact CG2-CG 4.43Å; I1070-L1074 WeakPolarHBondContact O-CG 3.38Å; I1070-L1074 PolarHBondContact O-N 3.42Å |
| 1071 | N | 89.8 | Confident | 90.1 | Very high | 89 Ų | 89 | 89.5 Ų | 89.5 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 179.9 | -72.6 | -9.6 | 0 | 0 | 0 | 112.2 | V1067 L1068 L1074 A1075 | V1067-N1071 WeakPolarHBondContact O-CB 3.27Å; V1067-N1071 VanDerWaalsContact O-CG 3.31Å; V1067-N1071 PolarHBondContact O-N 3.25Å; L1068-N1071 PolarHBondContact O-N 3.4Å; N1071-L1074 PolarHBondContact O-N 3.14Å; N1071-A1075 WeakPolarHBondContact O-CB 3.41Å; N1071-A1075 PolarHBondContact O-N 3.04Å |
| 1072 | A | 94.2 | Very high | 89.6 | Confident | 57 Ų | 57 | 93.9 Ų | 93.9 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1068 L1069 I1070 A1075 F1076 | L1068-A1072 VanDerWaalsContact O-CB 3.28Å; L1068-A1072 WeakPolarHBondContact O-CB 3.04Å; L1068-A1072 PolarHBondContact O-N 2.88Å; L1069-A1072 PolarHBondContact O-N 2.68Å; I1070-A1072 VanDerWaalsContact C-N 3.33Å; I1070-A1072 PolarHBondContact O-N 2.87Å; A1072-A1075 PolarHBondContact O-N 3.45Å; A1072-F1076 WeakPolarHBondContact O-CB 3.41Å; A1072-F1076 PolarHBondContact O-N 3.12Å |
| 1073 | S | 94.4 | Very high | 88.9 | Confident | 69 Ų | 69 | 90.4 Ų | 90.4 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 176.7 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | L1069 I1070 F1076 F1077 | L1069-S1073 WeakPolarHBondContact O-CB 3.42Å; L1069-S1073 PolarHBondContact O-N 3.23Å; L1069-S1073 PolarHBondContact O-OG 3.26Å; I1070-S1073 WeakPolarHBondContact CA-OG 3.25Å; I1070-S1073 PolarHBondContact O-N 3.1Å; I1070-S1073 VanDerWaalsContact O-N 3.15Å; I1070-S1073 PolarHBondContact O-OG 2.77Å; S1073-F1076 PolarHBondContact O-N 3.36Å; S1073-F1077 WeakPolarHBondContact O-CB 3.31Å; S1073-F1077 PolarHBondContact O-N 3.4Å |
| 1074 | L | 92.9 | Very high | 87.4 | Confident | 82 Ų | 82 | 91.6 Ų | 91.6 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -44.1 | 174 | -71.1 | 167.8 | 0 | 0 | 0 | 110.7 | I1070 N1071 F1076 F1077 F1078 | I1070-L1074 HydrophobicContact CG2-CD1 3.85Å; I1070-L1074 HydrophobicContact CG2-CG 4.43Å; I1070-L1074 WeakPolarHBondContact O-CG 3.38Å; I1070-L1074 PolarHBondContact O-N 3.42Å; N1071-L1074 PolarHBondContact O-N 3.14Å; L1074-F1076 VanDerWaalsContact C-N 3.32Å; L1074-F1076 PolarHBondContact O-N 2.87Å; L1074-F1077 WeakPolarHBondContact O-CB 3.41Å; L1074-F1077 PolarHBondContact O-N 3.4Å; L1074-F1077 VanDerWaalsContact O-N 3.15Å; L1074-F1078 WeakPolarHBondContact O-CD2 3.49Å; L1074-F1078 PolarHBondContact O-N 2.87Å |
| 1075 | A | 92.1 | Very high | 85.6 | Confident | 59 Ų | 59 | 95.2 Ų | 95.2 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1071 A1072 F1078 F1079 | N1071-A1075 WeakPolarHBondContact O-CB 3.41Å; N1071-A1075 PolarHBondContact O-N 3.04Å; A1072-A1075 PolarHBondContact O-N 3.45Å; A1075-F1078 PolarHBondContact O-N 2.96Å; A1075-F1079 WeakPolarHBondContact O-CB 3.37Å; A1075-F1079 PolarHBondContact O-N 3.08Å |
| 1076 | F | 91.9 | Very high | 83.6 | Confident | 135 Ų | 135 | 97.8 Ų | 97.8 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66 | -38 | 175.1 | -169.2 | -100.5 | 0 | 0 | 0 | 112.2 | A1072 S1073 L1074 F1079 N1080 | A1072-F1076 WeakPolarHBondContact O-CB 3.41Å; A1072-F1076 PolarHBondContact O-N 3.12Å; S1073-F1076 PolarHBondContact O-N 3.36Å; L1074-F1076 VanDerWaalsContact C-N 3.32Å; L1074-F1076 PolarHBondContact O-N 2.87Å; F1076-F1079 PolarHBondContact O-N 3.23Å; F1076-N1080 VanDerWaalsContact CD1-ND2 3.31Å; F1076-N1080 WeakPolarHBondContact CD1-ND2 3.21Å; F1076-N1080 WeakPolarHBondContact CE1-ND2 3.43Å; F1076-N1080 PolarHBondContact O-N 3.31Å; F1076-N1080 PolarHBondContact O-ND2 2.94Å |
