| 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 | 85.5 | Confident | 92.7 | Very high | 15 Ų | 15 | 28 Ų | 28 | 7% | 0.074 | 13% | 0.129 | C | C | . | . | 0 | 135.6 | 0 | -176.9 | 178.9 | 176.6 | 0 | 0 | 108.6 | F83 D84 I101 V134 P1108 | M1-F83 HydrophobicContact CE-CB 3.3Å; M1-F83 HydrophobicContact CE-CD1 3.81Å; M1-F83 HydrophobicContact CE-CD2 3.55Å; M1-F83 HydrophobicContact CE-CE1 4.47Å; M1-F83 HydrophobicContact CE-CE2 4.26Å; M1-F83 HydrophobicContact CE-CG 3.28Å; M1-F83 HydrophobicContact CG-CB 3.82Å; M1-F83 HydrophobicContact CG-CD1 4.36Å; M1-F83 HydrophobicContact CG-CG 4.36Å; M1-F83 HydrophobicContact SD-CB 4.38Å; M1-D84 WeakPolarHBondContact CA-O 3.42Å; M1-D84 WeakPolarHBondContact CG-O 3.44Å; M1-I101 HydrophobicContact CE-CD1 4.46Å; M1-V134 HydrophobicContact SD-CB 4.29Å; M1-V134 HydrophobicContact SD-CG1 3.9Å; M1-V134 HydrophobicContact SD-CG2 4.03Å; M1-P1108 WeakPolarHBondContact O-CB 3.24Å | |||
| 2 | Y | 89.4 | Confident | 92.6 | Very high | 65 Ų | 65 | 28.5 Ų | 28.5 | 26% | 0.255 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 162.6 | 177 | 63.5 | -92.5 | 0 | 0 | 0 | 111.3 | K4 P25 F83 D84 | Y2-K4 PolarHBondContact O-N 2.87Å; Y2-P25 HydrophobicContact CD1-CB 4.47Å; Y2-P25 HydrophobicContact CD2-CB 4.46Å; Y2-P25 HydrophobicContact CD2-CG 4.49Å; Y2-P25 HydrophobicContact CE1-CB 4.47Å; Y2-P25 HydrophobicContact CE1-CG 4.42Å; Y2-P25 HydrophobicContact CE2-CB 4.47Å; Y2-P25 HydrophobicContact CE2-CG 4.05Å; Y2-P25 HydrophobicContact CG-CB 4.48Å; Y2-F83 CarbonylContact O-C 3.48Å; Y2-F83 VanDerWaalsContact O-CA 3.23Å; Y2-F83 WeakPolarHBondContact O-CA 3.42Å; Y2-D84 HydrophobicContact CD1-CB 4Å; Y2-D84 HydrophobicContact CD2-CB 4.28Å; Y2-D84 HydrophobicContact CE1-CB 3.6Å; Y2-D84 HydrophobicContact CE2-CB 3.91Å; Y2-D84 HydrophobicContact CG-CB 4.31Å; Y2-D84 PolarHBondContact N-O 3Å; Y2-D84 PolarHBondContact O-N 2.62Å |
| 3 | I | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.9 | 180 | -60.3 | 173.6 | 0 | 0 | 0 | 109.5 | I6 F23 I45 I81 F83 I1109 Q1139 | I3-I6 HydrophobicContact CG2-CD1 4.21Å; I3-I6 HydrophobicContact CG2-CG1 3.81Å; I3-F23 HydrophobicContact CG2-CD2 4.06Å; I3-F23 HydrophobicContact CG2-CE2 4.33Å; I3-F23 HydrophobicContact CG2-CG 4.17Å; I3-F23 VanDerWaalsContact O-CB 3.24Å; I3-F23 WeakPolarHBondContact O-CB 3.22Å; I3-I45 HydrophobicContact CD1-CD1 4.26Å; I3-I45 HydrophobicContact CD1-CG2 4.49Å; I3-I81 HydrophobicContact CG1-CG2 4.15Å; I3-I81 HydrophobicContact CG2-CG2 3.98Å; I3-F83 HydrophobicContact CD1-CE1 4.49Å; I3-F83 HydrophobicContact CG1-CD1 3.99Å; I3-F83 HydrophobicContact CG1-CE1 3.65Å; I3-I1109 HydrophobicContact CD1-CD1 4.1Å; I3-I1109 HydrophobicContact CD1-CG2 4.17Å; I3-I1109 HydrophobicContact CG1-CD1 3.66Å; I3-I1109 HydrophobicContact CG1-CG1 4.37Å; I3-Q1139 PolarHBondContact O-NE2 3.33Å |
| 4 | K | 92.4 | Very high | 92.4 | Very high | 86 Ų | 86 | 25.6 Ų | 25.6 | 37% | 0.374 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -43.6 | 175.3 | -169.8 | 173.9 | -177.2 | 171.7 | 0 | 111.7 | Y2 G22 T82 E100 | Y2-K4 PolarHBondContact O-N 2.87Å; K4-G22 PolarHBondContact O-N 3.19Å; K4-T82 PolarHBondContact N-O 2.91Å; K4-E100 IonicContact NZ-OE1 3.46Å; K4-E100 PolarHBondContact NZ-OE1 2.98Å |
| 5 | S | 94.3 | Very high | 92 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 12% | 0.119 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.3 | 177.7 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | I20 N21 I81 T82 | S5-I20 CarbonylContact C-O 3.58Å; S5-I20 VanDerWaalsContact CA-O 3.29Å; S5-I20 WeakPolarHBondContact CA-O 3.37Å; S5-N21 WeakPolarHBondContact CB-OD1 3.38Å; S5-I81 WeakPolarHBondContact O-CA 3.1Å; S5-T82 PolarHBondContact N-O 2.77Å; S5-T82 PolarHBondContact O-N 3.47Å; S5-T82 WeakPolarHBondContact OG-CB 3.48Å |
| 6 | I | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.3 | 176.6 | -48.4 | -175.4 | 0 | 0 | 0 | 108.6 | I3 I8 I20 F23 I41 I45 V79 S80 I81 | I3-I6 HydrophobicContact CG2-CD1 4.21Å; I3-I6 HydrophobicContact CG2-CG1 3.81Å; I6-I8 HydrophobicContact CG2-CD1 4.19Å; I6-I8 HydrophobicContact CG2-CG1 3.81Å; I6-I20 HydrophobicContact CB-CB 4.36Å; I6-I20 PolarHBondContact N-O 3.17Å; I6-I20 PolarHBondContact O-N 3.45Å; I6-F23 HydrophobicContact CD1-CE1 4.37Å; I6-F23 HydrophobicContact CD1-CE2 3.93Å; I6-F23 HydrophobicContact CD1-CZ 3.56Å; I6-F23 HydrophobicContact CG1-CE2 3.75Å; I6-F23 HydrophobicContact CG1-CZ 3.95Å; I6-I41 HydrophobicContact CD1-CG2 4.5Å; I6-I45 HydrophobicContact CD1-CD1 3.77Å; I6-I45 HydrophobicContact CD1-CG1 3.71Å; I6-V79 HydrophobicContact CG2-CG1 4.49Å; I6-S80 CarbonylContact C-O 3.26Å; I6-S80 WeakPolarHBondContact CA-O 3.5Å; I6-I81 HydrophobicContact CB-CG1 4.34Å; I6-I81 HydrophobicContact CG1-CG1 4.05Å; I6-I81 HydrophobicContact CG2-CG1 3.91Å |
| 7 | I | 95.5 | Very high | 91.8 | Very high | 35 Ų | 35 | 39.2 Ų | 39.2 | 18% | 0.179 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.4 | 174 | -59.1 | 169.3 | 0 | 0 | 0 | 108.3 | R17 E19 V79 S80 | I7-R17 HydrophobicContact CG2-CG 3.94Å; I7-E19 HydrophobicContact CG1-CB 4.4Å; I7-E19 HydrophobicContact CG1-CG 3.98Å; I7-V79 WeakPolarHBondContact O-CA 3.45Å; I7-S80 PolarHBondContact N-O 3.44Å; I7-S80 PolarHBondContact O-N 3.48Å |
| 8 | I | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.9 | -177.5 | -52.5 | 178.1 | 0 | 0 | 0 | 108.6 | I6 F11 Y14 R17 T18 I20 S44 | I6-I8 HydrophobicContact CG2-CD1 4.19Å; I6-I8 HydrophobicContact CG2-CG1 3.81Å; I8-F11 HydrophobicContact CG2-CB 3.49Å; I8-F11 VanDerWaalsContact CG2-CB 3.49Å; I8-F11 HydrophobicContact CG2-CD1 4.19Å; I8-F11 HydrophobicContact CG2-CG 4.13Å; I8-Y14 HydrophobicContact CD1-CD2 4.4Å; I8-Y14 HydrophobicContact CD1-CE2 4.35Å; I8-Y14 HydrophobicContact CG2-CD2 4Å; I8-Y14 HydrophobicContact CG2-CG 4.05Å; I8-R17 CarbonylContact O-C 3.56Å; I8-R17 WeakPolarHBondContact O-CA 2.98Å; I8-T18 PolarHBondContact N-O 3Å; I8-T18 PolarHBondContact O-N 2.98Å; I8-I20 HydrophobicContact CD1-CD1 3.99Å; I8-S44 WeakPolarHBondContact CD1-OG 3.31Å |
| 9 | E | 94.3 | Very high | 91.9 | Very high | 90 Ų | 90 | 41.6 Ų | 41.6 | 42% | 0.421 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 129.1 | 179.4 | -177.6 | -175.1 | -160.2 | 0 | 0 | 110.1 | F11 R17 A77 T78 | E9-F11 PolarHBondContact O-N 3.27Å; E9-R17 HydrophobicContact CG-CB 4.41Å; E9-A77 CarbonylContact O-C 3.55Å; E9-A77 WeakPolarHBondContact O-CA 3.49Å; E9-T78 PolarHBondContact N-O 3.4Å; E9-T78 PolarHBondContact O-N 2.83Å |
| 10 | G | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 62.6 | 23.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y14 A15 Y67 A77 | G10-Y14 CarbonylContact C-O 3.52Å; G10-Y14 VanDerWaalsContact CA-O 3.26Å; G10-Y14 WeakPolarHBondContact CA-O 3.02Å; G10-Y14 PolarHBondContact N-O 2.98Å; G10-A15 PolarHBondContact N-O 3.45Å; G10-Y67 PolarHBondContact O-N 3.11Å; G10-A77 WeakPolarHBondContact O-CB 3.44Å |
| 11 | F | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -110.3 | 120 | -171 | -173.1 | -92.5 | 0 | 0 | 0 | 111.7 | I8 E9 S13 Y14 D43 F47 L65 A77 V79 | I8-F11 HydrophobicContact CG2-CB 3.49Å; I8-F11 VanDerWaalsContact CG2-CB 3.49Å; I8-F11 HydrophobicContact CG2-CD1 4.19Å; I8-F11 HydrophobicContact CG2-CG 4.13Å; E9-F11 PolarHBondContact O-N 3.27Å; F11-S13 PolarHBondContact O-N 2.74Å; F11-Y14 PolarHBondContact N-O 3.45Å; F11-Y14 WeakPolarHBondContact O-CB 3.44Å; F11-Y14 PolarHBondContact O-N 3.24Å; F11-D43 HydrophobicContact CE1-CB 4.18Å; F11-D43 HydrophobicContact CZ-CB 4.32Å; F11-F47 HydrophobicContact CD2-CD1 4.34Å; F11-F47 HydrophobicContact CE2-CB 3.97Å; F11-F47 AromaticContact CE2-CD1 3.7Å; F11-F47 HydrophobicContact CE2-CD1 3.7Å; F11-F47 HydrophobicContact CE2-CD2 4.48Å; F11-F47 HydrophobicContact CE2-CE1 4.29Å; F11-F47 AromaticContact CE2-CG 3.8Å; F11-F47 HydrophobicContact CE2-CG 3.8Å; F11-F47 HydrophobicContact CZ-CB 4.03Å; F11-F47 HydrophobicContact CZ-CG 4.37Å; F11-L65 CarbonylContact C-O 3.55Å; F11-L65 WeakPolarHBondContact CA-O 3.23Å; F11-L65 HydrophobicContact CD2-CB 4.26Å; F11-L65 HydrophobicContact CE2-CB 3.86Å; F11-L65 HydrophobicContact CE2-CD1 4.22Å; F11-L65 HydrophobicContact CE2-CD2 4.31Å; F11-L65 HydrophobicContact CE2-CG 4.37Å; F11-L65 HydrophobicContact CZ-CD2 4.17Å; F11-A77 HydrophobicContact CB-CB 4.23Å; F11-A77 HydrophobicContact CD2-CB 4.11Å; F11-V79 HydrophobicContact CB-CG2 4.47Å; F11-V79 HydrophobicContact CD2-CG2 3.71Å; F11-V79 HydrophobicContact CE2-CG2 4.04Å; F11-V79 HydrophobicContact CG-CG2 4.05Å |
| 12 | K | 91.9 | Very high | 92 | Very high | 34 Ų | 34 | 42 Ų | 42 | 15% | 0.148 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | -98.8 | -179.2 | -66.4 | -167.5 | 176.5 | -167.6 | 0 | 114.4 | N40 D43 V57 L65 Y67 | K12-N40 HydrophobicContact CB-CB 4.4Å; K12-N40 HydrophobicContact CD-CB 4.29Å; K12-N40 WeakPolarHBondContact CD-OD1 3.26Å; K12-D43 IonicContact NZ-OD2 2.74Å; K12-D43 PolarHBondContact NZ-OD2 3.24Å; K12-V57 PolarHBondContact NZ-O 3.23Å; K12-L65 HydrophobicContact CD-CD2 4.49Å; K12-L65 HydrophobicContact CG-CD2 4.44Å; K12-L65 PolarHBondContact N-O 2.91Å; K12-Y67 WeakPolarHBondContact O-CA 2.96Å; K12-Y67 WeakPolarHBondContact O-CD2 3.29Å |
| 13 | S | 90.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 11% | 0.112 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.7 | 179.6 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | F11 N40 M1165 S1166 | F11-S13 PolarHBondContact O-N 2.74Å; S13-N40 PolarHBondContact OG-ND2 3.31Å; S13-M1165 WeakPolarHBondContact O-CA 2.94Å; S13-S1166 WeakPolarHBondContact CB-OG 3.46Å; S13-S1166 PolarHBondContact O-N 2.99Å; S13-S1166 WeakPolarHBondContact OG-CB 3.34Å; S13-S1166 PolarHBondContact OG-OG 2.99Å |
| 14 | Y | 91.7 | Very high | 92 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -99.9 | 87.6 | 178.4 | -63.2 | -80.1 | 0 | 0 | 0 | 110.1 | I8 G10 F11 T18 G37 N40 I41 S1166 V1168 | I8-Y14 HydrophobicContact CD1-CD2 4.4Å; I8-Y14 HydrophobicContact CD1-CE2 4.35Å; I8-Y14 HydrophobicContact CG2-CD2 4Å; I8-Y14 HydrophobicContact CG2-CG 4.05Å; G10-Y14 CarbonylContact C-O 3.52Å; G10-Y14 VanDerWaalsContact CA-O 3.26Å; G10-Y14 WeakPolarHBondContact CA-O 3.02Å; G10-Y14 PolarHBondContact N-O 2.98Å; F11-Y14 PolarHBondContact N-O 3.45Å; F11-Y14 WeakPolarHBondContact O-CB 3.44Å; F11-Y14 PolarHBondContact O-N 3.24Å; Y14-T18 HydrophobicContact CD1-CG2 4.05Å; Y14-T18 HydrophobicContact CE1-CG2 4.1Å; Y14-G37 PolarHBondContact OH-O 2.99Å; Y14-N40 HydrophobicContact CD2-CB 4.41Å; Y14-N40 HydrophobicContact CE2-CB 3.89Å; Y14-I41 HydrophobicContact CE2-CG1 4.26Å; Y14-I41 WeakPolarHBondContact OH-CD1 3.43Å; Y14-I41 WeakPolarHBondContact OH-CG1 3.14Å; Y14-S1166 VanDerWaalsContact CD1-O 3.23Å; Y14-S1166 WeakPolarHBondContact CD1-O 3.18Å; Y14-S1166 VanDerWaalsContact CE1-CB 3.44Å; Y14-S1166 WeakPolarHBondContact CE1-O 3.42Å; Y14-V1168 HydrophobicContact CE1-CG2 3.99Å |
| 15 | A | 87.3 | Confident | 91.8 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | trans | -71.4 | -43.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | G10 Y67 I74 M1165 | G10-A15 PolarHBondContact N-O 3.45Å; A15-Y67 HydrophobicContact CB-CD1 3.91Å; A15-Y67 HydrophobicContact CB-CD2 3.7Å; A15-Y67 HydrophobicContact CB-CE1 3.8Å; A15-Y67 HydrophobicContact CB-CE2 3.68Å; A15-Y67 HydrophobicContact CB-CG 3.85Å; A15-I74 HydrophobicContact CB-CD1 3.67Å; A15-I74 WeakPolarHBondContact O-CD1 3.47Å; A15-M1165 HydrophobicContact CB-CG 3.88Å; A15-M1165 HydrophobicContact CB-SD 3.66Å | ||
| 16 | Q | 88.1 | Confident | 91.5 | Very high | 135 Ų | 135 | 42.7 Ų | 42.7 | 63% | 0.631 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -93.1 | 159.4 | 179.5 | -64.5 | -178.4 | -0.8 | 0 | 0 | 111.8 | T18 M1165 | Q16-T18 PolarHBondContact O-N 3.06Å; Q16-T18 PolarHBondContact O-OG1 3.42Å; Q16-M1165 HydrophobicContact CG-SD 3.97Å |
| 17 | R | 92.4 | Very high | 91.2 | Very high | 160 Ų | 160 | 42.8 Ų | 42.8 | 60% | 0.604 | 22% | 0.218 | S | C | * | . | trans | -58.5 | 111.1 | 173.8 | -179.3 | 178.1 | 170 | -179.8 | -4.6 | 109.9 | I7 I8 E9 E19 | I7-R17 HydrophobicContact CG2-CG 3.94Å; I8-R17 CarbonylContact O-C 3.56Å; I8-R17 WeakPolarHBondContact O-CA 2.98Å; E9-R17 HydrophobicContact CG-CB 4.41Å; R17-E19 IonicContact NH2-OE2 2.82Å | ||
| 18 | T | 91.9 | Very high | 91 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.9 | 179 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | I8 Y14 Q16 V1168 | I8-T18 PolarHBondContact N-O 3Å; I8-T18 PolarHBondContact O-N 2.98Å; Y14-T18 HydrophobicContact CD1-CG2 4.05Å; Y14-T18 HydrophobicContact CE1-CG2 4.1Å; Q16-T18 PolarHBondContact O-N 3.06Å; Q16-T18 PolarHBondContact O-OG1 3.42Å; T18-V1168 HydrophobicContact CG2-CG2 4.36Å |
| 19 | E | 92.9 | Very high | 90.8 | Very high | 100 Ų | 100 | 41.1 Ų | 41.1 | 47% | 0.467 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.1 | -178 | -177.3 | 168.7 | 166.1 | 0 | 0 | 110 | I7 R17 N21 | I7-E19 HydrophobicContact CG1-CB 4.4Å; I7-E19 HydrophobicContact CG1-CG 3.98Å; R17-E19 IonicContact NH2-OE2 2.82Å; E19-N21 WeakPolarHBondContact CG-ND2 3.48Å; E19-N21 VanDerWaalsContact CG-OD1 3.24Å; E19-N21 WeakPolarHBondContact CG-OD1 3.27Å; E19-N21 PolarHBondContact OE1-ND2 3.33Å; E19-N21 PolarHBondContact OE1-OD1 3.13Å |
| 20 | I | 93.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 102 | -179.4 | -48.7 | 173.7 | 0 | 0 | 0 | 107.1 | S5 I6 I8 F23 I41 F1157 V1168 | S5-I20 CarbonylContact C-O 3.58Å; S5-I20 VanDerWaalsContact CA-O 3.29Å; S5-I20 WeakPolarHBondContact CA-O 3.37Å; I6-I20 HydrophobicContact CB-CB 4.36Å; I6-I20 PolarHBondContact N-O 3.17Å; I6-I20 PolarHBondContact O-N 3.45Å; I8-I20 HydrophobicContact CD1-CD1 3.99Å; I20-F23 HydrophobicContact CB-CE2 4.13Å; I20-F23 HydrophobicContact CG2-CE2 3.56Å; I20-F23 HydrophobicContact CG2-CZ 3.79Å; I20-F23 WeakPolarHBondContact O-CE2 3.09Å; I20-I41 HydrophobicContact CD1-CD1 3.93Å; I20-I41 HydrophobicContact CD1-CG1 3.97Å; I20-I41 HydrophobicContact CD1-CG2 3.88Å; I20-F1157 HydrophobicContact CG2-CD1 3.83Å; I20-F1157 HydrophobicContact CG2-CE1 3.65Å; I20-F1157 HydrophobicContact CG2-CG 4.5Å; I20-F1157 HydrophobicContact CG2-CZ 4.19Å; I20-V1168 HydrophobicContact CD1-CG2 4.03Å; I20-V1168 HydrophobicContact CG1-CB 4.36Å; I20-V1168 HydrophobicContact CG1-CG1 4.47Å; I20-V1168 HydrophobicContact CG1-CG2 4.19Å; I20-V1168 HydrophobicContact CG2-CG1 4.36Å |
| 21 | N | 91.4 | Very high | 90.6 | Very high | 70 Ų | 70 | 37.7 Ų | 37.7 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 160.2 | -175.2 | -70.6 | -18.2 | 0 | 0 | 0 | 112.3 | S5 E19 R1170 | S5-N21 WeakPolarHBondContact CB-OD1 3.38Å; E19-N21 WeakPolarHBondContact CG-ND2 3.48Å; E19-N21 VanDerWaalsContact CG-OD1 3.24Å; E19-N21 WeakPolarHBondContact CG-OD1 3.27Å; E19-N21 PolarHBondContact OE1-ND2 3.33Å; E19-N21 PolarHBondContact OE1-OD1 3.13Å; N21-R1170 WeakPolarHBondContact O-CD 3.43Å |