| 1077 | F | 90.1 | Very high | 81.4 | Confident | 132 Ų | 132 | 99.4 Ų | 99.4 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 174.3 | -171.3 | -97.7 | 0 | 0 | 0 | 111.9 | S1073 L1074 F1079 N1080 L1081 | S1073-F1077 WeakPolarHBondContact O-CB 3.31Å; S1073-F1077 PolarHBondContact O-N 3.4Å; L1074-F1077 WeakPolarHBondContact O-CB 3.41Å; L1074-F1077 PolarHBondContact O-N 3.4Å; L1074-F1077 VanDerWaalsContact O-N 3.15Å; F1077-F1079 VanDerWaalsContact C-N 3.35Å; F1077-N1080 PolarHBondContact O-N 3.18Å; F1077-L1081 HydrophobicContact CD1-CD1 3.75Å; F1077-L1081 HydrophobicContact CE1-CD1 3.4Å; F1077-L1081 HydrophobicContact CE1-CG 4.42Å; F1077-L1081 HydrophobicContact CZ-CD1 4.16Å; F1077-L1081 PolarHBondContact O-N 3.15Å; F1077-L1081 VanDerWaalsContact O-N 3.08Å |
| 1078 | F | 87.7 | Confident | 79 | Confident | 129 Ų | 129 | 105.2 Ų | 105.2 | 57% | 0.566 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.6 | -38.7 | 174.2 | -79.6 | -66.2 | 0 | 0 | 0 | 112.4 | L1074 A1075 L1081 L1082 | L1074-F1078 WeakPolarHBondContact O-CD2 3.49Å; L1074-F1078 PolarHBondContact O-N 2.87Å; A1075-F1078 PolarHBondContact O-N 2.96Å; F1078-L1081 WeakPolarHBondContact O-CB 3.46Å; F1078-L1081 PolarHBondContact O-N 3.42Å; F1078-L1082 WeakPolarHBondContact O-CD1 3.24Å; F1078-L1082 WeakPolarHBondContact O-CG 3.5Å; F1078-L1082 PolarHBondContact O-N 3.46Å |
| 1079 | F | 87.5 | Confident | 76.4 | Confident | 125 Ų | 125 | 105.3 Ų | 105.3 | 55% | 0.548 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.9 | -46.5 | 176.8 | -175.5 | -97.1 | 0 | 0 | 0 | 111.7 | A1075 F1076 F1077 L1081 L1082 T1083 | A1075-F1079 WeakPolarHBondContact O-CB 3.37Å; A1075-F1079 PolarHBondContact O-N 3.08Å; F1076-F1079 PolarHBondContact O-N 3.23Å; F1077-F1079 VanDerWaalsContact C-N 3.35Å; F1079-L1081 VanDerWaalsContact C-N 3.34Å; F1079-L1081 PolarHBondContact O-N 3.45Å; F1079-L1082 PolarHBondContact O-N 3.16Å; F1079-L1082 VanDerWaalsContact O-N 3.12Å; F1079-T1083 HydrophobicContact CD1-CG2 4.23Å; F1079-T1083 HydrophobicContact CE1-CG2 3.75Å; F1079-T1083 HydrophobicContact CE2-CG2 4.24Å; F1079-T1083 HydrophobicContact CZ-CG2 3.76Å; F1079-T1083 PolarHBondContact O-N 3Å; F1079-T1083 PolarHBondContact O-OG1 2.89Å; F1079-T1083 VanDerWaalsContact O-OG1 3.1Å |
| 1080 | N | 81 | Confident | 73.5 | Confident | 59 Ų | 59 | 107.7 Ų | 107.7 | 32% | 0.316 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.2 | -39.1 | 177.3 | -68 | -36.1 | 0 | 0 | 0 | 112.3 | F1076 F1077 L1082 T1083 D1084 | F1076-N1080 VanDerWaalsContact CD1-ND2 3.31Å; F1076-N1080 WeakPolarHBondContact CD1-ND2 3.21Å; F1076-N1080 WeakPolarHBondContact CE1-ND2 3.43Å; F1076-N1080 PolarHBondContact O-N 3.31Å; F1076-N1080 PolarHBondContact O-ND2 2.94Å; F1077-N1080 PolarHBondContact O-N 3.18Å; N1080-L1082 PolarHBondContact O-N 2.91Å; N1080-T1083 WeakPolarHBondContact CA-OG1 3.49Å; N1080-T1083 PolarHBondContact O-N 3.42Å; N1080-T1083 PolarHBondContact O-OG1 3.15Å; N1080-D1084 WeakPolarHBondContact O-CB 3.43Å; N1080-D1084 PolarHBondContact O-N 2.88Å |
| 1081 | L | 82 | Confident | 70.8 | Confident | 94 Ų | 94 | 110.3 Ų | 110.3 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.1 | -34.2 | 173.3 | -97.6 | 162.8 | 0 | 0 | 0 | 112.9 | F1077 F1078 F1079 | F1077-L1081 HydrophobicContact CD1-CD1 3.75Å; F1077-L1081 HydrophobicContact CE1-CD1 3.4Å; F1077-L1081 HydrophobicContact CE1-CG 4.42Å; F1077-L1081 HydrophobicContact CZ-CD1 4.16Å; F1077-L1081 PolarHBondContact O-N 3.15Å; F1077-L1081 VanDerWaalsContact O-N 3.08Å; F1078-L1081 WeakPolarHBondContact O-CB 3.46Å; F1078-L1081 PolarHBondContact O-N 3.42Å; F1079-L1081 VanDerWaalsContact C-N 3.34Å; F1079-L1081 PolarHBondContact O-N 3.45Å |