| 22 | G | 87.9 | Confident | 90.3 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 34% | 0.34 | 20% | 0.204 | S | C | . | . | trans | 78.6 | 39.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K4 R1170 | K4-G22 PolarHBondContact O-N 3.19Å; G22-R1170 PolarHBondContact O-NE 3.27Å; G22-R1170 PolarHBondContact O-NH2 2.98Å; G22-R1170 VanDerWaalsContact O-NH2 3.16Å | ||
| 23 | F | 91.8 | Very high | 89.9 | Confident | 13 Ų | 13 | 44 Ų | 44 | 6% | 0.057 | 23% | 0.234 | C | C | . | . | trans | -63.6 | 134.8 | 166.3 | -76.4 | -98.3 | 0 | 0 | 0 | 110.1 | I3 I6 I20 N28 V1141 F1157 | I3-F23 HydrophobicContact CG2-CD2 4.06Å; I3-F23 HydrophobicContact CG2-CE2 4.33Å; I3-F23 HydrophobicContact CG2-CG 4.17Å; I3-F23 VanDerWaalsContact O-CB 3.24Å; I3-F23 WeakPolarHBondContact O-CB 3.22Å; I6-F23 HydrophobicContact CD1-CE1 4.37Å; I6-F23 HydrophobicContact CD1-CE2 3.93Å; I6-F23 HydrophobicContact CD1-CZ 3.56Å; I6-F23 HydrophobicContact CG1-CE2 3.75Å; I6-F23 HydrophobicContact CG1-CZ 3.95Å; I20-F23 HydrophobicContact CB-CE2 4.13Å; I20-F23 HydrophobicContact CG2-CE2 3.56Å; I20-F23 HydrophobicContact CG2-CZ 3.79Å; I20-F23 WeakPolarHBondContact O-CE2 3.09Å; F23-N28 WeakPolarHBondContact CA-OD1 3.07Å; F23-N28 HydrophobicContact CD1-CB 4.28Å; F23-V1141 HydrophobicContact CD1-CG2 4.4Å; F23-V1141 HydrophobicContact CE1-CG1 4.44Å; F23-V1141 HydrophobicContact CE1-CG2 4.31Å; F23-F1157 AromaticContact CD1-CE2 3.74Å; F23-F1157 HydrophobicContact CD1-CE2 3.74Å; F23-F1157 HydrophobicContact CD1-CZ 4.1Å; F23-F1157 HydrophobicContact CD2-CE2 4.44Å; F23-F1157 AromaticContact CD2-CZ 3.99Å; F23-F1157 HydrophobicContact CD2-CZ 3.99Å; F23-F1157 HydrophobicContact CE1-CD2 4.38Å; F23-F1157 AromaticContact CE1-CE2 3.67Å; F23-F1157 HydrophobicContact CE1-CE2 3.67Å; F23-F1157 HydrophobicContact CE1-CZ 4.15Å; F23-F1157 HydrophobicContact CE2-CE2 4.38Å; F23-F1157 HydrophobicContact CE2-CZ 4.04Å; F23-F1157 HydrophobicContact CG-CE2 4.13Å; F23-F1157 HydrophobicContact CG-CZ 4.01Å; F23-F1157 HydrophobicContact CZ-CE2 4Å; F23-F1157 HydrophobicContact CZ-CZ 4.11Å | ||
| 24 | D | 90.6 | Very high | 89.6 | Confident | 40 Ų | 40 | 49.4 Ų | 49.4 | 21% | 0.214 | 26% | 0.261 | C | S | . | . | trans | -77.2 | 144.6 | 172.9 | -170.2 | -94.9 | 0 | 0 | 0 | 110.5 | L26 N28 Q1139 N1154 V1155 | D24-L26 PolarHBondContact O-N 3.45Å; D24-L26 WeakPolarHBondContact OD1-CA 3.24Å; D24-L26 WeakPolarHBondContact OD1-CB 3.25Å; D24-L26 PolarHBondContact OD1-N 3.24Å; D24-N28 PolarHBondContact N-OD1 2.95Å; D24-N28 PolarHBondContact O-ND2 3.12Å; D24-Q1139 WeakPolarHBondContact O-CG 3.25Å; D24-Q1139 PolarHBondContact O-NE2 3.49Å; D24-N1154 HydrophobicContact CB-CB 4.04Å; D24-V1155 HydrophobicContact CB-CB 4.38Å; D24-V1155 HydrophobicContact CB-CG2 3.8Å | ||
| 25 | P | 87.6 | Confident | 88.9 | Confident | 59 Ų | 59 | 52.7 Ų | 52.7 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -63.9 | -18.8 | 177.3 | -22 | 33.8 | 0 | 0 | 0 | 114.5 | Y2 Q1139 | Y2-P25 HydrophobicContact CD1-CB 4.47Å; Y2-P25 HydrophobicContact CD2-CB 4.46Å; Y2-P25 HydrophobicContact CD2-CG 4.49Å; Y2-P25 HydrophobicContact CE1-CB 4.47Å; Y2-P25 HydrophobicContact CE1-CG 4.42Å; Y2-P25 HydrophobicContact CE2-CB 4.47Å; Y2-P25 HydrophobicContact CE2-CG 4.05Å; Y2-P25 HydrophobicContact CG-CB 4.48Å; P25-Q1139 VanDerWaalsContact O-CA 3.23Å; P25-Q1139 WeakPolarHBondContact O-CA 3.44Å; P25-Q1139 VanDerWaalsContact O-CB 3.3Å; P25-Q1139 WeakPolarHBondContact O-CB 3.31Å |
| 26 | L | 88 | Confident | 88.8 | Confident | 69 Ų | 69 | 52.2 Ų | 52.2 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -105.3 | -82.1 | -175.1 | -60.8 | 174.3 | 0 | 0 | 0 | 112.1 | D24 T1136 Q1139 F1140 | D24-L26 PolarHBondContact O-N 3.45Å; D24-L26 WeakPolarHBondContact OD1-CA 3.24Å; D24-L26 WeakPolarHBondContact OD1-CB 3.25Å; D24-L26 PolarHBondContact OD1-N 3.24Å; L26-T1136 WeakPolarHBondContact CD2-O 3.41Å; L26-Q1139 CarbonylContact O-C 3.41Å; L26-Q1139 WeakPolarHBondContact O-CA 3.39Å; L26-F1140 PolarHBondContact O-N 3.48Å |
| 27 | F | 89.1 | Confident | 88.5 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 117.1 | -169.5 | -172.7 | -165.7 | 0 | 0 | 0 | 113 | F1140 V1142 N1152 A1153 N1154 V1155 | F27-F1140 HydrophobicContact CD2-CB 3.9Å; F27-V1142 HydrophobicContact CD2-CG2 4.18Å; F27-V1142 HydrophobicContact CE2-CB 3.92Å; F27-V1142 HydrophobicContact CE2-CG2 3.46Å; F27-V1142 VanDerWaalsContact CE2-CG2 3.46Å; F27-V1142 HydrophobicContact CZ-CG2 4.32Å; F27-N1152 VanDerWaalsContact CD1-O 3.28Å; F27-N1152 WeakPolarHBondContact CD1-O 3.41Å; F27-N1152 HydrophobicContact CE1-CB 3.95Å; F27-A1153 HydrophobicContact CD1-CB 4.07Å; F27-A1153 HydrophobicContact CD2-CB 4.11Å; F27-A1153 HydrophobicContact CE1-CB 4.07Å; F27-A1153 HydrophobicContact CE2-CB 4.05Å; F27-A1153 HydrophobicContact CG-CB 4.08Å; F27-A1153 HydrophobicContact CZ-CB 4.04Å; F27-N1154 WeakPolarHBondContact CB-OD1 3.29Å; F27-N1154 PolarHBondContact N-OD1 3.15Å; F27-N1154 WeakPolarHBondContact O-CB 3.07Å; F27-N1154 PolarHBondContact O-N 3.03Å; F27-V1155 PolarHBondContact O-N 3.22Å |
| 28 | N | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.1 | 177.8 | -53.5 | -89.3 | 0 | 0 | 0 | 110.4 | F23 D24 F1140 V1141 V1142 V1155 F1157 | F23-N28 WeakPolarHBondContact CA-OD1 3.07Å; F23-N28 HydrophobicContact CD1-CB 4.28Å; D24-N28 PolarHBondContact N-OD1 2.95Å; D24-N28 PolarHBondContact O-ND2 3.12Å; N28-F1140 WeakPolarHBondContact CB-O 3.16Å; N28-F1140 PolarHBondContact N-O 3.44Å; N28-F1140 PolarHBondContact ND2-O 3.41Å; N28-V1141 WeakPolarHBondContact O-CA 3.37Å; N28-V1142 PolarHBondContact O-N 3.08Å; N28-V1155 WeakPolarHBondContact CA-O 3.36Å; N28-F1157 HydrophobicContact CB-CE2 4.23Å |
| 29 | A | 91.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1142 F1150 A1153 V1155 L1156 F1157 | A29-V1142 CarbonylContact C-O 3.41Å; A29-V1142 VanDerWaalsContact CA-O 3.31Å; A29-V1142 WeakPolarHBondContact CA-O 3.26Å; A29-F1150 HydrophobicContact CB-CB 3.56Å; A29-A1153 HydrophobicContact CB-CB 3.48Å; A29-A1153 VanDerWaalsContact CB-CB 3.48Å; A29-V1155 PolarHBondContact N-O 3.35Å; A29-L1156 HydrophobicContact CB-CD1 3.82Å; A29-L1156 CarbonylContact O-C 3.57Å; A29-L1156 WeakPolarHBondContact O-CA 3.46Å; A29-F1157 PolarHBondContact O-N 2.94Å |
| 30 | I | 91.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.6 | 176.1 | -55.3 | 175.1 | 0 | 0 | 0 | 108 | K38 I41 L42 V1141 V1142 V1143 S1144 F1157 T1159 | I30-K38 HydrophobicContact CG2-CB 4.27Å; I30-K38 HydrophobicContact CG2-CG 4.5Å; I30-I41 HydrophobicContact CD1-CB 4.21Å; I30-I41 HydrophobicContact CD1-CD1 4.34Å; I30-I41 HydrophobicContact CD1-CG2 3.9Å; I30-I41 HydrophobicContact CG2-CD1 4.04Å; I30-L42 HydrophobicContact CD1-CD2 4.28Å; I30-V1141 HydrophobicContact CD1-CG1 3.77Å; I30-V1141 HydrophobicContact CG1-CG1 4.4Å; I30-V1142 PolarHBondContact N-O 3.26Å; I30-V1143 HydrophobicContact CB-CG2 3.93Å; I30-V1143 HydrophobicContact CD1-CG2 4.22Å; I30-V1143 HydrophobicContact CG2-CG2 4.3Å; I30-S1144 PolarHBondContact O-N 3.47Å; I30-F1157 CarbonylContact C-O 3.55Å; I30-F1157 WeakPolarHBondContact CA-O 3.5Å; I30-F1157 HydrophobicContact CG1-CB 4.18Å; I30-F1157 HydrophobicContact CG1-CD2 4.28Å; I30-T1159 HydrophobicContact CG2-CG2 4.09Å |
| 31 | T | 90.3 | Very high | 87.8 | Confident | 17 Ų | 17 | 34.8 Ų | 34.8 | 10% | 0.104 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 169.1 | -178.7 | -167 | 0 | 0 | 0 | 0 | 112.2 | S1144 L1156 F1157 K1158 T1159 | T31-S1144 PolarHBondContact OG1-O 3.38Å; T31-L1156 HydrophobicContact CG2-CD1 3.63Å; T31-L1156 HydrophobicContact CG2-CD2 4.13Å; T31-L1156 HydrophobicContact CG2-CG 4.02Å; T31-F1157 PolarHBondContact N-O 3.13Å; T31-K1158 HydrophobicContact CG2-CG 3.85Å; T31-K1158 WeakPolarHBondContact O-CA 3.29Å; T31-T1159 PolarHBondContact O-N 3.16Å; T31-T1159 PolarHBondContact O-OG1 2.61Å |
| 32 | G | 86.1 | Confident | 87.7 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 19% | 0.186 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.9 | 169.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K38 L1145 | G32-K38 WeakPolarHBondContact O-CD 3.24Å; G32-K38 PolarHBondContact O-NZ 2.74Å; G32-L1145 VanDerWaalsContact O-CD2 3.26Å; G32-L1145 WeakPolarHBondContact O-CD2 3.1Å |
| 33 | L | 83.9 | Confident | 87.7 | Confident | 149 Ų | 149 | 29.9 Ų | 29.9 | 78% | 0.78 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -64.6 | 154.7 | 179.1 | -65.4 | 174 | 0 | 0 | 0 | 112.2 | G35 S36 K38 | L33-G35 PolarHBondContact O-N 2.86Å; L33-S36 WeakPolarHBondContact O-CB 3.47Å; L33-S36 PolarHBondContact O-N 2.75Å; L33-S36 VanDerWaalsContact O-N 3.08Å; L33-S36 PolarHBondContact O-OG 3.4Å; L33-K38 PolarHBondContact O-NZ 3.17Å |
| 34 | N | 82.6 | Confident | 87.7 | Confident | 129 Ų | 129 | 29.2 Ų | 29.2 | 69% | 0.69 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 135.2 | 177 | -72.1 | -11.9 | 0 | 0 | 0 | 110.9 | S36 K38 L1145 | N34-S36 VanDerWaalsContact C-N 3.34Å; N34-S36 PolarHBondContact O-N 3.19Å; N34-K38 PolarHBondContact OD1-NZ 2.78Å; N34-L1145 VanDerWaalsContact OD1-CD1 3.28Å; N34-L1145 WeakPolarHBondContact OD1-CD1 3.19Å |
| 35 | G | 78.4 | Confident | 87.7 | Confident | 70 Ų | 70 | 27.5 Ų | 27.5 | 72% | 0.722 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 0.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | L33 G37 | L33-G35 PolarHBondContact O-N 2.86Å; G35-G37 PolarHBondContact O-N 3.36Å; G35-G37 VanDerWaalsContact O-N 3.15Å |
| 36 | S | 83.7 | Confident | 87.7 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -71.9 | -4.3 | -177.9 | 65.3 | 0 | 0 | 0 | 0 | 115.9 | L33 N34 K38 T1159 S1166 | L33-S36 WeakPolarHBondContact O-CB 3.47Å; L33-S36 PolarHBondContact O-N 2.75Å; L33-S36 VanDerWaalsContact O-N 3.08Å; L33-S36 PolarHBondContact O-OG 3.4Å; N34-S36 VanDerWaalsContact C-N 3.34Å; N34-S36 PolarHBondContact O-N 3.19Å; S36-K38 WeakPolarHBondContact OG-CG 3.2Å; S36-T1159 PolarHBondContact OG-OG1 3.28Å; S36-S1166 WeakPolarHBondContact O-CB 3.4Å; S36-S1166 PolarHBondContact O-OG 3.26Å |
| 37 | G | 82.9 | Confident | 87.8 | Confident | 6 Ų | 6 | 21.5 Ų | 21.5 | 6% | 0.062 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 95.8 | 11.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y14 G35 S39 N40 S1166 | Y14-G37 PolarHBondContact OH-O 2.99Å; G35-G37 PolarHBondContact O-N 3.36Å; G35-G37 VanDerWaalsContact O-N 3.15Å; G37-S39 PolarHBondContact O-N 3.14Å; G37-N40 WeakPolarHBondContact O-CB 3.3Å; G37-N40 PolarHBondContact O-N 3.29Å; G37-N40 VanDerWaalsContact O-N 3.12Å; G37-S1166 WeakPolarHBondContact CA-OG 3.13Å |
| 38 | K | 87.6 | Confident | 88 | Confident | 9 Ų | 9 | 21.3 Ų | 21.3 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -48.6 | -58.5 | 178.4 | -60.2 | 178.3 | -66.6 | -92.4 | 0 | 113.5 | I30 G32 L33 N34 S36 N40 I41 V1143 L1145 T1159 | I30-K38 HydrophobicContact CG2-CB 4.27Å; I30-K38 HydrophobicContact CG2-CG 4.5Å; G32-K38 WeakPolarHBondContact O-CD 3.24Å; G32-K38 PolarHBondContact O-NZ 2.74Å; L33-K38 PolarHBondContact O-NZ 3.17Å; N34-K38 PolarHBondContact OD1-NZ 2.78Å; S36-K38 WeakPolarHBondContact OG-CG 3.2Å; K38-N40 PolarHBondContact O-N 3.38Å; K38-I41 WeakPolarHBondContact O-CB 3.44Å; K38-I41 PolarHBondContact O-N 3.36Å; K38-I41 VanDerWaalsContact O-N 3.13Å; K38-V1143 HydrophobicContact CB-CG1 4.12Å; K38-V1143 HydrophobicContact CD-CG1 4.46Å; K38-L1145 HydrophobicContact CD-CD2 4.27Å; K38-T1159 HydrophobicContact CG-CG2 4.3Å; K38-T1159 WeakPolarHBondContact CG-OG1 3.39Å |
| 39 | S | 87.3 | Confident | 87.8 | Confident | 10 Ų | 10 | 21.6 Ų | 21.6 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.7 | -20.5 | -177 | -49.2 | 0 | 0 | 0 | 0 | 112.5 | G37 I41 L42 D43 R58 | G37-S39 PolarHBondContact O-N 3.14Å; S39-I41 PolarHBondContact O-N 3.43Å; S39-L42 PolarHBondContact O-N 3.32Å; S39-L42 VanDerWaalsContact O-N 3.08Å; S39-D43 VanDerWaalsContact O-CG 3.24Å; S39-D43 PolarHBondContact O-N 3.5Å; S39-R58 PolarHBondContact OG-NH1 2.99Å; S39-R58 PolarHBondContact OG-NH2 2.76Å |
| 40 | N | 89.7 | Confident | 87.4 | Confident | 30 Ų | 30 | 21.8 Ų | 21.8 | 16% | 0.16 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.8 | -24.9 | 175.3 | -65 | -17.6 | 0 | 0 | 0 | 111.8 | K12 S13 Y14 G37 K38 S44 | K12-N40 HydrophobicContact CB-CB 4.4Å; K12-N40 HydrophobicContact CD-CB 4.29Å; K12-N40 WeakPolarHBondContact CD-OD1 3.26Å; S13-N40 PolarHBondContact OG-ND2 3.31Å; Y14-N40 HydrophobicContact CD2-CB 4.41Å; Y14-N40 HydrophobicContact CE2-CB 3.89Å; G37-N40 WeakPolarHBondContact O-CB 3.3Å; G37-N40 PolarHBondContact O-N 3.29Å; G37-N40 VanDerWaalsContact O-N 3.12Å; K38-N40 PolarHBondContact O-N 3.38Å; N40-S44 WeakPolarHBondContact O-CB 3.3Å; N40-S44 PolarHBondContact O-N 2.92Å |
| 41 | I | 90.8 | Very high | 87 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -46 | 171.4 | -57.9 | 171.8 | 0 | 0 | 0 | 109.8 | I6 Y14 I20 I30 K38 S39 S44 I45 T1159 V1168 | I6-I41 HydrophobicContact CD1-CG2 4.5Å; Y14-I41 HydrophobicContact CE2-CG1 4.26Å; Y14-I41 WeakPolarHBondContact OH-CD1 3.43Å; Y14-I41 WeakPolarHBondContact OH-CG1 3.14Å; I20-I41 HydrophobicContact CD1-CD1 3.93Å; I20-I41 HydrophobicContact CD1-CG1 3.97Å; I20-I41 HydrophobicContact CD1-CG2 3.88Å; I30-I41 HydrophobicContact CD1-CB 4.21Å; I30-I41 HydrophobicContact CD1-CD1 4.34Å; I30-I41 HydrophobicContact CD1-CG2 3.9Å; I30-I41 HydrophobicContact CG2-CD1 4.04Å; K38-I41 WeakPolarHBondContact O-CB 3.44Å; K38-I41 PolarHBondContact O-N 3.36Å; K38-I41 VanDerWaalsContact O-N 3.13Å; S39-I41 PolarHBondContact O-N 3.43Å; I41-S44 WeakPolarHBondContact O-CB 3.07Å; I41-S44 PolarHBondContact O-N 3.48Å; I41-S44 PolarHBondContact O-OG 3.31Å; I41-I45 PolarHBondContact O-N 3.48Å; I41-T1159 HydrophobicContact CD1-CG2 3.71Å; I41-V1168 HydrophobicContact CD1-CG1 4.48Å; I41-V1168 HydrophobicContact CD1-CG2 3.89Å |
| 42 | L | 88.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.1 | -62.4 | -170.3 | 0 | 0 | 0 | 111.9 | I30 S39 S44 I45 C46 I1111 D1113 V1141 V1143 | I30-L42 HydrophobicContact CD1-CD2 4.28Å; S39-L42 PolarHBondContact O-N 3.32Å; S39-L42 VanDerWaalsContact O-N 3.08Å; L42-S44 PolarHBondContact O-N 3.03Å; L42-I45 HydrophobicContact CD2-CD1 4.33Å; L42-I45 PolarHBondContact O-N 3.49Å; L42-I45 VanDerWaalsContact O-N 3.11Å; L42-C46 PolarHBondContact O-N 3.48Å; L42-C46 PolarHBondContact O-SG 3.34Å; L42-I1111 HydrophobicContact CB-CG2 4.49Å; L42-I1111 HydrophobicContact CD1-CG2 3.92Å; L42-I1111 HydrophobicContact CD2-CG2 3.61Å; L42-I1111 HydrophobicContact CG-CG2 4.22Å; L42-D1113 HydrophobicContact CD1-CB 3.63Å; L42-V1141 HydrophobicContact CD2-CG1 3.83Å; L42-V1143 HydrophobicContact CD1-CB 3.96Å; L42-V1143 HydrophobicContact CD1-CG2 3.35Å; L42-V1143 HydrophobicContact CD2-CG2 4.13Å; L42-V1143 HydrophobicContact CG-CG2 3.57Å |