| 1082 | L | 76.9 | Confident | 67.9 | Low | 137 Ų | 137 | 111.1 Ų | 111.1 | 72% | 0.717 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -78.8 | -35 | 178.2 | -78.4 | 157.1 | 0 | 0 | 0 | 112.3 | F1078 F1079 N1080 | F1078-L1082 WeakPolarHBondContact O-CD1 3.24Å; F1078-L1082 WeakPolarHBondContact O-CG 3.5Å; F1078-L1082 PolarHBondContact O-N 3.46Å; F1079-L1082 PolarHBondContact O-N 3.16Å; F1079-L1082 VanDerWaalsContact O-N 3.12Å; N1080-L1082 PolarHBondContact O-N 2.91Å |
| 1083 | T | 74.2 | Confident | 64.8 | Low | 53 Ų | 53 | 113.1 Ų | 113.1 | 33% | 0.325 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -80.9 | -33 | -177.4 | 48.2 | 0 | 0 | 0 | 0 | 113.9 | F1079 N1080 N1085 S1086 | F1079-T1083 HydrophobicContact CD1-CG2 4.23Å; F1079-T1083 HydrophobicContact CE1-CG2 3.75Å; F1079-T1083 HydrophobicContact CE2-CG2 4.24Å; F1079-T1083 HydrophobicContact CZ-CG2 3.76Å; F1079-T1083 PolarHBondContact O-N 3Å; F1079-T1083 PolarHBondContact O-OG1 2.89Å; F1079-T1083 VanDerWaalsContact O-OG1 3.1Å; N1080-T1083 WeakPolarHBondContact CA-OG1 3.49Å; N1080-T1083 PolarHBondContact O-N 3.42Å; N1080-T1083 PolarHBondContact O-OG1 3.15Å; T1083-N1085 PolarHBondContact O-N 3.39Å; T1083-N1085 VanDerWaalsContact O-N 3.12Å; T1083-S1086 PolarHBondContact O-N 3.42Å; T1083-S1086 PolarHBondContact O-OG 2.94Å |
| 1084 | D | 56.1 | Low | 61.7 | Low | 133 Ų | 133 | 119.1 Ų | 119.1 | 71% | 0.711 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -67 | -14.2 | -176.2 | -82 | -13.2 | 0 | 0 | 0 | 113.7 | N1080 | N1080-D1084 WeakPolarHBondContact O-CB 3.43Å; N1080-D1084 PolarHBondContact O-N 2.88Å |
| 1085 | N | 52.3 | Low | 58.6 | Low | 143 Ų | 143 | 120.9 Ų | 120.9 | 77% | 0.765 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -88.5 | 2.2 | 178.2 | -74.6 | -13.9 | 0 | 0 | 0 | 114.8 | T1083 | T1083-N1085 PolarHBondContact O-N 3.39Å; T1083-N1085 VanDerWaalsContact O-N 3.12Å |
| 1086 | S | 48.7 | Very low | 55.4 | Low | 89 Ų | 89 | 125.6 Ų | 125.6 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -90.5 | -2.6 | -175.1 | 60.1 | 0 | 0 | 0 | 0 | 115.9 | T1083 | T1083-S1086 PolarHBondContact O-N 3.42Å; T1083-S1086 PolarHBondContact O-OG 2.94Å |
| 1087 | N | 44.8 | Very low | 52.3 | Low | 145 Ų | 145 | 127 Ų | 127 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | trans | -118.2 | 34.8 | -172.4 | -75.2 | -17.8 | 0 | 0 | 0 | 115.7 | ||||
| 1088 | Q | 41.9 | Very low | 49.3 | Very low | 193 Ų | 193 | 127.9 Ų | 127.9 | 90% | 0.902 | 70% | 0.699 | S | S | * | * | trans | -107.9 | 82.5 | 165.2 | -82.8 | -175.3 | -9.3 | 0 | 0 | 111.2 | ||||
| 1089 | S | 38.9 | Very low | 46.3 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | -67.1 | 125 | 161 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1090 | N | 31.4 | Very low | 43.3 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 87% | 0.866 | 72% | 0.722 | S | S | * | * | trans | -14.2 | 130.4 | 166.3 | -68.8 | -28.1 | 0 | 0 | 0 | 116.5 | ||||
| 1091 | P | 37.1 | Very low | 40.7 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | -131.5 | 139.1 | 129.8 | 26.6 | -9.5 | 0 | 0 | 0 | 113.6 | |||||
| 1092 | S | 28.8 | Very low | 38.2 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -38.6 | 138.1 | 171.2 | 50.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1093 | S | 29.2 | Very low | 35.9 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 25.8 | 114.6 | 139.1 | 68.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1094 | K | 30.2 | Very low | 34.1 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | 171.8 | 128.8 | 105.6 | -92.1 | 172.8 | -178.3 | 179.2 | 0 | 110.1 | |||||