| 43 | D | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.6 | -35 | 174.8 | -67.7 | -31 | 0 | 0 | 0 | 111.2 | F11 K12 S39 C46 F47 V57 | F11-D43 HydrophobicContact CE1-CB 4.18Å; F11-D43 HydrophobicContact CZ-CB 4.32Å; K12-D43 IonicContact NZ-OD2 2.74Å; K12-D43 PolarHBondContact NZ-OD2 3.24Å; S39-D43 VanDerWaalsContact O-CG 3.24Å; S39-D43 PolarHBondContact O-N 3.5Å; D43-C46 PolarHBondContact O-N 2.89Å; D43-F47 WeakPolarHBondContact O-CB 3.28Å; D43-F47 PolarHBondContact O-N 3.5Å; D43-V57 HydrophobicContact CB-CG1 3.93Å |
| 44 | S | 91.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 175.7 | 82.4 | 0 | 0 | 0 | 0 | 112 | I8 N40 I41 L42 F47 L48 | I8-S44 WeakPolarHBondContact CD1-OG 3.31Å; N40-S44 WeakPolarHBondContact O-CB 3.3Å; N40-S44 PolarHBondContact O-N 2.92Å; I41-S44 WeakPolarHBondContact O-CB 3.07Å; I41-S44 PolarHBondContact O-N 3.48Å; I41-S44 PolarHBondContact O-OG 3.31Å; L42-S44 PolarHBondContact O-N 3.03Å; S44-F47 PolarHBondContact O-N 2.86Å; S44-L48 WeakPolarHBondContact O-CB 3.32Å; S44-L48 PolarHBondContact O-N 3.43Å |
| 45 | I | 90.2 | Very high | 85.3 | Confident | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.9 | -47.1 | 175.6 | -58 | 166.6 | 0 | 0 | 0 | 109.9 | I3 I6 I41 L42 F47 L48 L49 I81 I1111 | I3-I45 HydrophobicContact CD1-CD1 4.26Å; I3-I45 HydrophobicContact CD1-CG2 4.49Å; I6-I45 HydrophobicContact CD1-CD1 3.77Å; I6-I45 HydrophobicContact CD1-CG1 3.71Å; I41-I45 PolarHBondContact O-N 3.48Å; L42-I45 HydrophobicContact CD2-CD1 4.33Å; L42-I45 PolarHBondContact O-N 3.49Å; L42-I45 VanDerWaalsContact O-N 3.11Å; I45-F47 VanDerWaalsContact C-N 3.33Å; I45-F47 PolarHBondContact O-N 2.92Å; I45-L48 PolarHBondContact O-N 3.45Å; I45-L49 HydrophobicContact CG2-CD1 3.9Å; I45-L49 HydrophobicContact CG2-CG 4.32Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.16Å; I45-L49 PolarHBondContact O-N 3.41Å; I45-I81 HydrophobicContact CB-CD1 4.18Å; I45-I81 HydrophobicContact CG1-CD1 3.93Å; I45-I81 HydrophobicContact CG2-CD1 4.12Å; I45-I1111 HydrophobicContact CB-CD1 4.26Å; I45-I1111 HydrophobicContact CD1-CD1 4.49Å; I45-I1111 HydrophobicContact CG2-CD1 3.6Å |
| 46 | C | 88.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 177.9 | -68 | 0 | 0 | 0 | 0 | 112.3 | L42 D43 L49 G50 I51 V57 M146 | L42-C46 PolarHBondContact O-N 3.48Å; L42-C46 PolarHBondContact O-SG 3.34Å; D43-C46 PolarHBondContact O-N 2.89Å; C46-L49 PolarHBondContact O-N 2.86Å; C46-G50 PolarHBondContact O-N 3.29Å; C46-I51 HydrophobicContact CB-CD1 3.82Å; C46-I51 PolarHBondContact O-N 3.06Å; C46-V57 HydrophobicContact CB-CG2 4.07Å; C46-M146 VanDerWaalsContact SG-CE 3.52Å |
| 47 | F | 90.4 | Very high | 85 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 173.6 | 171.8 | -110.6 | 0 | 0 | 0 | 110.6 | F11 D43 S44 I45 L49 G50 V57 L62 L65 V79 R105 V107 | F11-F47 HydrophobicContact CD2-CD1 4.34Å; F11-F47 HydrophobicContact CE2-CB 3.97Å; F11-F47 AromaticContact CE2-CD1 3.7Å; F11-F47 HydrophobicContact CE2-CD1 3.7Å; F11-F47 HydrophobicContact CE2-CD2 4.48Å; F11-F47 HydrophobicContact CE2-CE1 4.29Å; F11-F47 AromaticContact CE2-CG 3.8Å; F11-F47 HydrophobicContact CE2-CG 3.8Å; F11-F47 HydrophobicContact CZ-CB 4.03Å; F11-F47 HydrophobicContact CZ-CG 4.37Å; D43-F47 WeakPolarHBondContact O-CB 3.28Å; D43-F47 PolarHBondContact O-N 3.5Å; S44-F47 PolarHBondContact O-N 2.86Å; I45-F47 VanDerWaalsContact C-N 3.33Å; I45-F47 PolarHBondContact O-N 2.92Å; F47-L49 PolarHBondContact O-N 3.34Å; F47-G50 PolarHBondContact O-N 3.05Å; F47-V57 HydrophobicContact CB-CG1 4.27Å; F47-L62 HydrophobicContact CD2-CD2 4.35Å; F47-L62 HydrophobicContact CE2-CD2 4.02Å; F47-L65 HydrophobicContact CD2-CD1 3.36Å; F47-L65 HydrophobicContact CE2-CD1 3.72Å; F47-L65 HydrophobicContact CG-CD1 4.09Å; F47-V79 HydrophobicContact CD1-CB 4.09Å; F47-V79 HydrophobicContact CD1-CG2 3.73Å; F47-V79 HydrophobicContact CE1-CB 4.41Å; F47-V79 HydrophobicContact CE1-CG2 4.12Å; F47-R105 HydrophobicContact CD1-CB 4.33Å; F47-R105 HydrophobicContact CD1-CG 4.46Å; F47-R105 HydrophobicContact CE1-CB 3.84Å; F47-R105 HydrophobicContact CE1-CG 3.81Å; F47-R105 HydrophobicContact CE2-CG 4.26Å; F47-R105 HydrophobicContact CZ-CB 4.25Å; F47-R105 HydrophobicContact CZ-CG 3.7Å; F47-R105 WeakPolarHBondContact O-CD 3.41Å; F47-R105 PolarHBondContact O-NH1 3.49Å; F47-V107 HydrophobicContact CE2-CB 4.49Å; F47-V107 HydrophobicContact CE2-CG1 4.27Å; F47-V107 HydrophobicContact CZ-CB 4.06Å; F47-V107 HydrophobicContact CZ-CG1 3.75Å |
| 48 | L | 91.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 179 | -178.7 | 145.6 | 0 | 0 | 0 | 112.4 | S44 I45 G50 V79 I81 F83 V103 Y115 F131 | S44-L48 WeakPolarHBondContact O-CB 3.32Å; S44-L48 PolarHBondContact O-N 3.43Å; I45-L48 PolarHBondContact O-N 3.45Å; L48-G50 PolarHBondContact O-N 2.71Å; L48-G50 VanDerWaalsContact O-N 3.13Å; L48-V79 HydrophobicContact CB-CG1 4.23Å; L48-V79 HydrophobicContact CD1-CG1 4.15Å; L48-I81 HydrophobicContact CB-CD1 4.06Å; L48-I81 HydrophobicContact CD1-CB 3.72Å; L48-I81 HydrophobicContact CD1-CD1 3.8Å; L48-I81 HydrophobicContact CD1-CG1 3.63Å; L48-I81 HydrophobicContact CD2-CB 4.36Å; L48-I81 HydrophobicContact CD2-CD1 4.01Å; L48-I81 HydrophobicContact CG-CD1 4.17Å; L48-F83 HydrophobicContact CD2-CE2 4.37Å; L48-F83 HydrophobicContact CD2-CZ 4.45Å; L48-V103 HydrophobicContact CD1-CB 4.43Å; L48-V103 HydrophobicContact CD1-CG1 4.44Å; L48-V103 WeakPolarHBondContact CD1-O 3.34Å; L48-V103 HydrophobicContact CD2-CB 4.04Å; L48-V103 HydrophobicContact CD2-CG1 3.85Å; L48-V103 HydrophobicContact CG-CG1 4.14Å; L48-Y115 VanDerWaalsContact O-CE1 3.28Å; L48-Y115 WeakPolarHBondContact O-CE1 3.25Å; L48-Y115 PolarHBondContact O-OH 2.87Å; L48-F131 HydrophobicContact CD2-CE2 4.32Å; L48-F131 HydrophobicContact CD2-CZ 3.85Å |
| 49 | L | 87.3 | Confident | 85 | Confident | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61 | -25.1 | -179.3 | -71.1 | 172.2 | 0 | 0 | 0 | 112.7 | I45 C46 F47 F131 V138 F143 | I45-L49 HydrophobicContact CG2-CD1 3.9Å; I45-L49 HydrophobicContact CG2-CG 4.32Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.16Å; I45-L49 PolarHBondContact O-N 3.41Å; C46-L49 PolarHBondContact O-N 2.86Å; F47-L49 PolarHBondContact O-N 3.34Å; L49-F131 HydrophobicContact CD2-CD1 3.98Å; L49-F131 HydrophobicContact CD2-CD2 4.04Å; L49-F131 HydrophobicContact CD2-CE1 3.82Å; L49-F131 HydrophobicContact CD2-CE2 3.86Å; L49-F131 HydrophobicContact CD2-CG 4.11Å; L49-F131 HydrophobicContact CD2-CZ 3.76Å; L49-V138 HydrophobicContact CB-CG2 4.49Å; L49-V138 WeakPolarHBondContact O-CG1 3.24Å; L49-V138 WeakPolarHBondContact O-CG2 3.45Å; L49-F143 HydrophobicContact CD1-CE2 3.52Å; L49-F143 HydrophobicContact CD1-CZ 3.74Å |
| 50 | G | 83.8 | Confident | 84.9 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | 28.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | C46 F47 L48 S52 Y115 V138 | C46-G50 PolarHBondContact O-N 3.29Å; F47-G50 PolarHBondContact O-N 3.05Å; L48-G50 PolarHBondContact O-N 2.71Å; L48-G50 VanDerWaalsContact O-N 3.13Å; G50-S52 PolarHBondContact O-N 2.85Å; G50-Y115 WeakPolarHBondContact CA-OH 3.36Å; G50-Y115 PolarHBondContact N-OH 3.14Å; G50-V138 WeakPolarHBondContact O-CG1 3.26Å |
| 51 | I | 82 | Confident | 84.7 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | trans | -60.4 | 123.6 | 178.4 | -61.5 | 176.6 | 0 | 0 | 0 | 109.1 | C46 H56 V138 P141 L144 | C46-I51 HydrophobicContact CB-CD1 3.82Å; C46-I51 PolarHBondContact O-N 3.06Å; I51-H56 HydrophobicContact CG2-CB 4.31Å; I51-V138 HydrophobicContact CG1-CG1 4.1Å; I51-P141 HydrophobicContact CD1-CG 4.4Å; I51-L144 HydrophobicContact CD1-CD2 3.48Å; I51-L144 VanDerWaalsContact CD1-CD2 3.48Å | ||
| 52 | S | 72.9 | Confident | 84.4 | Confident | 94 Ų | 94 | 34.3 Ų | 34.3 | 66% | 0.657 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -74.9 | -29.9 | -174.4 | 52.4 | 0 | 0 | 0 | 0 | 113 | G50 L54 | G50-S52 PolarHBondContact O-N 2.85Å; S52-L54 PolarHBondContact O-N 3.32Å |
| 53 | N | 77.7 | Confident | 84.3 | Confident | 69 Ų | 69 | 38.3 Ų | 38.3 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | trans | -83.7 | 100.7 | 177.9 | -173.7 | 10.3 | 0 | 0 | 0 | 111.2 | T55 H56 | N53-T55 VanDerWaalsContact CG-OG1 3.25Å; N53-T55 PolarHBondContact ND2-OG1 3.45Å; N53-T55 PolarHBondContact O-N 3.2Å; N53-T55 PolarHBondContact OD1-N 3.14Å; N53-T55 PolarHBondContact OD1-OG1 2.73Å; N53-H56 PolarHBondContact ND2-CD2 3.47Å; N53-H56 PolarHBondContact ND2-NE2 3.07Å; N53-H56 WeakPolarHBondContact O-CB 3.3Å; N53-H56 PolarHBondContact O-N 3.35Å; N53-H56 VanDerWaalsContact O-N 3.12Å | ||
| 54 | L | 78.8 | Confident | 84.2 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -65.4 | -19.6 | -176.5 | -63 | 175.3 | 0 | 0 | 0 | 113.7 | S52 H56 V57 R58 A59 L62 | S52-L54 PolarHBondContact O-N 3.32Å; L54-H56 PolarHBondContact O-N 3.32Å; L54-V57 CarbonylContact O-C 3.46Å; L54-V57 PolarHBondContact O-N 2.78Å; L54-R58 PolarHBondContact O-N 3.09Å; L54-A59 CarbonylContact C-O 3.59Å; L54-A59 VanDerWaalsContact C-O 3.26Å; L54-A59 VanDerWaalsContact CB-O 3.31Å; L54-A59 WeakPolarHBondContact CB-O 3.37Å; L54-A59 PolarHBondContact O-N 3.35Å; L54-L62 HydrophobicContact CD1-CG 4.2Å; L54-L62 HydrophobicContact CD2-CD2 3.66Å; L54-L62 HydrophobicContact CD2-CG 3.97Å |
| 55 | T | 79.6 | Confident | 84.1 | Confident | 97 Ų | 97 | 40.7 Ų | 40.7 | 60% | 0.595 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -61.4 | -31.8 | 173.5 | 66.2 | 0 | 0 | 0 | 0 | 111.6 | N53 V57 R58 | N53-T55 VanDerWaalsContact CG-OG1 3.25Å; N53-T55 PolarHBondContact ND2-OG1 3.45Å; N53-T55 PolarHBondContact O-N 3.2Å; N53-T55 PolarHBondContact OD1-N 3.14Å; N53-T55 PolarHBondContact OD1-OG1 2.73Å; T55-V57 VanDerWaalsContact C-N 3.27Å; T55-V57 PolarHBondContact O-N 2.71Å; T55-R58 PolarHBondContact O-N 3.5Å |
| 56 | H | 76.1 | Confident | 84.2 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 26% | 0.255 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -70.5 | -23.4 | 175.3 | -65.8 | -44.1 | 0 | 0 | 0 | 112.8 | I51 N53 L54 R58 M146 | I51-H56 HydrophobicContact CG2-CB 4.31Å; N53-H56 PolarHBondContact ND2-CD2 3.47Å; N53-H56 PolarHBondContact ND2-NE2 3.07Å; N53-H56 WeakPolarHBondContact O-CB 3.3Å; N53-H56 PolarHBondContact O-N 3.35Å; N53-H56 VanDerWaalsContact O-N 3.12Å; L54-H56 PolarHBondContact O-N 3.32Å; H56-R58 VanDerWaalsContact C-N 3.29Å; H56-M146 WeakPolarHBondContact O-CE 3.44Å |
| 57 | V | 79.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -95.1 | 11.4 | 175.2 | -162.3 | 0 | 0 | 0 | 0 | 110.7 | K12 D43 C46 F47 L54 T55 A59 L65 | K12-V57 PolarHBondContact NZ-O 3.23Å; D43-V57 HydrophobicContact CB-CG1 3.93Å; C46-V57 HydrophobicContact CB-CG2 4.07Å; F47-V57 HydrophobicContact CB-CG1 4.27Å; L54-V57 CarbonylContact O-C 3.46Å; L54-V57 PolarHBondContact O-N 2.78Å; T55-V57 VanDerWaalsContact C-N 3.27Å; T55-V57 PolarHBondContact O-N 2.71Å; V57-A59 VanDerWaalsContact C-N 3.26Å; V57-A59 PolarHBondContact O-N 3.41Å; V57-L65 HydrophobicContact CG1-CD1 4.33Å; V57-L65 HydrophobicContact CG1-CD2 3.85Å |
| 58 | R | 85.4 | Confident | 84 | Confident | 107 Ų | 107 | 47.6 Ų | 47.6 | 40% | 0.404 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 44.1 | 180 | -52.6 | 171.3 | -177.1 | -163.9 | 0.9 | 112.2 | S39 L54 T55 H56 D1113 | S39-R58 PolarHBondContact OG-NH1 2.99Å; S39-R58 PolarHBondContact OG-NH2 2.76Å; L54-R58 PolarHBondContact O-N 3.09Å; T55-R58 PolarHBondContact O-N 3.5Å; H56-R58 VanDerWaalsContact C-N 3.29Å; R58-D1113 IonicContact CZ-OD2 2.77Å; R58-D1113 VanDerWaalsContact NH2-CG 3.32Å; R58-D1113 IonicContact NH2-OD1 3.79Å; R58-D1113 PolarHBondContact NH2-OD1 3.46Å; R58-D1113 IonicContact NH2-OD2 3.95Å; R58-D1113 PolarHBondContact NH2-OD2 3.03Å |
| 59 | A | 84.5 | Confident | 83.6 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | trans | -139.4 | 147.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L54 V57 D64 L65 | L54-A59 CarbonylContact C-O 3.59Å; L54-A59 VanDerWaalsContact C-O 3.26Å; L54-A59 VanDerWaalsContact CB-O 3.31Å; L54-A59 WeakPolarHBondContact CB-O 3.37Å; L54-A59 PolarHBondContact O-N 3.35Å; V57-A59 VanDerWaalsContact C-N 3.26Å; V57-A59 PolarHBondContact O-N 3.41Å; A59-D64 HydrophobicContact CB-CB 4.19Å; A59-L65 HydrophobicContact CB-CD2 3.66Å; A59-L65 HydrophobicContact CB-CG 4.21Å | ||
| 60 | S | 84.4 | Confident | 83.2 | Confident | 102 Ų | 102 | 52.2 Ų | 52.2 | 71% | 0.713 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -87.7 | -36.7 | 174.6 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | D64 | S60-D64 PolarHBondContact N-OD2 3.26Å; S60-D64 VanDerWaalsContact N-OD2 3.1Å; S60-D64 PolarHBondContact OG-OD2 3.18Å |
| 61 | N | 85.9 | Confident | 83 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 46% | 0.46 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -134.7 | 154.5 | -178.4 | -147 | -11.6 | 0 | 0 | 0 | 110.5 | Q63 D64 | N61-Q63 PolarHBondContact O-N 3.35Å; N61-D64 PolarHBondContact N-OD2 3.48Å; N61-D64 WeakPolarHBondContact O-CB 3.45Å; N61-D64 PolarHBondContact O-N 3.06Å; N61-D64 VanDerWaalsContact O-N 3.08Å |
| 62 | L | 85.3 | Confident | 82.6 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -64.9 | -23 | -178.7 | -77.2 | 163.6 | 0 | 0 | 0 | 113 | F47 L54 D64 L65 V107 N113 | F47-L62 HydrophobicContact CD2-CD2 4.35Å; F47-L62 HydrophobicContact CE2-CD2 4.02Å; L54-L62 HydrophobicContact CD1-CG 4.2Å; L54-L62 HydrophobicContact CD2-CD2 3.66Å; L54-L62 HydrophobicContact CD2-CG 3.97Å; L62-D64 VanDerWaalsContact C-N 3.29Å; L62-L65 HydrophobicContact CD2-CD1 3.97Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.03Å; L62-V107 HydrophobicContact CB-CG2 4.33Å; L62-N113 VanDerWaalsContact CD1-ND2 3.31Å; L62-N113 WeakPolarHBondContact CD1-ND2 3.15Å |
| 63 | Q | 85.9 | Confident | 83 | Confident | 84 Ų | 84 | 60.9 Ų | 60.9 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -71 | -25.9 | 176.6 | -60.2 | -178.6 | 10 | 0 | 0 | 112.3 | N61 L65 V66 | N61-Q63 PolarHBondContact O-N 3.35Å; Q63-L65 PolarHBondContact O-N 3.48Å; Q63-L65 VanDerWaalsContact O-N 3.16Å; Q63-V66 WeakPolarHBondContact O-CB 3.28Å; Q63-V66 PolarHBondContact O-N 3.5Å; Q63-V66 VanDerWaalsContact O-N 3.07Å |
| 64 | D | 87.6 | Confident | 83.5 | Confident | 50 Ų | 50 | 59.8 Ų | 59.8 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -66.3 | -16.1 | 177.5 | -54.5 | -18.5 | 0 | 0 | 0 | 112.2 | A59 S60 N61 L62 V66 N69 | A59-D64 HydrophobicContact CB-CB 4.19Å; S60-D64 PolarHBondContact N-OD2 3.26Å; S60-D64 VanDerWaalsContact N-OD2 3.1Å; S60-D64 PolarHBondContact OG-OD2 3.18Å; N61-D64 PolarHBondContact N-OD2 3.48Å; N61-D64 WeakPolarHBondContact O-CB 3.45Å; N61-D64 PolarHBondContact O-N 3.06Å; N61-D64 VanDerWaalsContact O-N 3.08Å; L62-D64 VanDerWaalsContact C-N 3.29Å; D64-V66 VanDerWaalsContact C-N 3.3Å; D64-N69 WeakPolarHBondContact CA-OD1 3.41Å |
| 65 | L | 89.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -79.8 | -14.6 | 177.3 | -58.1 | 179 | 0 | 0 | 0 | 112.4 | F11 K12 F47 V57 A59 L62 Q63 | F11-L65 CarbonylContact C-O 3.55Å; F11-L65 WeakPolarHBondContact CA-O 3.23Å; F11-L65 HydrophobicContact CD2-CB 4.26Å; F11-L65 HydrophobicContact CE2-CB 3.86Å; F11-L65 HydrophobicContact CE2-CD1 4.22Å; F11-L65 HydrophobicContact CE2-CD2 4.31Å; F11-L65 HydrophobicContact CE2-CG 4.37Å; F11-L65 HydrophobicContact CZ-CD2 4.17Å; K12-L65 HydrophobicContact CD-CD2 4.49Å; K12-L65 HydrophobicContact CG-CD2 4.44Å; K12-L65 PolarHBondContact N-O 2.91Å; F47-L65 HydrophobicContact CD2-CD1 3.36Å; F47-L65 HydrophobicContact CE2-CD1 3.72Å; F47-L65 HydrophobicContact CG-CD1 4.09Å; V57-L65 HydrophobicContact CG1-CD1 4.33Å; V57-L65 HydrophobicContact CG1-CD2 3.85Å; A59-L65 HydrophobicContact CB-CD2 3.66Å; A59-L65 HydrophobicContact CB-CG 4.21Å; L62-L65 HydrophobicContact CD2-CD1 3.97Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.03Å; Q63-L65 PolarHBondContact O-N 3.48Å; Q63-L65 VanDerWaalsContact O-N 3.16Å |
| 66 | V | 90.8 | Very high | 84.6 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -81.2 | 138.1 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | Q63 D64 K68 N69 I74 A77 V107 I109 | Q63-V66 WeakPolarHBondContact O-CB 3.28Å; Q63-V66 PolarHBondContact O-N 3.5Å; Q63-V66 VanDerWaalsContact O-N 3.07Å; D64-V66 VanDerWaalsContact C-N 3.3Å; V66-K68 PolarHBondContact O-N 3.17Å; V66-K68 VanDerWaalsContact O-N 3.14Å; V66-N69 PolarHBondContact O-N 3.41Å; V66-I74 WeakPolarHBondContact CG1-O 3.3Å; V66-A77 HydrophobicContact CG2-CB 4.06Å; V66-V107 HydrophobicContact CG2-CG1 4Å; V66-I109 HydrophobicContact CB-CD1 4.11Å; V66-I109 HydrophobicContact CB-CG1 4.18Å; V66-I109 HydrophobicContact CG1-CD1 3.88Å; V66-I109 HydrophobicContact CG1-CG1 4.21Å; V66-I109 HydrophobicContact CG2-CD1 4.44Å; V66-I109 HydrophobicContact CG2-CG1 3.97Å |
| 67 | Y | 90.1 | Very high | 85.5 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -49.7 | 121 | -178.3 | 177.6 | -97.7 | 0 | 0 | 0 | 111.9 | G10 K12 A15 N69 G70 I74 | G10-Y67 PolarHBondContact O-N 3.11Å; K12-Y67 WeakPolarHBondContact O-CA 2.96Å; K12-Y67 WeakPolarHBondContact O-CD2 3.29Å; A15-Y67 HydrophobicContact CB-CD1 3.91Å; A15-Y67 HydrophobicContact CB-CD2 3.7Å; A15-Y67 HydrophobicContact CB-CE1 3.8Å; A15-Y67 HydrophobicContact CB-CE2 3.68Å; A15-Y67 HydrophobicContact CB-CG 3.85Å; Y67-N69 PolarHBondContact O-N 2.85Å; Y67-N69 VanDerWaalsContact O-N 3.13Å; Y67-G70 PolarHBondContact O-N 2.84Å; Y67-G70 VanDerWaalsContact O-N 3.11Å; Y67-I74 HydrophobicContact CD1-CD1 3.82Å; Y67-I74 HydrophobicContact CE1-CD1 4.44Å; Y67-I74 HydrophobicContact CG-CD1 4.31Å |
| 68 | K | 86.1 | Confident | 86.2 | Confident | 125 Ų | 125 | 58.6 Ų | 58.6 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | 48.7 | 34.3 | -175.8 | -65.5 | -175.7 | 174.2 | -178.8 | 0 | 114 | V66 G70 Q71 | V66-K68 PolarHBondContact O-N 3.17Å; V66-K68 VanDerWaalsContact O-N 3.14Å; K68-G70 PolarHBondContact O-N 2.88Å; K68-Q71 WeakPolarHBondContact O-CB 3.45Å; K68-Q71 PolarHBondContact O-N 3.01Å |
| 69 | N | 81.9 | Confident | 86.7 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | 51.5 | 29.9 | -178.4 | -57.8 | -6.5 | 0 | 0 | 0 | 113.3 | D64 V66 Y67 Q71 I109 | D64-N69 WeakPolarHBondContact CA-OD1 3.41Å; V66-N69 PolarHBondContact O-N 3.41Å; Y67-N69 PolarHBondContact O-N 2.85Å; Y67-N69 VanDerWaalsContact O-N 3.13Å; N69-Q71 VanDerWaalsContact C-N 3.35Å; N69-Q71 PolarHBondContact O-N 3.5Å; N69-I109 VanDerWaalsContact C-CD1 3.46Å; N69-I109 WeakPolarHBondContact O-CD1 3.18Å |
| 70 | G | 79.4 | Confident | 87.2 | Confident | 18 Ų | 18 | 53.7 Ų | 53.7 | 19% | 0.186 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | 86.8 | -10.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y67 K68 G72 G73 I74 | Y67-G70 PolarHBondContact O-N 2.84Å; Y67-G70 VanDerWaalsContact O-N 3.11Å; K68-G70 PolarHBondContact O-N 2.88Å; G70-G72 PolarHBondContact O-N 3.43Å; G70-G73 PolarHBondContact O-N 2.93Å; G70-I74 WeakPolarHBondContact CA-O 3.41Å |
| 71 | Q | 79.3 | Confident | 87.8 | Confident | 178 Ų | 178 | 48.9 Ų | 48.9 | 83% | 0.832 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.2 | -179.5 | -62.9 | 179.7 | -8.5 | 0 | 0 | 112.6 | K68 N69 G73 | K68-Q71 WeakPolarHBondContact O-CB 3.45Å; K68-Q71 PolarHBondContact O-N 3.01Å; N69-Q71 VanDerWaalsContact C-N 3.35Å; N69-Q71 PolarHBondContact O-N 3.5Å; Q71-G73 VanDerWaalsContact C-N 3.31Å; Q71-G73 PolarHBondContact O-N 3.3Å |
| 72 | G | 72.7 | Confident | 88.2 | Confident | 41 Ų | 41 | 45.5 Ų | 45.5 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 14.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G70 I74 | G70-G72 PolarHBondContact O-N 3.43Å; G72-I74 VanDerWaalsContact C-N 3.25Å; G72-I74 PolarHBondContact O-N 3.41Å |
| 73 | G | 81.8 | Confident | 88.5 | Confident | 67 Ų | 67 | 44.1 Ų | 44.1 | 69% | 0.691 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 80.6 | -6.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G70 Q71 | G70-G73 PolarHBondContact O-N 2.93Å; Q71-G73 VanDerWaalsContact C-N 3.31Å; Q71-G73 PolarHBondContact O-N 3.3Å |
| 74 | I | 88.9 | Confident | 88.8 | Confident | 47 Ų | 47 | 41 Ų | 41 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | trans | -96.1 | 107 | 175.7 | -63.1 | 164.6 | 0 | 0 | 0 | 108.8 | A15 V66 Y67 G70 G72 K76 | A15-I74 HydrophobicContact CB-CD1 3.67Å; A15-I74 WeakPolarHBondContact O-CD1 3.47Å; V66-I74 WeakPolarHBondContact CG1-O 3.3Å; Y67-I74 HydrophobicContact CD1-CD1 3.82Å; Y67-I74 HydrophobicContact CE1-CD1 4.44Å; Y67-I74 HydrophobicContact CG-CD1 4.31Å; G70-I74 WeakPolarHBondContact CA-O 3.41Å; G72-I74 VanDerWaalsContact C-N 3.25Å; G72-I74 PolarHBondContact O-N 3.41Å; I74-K76 WeakPolarHBondContact CG2-O 3.36Å | ||
| 75 | T | 90.1 | Very high | 88.8 | Confident | 84 Ų | 84 | 38.7 Ų | 38.7 | 52% | 0.515 | 22% | 0.224 | S | C | . | . | trans | -97.9 | 0.2 | -173.9 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | V108 I109 | T75-V108 WeakPolarHBondContact O-CA 3.34Å; T75-I109 PolarHBondContact O-N 3.38Å | ||
| 76 | K | 91.9 | Very high | 88.6 | Confident | 77 Ų | 77 | 42.1 Ų | 42.1 | 34% | 0.335 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 136.8 | -175.8 | 178 | -176 | 179.8 | -160.5 | 0 | 110.3 | I74 T78 Q106 V107 V108 | I74-K76 WeakPolarHBondContact CG2-O 3.36Å; K76-T78 VanDerWaalsContact CE-OG1 3.24Å; K76-T78 WeakPolarHBondContact CE-OG1 3.48Å; K76-Q106 VanDerWaalsContact NZ-NE2 3.16Å; K76-Q106 VanDerWaalsContact NZ-OE1 3.09Å; K76-V107 WeakPolarHBondContact CA-O 3.11Å; K76-V108 HydrophobicContact CB-CG2 4.21Å; K76-V108 HydrophobicContact CD-CG2 4.3Å; K76-V108 HydrophobicContact CG-CG2 3.92Å |
| 77 | A | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E9 G10 F11 V66 Q106 V107 | E9-A77 CarbonylContact O-C 3.55Å; E9-A77 WeakPolarHBondContact O-CA 3.49Å; G10-A77 WeakPolarHBondContact O-CB 3.44Å; F11-A77 HydrophobicContact CB-CB 4.23Å; F11-A77 HydrophobicContact CD2-CB 4.11Å; V66-A77 HydrophobicContact CG2-CB 4.06Å; A77-Q106 WeakPolarHBondContact O-CA 3.45Å; A77-V107 HydrophobicContact CB-CG1 3.73Å; A77-V107 PolarHBondContact N-O 3.17Å; A77-V107 PolarHBondContact O-N 3.04Å |
| 78 | T | 94.5 | Very high | 87.9 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 129.7 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 109.1 | E9 K76 T104 Q106 | E9-T78 PolarHBondContact N-O 3.4Å; E9-T78 PolarHBondContact O-N 2.83Å; K76-T78 VanDerWaalsContact CE-OG1 3.24Å; K76-T78 WeakPolarHBondContact CE-OG1 3.48Å; T78-T104 HydrophobicContact CG2-CG2 3.58Å; T78-Q106 HydrophobicContact CG2-CG 3.72Å |
| 79 | V | 96.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.3 | 168.6 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | I6 I7 F11 F47 L48 T104 R105 | I6-V79 HydrophobicContact CG2-CG1 4.49Å; I7-V79 WeakPolarHBondContact O-CA 3.45Å; F11-V79 HydrophobicContact CB-CG2 4.47Å; F11-V79 HydrophobicContact CD2-CG2 3.71Å; F11-V79 HydrophobicContact CE2-CG2 4.04Å; F11-V79 HydrophobicContact CG-CG2 4.05Å; F47-V79 HydrophobicContact CD1-CB 4.09Å; F47-V79 HydrophobicContact CD1-CG2 3.73Å; F47-V79 HydrophobicContact CE1-CB 4.41Å; F47-V79 HydrophobicContact CE1-CG2 4.12Å; L48-V79 HydrophobicContact CB-CG1 4.23Å; L48-V79 HydrophobicContact CD1-CG1 4.15Å; V79-T104 CarbonylContact O-C 3.58Å; V79-T104 VanDerWaalsContact O-CA 3.27Å; V79-T104 WeakPolarHBondContact O-CA 3.39Å; V79-R105 PolarHBondContact N-O 2.88Å; V79-R105 PolarHBondContact O-N 3.25Å |
| 80 | S | 95.9 | Very high | 87.2 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 12% | 0.119 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.9 | 174.6 | -50.4 | 0 | 0 | 0 | 0 | 110.1 | I6 I7 V103 T104 | I6-S80 CarbonylContact C-O 3.26Å; I6-S80 WeakPolarHBondContact CA-O 3.5Å; I7-S80 PolarHBondContact N-O 3.44Å; I7-S80 PolarHBondContact O-N 3.48Å; S80-V103 CarbonylContact C-O 3.59Å; S80-V103 VanDerWaalsContact CA-O 3.29Å; S80-V103 WeakPolarHBondContact CA-O 3.44Å; S80-T104 VanDerWaalsContact CB-OG1 3.32Å; S80-T104 WeakPolarHBondContact CB-OG1 3.42Å; S80-T104 WeakPolarHBondContact OG-CB 3.2Å; S80-T104 WeakPolarHBondContact OG-CG2 3.24Å; S80-T104 PolarHBondContact OG-OG1 3.35Å |
| 81 | I | 95.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 128 | 174.9 | -67.4 | 169.2 | 0 | 0 | 0 | 108.3 | I3 S5 I6 I45 L48 F83 T102 V103 | I3-I81 HydrophobicContact CG1-CG2 4.15Å; I3-I81 HydrophobicContact CG2-CG2 3.98Å; S5-I81 WeakPolarHBondContact O-CA 3.1Å; I6-I81 HydrophobicContact CB-CG1 4.34Å; I6-I81 HydrophobicContact CG1-CG1 4.05Å; I6-I81 HydrophobicContact CG2-CG1 3.91Å; I45-I81 HydrophobicContact CB-CD1 4.18Å; I45-I81 HydrophobicContact CG1-CD1 3.93Å; I45-I81 HydrophobicContact CG2-CD1 4.12Å; L48-I81 HydrophobicContact CB-CD1 4.06Å; L48-I81 HydrophobicContact CD1-CB 3.72Å; L48-I81 HydrophobicContact CD1-CD1 3.8Å; L48-I81 HydrophobicContact CD1-CG1 3.63Å; L48-I81 HydrophobicContact CD2-CB 4.36Å; L48-I81 HydrophobicContact CD2-CD1 4.01Å; L48-I81 HydrophobicContact CG-CD1 4.17Å; I81-F83 HydrophobicContact CB-CE2 3.89Å; I81-F83 HydrophobicContact CB-CZ 4.07Å; I81-F83 HydrophobicContact CG2-CD1 4.15Å; I81-F83 HydrophobicContact CG2-CD2 3.91Å; I81-F83 HydrophobicContact CG2-CE1 3.76Å; I81-F83 HydrophobicContact CG2-CE2 3.5Å; I81-F83 VanDerWaalsContact CG2-CE2 3.5Å; I81-F83 HydrophobicContact CG2-CG 4.22Å; I81-F83 HydrophobicContact CG2-CZ 3.42Å; I81-F83 VanDerWaalsContact CG2-CZ 3.42Å; I81-T102 WeakPolarHBondContact O-CA 3.49Å; I81-V103 PolarHBondContact N-O 2.97Å; I81-V103 PolarHBondContact O-N 2.97Å |
| 82 | T | 94.6 | Very high | 87.4 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.9 | 172.1 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | K4 S5 E100 T102 | K4-T82 PolarHBondContact N-O 2.91Å; S5-T82 PolarHBondContact N-O 2.77Å; S5-T82 PolarHBondContact O-N 3.47Å; S5-T82 WeakPolarHBondContact OG-CB 3.48Å; T82-E100 HydrophobicContact CG2-CB 4.26Å; T82-T102 PolarHBondContact OG1-OG1 2.9Å |
| 83 | F | 92.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.2 | 177.7 | -61.7 | -87.7 | 0 | 0 | 0 | 110.7 | M1 Y2 I3 L48 I81 E100 I101 V103 F131 I1109 | M1-F83 HydrophobicContact CE-CB 3.3Å; M1-F83 HydrophobicContact CE-CD1 3.81Å; M1-F83 HydrophobicContact CE-CD2 3.55Å; M1-F83 HydrophobicContact CE-CE1 4.47Å; M1-F83 HydrophobicContact CE-CE2 4.26Å; M1-F83 HydrophobicContact CE-CG 3.28Å; M1-F83 HydrophobicContact CG-CB 3.82Å; M1-F83 HydrophobicContact CG-CD1 4.36Å; M1-F83 HydrophobicContact CG-CG 4.36Å; M1-F83 HydrophobicContact SD-CB 4.38Å; Y2-F83 CarbonylContact O-C 3.48Å; Y2-F83 VanDerWaalsContact O-CA 3.23Å; Y2-F83 WeakPolarHBondContact O-CA 3.42Å; I3-F83 HydrophobicContact CD1-CE1 4.49Å; I3-F83 HydrophobicContact CG1-CD1 3.99Å; I3-F83 HydrophobicContact CG1-CE1 3.65Å; L48-F83 HydrophobicContact CD2-CE2 4.37Å; L48-F83 HydrophobicContact CD2-CZ 4.45Å; I81-F83 HydrophobicContact CB-CE2 3.89Å; I81-F83 HydrophobicContact CB-CZ 4.07Å; I81-F83 HydrophobicContact CG2-CD1 4.15Å; I81-F83 HydrophobicContact CG2-CD2 3.91Å; I81-F83 HydrophobicContact CG2-CE1 3.76Å; I81-F83 HydrophobicContact CG2-CE2 3.5Å; I81-F83 VanDerWaalsContact CG2-CE2 3.5Å; I81-F83 HydrophobicContact CG2-CG 4.22Å; I81-F83 HydrophobicContact CG2-CZ 3.42Å; I81-F83 VanDerWaalsContact CG2-CZ 3.42Å; F83-E100 WeakPolarHBondContact O-CA 3.46Å; F83-I101 PolarHBondContact N-O 2.7Å; F83-I101 PolarHBondContact O-N 3Å; F83-V103 HydrophobicContact CD2-CG2 4.43Å; F83-V103 HydrophobicContact CE2-CB 4.37Å; F83-V103 HydrophobicContact CE2-CG2 4.21Å; F83-F131 AromaticContact CE2-CE1 3.92Å; F83-F131 HydrophobicContact CE2-CE1 3.92Å; F83-F131 HydrophobicContact CE2-CZ 4.11Å; F83-F131 AromaticContact CZ-CE1 3.89Å; F83-F131 HydrophobicContact CZ-CE1 3.89Å; F83-F131 HydrophobicContact CZ-CZ 4.25Å; F83-I1109 HydrophobicContact CD1-CD1 4.01Å; F83-I1109 HydrophobicContact CE1-CD1 3.59Å |
| 84 | D | 90.6 | Very high | 87.7 | Confident | 18 Ų | 18 | 44.5 Ų | 44.5 | 10% | 0.096 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 128.7 | 168.7 | -170.8 | -80.2 | 0 | 0 | 0 | 110 | M1 Y2 S86 | M1-D84 WeakPolarHBondContact CA-O 3.42Å; M1-D84 WeakPolarHBondContact CG-O 3.44Å; Y2-D84 HydrophobicContact CD1-CB 4Å; Y2-D84 HydrophobicContact CD2-CB 4.28Å; Y2-D84 HydrophobicContact CE1-CB 3.6Å; Y2-D84 HydrophobicContact CE2-CB 3.91Å; Y2-D84 HydrophobicContact CG-CB 4.31Å; Y2-D84 PolarHBondContact N-O 3Å; Y2-D84 PolarHBondContact O-N 2.62Å; D84-S86 WeakPolarHBondContact OD1-CB 3.23Å; D84-S86 PolarHBondContact OD1-N 2.92Å; D84-S86 PolarHBondContact OD1-OG 3.28Å; D84-S86 PolarHBondContact OD2-OG 3.42Å |
| 85 | N | 89.1 | Confident | 87.5 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | trans | -125.4 | 35.7 | -180 | -169.5 | 43.8 | 0 | 0 | 0 | 111.7 | N87 K88 S91 F95 H98 D99 I101 | N85-N87 VanDerWaalsContact C-N 3.3Å; N85-N87 PolarHBondContact O-N 3.11Å; N85-K88 PolarHBondContact O-NZ 2.91Å; N85-S91 PolarHBondContact ND2-OG 3.21Å; N85-S91 WeakPolarHBondContact OD1-CA 3.43Å; N85-S91 WeakPolarHBondContact OD1-CB 3.47Å; N85-S91 PolarHBondContact OD1-OG 3.08Å; N85-F95 PolarHBondContact ND2-O 3.32Å; N85-F95 VanDerWaalsContact ND2-O 3.16Å; N85-H98 PolarHBondContact ND2-O 3.1Å; N85-D99 CarbonylContact C-O 3.5Å; N85-D99 WeakPolarHBondContact CA-O 3.23Å; N85-D99 PolarHBondContact N-O 2.98Å; N85-I101 HydrophobicContact CB-CD1 3.98Å; N85-I101 HydrophobicContact CB-CG1 4.04Å | ||
| 86 | S | 85.3 | Confident | 87.2 | Confident | 73 Ų | 73 | 43.4 Ų | 43.4 | 51% | 0.51 | 25% | 0.247 | S | C | . | . | trans | -66.7 | -30.3 | -179.7 | -57 | 0 | 0 | 0 | 0 | 112.8 | D84 K88 | D84-S86 WeakPolarHBondContact OD1-CB 3.23Å; D84-S86 PolarHBondContact OD1-N 2.92Å; D84-S86 PolarHBondContact OD1-OG 3.28Å; D84-S86 PolarHBondContact OD2-OG 3.42Å; S86-K88 PolarHBondContact O-N 3.28Å | ||
| 87 | N | 83.6 | Confident | 86.9 | Confident | 75 Ų | 75 | 45.6 Ų | 45.6 | 40% | 0.401 | 27% | 0.267 | S | S | . | . | trans | -85.5 | 96.9 | 178.6 | -172.2 | -7.9 | 0 | 0 | 0 | 112 | N85 S89 Q90 S91 | N85-N87 VanDerWaalsContact C-N 3.3Å; N85-N87 PolarHBondContact O-N 3.11Å; N87-S89 VanDerWaalsContact C-N 3.27Å; N87-S89 PolarHBondContact O-N 2.7Å; N87-S89 PolarHBondContact OD1-N 3.03Å; N87-S89 PolarHBondContact OD1-OG 3.1Å; N87-Q90 PolarHBondContact O-N 3.06Å; N87-Q90 VanDerWaalsContact O-N 3.09Å; N87-S91 PolarHBondContact O-N 3.29Å; N87-S91 PolarHBondContact O-OG 3.33Å | ||