| 1095 | T | 26.8 | Very low | 33.3 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | -15.1 | 123.2 | 153.5 | 51.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1096 | N | 26.6 | Very low | 32.7 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | -175.7 | 121.2 | 110.3 | -89.4 | -25.9 | 0 | 0 | 0 | 110.4 | |||||
| 1097 | L | 25.3 | Very low | 32.3 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -60.7 | 127.2 | 162.1 | -77.1 | 132.4 | 0 | 0 | 0 | 108.6 | ||||
| 1098 | N | 27.7 | Very low | 32.2 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -173 | 105.3 | 131.9 | -90.7 | -17.8 | 0 | 0 | 0 | 110.3 | ||||
| 1099 | T | 25.5 | Very low | 32.9 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | 15.5 | 123.1 | 135.4 | 56.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1100 | G | 24.9 | Very low | 33.9 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | 149.9 | 83.6 | 148.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1101 | R | 26 | Very low | 35 | Very low | 252 Ų | 252 | 130 Ų | 130 | 95% | 0.951 | 74% | 0.744 | S | S | * | * | trans | 82 | 136.1 | 131.5 | -139.9 | 174.4 | -168.3 | 179.5 | 2.6 | 119.6 | ||||
| 1102 | S | 28.2 | Very low | 35.9 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | trans | 88.4 | 74.8 | 156.8 | -159.7 | 0 | 0 | 0 | 0 | 118.2 | S1104 | S1102-S1104 PolarHBondContact O-N 2.69Š| ||
| 1103 | M | 30.3 | Very low | 37.7 | Very low | 184 Ų | 184 | 130.4 Ų | 130.4 | 91% | 0.906 | 72% | 0.723 | S | S | * | * | trans | -77.1 | 107.1 | 159.2 | -77.7 | -81.2 | 120.8 | 0 | 0 | 109.7 | ||||
| 1104 | S | 35.4 | Very low | 39.5 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | trans | -72.3 | 131.1 | 163 | 46.3 | 0 | 0 | 0 | 0 | 109.9 | S1102 D1106 | S1102-S1104 PolarHBondContact O-N 2.69Å; S1104-D1106 PolarHBondContact O-N 3.34Å | ||
| 1105 | N | 39.4 | Very low | 41.4 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | trans | -66 | 105.5 | -179.8 | -73.9 | -39.4 | 0 | 0 | 0 | 112 | I1107 | N1105-I1107 PolarHBondContact O-N 3.37Å; N1105-I1107 VanDerWaalsContact O-N 3.11Å | ||
| 1106 | D | 39.1 | Very low | 43.6 | Very low | 158 Ų | 158 | 126.2 Ų | 126.2 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | trans | -75.4 | 97.4 | 168.9 | -83.7 | -35 | 0 | 0 | 0 | 111.2 | S1104 N1108 | S1104-D1106 PolarHBondContact O-N 3.34Å; D1106-N1108 PolarHBondContact O-N 2.95Å; D1106-N1108 VanDerWaalsContact O-N 3.13Å | ||
| 1107 | I | 41.8 | Very low | 45.8 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 57% | 0.574 | 68% | 0.676 | S | S | * | * | trans | -80.7 | 76.9 | 175.4 | -56.7 | 167.2 | 0 | 0 | 0 | 108.3 | N1105 | N1105-I1107 PolarHBondContact O-N 3.37Å; N1105-I1107 VanDerWaalsContact O-N 3.11Å | ||
| 1108 | N | 42.5 | Very low | 48.1 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | trans | -156.4 | 29 | 168.2 | -93.5 | -36.2 | 0 | 0 | 0 | 115.6 | D1106 | D1106-N1108 PolarHBondContact O-N 2.95Å; D1106-N1108 VanDerWaalsContact O-N 3.13Å | ||
| 1109 | S | 55.4 | Low | 50.5 | Low | 64 Ų | 64 | 116.6 Ų | 116.6 | 45% | 0.448 | 65% | 0.645 | S | S | . | * | trans | -69 | 134.1 | 169.3 | 166 | 0 | 0 | 0 | 0 | 111.4 | A1111 M1112 K1113 | S1109-A1111 PolarHBondContact O-N 3.1Å; S1109-A1111 VanDerWaalsContact O-N 3.14Å; S1109-A1111 WeakPolarHBondContact OG-CB 3.47Å; S1109-A1111 PolarHBondContact OG-N 2.98Å; S1109-M1112 WeakPolarHBondContact O-CB 3.49Å; S1109-M1112 PolarHBondContact O-N 2.96Å; S1109-K1113 PolarHBondContact O-N 3.14Å | ||