| 88 | K | 82.4 | Confident | 86.5 | Confident | 83 Ų | 83 | 49.3 Ų | 49.3 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -63.5 | -26.5 | -175.6 | -54.4 | -50.9 | -175.5 | -179.5 | 0 | 115 | N85 S86 Q90 S91 E96 H98 D99 | N85-K88 PolarHBondContact O-NZ 2.91Å; S86-K88 PolarHBondContact O-N 3.28Å; K88-Q90 PolarHBondContact O-N 2.73Å; K88-S91 WeakPolarHBondContact CA-OG 3.45Å; K88-S91 PolarHBondContact O-N 3.17Å; K88-E96 VanDerWaalsContact CD-O 3.26Å; K88-E96 WeakPolarHBondContact CD-O 3.41Å; K88-E96 VanDerWaalsContact CE-O 3.26Å; K88-E96 WeakPolarHBondContact CE-O 3.43Å; K88-E96 PolarHBondContact NZ-O 2.94Å; K88-H98 PolarHBondContact NZ-O 3.38Å; K88-D99 WeakPolarHBondContact CE-OD1 3.47Å; K88-D99 IonicContact NZ-OD1 3.24Å; K88-D99 PolarHBondContact NZ-OD1 3.13Å |
| 89 | S | 77.5 | Confident | 86.2 | Confident | 106 Ų | 106 | 53.7 Ų | 53.7 | 74% | 0.741 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -68.6 | -21.8 | 176.5 | 68.2 | 0 | 0 | 0 | 0 | 113.4 | N87 | N87-S89 VanDerWaalsContact C-N 3.27Å; N87-S89 PolarHBondContact O-N 2.7Å; N87-S89 PolarHBondContact OD1-N 3.03Å; N87-S89 PolarHBondContact OD1-OG 3.1Å |
| 90 | Q | 75.8 | Confident | 86 | Confident | 110 Ų | 110 | 57.7 Ų | 57.7 | 51% | 0.514 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -113 | 14.1 | 179.5 | -63 | -178 | -6.4 | 0 | 0 | 111.8 | N87 K88 V134 | N87-Q90 PolarHBondContact O-N 3.06Å; N87-Q90 VanDerWaalsContact O-N 3.09Å; K88-Q90 PolarHBondContact O-N 2.73Å; Q90-V134 WeakPolarHBondContact O-CG1 3.43Å |
| 91 | S | 82.4 | Confident | 85.9 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 11% | 0.112 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 142.8 | 179.5 | -72.1 | 0 | 0 | 0 | 0 | 111.3 | N85 N87 K88 | N85-S91 PolarHBondContact ND2-OG 3.21Å; N85-S91 WeakPolarHBondContact OD1-CA 3.43Å; N85-S91 WeakPolarHBondContact OD1-CB 3.47Å; N85-S91 PolarHBondContact OD1-OG 3.08Å; N87-S91 PolarHBondContact O-N 3.29Å; N87-S91 PolarHBondContact O-OG 3.33Å; K88-S91 WeakPolarHBondContact CA-OG 3.45Å; K88-S91 PolarHBondContact O-N 3.17Å |
| 92 | P | 81 | Confident | 85.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 143.7 | 173.4 | 20 | -22.7 | 0 | 0 | 0 | 110.7 | G94 F95 I101 L130 S133 V134 | P92-G94 PolarHBondContact O-N 3.37Å; P92-F95 HydrophobicContact CG-CB 4.11Å; P92-F95 HydrophobicContact CG-CD2 4.46Å; P92-F95 PolarHBondContact O-N 3.23Å; P92-I101 HydrophobicContact CG-CD1 3.39Å; P92-L130 HydrophobicContact CB-CD1 4.01Å; P92-L130 HydrophobicContact CB-CG 3.87Å; P92-L130 HydrophobicContact CG-CD1 4.05Å; P92-L130 HydrophobicContact CG-CG 4.16Å; P92-S133 VanDerWaalsContact CA-OG 3.27Å; P92-S133 WeakPolarHBondContact CA-OG 3.49Å; P92-S133 VanDerWaalsContact CB-OG 3.23Å; P92-S133 WeakPolarHBondContact CB-OG 3.33Å; P92-V134 HydrophobicContact CB-CG1 3.88Å; P92-V134 HydrophobicContact CG-CG1 4.05Å |
| 93 | L | 78.3 | Confident | 85.8 | Confident | 143 Ų | 143 | 58.1 Ų | 58.1 | 75% | 0.749 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 123.5 | -177.2 | -77.1 | 160.4 | 0 | 0 | 0 | 111.4 | ||
| 94 | G | 81.5 | Confident | 86 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 7.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | P92 E96 | P92-G94 PolarHBondContact O-N 3.37Å; G94-E96 VanDerWaalsContact C-OE2 3.31Å; G94-E96 VanDerWaalsContact CA-OE2 3.24Å; G94-E96 WeakPolarHBondContact CA-OE2 3.03Å; G94-E96 PolarHBondContact N-OE1 3.22Å; G94-E96 PolarHBondContact N-OE2 3.36Å; G94-E96 VanDerWaalsContact N-OE2 3.12Å |
| 95 | F | 84.4 | Confident | 86.1 | Confident | 25 Ų | 25 | 59 Ų | 59 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | trans | -125.9 | 18 | 176.3 | -65.7 | -89.4 | 0 | 0 | 0 | 113 | N85 P92 T97 H98 I101 I117 L130 | N85-F95 PolarHBondContact ND2-O 3.32Å; N85-F95 VanDerWaalsContact ND2-O 3.16Å; P92-F95 HydrophobicContact CG-CB 4.11Å; P92-F95 HydrophobicContact CG-CD2 4.46Å; P92-F95 PolarHBondContact O-N 3.23Å; F95-T97 PolarHBondContact O-N 3.08Å; F95-H98 PolarHBondContact O-N 3.33Å; F95-H98 VanDerWaalsContact O-N 3.11Å; F95-I101 HydrophobicContact CB-CD1 3.84Å; F95-I101 HydrophobicContact CB-CG1 4.5Å; F95-I101 HydrophobicContact CG-CD1 4.33Å; F95-I117 HydrophobicContact CE1-CG2 3.63Å; F95-I117 HydrophobicContact CZ-CD1 4.44Å; F95-I117 HydrophobicContact CZ-CG2 3.74Å; F95-L130 HydrophobicContact CD2-CD1 3.58Å; F95-L130 HydrophobicContact CE2-CD1 3.39Å; F95-L130 HydrophobicContact CG-CD1 4.3Å; F95-L130 HydrophobicContact CZ-CD1 3.98Å | ||
| 96 | E | 84.6 | Confident | 86.3 | Confident | 84 Ų | 84 | 60.8 Ų | 60.8 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.2 | -178.5 | -56.2 | 83.3 | 177.4 | 0 | 0 | 112 | K88 G94 H98 | K88-E96 VanDerWaalsContact CD-O 3.26Å; K88-E96 WeakPolarHBondContact CD-O 3.41Å; K88-E96 VanDerWaalsContact CE-O 3.26Å; K88-E96 WeakPolarHBondContact CE-O 3.43Å; K88-E96 PolarHBondContact NZ-O 2.94Å; G94-E96 VanDerWaalsContact C-OE2 3.31Å; G94-E96 VanDerWaalsContact CA-OE2 3.24Å; G94-E96 WeakPolarHBondContact CA-OE2 3.03Å; G94-E96 PolarHBondContact N-OE1 3.22Å; G94-E96 PolarHBondContact N-OE2 3.36Å; G94-E96 VanDerWaalsContact N-OE2 3.12Å; E96-H98 VanDerWaalsContact C-N 3.3Å; E96-H98 PolarHBondContact O-N 3.35Å |
| 97 | T | 84.9 | Confident | 86.7 | Confident | 122 Ų | 122 | 57.4 Ų | 57.4 | 75% | 0.748 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11 | 179.3 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | F95 | F95-T97 PolarHBondContact O-N 3.08Š|
| 98 | H | 86.8 | Confident | 87 | Confident | 78 Ų | 78 | 56.3 Ų | 56.3 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | trans | -104.6 | 127.2 | -176.5 | -62.6 | 72.7 | 0 | 0 | 0 | 110.3 | N85 K88 F95 E96 N118 | N85-H98 PolarHBondContact ND2-O 3.1Å; K88-H98 PolarHBondContact NZ-O 3.38Å; F95-H98 PolarHBondContact O-N 3.33Å; F95-H98 VanDerWaalsContact O-N 3.11Å; E96-H98 VanDerWaalsContact C-N 3.3Å; E96-H98 PolarHBondContact O-N 3.35Å; H98-N118 PolarHBondContact CD2-ND2 2.95Å | ||
| 99 | D | 87.9 | Confident | 87.2 | Confident | 101 Ų | 101 | 55 Ų | 55 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -80.4 | -21.6 | 177.2 | -64.9 | -24 | 0 | 0 | 0 | 112.5 | N85 K88 | N85-D99 CarbonylContact C-O 3.5Å; N85-D99 WeakPolarHBondContact CA-O 3.23Å; N85-D99 PolarHBondContact N-O 2.98Å; K88-D99 WeakPolarHBondContact CE-OD1 3.47Å; K88-D99 IonicContact NZ-OD1 3.24Å; K88-D99 PolarHBondContact NZ-OD1 3.13Å |
| 100 | E | 91.4 | Very high | 87.3 | Confident | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.2 | 173.5 | -64.9 | -175.3 | 175.8 | 0 | 0 | 110.5 | K4 T82 F83 | K4-E100 IonicContact NZ-OE1 3.46Å; K4-E100 PolarHBondContact NZ-OE1 2.98Å; T82-E100 HydrophobicContact CG2-CB 4.26Å; F83-E100 WeakPolarHBondContact O-CA 3.46Å |
| 101 | I | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 118 | 176.9 | -58.1 | 173.9 | 0 | 0 | 0 | 108.2 | M1 F83 N85 P92 F95 V103 I117 | M1-I101 HydrophobicContact CE-CD1 4.46Å; F83-I101 PolarHBondContact N-O 2.7Å; F83-I101 PolarHBondContact O-N 3Å; N85-I101 HydrophobicContact CB-CD1 3.98Å; N85-I101 HydrophobicContact CB-CG1 4.04Å; P92-I101 HydrophobicContact CG-CD1 3.39Å; F95-I101 HydrophobicContact CB-CD1 3.84Å; F95-I101 HydrophobicContact CB-CG1 4.5Å; F95-I101 HydrophobicContact CG-CD1 4.33Å; I101-V103 HydrophobicContact CG2-CG2 4.17Å; I101-I117 HydrophobicContact CG2-CG2 4.22Å |
| 102 | T | 94.3 | Very high | 87.4 | Confident | 43 Ų | 43 | 60 Ų | 60 | 26% | 0.264 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 117.8 | 175.6 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | I81 T82 N118 | I81-T102 WeakPolarHBondContact O-CA 3.49Å; T82-T102 PolarHBondContact OG1-OG1 2.9Å; T102-N118 PolarHBondContact N-OD1 3.4Å; T102-N118 PolarHBondContact O-N 2.87Å; T102-N118 PolarHBondContact O-OD1 3.33Å |
| 103 | V | 95.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.5 | 173.2 | -177.9 | 0 | 0 | 0 | 0 | 108 | L48 S80 I81 F83 I101 L116 V127 L130 F131 | L48-V103 HydrophobicContact CD1-CB 4.43Å; L48-V103 HydrophobicContact CD1-CG1 4.44Å; L48-V103 WeakPolarHBondContact CD1-O 3.34Å; L48-V103 HydrophobicContact CD2-CB 4.04Å; L48-V103 HydrophobicContact CD2-CG1 3.85Å; L48-V103 HydrophobicContact CG-CG1 4.14Å; S80-V103 CarbonylContact C-O 3.59Å; S80-V103 VanDerWaalsContact CA-O 3.29Å; S80-V103 WeakPolarHBondContact CA-O 3.44Å; I81-V103 PolarHBondContact N-O 2.97Å; I81-V103 PolarHBondContact O-N 2.97Å; F83-V103 HydrophobicContact CD2-CG2 4.43Å; F83-V103 HydrophobicContact CE2-CB 4.37Å; F83-V103 HydrophobicContact CE2-CG2 4.21Å; I101-V103 HydrophobicContact CG2-CG2 4.17Å; V103-L116 CarbonylContact C-O 3.53Å; V103-L116 WeakPolarHBondContact CA-O 3.44Å; V103-V127 HydrophobicContact CG1-CG1 4.42Å; V103-L130 HydrophobicContact CG2-CD2 4.45Å; V103-F131 HydrophobicContact CB-CZ 4.36Å; V103-F131 HydrophobicContact CG1-CE2 4.44Å; V103-F131 HydrophobicContact CG1-CZ 4.18Å; V103-F131 HydrophobicContact CG2-CZ 4.03Å |
| 104 | T | 95.5 | Very high | 88.3 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 9% | 0.092 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.1 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 109.9 | T78 V79 S80 Q106 Y115 L116 | T78-T104 HydrophobicContact CG2-CG2 3.58Å; V79-T104 CarbonylContact O-C 3.58Å; V79-T104 VanDerWaalsContact O-CA 3.27Å; V79-T104 WeakPolarHBondContact O-CA 3.39Å; S80-T104 VanDerWaalsContact CB-OG1 3.32Å; S80-T104 WeakPolarHBondContact CB-OG1 3.42Å; S80-T104 WeakPolarHBondContact OG-CB 3.2Å; S80-T104 WeakPolarHBondContact OG-CG2 3.24Å; S80-T104 PolarHBondContact OG-OG1 3.35Å; T104-Q106 HydrophobicContact CG2-CG 4.1Å; T104-Y115 CarbonylContact O-C 3.55Å; T104-Y115 WeakPolarHBondContact O-CA 3.18Å; T104-L116 HydrophobicContact CG2-CD1 3.99Å; T104-L116 PolarHBondContact N-O 3.1Å; T104-L116 PolarHBondContact O-N 2.71Å |
| 105 | R | 94.1 | Very high | 88.9 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.1 | 171.3 | -166.2 | -178.7 | -171.3 | -178.1 | 3.1 | 109.9 | F47 V79 Y115 | F47-R105 HydrophobicContact CD1-CB 4.33Å; F47-R105 HydrophobicContact CD1-CG 4.46Å; F47-R105 HydrophobicContact CE1-CB 3.84Å; F47-R105 HydrophobicContact CE1-CG 3.81Å; F47-R105 HydrophobicContact CE2-CG 4.26Å; F47-R105 HydrophobicContact CZ-CB 4.25Å; F47-R105 HydrophobicContact CZ-CG 3.7Å; F47-R105 WeakPolarHBondContact O-CD 3.41Å; F47-R105 PolarHBondContact O-NH1 3.49Å; V79-R105 PolarHBondContact N-O 2.88Å; V79-R105 PolarHBondContact O-N 3.25Å; R105-Y115 HydrophobicContact CB-CD1 4.03Å; R105-Y115 HydrophobicContact CB-CE1 3.79Å; R105-Y115 VanDerWaalsContact CD-OH 3.26Å; R105-Y115 WeakPolarHBondContact CD-OH 3.45Å; R105-Y115 HydrophobicContact CG-CD1 3.99Å; R105-Y115 HydrophobicContact CG-CE1 3.62Å; R105-Y115 HydrophobicContact CG-CE2 4.26Å; R105-Y115 HydrophobicContact CG-CG 4.48Å; R105-Y115 VanDerWaalsContact NE-CZ 3.33Å; R105-Y115 PolarHBondContact NE-OH 3.21Å; R105-Y115 VanDerWaalsContact NE-OH 3.1Å; R105-Y115 PolarHBondContact NH1-OH 3.5Å |
| 106 | Q | 93 | Very high | 89.4 | Confident | 40 Ų | 40 | 60 Ų | 60 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.2 | -179.1 | -67.7 | 178.7 | 0.2 | 0 | 0 | 111 | K76 A77 T78 T104 N113 K114 | K76-Q106 VanDerWaalsContact NZ-NE2 3.16Å; K76-Q106 VanDerWaalsContact NZ-OE1 3.09Å; A77-Q106 WeakPolarHBondContact O-CA 3.45Å; T78-Q106 HydrophobicContact CG2-CG 3.72Å; T104-Q106 HydrophobicContact CG2-CG 4.1Å; Q106-N113 WeakPolarHBondContact O-CA 3.44Å; Q106-K114 PolarHBondContact N-O 2.89Å; Q106-K114 PolarHBondContact O-N 3.38Å |
| 107 | V | 92.1 | Very high | 89.8 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.9 | 170.3 | 56.1 | 0 | 0 | 0 | 0 | 109.2 | F47 L62 V66 K76 A77 N113 | F47-V107 HydrophobicContact CE2-CB 4.49Å; F47-V107 HydrophobicContact CE2-CG1 4.27Å; F47-V107 HydrophobicContact CZ-CB 4.06Å; F47-V107 HydrophobicContact CZ-CG1 3.75Å; L62-V107 HydrophobicContact CB-CG2 4.33Å; V66-V107 HydrophobicContact CG2-CG1 4Å; K76-V107 WeakPolarHBondContact CA-O 3.11Å; A77-V107 HydrophobicContact CB-CG1 3.73Å; A77-V107 PolarHBondContact N-O 3.17Å; A77-V107 PolarHBondContact O-N 3.04Å; V107-N113 WeakPolarHBondContact CB-OD1 3.38Å; V107-N113 VanDerWaalsContact CG2-OD1 3.27Å; V107-N113 WeakPolarHBondContact CG2-OD1 3.32Å |
| 108 | V | 90.6 | Very high | 90.1 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 32% | 0.315 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.6 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 107.9 | T75 K76 G110 G111 | T75-V108 WeakPolarHBondContact O-CA 3.34Å; K76-V108 HydrophobicContact CB-CG2 4.21Å; K76-V108 HydrophobicContact CD-CG2 4.3Å; K76-V108 HydrophobicContact CG-CG2 3.92Å; V108-G110 PolarHBondContact O-N 2.79Å; V108-G111 PolarHBondContact O-N 3.27Å |
| 109 | I | 86.4 | Confident | 90.1 | Very high | 54 Ų | 54 | 52.6 Ų | 52.6 | 28% | 0.277 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 125.2 | 178.6 | -60.8 | 174.7 | 0 | 0 | 0 | 109.4 | V66 N69 T75 G111 | V66-I109 HydrophobicContact CB-CD1 4.11Å; V66-I109 HydrophobicContact CB-CG1 4.18Å; V66-I109 HydrophobicContact CG1-CD1 3.88Å; V66-I109 HydrophobicContact CG1-CG1 4.21Å; V66-I109 HydrophobicContact CG2-CD1 4.44Å; V66-I109 HydrophobicContact CG2-CG1 3.97Å; N69-I109 VanDerWaalsContact C-CD1 3.46Å; N69-I109 WeakPolarHBondContact O-CD1 3.18Å; T75-I109 PolarHBondContact O-N 3.38Å; I109-G111 PolarHBondContact O-N 2.82Å; I109-G111 VanDerWaalsContact O-N 3.16Å |
| 110 | G | 79.9 | Confident | 90.3 | Very high | 75 Ų | 75 | 52.6 Ų | 52.6 | 77% | 0.773 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 1.2 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | V108 | V108-G110 PolarHBondContact O-N 2.79Š|
| 111 | G | 80.9 | Confident | 90.3 | Very high | 43 Ų | 43 | 53.4 Ų | 53.4 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -104.9 | -177.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V108 I109 | V108-G111 PolarHBondContact O-N 3.27Å; I109-G111 PolarHBondContact O-N 2.82Å; I109-G111 VanDerWaalsContact O-N 3.16Å |
| 112 | R | 79.6 | Confident | 90.2 | Very high | 221 Ų | 221 | 53.9 Ų | 53.9 | 83% | 0.834 | 31% | 0.313 | S | S | * | . | trans | -90.6 | 139.8 | 175.3 | -64.1 | -175.3 | -175.4 | -178.8 | 1.9 | 111.2 | ||||
| 113 | N | 87 | Confident | 89.9 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | trans | -69.5 | 138.2 | 171.3 | -57.7 | -39.7 | 0 | 0 | 0 | 110.5 | L62 Q106 V107 | L62-N113 VanDerWaalsContact CD1-ND2 3.31Å; L62-N113 WeakPolarHBondContact CD1-ND2 3.15Å; Q106-N113 WeakPolarHBondContact O-CA 3.44Å; V107-N113 WeakPolarHBondContact CB-OD1 3.38Å; V107-N113 VanDerWaalsContact CG2-OD1 3.27Å; V107-N113 WeakPolarHBondContact CG2-OD1 3.32Å | ||
| 114 | K | 91.2 | Very high | 89.5 | Confident | 113 Ų | 113 | 61 Ų | 61 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.6 | -179.6 | -63.5 | -178.3 | -176 | 178 | 0 | 111.1 | Q106 | Q106-K114 PolarHBondContact N-O 2.89Å; Q106-K114 PolarHBondContact O-N 3.38Å |