| 1110 | P | 59.8 | Low | 53.2 | Low | 100 Ų | 100 | 117.6 Ų | 117.6 | 65% | 0.649 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -56.6 | -28.1 | 175.2 | 21.2 | -31.1 | 0 | 0 | 0 | 112.5 | M1112 K1113 T1114 | P1110-M1112 VanDerWaalsContact C-N 3.33Å; P1110-M1112 PolarHBondContact O-N 3.25Å; P1110-K1113 PolarHBondContact O-N 3.41Å; P1110-T1114 PolarHBondContact O-N 3.21Å; P1110-T1114 VanDerWaalsContact O-N 3.13Å; P1110-T1114 PolarHBondContact O-OG1 3.13Å; P1110-T1114 VanDerWaalsContact O-OG1 3.1Å |
| 1111 | A | 54.2 | Low | 55.9 | Low | 53 Ų | 53 | 121.8 Ų | 121.8 | 44% | 0.438 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.8 | -38.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1109 K1113 T1114 I1115 | S1109-A1111 PolarHBondContact O-N 3.1Å; S1109-A1111 VanDerWaalsContact O-N 3.14Å; S1109-A1111 WeakPolarHBondContact OG-CB 3.47Å; S1109-A1111 PolarHBondContact OG-N 2.98Å; A1111-K1113 VanDerWaalsContact C-N 3.35Å; A1111-K1113 PolarHBondContact O-N 3.5Å; A1111-T1114 PolarHBondContact O-N 2.95Å; A1111-I1115 WeakPolarHBondContact O-CD1 3.47Å; A1111-I1115 VanDerWaalsContact O-CG1 3.24Å; A1111-I1115 WeakPolarHBondContact O-CG1 3.41Å; A1111-I1115 PolarHBondContact O-N 3.32Å |
| 1112 | M | 57.1 | Low | 58.4 | Low | 101 Ų | 101 | 114.8 Ų | 114.8 | 50% | 0.498 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.7 | -32.8 | 177.3 | -106 | -118.8 | -160.7 | 0 | 0 | 112.3 | S1109 P1110 I1115 K1116 | S1109-M1112 WeakPolarHBondContact O-CB 3.49Å; S1109-M1112 PolarHBondContact O-N 2.96Å; P1110-M1112 VanDerWaalsContact C-N 3.33Å; P1110-M1112 PolarHBondContact O-N 3.25Å; M1112-I1115 PolarHBondContact O-N 3.49Å; M1112-K1116 WeakPolarHBondContact O-CB 3.39Å; M1112-K1116 WeakPolarHBondContact O-CG 3.33Å; M1112-K1116 PolarHBondContact O-N 2.91Å |
| 1113 | K | 66.7 | Low | 61 | Low | 137 Ų | 137 | 113 Ų | 113 | 60% | 0.596 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.1 | -46.7 | 172.8 | -72.6 | -178.1 | 179.7 | 174.1 | 0 | 110.3 | S1109 P1110 A1111 I1115 K1116 T1117 | S1109-K1113 PolarHBondContact O-N 3.14Å; P1110-K1113 PolarHBondContact O-N 3.41Å; A1111-K1113 VanDerWaalsContact C-N 3.35Å; A1111-K1113 PolarHBondContact O-N 3.5Å; K1113-I1115 VanDerWaalsContact C-N 3.35Å; K1113-I1115 PolarHBondContact O-N 2.9Å; K1113-K1116 PolarHBondContact O-N 3.35Å; K1113-T1117 PolarHBondContact O-N 3.49Å; K1113-T1117 PolarHBondContact O-OG1 3.43Å |
| 1114 | T | 67.8 | Low | 63.6 | Low | 93 Ų | 93 | 107 Ų | 107 | 57% | 0.571 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.4 | -43 | 177 | -47.5 | 0 | 0 | 0 | 0 | 111.9 | P1110 A1111 T1117 A1118 | P1110-T1114 PolarHBondContact O-N 3.21Å; P1110-T1114 VanDerWaalsContact O-N 3.13Å; P1110-T1114 PolarHBondContact O-OG1 3.13Å; P1110-T1114 VanDerWaalsContact O-OG1 3.1Å; A1111-T1114 PolarHBondContact O-N 2.95Å; T1114-T1117 VanDerWaalsContact C-OG1 3.31Å; T1114-T1117 VanDerWaalsContact CA-OG1 3.27Å; T1114-T1117 WeakPolarHBondContact CA-OG1 3.3Å; T1114-T1117 PolarHBondContact O-N 3.21Å; T1114-T1117 PolarHBondContact O-OG1 2.94Å; T1114-A1118 WeakPolarHBondContact O-CB 3.49Å; T1114-A1118 PolarHBondContact O-N 2.96Å |
| 1115 | I | 68.4 | Low | 65.6 | Low | 94 Ų | 94 | 105.4 Ų | 105.4 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65 | -41.8 | 176.7 | -67.2 | 164.3 | 0 | 0 | 0 | 111.2 | A1111 M1112 K1113 A1118 K1119 | A1111-I1115 WeakPolarHBondContact O-CD1 3.47Å; A1111-I1115 VanDerWaalsContact O-CG1 3.24Å; A1111-I1115 WeakPolarHBondContact O-CG1 3.41Å; A1111-I1115 PolarHBondContact O-N 3.32Å; M1112-I1115 PolarHBondContact O-N 3.49Å; K1113-I1115 VanDerWaalsContact C-N 3.35Å; K1113-I1115 PolarHBondContact O-N 2.9Å; I1115-A1118 PolarHBondContact O-N 3.4Å; I1115-K1119 HydrophobicContact CG2-CD 4.44Å; I1115-K1119 WeakPolarHBondContact O-CB 3.46Å; I1115-K1119 WeakPolarHBondContact O-CG 3.45Å; I1115-K1119 PolarHBondContact O-N 3.43Å |
| 1116 | K | 73 | Confident | 67.4 | Low | 137 Ų | 137 | 103.5 Ų | 103.5 | 60% | 0.596 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.2 | -42 | 175.5 | -83.5 | -178 | 177.9 | 177.5 | 0 | 111.7 | M1112 K1113 K1120 | M1112-K1116 WeakPolarHBondContact O-CB 3.39Å; M1112-K1116 WeakPolarHBondContact O-CG 3.33Å; M1112-K1116 PolarHBondContact O-N 2.91Å; K1113-K1116 PolarHBondContact O-N 3.35Å; K1116-K1120 WeakPolarHBondContact O-CB 3.41Å; K1116-K1120 PolarHBondContact O-N 2.94Å |
| 1117 | T | 73.2 | Confident | 69.5 | Low | 77 Ų | 77 | 102.6 Ų | 102.6 | 47% | 0.472 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -43.6 | 174.4 | 35.7 | 0 | 0 | 0 | 0 | 112.1 | K1113 T1114 K1119 K1120 F1121 | K1113-T1117 PolarHBondContact O-N 3.49Å; K1113-T1117 PolarHBondContact O-OG1 3.43Å; T1114-T1117 VanDerWaalsContact C-OG1 3.31Å; T1114-T1117 VanDerWaalsContact CA-OG1 3.27Å; T1114-T1117 WeakPolarHBondContact CA-OG1 3.3Å; T1114-T1117 PolarHBondContact O-N 3.21Å; T1114-T1117 PolarHBondContact O-OG1 2.94Å; T1117-K1119 PolarHBondContact O-N 2.99Å; T1117-K1120 WeakPolarHBondContact O-CB 3.41Å; T1117-K1120 PolarHBondContact O-N 3.38Å; T1117-K1120 VanDerWaalsContact O-N 3.16Å; T1117-F1121 WeakPolarHBondContact O-CD2 3.49Å; T1117-F1121 PolarHBondContact O-N 3.3Å |
| 1118 | A | 73.9 | Confident | 71.3 | Confident | 47 Ų | 47 | 99.6 Ų | 99.6 | 39% | 0.388 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1114 I1115 K1120 F1121 I1122 | T1114-A1118 WeakPolarHBondContact O-CB 3.49Å; T1114-A1118 PolarHBondContact O-N 2.96Å; I1115-A1118 PolarHBondContact O-N 3.4Å; A1118-K1120 VanDerWaalsContact C-N 3.3Å; A1118-K1120 PolarHBondContact O-N 2.62Å; A1118-F1121 PolarHBondContact O-N 2.95Å; A1118-I1122 WeakPolarHBondContact O-CG1 3.43Å; A1118-I1122 PolarHBondContact O-N 3.31Å |
| 1119 | K | 77.7 | Confident | 72.9 | Confident | 147 Ų | 147 | 100 Ų | 100 | 64% | 0.639 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.5 | -39.9 | 173.7 | -78.1 | -173.9 | 175.6 | -176.3 | 0 | 111.9 | I1115 T1117 I1122 S1123 | I1115-K1119 HydrophobicContact CG2-CD 4.44Å; I1115-K1119 WeakPolarHBondContact O-CB 3.46Å; I1115-K1119 WeakPolarHBondContact O-CG 3.45Å; I1115-K1119 PolarHBondContact O-N 3.43Å; T1117-K1119 PolarHBondContact O-N 2.99Å; K1119-I1122 PolarHBondContact O-N 3.35Å; K1119-S1123 WeakPolarHBondContact O-CB 3.14Å; K1119-S1123 PolarHBondContact O-N 3.21Å; K1119-S1123 PolarHBondContact O-OG 2.85Å |
| 1120 | K | 83.3 | Confident | 73.9 | Confident | 159 Ų | 159 | 103.9 Ų | 103.9 | 69% | 0.691 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63 | -45.5 | 176.6 | -164.6 | 176.4 | -178.7 | -179.9 | 0 | 111.5 | K1116 T1117 A1118 S1123 A1124 | K1116-K1120 WeakPolarHBondContact O-CB 3.41Å; K1116-K1120 PolarHBondContact O-N 2.94Å; T1117-K1120 WeakPolarHBondContact O-CB 3.41Å; T1117-K1120 PolarHBondContact O-N 3.38Å; T1117-K1120 VanDerWaalsContact O-N 3.16Å; A1118-K1120 VanDerWaalsContact C-N 3.3Å; A1118-K1120 PolarHBondContact O-N 2.62Å; K1120-S1123 PolarHBondContact O-N 3.46Å; K1120-S1123 PolarHBondContact O-OG 3.34Å; K1120-A1124 PolarHBondContact O-N 3.23Å |