| 115 | Y | 94.8 | Very high | 89 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 4% | 0.039 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139 | 171.4 | -85.7 | -77.3 | 0 | 0 | 0 | 109.3 | L48 G50 T104 R105 N121 A122 N124 V127 | L48-Y115 VanDerWaalsContact O-CE1 3.28Å; L48-Y115 WeakPolarHBondContact O-CE1 3.25Å; L48-Y115 PolarHBondContact O-OH 2.87Å; G50-Y115 WeakPolarHBondContact CA-OH 3.36Å; G50-Y115 PolarHBondContact N-OH 3.14Å; T104-Y115 CarbonylContact O-C 3.55Å; T104-Y115 WeakPolarHBondContact O-CA 3.18Å; R105-Y115 HydrophobicContact CB-CD1 4.03Å; R105-Y115 HydrophobicContact CB-CE1 3.79Å; R105-Y115 VanDerWaalsContact CD-OH 3.26Å; R105-Y115 WeakPolarHBondContact CD-OH 3.45Å; R105-Y115 HydrophobicContact CG-CD1 3.99Å; R105-Y115 HydrophobicContact CG-CE1 3.62Å; R105-Y115 HydrophobicContact CG-CE2 4.26Å; R105-Y115 HydrophobicContact CG-CG 4.48Å; R105-Y115 VanDerWaalsContact NE-CZ 3.33Å; R105-Y115 PolarHBondContact NE-OH 3.21Å; R105-Y115 VanDerWaalsContact NE-OH 3.1Å; R105-Y115 PolarHBondContact NH1-OH 3.5Å; Y115-N121 CarbonylContact O-C 3.48Å; Y115-N121 WeakPolarHBondContact O-CA 3.34Å; Y115-N121 PolarHBondContact O-OD1 2.94Å; Y115-N121 VanDerWaalsContact O-OD1 3.05Å; Y115-A122 WeakPolarHBondContact CB-O 3.39Å; Y115-A122 PolarHBondContact O-N 3.37Å; Y115-N124 HydrophobicContact CE2-CB 4.37Å; Y115-N124 WeakPolarHBondContact CE2-OD1 3.38Å; Y115-V127 HydrophobicContact CD1-CB 4.44Å; Y115-V127 HydrophobicContact CD1-CG1 4.11Å; Y115-V127 HydrophobicContact CD1-CG2 3.87Å; Y115-V127 HydrophobicContact CD2-CG2 4.5Å; Y115-V127 HydrophobicContact CE1-CG1 4.01Å; Y115-V127 HydrophobicContact CE1-CG2 4.5Å; Y115-V127 HydrophobicContact CG-CG2 3.84Å |
| 116 | L | 94.1 | Very high | 88.6 | Confident | 32 Ų | 32 | 70.6 Ų | 70.6 | 17% | 0.168 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.3 | 173.9 | -54.8 | 137.1 | 0 | 0 | 0 | 108.3 | V103 T104 G119 V120 N121 | V103-L116 CarbonylContact C-O 3.53Å; V103-L116 WeakPolarHBondContact CA-O 3.44Å; T104-L116 HydrophobicContact CG2-CD1 3.99Å; T104-L116 PolarHBondContact N-O 3.1Å; T104-L116 PolarHBondContact O-N 2.71Å; L116-G119 WeakPolarHBondContact CD2-O 3.43Å; L116-V120 CarbonylContact C-O 3.51Å; L116-V120 WeakPolarHBondContact CA-O 3.48Å; L116-N121 HydrophobicContact CD2-CB 4.49Å |
| 117 | I | 92.7 | Very high | 88.3 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 5% | 0.051 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 120.6 | 169.2 | -56 | 169.5 | 0 | 0 | 0 | 106.3 | F95 I101 G119 V120 A122 V127 L130 | F95-I117 HydrophobicContact CE1-CG2 3.63Å; F95-I117 HydrophobicContact CZ-CD1 4.44Å; F95-I117 HydrophobicContact CZ-CG2 3.74Å; I101-I117 HydrophobicContact CG2-CG2 4.22Å; I117-G119 PolarHBondContact O-N 3.46Å; I117-G119 VanDerWaalsContact O-N 3.14Å; I117-V120 PolarHBondContact N-O 3.09Å; I117-V120 PolarHBondContact O-N 2.9Å; I117-A122 HydrophobicContact CD1-CB 3.79Å; I117-A122 HydrophobicContact CG1-CB 3.96Å; I117-V127 HydrophobicContact CD1-CG2 3.99Å; I117-V127 HydrophobicContact CG1-CG2 4.22Å; I117-L130 HydrophobicContact CD1-CD1 4.42Å |
| 118 | N | 91.6 | Very high | 88 | Confident | 57 Ų | 57 | 70.1 Ų | 70.1 | 31% | 0.305 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 37.5 | -173.4 | -64.6 | -12 | 0 | 0 | 0 | 112.8 | H98 T102 V120 | H98-N118 PolarHBondContact CD2-ND2 2.95Å; T102-N118 PolarHBondContact N-OD1 3.4Å; T102-N118 PolarHBondContact O-N 2.87Å; T102-N118 PolarHBondContact O-OD1 3.33Å; N118-V120 VanDerWaalsContact C-N 3.32Å; N118-V120 PolarHBondContact O-N 2.91Å |
| 119 | G | 87.4 | Confident | 87.6 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 62% | 0.619 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | -5.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L116 I117 | L116-G119 WeakPolarHBondContact CD2-O 3.43Å; I117-G119 PolarHBondContact O-N 3.46Å; I117-G119 VanDerWaalsContact O-N 3.14Å |
| 120 | V | 90.9 | Very high | 87.6 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 62% | 0.618 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.4 | 179 | -177 | 0 | 0 | 0 | 0 | 110.9 | L116 I117 N118 A122 | L116-V120 CarbonylContact C-O 3.51Å; L116-V120 WeakPolarHBondContact CA-O 3.48Å; I117-V120 PolarHBondContact N-O 3.09Å; I117-V120 PolarHBondContact O-N 2.9Å; N118-V120 VanDerWaalsContact C-N 3.32Å; N118-V120 PolarHBondContact O-N 2.91Å; V120-A122 PolarHBondContact O-N 3.49Å |
| 121 | N | 91.6 | Very high | 87.8 | Confident | 101 Ų | 101 | 66.6 Ų | 66.6 | 54% | 0.54 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 129.5 | -178.7 | -165 | 41.6 | 0 | 0 | 0 | 111.3 | Y115 L116 | Y115-N121 CarbonylContact O-C 3.48Å; Y115-N121 WeakPolarHBondContact O-CA 3.34Å; Y115-N121 PolarHBondContact O-OD1 2.94Å; Y115-N121 VanDerWaalsContact O-OD1 3.05Å; L116-N121 HydrophobicContact CD2-CB 4.49Å |
| 122 | A | 90.8 | Very high | 87.8 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y115 I117 V120 V127 | Y115-A122 WeakPolarHBondContact CB-O 3.39Å; Y115-A122 PolarHBondContact O-N 3.37Å; I117-A122 HydrophobicContact CD1-CB 3.79Å; I117-A122 HydrophobicContact CG1-CB 3.96Å; V120-A122 PolarHBondContact O-N 3.49Å; A122-V127 HydrophobicContact CB-CG2 4.09Å |
| 123 | N | 89.2 | Confident | 87.7 | Confident | 124 Ų | 124 | 58.4 Ų | 58.4 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | trans | -76.2 | 152.9 | 172.1 | -70.6 | -8.8 | 0 | 0 | 0 | 110.5 | T125 R126 V127 | N123-T125 VanDerWaalsContact C-N 3.27Å; N123-T125 PolarHBondContact O-N 3.42Å; N123-R126 PolarHBondContact O-N 3.34Å; N123-V127 PolarHBondContact O-N 3.2Å | ||
| 124 | N | 86 | Confident | 87.3 | Confident | 69 Ų | 69 | 56 Ų | 56 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55 | -42.1 | 179.6 | -168.5 | 24.6 | 0 | 0 | 0 | 112.2 | Y115 R126 V127 Q128 | Y115-N124 HydrophobicContact CE2-CB 4.37Å; Y115-N124 WeakPolarHBondContact CE2-OD1 3.38Å; N124-R126 VanDerWaalsContact C-N 3.32Å; N124-R126 PolarHBondContact O-N 2.89Å; N124-V127 PolarHBondContact O-N 2.98Å; N124-Q128 WeakPolarHBondContact O-CG 3.27Å; N124-Q128 PolarHBondContact O-N 3.21Å |
| 125 | T | 85.3 | Confident | 86.5 | Confident | 87 Ų | 87 | 52.5 Ų | 52.5 | 53% | 0.534 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.7 | -42.9 | 177.5 | -41.2 | 0 | 0 | 0 | 0 | 112.2 | N123 V127 Q128 D129 | N123-T125 VanDerWaalsContact C-N 3.27Å; N123-T125 PolarHBondContact O-N 3.42Å; T125-V127 VanDerWaalsContact C-N 3.33Å; T125-V127 PolarHBondContact O-N 3.1Å; T125-Q128 PolarHBondContact O-N 2.87Å; T125-D129 WeakPolarHBondContact O-CB 3.3Å; T125-D129 PolarHBondContact O-N 3.18Å |
| 126 | R | 85.1 | Confident | 85.8 | Confident | 150 Ų | 150 | 52.1 Ų | 52.1 | 57% | 0.566 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.1 | -36.1 | 179.7 | -174.8 | 172.9 | 179.5 | 171.5 | -0.2 | 112.2 | N123 N124 L130 | N123-R126 PolarHBondContact O-N 3.34Å; N124-R126 VanDerWaalsContact C-N 3.32Å; N124-R126 PolarHBondContact O-N 2.89Å; R126-L130 WeakPolarHBondContact O-CB 3.33Å; R126-L130 PolarHBondContact O-N 3.02Å |
| 127 | V | 87.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | V103 Y115 I117 A122 N123 N124 T125 L130 F131 | V103-V127 HydrophobicContact CG1-CG1 4.42Å; Y115-V127 HydrophobicContact CD1-CB 4.44Å; Y115-V127 HydrophobicContact CD1-CG1 4.11Å; Y115-V127 HydrophobicContact CD1-CG2 3.87Å; Y115-V127 HydrophobicContact CD2-CG2 4.5Å; Y115-V127 HydrophobicContact CE1-CG1 4.01Å; Y115-V127 HydrophobicContact CE1-CG2 4.5Å; Y115-V127 HydrophobicContact CG-CG2 3.84Å; I117-V127 HydrophobicContact CD1-CG2 3.99Å; I117-V127 HydrophobicContact CG1-CG2 4.22Å; A122-V127 HydrophobicContact CB-CG2 4.09Å; N123-V127 PolarHBondContact O-N 3.2Å; N124-V127 PolarHBondContact O-N 2.98Å; T125-V127 VanDerWaalsContact C-N 3.33Å; T125-V127 PolarHBondContact O-N 3.1Å; V127-L130 WeakPolarHBondContact O-CB 3.46Å; V127-L130 PolarHBondContact O-N 3.49Å; V127-F131 HydrophobicContact CG1-CD2 3.76Å; V127-F131 HydrophobicContact CG1-CE2 3.46Å; V127-F131 VanDerWaalsContact CG1-CE2 3.46Å; V127-F131 VanDerWaalsContact O-CD2 3.28Å; V127-F131 WeakPolarHBondContact O-CD2 3.38Å; V127-F131 PolarHBondContact O-N 3.26Å |
| 128 | Q | 84.8 | Confident | 83.9 | Confident | 33 Ų | 33 | 52 Ų | 52 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.1 | -71.9 | 179.9 | -14.6 | 0 | 0 | 112.1 | N124 T125 F131 C132 | N124-Q128 WeakPolarHBondContact O-CG 3.27Å; N124-Q128 PolarHBondContact O-N 3.21Å; T125-Q128 PolarHBondContact O-N 2.87Å; Q128-F131 PolarHBondContact O-N 2.98Å; Q128-C132 WeakPolarHBondContact O-CB 3.37Å; Q128-C132 PolarHBondContact O-N 3Å; Q128-C132 PolarHBondContact O-SG 3.43Å |
| 129 | D | 82.4 | Confident | 82.6 | Confident | 99 Ų | 99 | 54 Ų | 54 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 176.6 | -68.2 | -25.4 | 0 | 0 | 0 | 111.3 | T125 C132 S133 | T125-D129 WeakPolarHBondContact O-CB 3.3Å; T125-D129 PolarHBondContact O-N 3.18Å; D129-C132 PolarHBondContact O-N 3.46Å; D129-S133 WeakPolarHBondContact O-CB 3.3Å; D129-S133 PolarHBondContact O-N 2.99Å |
| 130 | L | 86.3 | Confident | 81.7 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.7 | -52 | 173.9 | 177.1 | 129.8 | 0 | 0 | 0 | 111 | P92 F95 V103 I117 R126 V127 S133 | P92-L130 HydrophobicContact CB-CD1 4.01Å; P92-L130 HydrophobicContact CB-CG 3.87Å; P92-L130 HydrophobicContact CG-CD1 4.05Å; P92-L130 HydrophobicContact CG-CG 4.16Å; F95-L130 HydrophobicContact CD2-CD1 3.58Å; F95-L130 HydrophobicContact CE2-CD1 3.39Å; F95-L130 HydrophobicContact CG-CD1 4.3Å; F95-L130 HydrophobicContact CZ-CD1 3.98Å; V103-L130 HydrophobicContact CG2-CD2 4.45Å; I117-L130 HydrophobicContact CD1-CD1 4.42Å; R126-L130 WeakPolarHBondContact O-CB 3.33Å; R126-L130 PolarHBondContact O-N 3.02Å; V127-L130 WeakPolarHBondContact O-CB 3.46Å; V127-L130 PolarHBondContact O-N 3.49Å; L130-S133 PolarHBondContact O-N 3.06Å; L130-S133 PolarHBondContact O-OG 3.32Å |
| 131 | F | 86 | Confident | 80.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.3 | -36.7 | 178.7 | -70.4 | -53.2 | 0 | 0 | 0 | 112.7 | L48 L49 F83 V103 V127 Q128 S133 V134 G135 L136 V138 | L48-F131 HydrophobicContact CD2-CE2 4.32Å; L48-F131 HydrophobicContact CD2-CZ 3.85Å; L49-F131 HydrophobicContact CD2-CD1 3.98Å; L49-F131 HydrophobicContact CD2-CD2 4.04Å; L49-F131 HydrophobicContact CD2-CE1 3.82Å; L49-F131 HydrophobicContact CD2-CE2 3.86Å; L49-F131 HydrophobicContact CD2-CG 4.11Å; L49-F131 HydrophobicContact CD2-CZ 3.76Å; F83-F131 AromaticContact CE2-CE1 3.92Å; F83-F131 HydrophobicContact CE2-CE1 3.92Å; F83-F131 HydrophobicContact CE2-CZ 4.11Å; F83-F131 AromaticContact CZ-CE1 3.89Å; F83-F131 HydrophobicContact CZ-CE1 3.89Å; F83-F131 HydrophobicContact CZ-CZ 4.25Å; V103-F131 HydrophobicContact CB-CZ 4.36Å; V103-F131 HydrophobicContact CG1-CE2 4.44Å; V103-F131 HydrophobicContact CG1-CZ 4.18Å; V103-F131 HydrophobicContact CG2-CZ 4.03Å; V127-F131 HydrophobicContact CG1-CD2 3.76Å; V127-F131 HydrophobicContact CG1-CE2 3.46Å; V127-F131 VanDerWaalsContact CG1-CE2 3.46Å; V127-F131 VanDerWaalsContact O-CD2 3.28Å; V127-F131 WeakPolarHBondContact O-CD2 3.38Å; V127-F131 PolarHBondContact O-N 3.26Å; Q128-F131 PolarHBondContact O-N 2.98Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.42Å; F131-V134 WeakPolarHBondContact O-CG2 3.45Å; F131-V134 PolarHBondContact O-N 3.42Å; F131-G135 PolarHBondContact O-N 3.23Å; F131-L136 CarbonylContact C-O 3.59Å; F131-L136 HydrophobicContact CB-CB 4.01Å; F131-L136 VanDerWaalsContact CB-O 3.31Å; F131-L136 WeakPolarHBondContact CB-O 3.18Å; F131-L136 HydrophobicContact CD1-CD1 4.13Å; F131-L136 CarbonylContact O-C 3.56Å; F131-L136 WeakPolarHBondContact O-CA 3.31Å; F131-L136 WeakPolarHBondContact O-CB 3.49Å; F131-L136 PolarHBondContact O-N 2.98Å; F131-V138 HydrophobicContact CB-CG2 4.03Å; F131-V138 HydrophobicContact CD2-CG2 4.17Å; F131-V138 HydrophobicContact CG-CG2 4.47Å |
| 132 | C | 79.4 | Confident | 79.5 | Confident | 39 Ų | 39 | 46.1 Ų | 46.1 | 26% | 0.264 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -37.5 | 174.3 | -78.3 | 0 | 0 | 0 | 0 | 112.6 | Q128 D129 V134 G135 L136 | Q128-C132 WeakPolarHBondContact O-CB 3.37Å; Q128-C132 PolarHBondContact O-N 3Å; Q128-C132 PolarHBondContact O-SG 3.43Å; D129-C132 PolarHBondContact O-N 3.46Å; C132-V134 PolarHBondContact O-N 2.81Å; C132-G135 PolarHBondContact O-N 3.49Å; C132-L136 PolarHBondContact N-O 3.28Å |
| 133 | S | 77.8 | Confident | 78.9 | Confident | 53 Ų | 53 | 46 Ų | 46 | 37% | 0.371 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.2 | -27.4 | -179.7 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | P92 D129 L130 F131 | P92-S133 VanDerWaalsContact CA-OG 3.27Å; P92-S133 WeakPolarHBondContact CA-OG 3.49Å; P92-S133 VanDerWaalsContact CB-OG 3.23Å; P92-S133 WeakPolarHBondContact CB-OG 3.33Å; D129-S133 WeakPolarHBondContact O-CB 3.3Å; D129-S133 PolarHBondContact O-N 2.99Å; L130-S133 PolarHBondContact O-N 3.06Å; L130-S133 PolarHBondContact O-OG 3.32Å; F131-S133 VanDerWaalsContact C-N 3.31Å; F131-S133 PolarHBondContact O-N 3.42Å |
| 134 | V | 78.6 | Confident | 78.5 | Confident | 17 Ų | 17 | 40.5 Ų | 40.5 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 12.6 | 175.4 | -59.4 | 0 | 0 | 0 | 0 | 113.2 | M1 Q90 P92 F131 C132 L136 P1108 | M1-V134 HydrophobicContact SD-CB 4.29Å; M1-V134 HydrophobicContact SD-CG1 3.9Å; M1-V134 HydrophobicContact SD-CG2 4.03Å; Q90-V134 WeakPolarHBondContact O-CG1 3.43Å; P92-V134 HydrophobicContact CB-CG1 3.88Å; P92-V134 HydrophobicContact CG-CG1 4.05Å; F131-V134 WeakPolarHBondContact O-CG2 3.45Å; F131-V134 PolarHBondContact O-N 3.42Å; C132-V134 PolarHBondContact O-N 2.81Å; V134-L136 HydrophobicContact CG2-CB 4.38Å; V134-L136 HydrophobicContact CG2-CD1 4.09Å; V134-L136 HydrophobicContact CG2-CG 4.22Å; V134-P1108 VanDerWaalsContact O-CD 3.27Å; V134-P1108 WeakPolarHBondContact O-CD 3.21Å; V134-P1108 WeakPolarHBondContact O-CG 3.45Å |
| 135 | G | 75.1 | Confident | 78.4 | Confident | 40 Ų | 40 | 37.4 Ų | 37.4 | 41% | 0.412 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F131 C132 N137 | F131-G135 PolarHBondContact O-N 3.23Å; C132-G135 PolarHBondContact O-N 3.49Å; G135-N137 PolarHBondContact O-N 2.84Å |
| 136 | L | 79.6 | Confident | 78.1 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | trans | -95.9 | 84.4 | 175.3 | -65.2 | 173.4 | 0 | 0 | 0 | 110.2 | F131 C132 V134 V138 F143 A1107 P1108 I1109 | F131-L136 CarbonylContact C-O 3.59Å; F131-L136 HydrophobicContact CB-CB 4.01Å; F131-L136 VanDerWaalsContact CB-O 3.31Å; F131-L136 WeakPolarHBondContact CB-O 3.18Å; F131-L136 HydrophobicContact CD1-CD1 4.13Å; F131-L136 CarbonylContact O-C 3.56Å; F131-L136 WeakPolarHBondContact O-CA 3.31Å; F131-L136 WeakPolarHBondContact O-CB 3.49Å; F131-L136 PolarHBondContact O-N 2.98Å; C132-L136 PolarHBondContact N-O 3.28Å; V134-L136 HydrophobicContact CG2-CB 4.38Å; V134-L136 HydrophobicContact CG2-CD1 4.09Å; V134-L136 HydrophobicContact CG2-CG 4.22Å; L136-V138 PolarHBondContact O-N 2.88Å; L136-F143 HydrophobicContact CB-CE1 4.31Å; L136-F143 HydrophobicContact CD2-CB 4.47Å; L136-F143 HydrophobicContact CD2-CD1 3.87Å; L136-F143 HydrophobicContact CD2-CD2 4.21Å; L136-F143 HydrophobicContact CD2-CE1 4.16Å; L136-F143 HydrophobicContact CD2-CE2 4.49Å; L136-F143 HydrophobicContact CD2-CG 3.91Å; L136-F143 HydrophobicContact CD2-CZ 4.48Å; L136-A1107 HydrophobicContact CD2-CB 4.26Å; L136-P1108 HydrophobicContact CD1-CG 3.97Å; L136-P1108 HydrophobicContact CD2-CG 3.92Å; L136-P1108 HydrophobicContact CG-CG 3.73Å; L136-I1109 HydrophobicContact CD1-CD1 4.15Å; L136-I1109 HydrophobicContact CD2-CB 4.44Å | ||
| 137 | N | 75.4 | Confident | 77.7 | Confident | 39 Ų | 39 | 32.3 Ų | 32.3 | 21% | 0.209 | 18% | 0.184 | C | C | . | . | trans | -79 | 104.9 | 178.2 | -170.5 | -7 | 0 | 0 | 0 | 111.4 | G135 N139 N140 | G135-N137 PolarHBondContact O-N 2.84Å; N137-N139 VanDerWaalsContact C-N 3.31Å; N137-N139 PolarHBondContact O-N 3.34Å; N137-N139 PolarHBondContact OD1-N 3.25Å; N137-N139 VanDerWaalsContact OD1-N 3.16Å; N137-N140 CarbonylContact O-C 3.52Å; N137-N140 PolarHBondContact O-N 3Å | ||
| 138 | V | 70.4 | Confident | 77 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -31.2 | -178.3 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | L49 G50 I51 F131 L136 N140 | L49-V138 HydrophobicContact CB-CG2 4.49Å; L49-V138 WeakPolarHBondContact O-CG1 3.24Å; L49-V138 WeakPolarHBondContact O-CG2 3.45Å; G50-V138 WeakPolarHBondContact O-CG1 3.26Å; I51-V138 HydrophobicContact CG1-CG1 4.1Å; F131-V138 HydrophobicContact CB-CG2 4.03Å; F131-V138 HydrophobicContact CD2-CG2 4.17Å; F131-V138 HydrophobicContact CG-CG2 4.47Å; L136-V138 PolarHBondContact O-N 2.88Å; V138-N140 PolarHBondContact O-N 2.81Å |
| 139 | N | 65.9 | Low | 76.6 | Confident | 97 Ų | 97 | 35.4 Ų | 35.4 | 52% | 0.519 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22.9 | -175.2 | -69 | -37.2 | 0 | 0 | 0 | 112.3 | N137 | N137-N139 VanDerWaalsContact C-N 3.31Å; N137-N139 PolarHBondContact O-N 3.34Å; N137-N139 PolarHBondContact OD1-N 3.25Å; N137-N139 VanDerWaalsContact OD1-N 3.16Å |
| 140 | N | 66.8 | Low | 76.5 | Confident | 36 Ų | 36 | 31.6 Ų | 31.6 | 19% | 0.193 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -153.8 | 94.5 | 172.8 | -164.2 | -12.1 | 0 | 0 | 0 | 109.6 | N137 V138 H142 E167 | N137-N140 CarbonylContact O-C 3.52Å; N137-N140 PolarHBondContact O-N 3Å; V138-N140 PolarHBondContact O-N 2.81Å; N140-H142 PolarHBondContact O-N 3.27Å; N140-H142 VanDerWaalsContact O-N 3.08Å; N140-E167 WeakPolarHBondContact CB-OE1 3.42Å; N140-E167 PolarHBondContact ND2-OE1 2.96Å; N140-E167 PolarHBondContact ND2-OE2 3.04Å; N140-E167 PolarHBondContact OD1-OE1 3.36Å |
| 141 | P | 65.4 | Low | 76.1 | Confident | 21 Ų | 21 | 34.8 Ų | 34.8 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | trans | -87.1 | 86.1 | -162.7 | 34 | -35.5 | 0 | 0 | 0 | 110.4 | I51 F143 L144 | I51-P141 HydrophobicContact CD1-CG 4.4Å; P141-F143 HydrophobicContact CB-CD1 4.13Å; P141-F143 HydrophobicContact CB-CE1 3.63Å; P141-F143 HydrophobicContact CB-CE2 4.28Å; P141-F143 HydrophobicContact CB-CZ 3.7Å; P141-F143 PolarHBondContact O-N 2.93Å; P141-L144 HydrophobicContact CB-CB 3.76Å; P141-L144 HydrophobicContact CG-CB 4.02Å; P141-L144 HydrophobicContact CG-CD2 4.12Å; P141-L144 PolarHBondContact O-N 2.83Å | ||
| 142 | H | 71.6 | Confident | 75.7 | Confident | 42 Ų | 42 | 40.6 Ų | 40.6 | 19% | 0.194 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.8 | 169.5 | -68.5 | -51.7 | 0 | 0 | 0 | 112.9 | N140 L144 E167 L1102 | N140-H142 PolarHBondContact O-N 3.27Å; N140-H142 VanDerWaalsContact O-N 3.08Å; H142-L144 PolarHBondContact O-N 3.46Å; H142-E167 IonicContact CD2-OE1 2.61Å; H142-E167 IonicContact CE1-OE1 3.24Å; H142-E167 PolarHBondContact CE1-OE1 2.82Å; H142-E167 VanDerWaalsContact CE1-OE1 3.27Å; H142-E167 IonicContact CE1-OE2 3.23Å; H142-E167 PolarHBondContact CE1-OE2 3.06Å; H142-E167 IonicContact ND1-OE1 2.73Å; H142-E167 WeakPolarHBondContact NE2-CB 3.43Å; H142-E167 WeakPolarHBondContact NE2-CG 3.44Å; H142-E167 IonicContact NE2-OE1 3.8Å; H142-E167 PolarHBondContact NE2-OE1 2.85Å; H142-E167 IonicContact NE2-OE2 3.55Å; H142-L1102 WeakPolarHBondContact O-CD2 3.12Å |
| 143 | F | 78.5 | Confident | 75.7 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -6.4 | 178.1 | 66.5 | -93 | 0 | 0 | 0 | 114.1 | L49 L136 P141 A1107 I1109 Y1110 I1111 | L49-F143 HydrophobicContact CD1-CE2 3.52Å; L49-F143 HydrophobicContact CD1-CZ 3.74Å; L136-F143 HydrophobicContact CB-CE1 4.31Å; L136-F143 HydrophobicContact CD2-CB 4.47Å; L136-F143 HydrophobicContact CD2-CD1 3.87Å; L136-F143 HydrophobicContact CD2-CD2 4.21Å; L136-F143 HydrophobicContact CD2-CE1 4.16Å; L136-F143 HydrophobicContact CD2-CE2 4.49Å; L136-F143 HydrophobicContact CD2-CG 3.91Å; L136-F143 HydrophobicContact CD2-CZ 4.48Å; P141-F143 HydrophobicContact CB-CD1 4.13Å; P141-F143 HydrophobicContact CB-CE1 3.63Å; P141-F143 HydrophobicContact CB-CE2 4.28Å; P141-F143 HydrophobicContact CB-CZ 3.7Å; P141-F143 PolarHBondContact O-N 2.93Å; F143-A1107 HydrophobicContact CB-CB 4.05Å; F143-I1109 VanDerWaalsContact CB-O 3.25Å; F143-I1109 WeakPolarHBondContact CB-O 3.5Å; F143-Y1110 HydrophobicContact CB-CD1 3.71Å; F143-Y1110 HydrophobicContact CB-CE1 3.92Å; F143-Y1110 WeakPolarHBondContact O-CA 3.47Å; F143-I1111 PolarHBondContact O-N 3.32Å |
| 144 | L | 81.4 | Confident | 75.7 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 117.4 | -178.5 | -178.2 | 68.7 | 0 | 0 | 0 | 110.5 | I51 P141 H142 M146 I1111 | I51-L144 HydrophobicContact CD1-CD2 3.48Å; I51-L144 VanDerWaalsContact CD1-CD2 3.48Å; P141-L144 HydrophobicContact CB-CB 3.76Å; P141-L144 HydrophobicContact CG-CB 4.02Å; P141-L144 HydrophobicContact CG-CD2 4.12Å; P141-L144 PolarHBondContact O-N 2.83Å; H142-L144 PolarHBondContact O-N 3.46Å; L144-M146 HydrophobicContact CD1-CE 4.02Å; L144-M146 HydrophobicContact CD1-CG 4.18Å; L144-M146 HydrophobicContact CD1-SD 3.57Å; L144-M146 VanDerWaalsContact CD1-SD 3.57Å; L144-M146 HydrophobicContact CD2-CE 4.17Å; L144-M146 HydrophobicContact CD2-CG 3.91Å; L144-M146 HydrophobicContact CD2-SD 4.22Å; L144-M146 HydrophobicContact CG-CE 4.46Å; L144-M146 HydrophobicContact CG-CG 3.85Å; L144-M146 HydrophobicContact CG-SD 3.95Å; L144-I1111 HydrophobicContact CD1-CB 3.67Å; L144-I1111 HydrophobicContact CD1-CD1 4.19Å; L144-I1111 HydrophobicContact CD1-CG2 3.58Å |
| 145 | I | 83.1 | Confident | 75.8 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 91.7 | 177.3 | -58.8 | 147.6 | 0 | 0 | 0 | 107.5 | I150 I1098 L1102 I1111 L1112 D1113 V1115 | I145-I150 HydrophobicContact CG2-CG1 4.18Å; I145-I1098 HydrophobicContact CD1-CG2 3.35Å; I145-I1098 HydrophobicContact CG1-CG2 3.87Å; I145-L1102 HydrophobicContact CD1-CD1 4.33Å; I145-I1111 PolarHBondContact N-O 3.07Å; I145-L1112 HydrophobicContact CB-CD2 3.79Å; I145-L1112 HydrophobicContact CD1-CD2 3.24Å; I145-L1112 HydrophobicContact CG1-CD2 4.08Å; I145-L1112 HydrophobicContact CG2-CD2 4.38Å; I145-D1113 PolarHBondContact O-N 3.49Å; I145-V1115 HydrophobicContact CB-CG1 4.4Å; I145-V1115 HydrophobicContact CG2-CG1 3.67Å |
| 146 | M | 79.8 | Confident | 76.2 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 7% | 0.069 | 22% | 0.223 | C | C | . | . | trans | -80 | 160.5 | 175.3 | -63.7 | -50.8 | -137.4 | 0 | 0 | 111.9 | C46 H56 L144 G148 R149 D1113 | C46-M146 VanDerWaalsContact SG-CE 3.52Å; H56-M146 WeakPolarHBondContact O-CE 3.44Å; L144-M146 HydrophobicContact CD1-CE 4.02Å; L144-M146 HydrophobicContact CD1-CG 4.18Å; L144-M146 HydrophobicContact CD1-SD 3.57Å; L144-M146 VanDerWaalsContact CD1-SD 3.57Å; L144-M146 HydrophobicContact CD2-CE 4.17Å; L144-M146 HydrophobicContact CD2-CG 3.91Å; L144-M146 HydrophobicContact CD2-SD 4.22Å; L144-M146 HydrophobicContact CG-CE 4.46Å; L144-M146 HydrophobicContact CG-CG 3.85Å; L144-M146 HydrophobicContact CG-SD 3.95Å; M146-G148 PolarHBondContact O-N 3.04Å; M146-R149 WeakPolarHBondContact O-CB 3.45Å; M146-R149 PolarHBondContact O-N 3.17Å; M146-D1113 HydrophobicContact SD-CB 3.97Å | ||
| 147 | Q | 76.1 | Confident | 76.5 | Confident | 117 Ų | 117 | 48.9 Ų | 48.9 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 133.4 | 169.9 | -165.4 | 179.2 | 17.6 | 0 | 0 | 111.5 | R149 | Q147-R149 VanDerWaalsContact C-N 3.27Å; Q147-R149 PolarHBondContact O-N 3.32Å |
| 148 | G | 73.6 | Confident | 77 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 43% | 0.433 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -7.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | M146 I150 T151 K152 | M146-G148 PolarHBondContact O-N 3.04Å; G148-I150 VanDerWaalsContact C-N 3.33Å; G148-T151 PolarHBondContact O-OG1 3.5Å; G148-K152 PolarHBondContact O-N 3.14Å; G148-K152 VanDerWaalsContact O-N 3.14Å |
| 149 | R | 76.6 | Confident | 77.7 | Confident | 56 Ų | 56 | 52.8 Ų | 52.8 | 21% | 0.211 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.3 | -36 | 172.7 | -172.9 | 62.2 | 177.5 | -156.9 | 0.2 | 111.7 | M146 Q147 K152 V153 | M146-R149 WeakPolarHBondContact O-CB 3.45Å; M146-R149 PolarHBondContact O-N 3.17Å; Q147-R149 VanDerWaalsContact C-N 3.27Å; Q147-R149 PolarHBondContact O-N 3.32Å; R149-K152 WeakPolarHBondContact O-CB 3.39Å; R149-K152 PolarHBondContact O-N 3.25Å; R149-V153 WeakPolarHBondContact O-CG2 3.38Å; R149-V153 PolarHBondContact O-N 2.84Å |
| 150 | I | 79.3 | Confident | 78.6 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 9% | 0.092 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 178.5 | -62.4 | 175.9 | 0 | 0 | 0 | 110.8 | I145 G148 K152 V153 L154 A1094 I1098 V1115 | I145-I150 HydrophobicContact CG2-CG1 4.18Å; G148-I150 VanDerWaalsContact C-N 3.33Å; I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 3.14Å; I150-V153 PolarHBondContact O-N 3.45Å; I150-L154 PolarHBondContact O-N 3.22Å; I150-A1094 HydrophobicContact CG2-CB 3.9Å; I150-I1098 HydrophobicContact CG1-CD1 4.46Å; I150-V1115 HydrophobicContact CD1-CB 3.83Å; I150-V1115 HydrophobicContact CD1-CG1 3.94Å |
| 151 | T | 76.9 | Confident | 79.4 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 176.3 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | G148 L154 N155 | G148-T151 PolarHBondContact O-OG1 3.5Å; T151-L154 PolarHBondContact O-N 2.97Å; T151-N155 PolarHBondContact O-N 3.18Å; T151-N155 PolarHBondContact O-ND2 3.11Å |
| 152 | K | 78.6 | Confident | 80.4 | Confident | 121 Ų | 121 | 50.3 Ų | 50.3 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 174.1 | -170.1 | 173.7 | -177.9 | 172.9 | 0 | 112 | G148 R149 I150 L154 N155 M156 | G148-K152 PolarHBondContact O-N 3.14Å; G148-K152 VanDerWaalsContact O-N 3.14Å; R149-K152 WeakPolarHBondContact O-CB 3.39Å; R149-K152 PolarHBondContact O-N 3.25Å; I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 3.14Å; K152-L154 PolarHBondContact O-N 3.37Å; K152-N155 PolarHBondContact O-N 3.38Å; K152-N155 VanDerWaalsContact O-N 3.13Å; K152-M156 HydrophobicContact CG-CE 4.12Å; K152-M156 WeakPolarHBondContact O-CG 3.48Å; K152-M156 PolarHBondContact O-N 3.02Å |
| 153 | V | 80.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -34.9 | 179.2 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | R149 I150 N155 M156 M164 F1070 A1094 L1097 I1098 | R149-V153 WeakPolarHBondContact O-CG2 3.38Å; R149-V153 PolarHBondContact O-N 2.84Å; I150-V153 PolarHBondContact O-N 3.45Å; V153-N155 VanDerWaalsContact C-N 3.32Å; V153-N155 PolarHBondContact O-N 2.74Å; V153-M156 HydrophobicContact CG2-CE 3.91Å; V153-M156 HydrophobicContact CG2-SD 4.42Å; V153-M156 PolarHBondContact O-N 3.08Å; V153-M164 HydrophobicContact CG2-CE 4.15Å; V153-M164 HydrophobicContact CG2-SD 4.24Å; V153-F1070 HydrophobicContact CG1-CZ 4.26Å; V153-A1094 HydrophobicContact CB-CB 4.13Å; V153-A1094 HydrophobicContact CG1-CB 3.9Å; V153-L1097 HydrophobicContact CG1-CD2 4.27Å; V153-I1098 HydrophobicContact CG2-CD1 4.21Å; V153-I1098 HydrophobicContact CG2-CG1 4.45Å |
| 154 | L | 77 | Confident | 80.9 | Confident | 25 Ų | 25 | 49.6 Ų | 49.6 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -33.1 | 176.4 | -71.8 | 163.9 | 0 | 0 | 0 | 113.8 | I150 T151 K152 R1090 A1094 | I150-L154 PolarHBondContact O-N 3.22Å; T151-L154 PolarHBondContact O-N 2.97Å; K152-L154 PolarHBondContact O-N 3.37Å; L154-R1090 HydrophobicContact CD1-CB 3.84Å; L154-R1090 HydrophobicContact CD2-CB 4.13Å; L154-R1090 WeakPolarHBondContact CD2-O 3.4Å; L154-A1094 HydrophobicContact CD1-CB 4.3Å; L154-A1094 HydrophobicContact CD2-CB 3.78Å; L154-A1094 HydrophobicContact CG-CB 3.64Å |
| 155 | N | 81.3 | Confident | 81 | Confident | 135 Ų | 135 | 49.2 Ų | 49.2 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 11.2 | -176.3 | -64.5 | -30.1 | 0 | 0 | 0 | 112.7 | T151 K152 V153 | T151-N155 PolarHBondContact O-N 3.18Å; T151-N155 PolarHBondContact O-ND2 3.11Å; K152-N155 PolarHBondContact O-N 3.38Å; K152-N155 VanDerWaalsContact O-N 3.13Å; V153-N155 VanDerWaalsContact C-N 3.32Å; V153-N155 PolarHBondContact O-N 2.74Å |
| 156 | M | 82.3 | Confident | 80.9 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 11% | 0.108 | 27% | 0.269 | C | S | . | . | trans | -71.3 | 140.2 | 179.7 | -77.5 | -174.4 | -175.2 | 0 | 0 | 111.5 | K152 V153 E160 I161 M164 | K152-M156 HydrophobicContact CG-CE 4.12Å; K152-M156 WeakPolarHBondContact O-CG 3.48Å; K152-M156 PolarHBondContact O-N 3.02Å; V153-M156 HydrophobicContact CG2-CE 3.91Å; V153-M156 HydrophobicContact CG2-SD 4.42Å; V153-M156 PolarHBondContact O-N 3.08Å; M156-E160 WeakPolarHBondContact CA-OE2 3.33Å; M156-E160 HydrophobicContact CB-CB 4Å; M156-E160 HydrophobicContact CG-CB 4.2Å; M156-E160 HydrophobicContact SD-CB 4.35Å; M156-I161 HydrophobicContact CB-CD1 4.44Å; M156-I161 HydrophobicContact CB-CG1 3.81Å; M156-M164 HydrophobicContact CE-SD 3.65Å; M156-M164 HydrophobicContact SD-CG 4.2Å; M156-M164 HydrophobicContact SD-SD 3.2Å | ||
| 157 | K | 85.6 | Confident | 80.7 | Confident | 144 Ų | 144 | 51 Ų | 51 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | trans | -73.2 | 158.2 | 173.8 | -65.4 | -177.4 | 179.6 | 179.6 | 0 | 110.5 | P159 E160 I161 | K157-P159 VanDerWaalsContact C-CD 3.44Å; K157-P159 VanDerWaalsContact C-N 3.33Å; K157-E160 HydrophobicContact CB-CG 4.3Å; K157-E160 PolarHBondContact N-OE2 3.5Å; K157-E160 VanDerWaalsContact N-OE2 3.16Å; K157-E160 WeakPolarHBondContact O-CA 3.49Å; K157-E160 WeakPolarHBondContact O-CB 3.13Å; K157-E160 PolarHBondContact O-N 3.48Å; K157-I161 PolarHBondContact O-N 2.86Å; K157-I161 VanDerWaalsContact O-N 3.15Å | ||