| 1121 | F | 80.9 | Confident | 74.7 | Confident | 162 Ų | 162 | 105 Ų | 105 | 71% | 0.711 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.8 | -44.4 | 175.9 | -89 | -75.3 | 0 | 0 | 0 | 112.9 | T1117 A1118 S1123 A1124 A1125 | T1117-F1121 WeakPolarHBondContact O-CD2 3.49Å; T1117-F1121 PolarHBondContact O-N 3.3Å; A1118-F1121 PolarHBondContact O-N 2.95Å; F1121-S1123 VanDerWaalsContact C-N 3.35Å; F1121-S1123 PolarHBondContact O-N 3.07Å; F1121-A1124 PolarHBondContact O-N 3.34Å; F1121-A1125 PolarHBondContact O-N 3.48Å |
| 1122 | I | 78.8 | Confident | 75.4 | Confident | 104 Ų | 104 | 107.4 Ų | 107.4 | 53% | 0.533 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.9 | -42.6 | 178.1 | -66.3 | 165.3 | 0 | 0 | 0 | 110.6 | A1118 K1119 A1124 A1125 L1126 | A1118-I1122 WeakPolarHBondContact O-CG1 3.43Å; A1118-I1122 PolarHBondContact O-N 3.31Å; K1119-I1122 PolarHBondContact O-N 3.35Å; I1122-A1124 VanDerWaalsContact C-N 3.35Å; I1122-A1124 PolarHBondContact O-N 3.12Å; I1122-A1125 PolarHBondContact O-N 3.36Å; I1122-L1126 HydrophobicContact CG2-CD1 4.01Å; I1122-L1126 PolarHBondContact O-N 2.86Å |
| 1123 | S | 82.3 | Confident | 75.8 | Confident | 68 Ų | 68 | 107.5 Ų | 107.5 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -39.2 | 178.1 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | K1119 K1120 F1121 L1126 K1127 | K1119-S1123 WeakPolarHBondContact O-CB 3.14Å; K1119-S1123 PolarHBondContact O-N 3.21Å; K1119-S1123 PolarHBondContact O-OG 2.85Å; K1120-S1123 PolarHBondContact O-N 3.46Å; K1120-S1123 PolarHBondContact O-OG 3.34Å; F1121-S1123 VanDerWaalsContact C-N 3.35Å; F1121-S1123 PolarHBondContact O-N 3.07Å; S1123-L1126 PolarHBondContact O-N 3.36Å; S1123-K1127 WeakPolarHBondContact O-CB 3.12Å; S1123-K1127 PolarHBondContact O-N 3Å |
| 1124 | A | 84.2 | Confident | 75.8 | Confident | 57 Ų | 57 | 105 Ų | 105 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1120 F1121 I1122 K1127 A1128 | K1120-A1124 PolarHBondContact O-N 3.23Å; F1121-A1124 PolarHBondContact O-N 3.34Å; I1122-A1124 VanDerWaalsContact C-N 3.35Å; I1122-A1124 PolarHBondContact O-N 3.12Å; A1124-K1127 PolarHBondContact O-N 3.05Å; A1124-A1128 WeakPolarHBondContact O-CB 3.49Å; A1124-A1128 PolarHBondContact O-N 3.31Å |
| 1125 | A | 79.3 | Confident | 75.3 | Confident | 62 Ų | 62 | 111.2 Ų | 111.2 | 51% | 0.512 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.8 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1121 I1122 A1128 K1129 | F1121-A1125 PolarHBondContact O-N 3.48Å; I1122-A1125 PolarHBondContact O-N 3.36Å; A1125-A1128 PolarHBondContact O-N 3.01Å; A1125-K1129 WeakPolarHBondContact O-CB 3.42Å; A1125-K1129 PolarHBondContact O-N 3.36Å |
| 1126 | L | 77.2 | Confident | 74.5 | Confident | 108 Ų | 108 | 117.4 Ų | 117.4 | 57% | 0.565 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.2 | -41.6 | 175.3 | -78.8 | 166 | 0 | 0 | 0 | 111.9 | I1122 S1123 K1129 Q1130 | I1122-L1126 HydrophobicContact CG2-CD1 4.01Å; I1122-L1126 PolarHBondContact O-N 2.86Å; S1123-L1126 PolarHBondContact O-N 3.36Å; L1126-K1129 PolarHBondContact O-N 3.28Å; L1126-Q1130 PolarHBondContact O-N 3.43Å |
| 1127 | K | 82.7 | Confident | 74.5 | Confident | 139 Ų | 139 | 116.4 Ų | 116.4 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.3 | -40.2 | 177.6 | -156.4 | 174.3 | -172.9 | 178.8 | 0 | 112 | S1123 A1124 K1129 Q1130 Q1131 | S1123-K1127 WeakPolarHBondContact O-CB 3.12Å; S1123-K1127 PolarHBondContact O-N 3Å; A1124-K1127 PolarHBondContact O-N 3.05Å; K1127-K1129 VanDerWaalsContact C-N 3.34Å; K1127-K1129 PolarHBondContact O-N 3.08Å; K1127-Q1130 PolarHBondContact O-N 2.95Å; K1127-Q1131 PolarHBondContact O-N 3.41Å |
| 1128 | A | 80 | Confident | 74.6 | Confident | 50 Ų | 50 | 118.5 Ų | 118.5 | 41% | 0.413 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -64 | -38.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A1124 A1125 Q1131 N1132 | A1124-A1128 WeakPolarHBondContact O-CB 3.49Å; A1124-A1128 PolarHBondContact O-N 3.31Å; A1125-A1128 PolarHBondContact O-N 3.01Å; A1128-Q1131 PolarHBondContact O-N 3.49Å; A1128-N1132 PolarHBondContact O-N 3.17Å |
| 1129 | K | 76 | Confident | 74.7 | Confident | 142 Ų | 142 | 122.4 Ų | 122.4 | 62% | 0.617 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.8 | -41.2 | 175.6 | -166 | 178.3 | -178.9 | -177.9 | 0 | 111.9 | A1125 L1126 K1127 N1132 N1133 | A1125-K1129 WeakPolarHBondContact O-CB 3.42Å; A1125-K1129 PolarHBondContact O-N 3.36Å; L1126-K1129 PolarHBondContact O-N 3.28Å; K1127-K1129 VanDerWaalsContact C-N 3.34Å; K1127-K1129 PolarHBondContact O-N 3.08Å; K1129-N1132 PolarHBondContact O-N 3.31Å; K1129-N1133 PolarHBondContact O-N 3.13Å |
| 1130 | Q | 75.4 | Confident | 74.5 | Confident | 144 Ų | 144 | 121 Ų | 121 | 67% | 0.673 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.7 | -42 | 173.7 | -83.1 | -179.8 | -22.3 | 0 | 0 | 112.2 | L1126 K1127 N1132 N1133 A1134 | L1126-Q1130 PolarHBondContact O-N 3.43Å; K1127-Q1130 PolarHBondContact O-N 2.95Å; Q1130-N1132 PolarHBondContact O-N 3.4Å; Q1130-N1133 PolarHBondContact O-N 3.43Å; Q1130-A1134 PolarHBondContact O-N 3.33Å |
| 1131 | Q | 75.9 | Confident | 73.9 | Confident | 123 Ų | 123 | 118.6 Ų | 118.6 | 58% | 0.575 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.1 | -39.1 | 175.7 | -77.9 | -178 | -21.6 | 0 | 0 | 112.8 | K1127 A1128 N1133 A1134 R1135 | K1127-Q1131 PolarHBondContact O-N 3.41Å; A1128-Q1131 PolarHBondContact O-N 3.49Å; Q1131-N1133 VanDerWaalsContact C-N 3.32Å; Q1131-A1134 PolarHBondContact O-N 3.37Å; Q1131-R1135 WeakPolarHBondContact O-CG 3.47Å; Q1131-R1135 PolarHBondContact O-N 3.11Å |
| 1132 | N | 68.9 | Low | 73.5 | Confident | 104 Ų | 104 | 115.7 Ų | 115.7 | 56% | 0.556 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.6 | -32.6 | 174.4 | -92.8 | -8.4 | 0 | 0 | 0 | 112.7 | A1128 K1129 Q1130 K1136 | A1128-N1132 PolarHBondContact O-N 3.17Å; K1129-N1132 PolarHBondContact O-N 3.31Å; Q1130-N1132 PolarHBondContact O-N 3.4Å; N1132-K1136 PolarHBondContact O-N 3.45Å |
| 1133 | N | 66.8 | Low | 73.1 | Confident | 103 Ų | 103 | 116.6 Ų | 116.6 | 55% | 0.551 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.4 | -23.9 | 173.9 | -83.8 | 4.4 | 0 | 0 | 0 | 113.3 | K1129 Q1130 Q1131 K1136 | K1129-N1133 PolarHBondContact O-N 3.13Å; Q1130-N1133 PolarHBondContact O-N 3.43Å; Q1131-N1133 VanDerWaalsContact C-N 3.32Å; N1133-K1136 VanDerWaalsContact O-OXT 3.05Å |
| 1134 | A | 65.8 | Low | 72.4 | Confident | 86 Ų | 86 | 120.3 Ų | 120.3 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -84 | -19 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1130 Q1131 | Q1130-A1134 PolarHBondContact O-N 3.33Å; Q1131-A1134 PolarHBondContact O-N 3.37Å |
| 1135 | R | 58.8 | Low | 71.4 | Confident | 223 Ų | 223 | 125.6 Ų | 125.6 | 84% | 0.842 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -88.1 | -18.1 | 173.7 | -77.6 | -176.9 | 174.1 | -174.8 | -1.6 | 113.5 | Q1131 | Q1131-R1135 WeakPolarHBondContact O-CG 3.47Å; Q1131-R1135 PolarHBondContact O-N 3.11Å |
| 1136 | K | 50.1 | Low | 70.7 | Confident | 223 Ų | 223 | 131.4 Ų | 131.4 | 97% | 0.97 | 64% | 0.643 | S | S | * | * | trans | -87 | 0 | 166.3 | -75.1 | -176.3 | 176.6 | -174.1 | 0 | 108.7 | N1132 N1133 | N1132-K1136 PolarHBondContact O-N 3.45Å; N1133-K1136 VanDerWaalsContact O-OXT 3.05Å |
Retrieved 1,136 of 1,136 residues in 184.4 ms
(Link to these results)