| 158 | P | 86.4 | Confident | 80.6 | Confident | 46 Ų | 46 | 45.7 Ų | 45.7 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -52.6 | -38.7 | -179.1 | -26.8 | 33.6 | 0 | 0 | 0 | 116.2 | E160 I161 L162 P1059 G1067 L1068 | P158-E160 VanDerWaalsContact C-N 3.3Å; P158-E160 PolarHBondContact O-N 2.85Å; P158-I161 PolarHBondContact O-N 3.01Å; P158-L162 PolarHBondContact O-N 3.37Å; P158-L162 VanDerWaalsContact O-N 3.15Å; P158-P1059 HydrophobicContact CB-CG 4.03Å; P158-P1059 HydrophobicContact CG-CG 4.31Å; P158-G1067 WeakPolarHBondContact O-CA 3.13Å; P158-L1068 WeakPolarHBondContact CA-O 3.4Å; P158-L1068 PolarHBondContact O-N 3.46Å |
| 159 | P | 85.1 | Confident | 80.8 | Confident | 77 Ų | 77 | 44.8 Ų | 44.8 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.4 | -27.7 | 174.5 | -20.6 | 34 | 0 | 0 | 0 | 113.5 | K157 A163 | K157-P159 VanDerWaalsContact C-CD 3.44Å; K157-P159 VanDerWaalsContact C-N 3.33Å; P159-A163 WeakPolarHBondContact O-CB 3.49Å; P159-A163 PolarHBondContact O-N 2.87Å |
| 160 | E | 84.2 | Confident | 80.8 | Confident | 90 Ų | 90 | 43.6 Ų | 43.6 | 42% | 0.421 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -75 | -36.7 | 179.1 | -61.8 | 176.7 | 173.3 | 0 | 0 | 111.2 | M156 K157 P158 A163 M164 | M156-E160 WeakPolarHBondContact CA-OE2 3.33Å; M156-E160 HydrophobicContact CB-CB 4Å; M156-E160 HydrophobicContact CG-CB 4.2Å; M156-E160 HydrophobicContact SD-CB 4.35Å; K157-E160 HydrophobicContact CB-CG 4.3Å; K157-E160 PolarHBondContact N-OE2 3.5Å; K157-E160 VanDerWaalsContact N-OE2 3.16Å; K157-E160 WeakPolarHBondContact O-CA 3.49Å; K157-E160 WeakPolarHBondContact O-CB 3.13Å; K157-E160 PolarHBondContact O-N 3.48Å; P158-E160 VanDerWaalsContact C-N 3.3Å; P158-E160 PolarHBondContact O-N 2.85Å; E160-A163 PolarHBondContact O-N 3.29Å; E160-M164 PolarHBondContact O-N 2.99Å |
| 161 | I | 84.5 | Confident | 80.7 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -43 | 172.7 | -62 | 169.2 | 0 | 0 | 0 | 109.9 | M156 K157 P158 A163 M164 I165 L1056 L1068 F1070 | M156-I161 HydrophobicContact CB-CD1 4.44Å; M156-I161 HydrophobicContact CB-CG1 3.81Å; K157-I161 PolarHBondContact O-N 2.86Å; K157-I161 VanDerWaalsContact O-N 3.15Å; P158-I161 PolarHBondContact O-N 3.01Å; I161-A163 VanDerWaalsContact C-N 3.34Å; I161-A163 PolarHBondContact O-N 3.35Å; I161-M164 WeakPolarHBondContact O-CB 3.32Å; I161-M164 PolarHBondContact O-N 3.29Å; I161-M164 VanDerWaalsContact O-N 3.16Å; I161-I165 PolarHBondContact O-N 3.1Å; I161-L1056 HydrophobicContact CG2-CD2 4.31Å; I161-L1068 HydrophobicContact CB-CB 4.44Å; I161-L1068 VanDerWaalsContact CD1-O 3.31Å; I161-L1068 WeakPolarHBondContact CD1-O 3.25Å; I161-L1068 HydrophobicContact CG2-CB 3.95Å; I161-F1070 HydrophobicContact CD1-CD2 3.7Å; I161-F1070 HydrophobicContact CD1-CE2 3.39Å; I161-F1070 HydrophobicContact CD1-CZ 4.21Å; I161-F1070 HydrophobicContact CG1-CE2 4.2Å |
| 162 | L | 86 | Confident | 80.4 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 172.5 | 176.9 | 63.3 | 0 | 0 | 0 | 111.5 | P158 M164 I165 E166 L1030 V1064 L1065 L1068 | P158-L162 PolarHBondContact O-N 3.37Å; P158-L162 VanDerWaalsContact O-N 3.15Å; L162-M164 PolarHBondContact O-N 3.45Å; L162-I165 PolarHBondContact O-N 3.43Å; L162-E166 HydrophobicContact CG-CG 4.43Å; L162-E166 PolarHBondContact O-N 3.48Å; L162-L1030 HydrophobicContact CD1-CD1 4.15Å; L162-L1030 HydrophobicContact CD1-CD2 4.14Å; L162-V1064 WeakPolarHBondContact CD1-O 3.2Å; L162-L1065 VanDerWaalsContact CD2-C 3.47Å; L162-L1065 WeakPolarHBondContact CD2-O 3.44Å; L162-L1068 HydrophobicContact CD1-CD1 4.19Å |
| 163 | A | 81.9 | Confident | 79.9 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -29.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P159 E160 I161 E167 | P159-A163 WeakPolarHBondContact O-CB 3.49Å; P159-A163 PolarHBondContact O-N 2.87Å; E160-A163 PolarHBondContact O-N 3.29Å; I161-A163 VanDerWaalsContact C-N 3.34Å; I161-A163 PolarHBondContact O-N 3.35Å; A163-E167 VanDerWaalsContact O-CB 3.29Å; A163-E167 WeakPolarHBondContact O-CB 3.34Å; A163-E167 PolarHBondContact O-N 3.1Å |
| 164 | M | 79.3 | Confident | 79.8 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 5% | 0.054 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.1 | -39 | 171.5 | -74.2 | -175.9 | 57.1 | 0 | 0 | 112.5 | V153 M156 E160 I161 L162 E167 A168 M1101 | V153-M164 HydrophobicContact CG2-CE 4.15Å; V153-M164 HydrophobicContact CG2-SD 4.24Å; M156-M164 HydrophobicContact CE-SD 3.65Å; M156-M164 HydrophobicContact SD-CG 4.2Å; M156-M164 HydrophobicContact SD-SD 3.2Å; E160-M164 PolarHBondContact O-N 2.99Å; I161-M164 WeakPolarHBondContact O-CB 3.32Å; I161-M164 PolarHBondContact O-N 3.29Å; I161-M164 VanDerWaalsContact O-N 3.16Å; L162-M164 PolarHBondContact O-N 3.45Å; M164-E167 PolarHBondContact O-N 3.12Å; M164-A168 PolarHBondContact O-N 3.33Å; M164-M1101 HydrophobicContact CB-SD 4.19Å; M164-M1101 HydrophobicContact CE-CE 3.14Å; M164-M1101 HydrophobicContact CE-SD 3.74Å |
| 165 | I | 83.9 | Confident | 79.6 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72 | -40.9 | 176 | -59.1 | -170 | 0 | 0 | 0 | 111.4 | I161 L162 E167 A168 A169 A1033 L1056 L1068 | I161-I165 PolarHBondContact O-N 3.1Å; L162-I165 PolarHBondContact O-N 3.43Å; I165-E167 PolarHBondContact O-N 3.31Å; I165-A168 PolarHBondContact O-N 3.01Å; I165-A169 VanDerWaalsContact O-CB 3.32Å; I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.37Å; I165-A1033 HydrophobicContact CG2-CB 4.07Å; I165-L1056 HydrophobicContact CD1-CD1 3.76Å; I165-L1068 HydrophobicContact CD1-CD1 3.28Å; I165-L1068 HydrophobicContact CG1-CD1 4.25Å |
| 166 | E | 80.3 | Confident | 79.1 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 18% | 0.178 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.9 | -38.2 | 172.8 | -80.3 | -174.1 | 155.6 | 0 | 0 | 111.8 | L162 G170 T171 R172 L1030 | L162-E166 HydrophobicContact CG-CG 4.43Å; L162-E166 PolarHBondContact O-N 3.48Å; E166-G170 PolarHBondContact O-N 3.02Å; E166-T171 VanDerWaalsContact CA-OG1 3.3Å; E166-T171 WeakPolarHBondContact CA-OG1 3.43Å; E166-T171 PolarHBondContact O-N 3.42Å; E166-T171 PolarHBondContact O-OG1 2.89Å; E166-R172 PolarHBondContact O-N 3.39Å; E166-L1030 HydrophobicContact CB-CD1 4.15Å; E166-L1030 HydrophobicContact CG-CD1 3.26Å |
| 167 | E | 76.1 | Confident | 78.8 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.8 | -42.7 | -179.6 | -164.9 | -169.2 | 153.5 | 0 | 0 | 112.9 | N140 H142 A163 M164 I165 A169 G170 R172 | N140-E167 WeakPolarHBondContact CB-OE1 3.42Å; N140-E167 PolarHBondContact ND2-OE1 2.96Å; N140-E167 PolarHBondContact ND2-OE2 3.04Å; N140-E167 PolarHBondContact OD1-OE1 3.36Å; H142-E167 IonicContact CD2-OE1 2.61Å; H142-E167 IonicContact CE1-OE1 3.24Å; H142-E167 PolarHBondContact CE1-OE1 2.82Å; H142-E167 VanDerWaalsContact CE1-OE1 3.27Å; H142-E167 IonicContact CE1-OE2 3.23Å; H142-E167 PolarHBondContact CE1-OE2 3.06Å; H142-E167 IonicContact ND1-OE1 2.73Å; H142-E167 WeakPolarHBondContact NE2-CB 3.43Å; H142-E167 WeakPolarHBondContact NE2-CG 3.44Å; H142-E167 IonicContact NE2-OE1 3.8Å; H142-E167 PolarHBondContact NE2-OE1 2.85Å; H142-E167 IonicContact NE2-OE2 3.55Å; A163-E167 VanDerWaalsContact O-CB 3.29Å; A163-E167 WeakPolarHBondContact O-CB 3.34Å; A163-E167 PolarHBondContact O-N 3.1Å; M164-E167 PolarHBondContact O-N 3.12Å; I165-E167 PolarHBondContact O-N 3.31Å; E167-A169 VanDerWaalsContact C-N 3.25Å; E167-A169 PolarHBondContact O-N 3.16Å; E167-G170 WeakPolarHBondContact O-CA 3.44Å; E167-G170 PolarHBondContact O-N 3.1Å; E167-R172 HydrophobicContact CB-CB 4.5Å; E167-R172 IonicContact OE2-NH1 2.71Å |
| 168 | A | 74.4 | Confident | 78.6 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -38.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M164 I165 G170 F1104 K1105 | M164-A168 PolarHBondContact O-N 3.33Å; I165-A168 PolarHBondContact O-N 3.01Å; A168-G170 PolarHBondContact O-N 3.4Å; A168-F1104 HydrophobicContact CB-CD1 4.33Å; A168-K1105 VanDerWaalsContact O-CD 3.32Å; A168-K1105 WeakPolarHBondContact O-CD 3.23Å |
| 169 | A | 77.8 | Confident | 78.3 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 19% | 0.19 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I165 E167 T171 A1033 | I165-A169 VanDerWaalsContact O-CB 3.32Å; I165-A169 WeakPolarHBondContact O-CB 3.44Å; I165-A169 PolarHBondContact O-N 3.37Å; E167-A169 VanDerWaalsContact C-N 3.25Å; E167-A169 PolarHBondContact O-N 3.16Å; A169-T171 HydrophobicContact CB-CG2 3.94Å; A169-T171 PolarHBondContact O-N 3.37Å; A169-A1033 HydrophobicContact CB-CB 3.72Å |
| 170 | G | 75.1 | Confident | 77.8 | Confident | 32 Ų | 32 | 46.5 Ų | 46.5 | 33% | 0.33 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 8.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E166 E167 A168 R172 | E166-G170 PolarHBondContact O-N 3.02Å; E167-G170 WeakPolarHBondContact O-CA 3.44Å; E167-G170 PolarHBondContact O-N 3.1Å; A168-G170 PolarHBondContact O-N 3.4Å; G170-R172 VanDerWaalsContact C-N 3.34Å |
| 171 | T | 76.8 | Confident | 77.6 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 7% | 0.067 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20.9 | -176.5 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | E166 A169 M173 Y174 E175 K1026 A1029 | E166-T171 VanDerWaalsContact CA-OG1 3.3Å; E166-T171 WeakPolarHBondContact CA-OG1 3.43Å; E166-T171 PolarHBondContact O-N 3.42Å; E166-T171 PolarHBondContact O-OG1 2.89Å; A169-T171 HydrophobicContact CB-CG2 3.94Å; A169-T171 PolarHBondContact O-N 3.37Å; T171-M173 VanDerWaalsContact C-N 3.32Å; T171-M173 PolarHBondContact O-N 3.2Å; T171-Y174 WeakPolarHBondContact O-CB 3.47Å; T171-Y174 PolarHBondContact O-N 3.24Å; T171-E175 PolarHBondContact O-N 3.44Å; T171-K1026 HydrophobicContact CG2-CG 3.75Å; T171-A1029 HydrophobicContact CG2-CB 4.25Å |
| 172 | R | 70.5 | Confident | 77.5 | Confident | 109 Ų | 109 | 47.9 Ų | 47.9 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -33.4 | 178.8 | -169.5 | 168.8 | -176.2 | 157 | 5.4 | 114.3 | E166 E167 G170 Y174 E175 C176 | E166-R172 PolarHBondContact O-N 3.39Å; E167-R172 HydrophobicContact CB-CB 4.5Å; E167-R172 IonicContact OE2-NH1 2.71Å; G170-R172 VanDerWaalsContact C-N 3.34Å; R172-Y174 VanDerWaalsContact C-N 3.26Å; R172-Y174 PolarHBondContact O-N 3.46Å; R172-E175 PolarHBondContact O-N 3.16Å; R172-C176 PolarHBondContact O-N 3.16Å; R172-C176 VanDerWaalsContact O-N 3.15Å |
| 173 | M | 68.1 | Low | 77.4 | Confident | 98 Ų | 98 | 53.3 Ų | 53.3 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -35.3 | 174.8 | -73.8 | -165.3 | -177.7 | 0 | 0 | 111.9 | T171 K177 | T171-M173 VanDerWaalsContact C-N 3.32Å; T171-M173 PolarHBondContact O-N 3.2Å; M173-K177 WeakPolarHBondContact O-CG 3.41Å; M173-K177 PolarHBondContact O-N 3.17Å; M173-K177 VanDerWaalsContact O-N 3.11Å |
| 174 | Y | 78.9 | Confident | 77.2 | Confident | 38 Ų | 38 | 56 Ų | 56 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -44.1 | 175.2 | 164 | -101 | 0 | 0 | 0 | 110.9 | T171 R172 C176 K177 K178 I1019 L1022 D1023 K1026 | T171-Y174 WeakPolarHBondContact O-CB 3.47Å; T171-Y174 PolarHBondContact O-N 3.24Å; R172-Y174 VanDerWaalsContact C-N 3.26Å; R172-Y174 PolarHBondContact O-N 3.46Å; Y174-C176 VanDerWaalsContact C-N 3.35Å; Y174-C176 PolarHBondContact O-N 2.96Å; Y174-K177 CarbonylContact O-C 3.57Å; Y174-K177 PolarHBondContact O-N 3.21Å; Y174-K178 HydrophobicContact CE1-CD 4.23Å; Y174-K178 WeakPolarHBondContact O-CB 3.37Å; Y174-K178 PolarHBondContact O-N 3.3Å; Y174-I1019 PolarHBondContact OH-O 3.21Å; Y174-L1022 HydrophobicContact CD2-CB 4.02Å; Y174-L1022 HydrophobicContact CD2-CD1 3.98Å; Y174-L1022 HydrophobicContact CE1-CB 4.44Å; Y174-L1022 HydrophobicContact CE2-CB 3.26Å; Y174-L1022 HydrophobicContact CE2-CD1 3.52Å; Y174-L1022 HydrophobicContact CE2-CG 4Å; Y174-L1022 VanDerWaalsContact CZ-CB 3.49Å; Y174-L1022 WeakPolarHBondContact OH-CB 3.43Å; Y174-D1023 WeakPolarHBondContact CE1-OD1 3.25Å; Y174-D1023 VanDerWaalsContact CZ-OD1 3.32Å; Y174-D1023 PolarHBondContact OH-N 3.25Å; Y174-D1023 PolarHBondContact OH-OD1 2.94Å; Y174-K1026 HydrophobicContact CD1-CB 4.38Å; Y174-K1026 HydrophobicContact CD1-CD 3.84Å; Y174-K1026 HydrophobicContact CD1-CG 4.23Å; Y174-K1026 HydrophobicContact CE1-CB 4.38Å; Y174-K1026 HydrophobicContact CE1-CD 4.04Å |
| 175 | E | 73.6 | Confident | 77.4 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60 | -43 | 178.4 | -151.5 | 66.9 | -143.3 | 0 | 0 | 112 | T171 R172 K177 K178 I179 K1026 | T171-E175 PolarHBondContact O-N 3.44Å; R172-E175 PolarHBondContact O-N 3.16Å; E175-K177 PolarHBondContact O-N 3.43Å; E175-K178 WeakPolarHBondContact O-CB 3.38Å; E175-K178 PolarHBondContact O-N 3.12Å; E175-K178 IonicContact OE1-NZ 2.61Å; E175-I179 WeakPolarHBondContact O-CG1 3.37Å; E175-I179 PolarHBondContact O-N 3.12Å; E175-K1026 IonicContact OE2-NZ 3.32Å; E175-K1026 PolarHBondContact OE2-NZ 3.46Å |
| 176 | C | 70.3 | Confident | 77.4 | Confident | 83 Ų | 83 | 61.9 Ų | 61.9 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 173.6 | -70.3 | 0 | 0 | 0 | 0 | 112.8 | R172 Y174 S180 | R172-C176 PolarHBondContact O-N 3.16Å; R172-C176 VanDerWaalsContact O-N 3.15Å; Y174-C176 VanDerWaalsContact C-N 3.35Å; Y174-C176 PolarHBondContact O-N 2.96Å; C176-S180 PolarHBondContact O-N 2.8Å |
| 177 | K | 76 | Confident | 77.3 | Confident | 150 Ų | 150 | 67.7 Ų | 67.7 | 65% | 0.652 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -71.4 | -31.2 | 176.6 | -75.5 | -176.3 | 179.1 | -178.4 | 0 | 112.6 | M173 Y174 E175 S180 A181 | M173-K177 WeakPolarHBondContact O-CG 3.41Å; M173-K177 PolarHBondContact O-N 3.17Å; M173-K177 VanDerWaalsContact O-N 3.11Å; Y174-K177 CarbonylContact O-C 3.57Å; Y174-K177 PolarHBondContact O-N 3.21Å; E175-K177 PolarHBondContact O-N 3.43Å; K177-S180 PolarHBondContact O-N 2.82Å; K177-S180 PolarHBondContact O-OG 3.07Å; K177-A181 VanDerWaalsContact O-CB 3.32Å; K177-A181 WeakPolarHBondContact O-CB 3.44Å; K177-A181 PolarHBondContact O-N 3.49Å |
| 178 | K | 82.2 | Confident | 77.6 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 14% | 0.143 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 174.4 | 179.5 | -179.2 | 178.1 | 174.2 | 0 | 110.7 | Y174 E175 S180 A181 Q182 I1019 D1023 | Y174-K178 HydrophobicContact CE1-CD 4.23Å; Y174-K178 WeakPolarHBondContact O-CB 3.37Å; Y174-K178 PolarHBondContact O-N 3.3Å; E175-K178 WeakPolarHBondContact O-CB 3.38Å; E175-K178 PolarHBondContact O-N 3.12Å; E175-K178 IonicContact OE1-NZ 2.61Å; K178-S180 VanDerWaalsContact C-N 3.34Å; K178-S180 PolarHBondContact O-N 3.45Å; K178-A181 PolarHBondContact O-N 3.43Å; K178-Q182 PolarHBondContact O-N 3.02Å; K178-I1019 HydrophobicContact CD-CG2 4.33Å; K178-I1019 HydrophobicContact CG-CG2 4.36Å; K178-D1023 IonicContact NZ-OD1 3.29Å; K178-D1023 PolarHBondContact NZ-OD1 3.48Å; K178-D1023 IonicContact NZ-OD2 2.69Å; K178-D1023 PolarHBondContact NZ-OD2 3.38Å |
| 179 | I | 80.1 | Confident | 77.9 | Confident | 85 Ų | 85 | 74.2 Ų | 74.2 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.4 | -66.1 | 166 | 0 | 0 | 0 | 111 | E175 Q182 K183 | E175-I179 WeakPolarHBondContact O-CG1 3.37Å; E175-I179 PolarHBondContact O-N 3.12Å; I179-Q182 PolarHBondContact O-N 3.29Å; I179-K183 WeakPolarHBondContact O-CG 3.44Å; I179-K183 PolarHBondContact O-N 3.49Å; I179-K183 VanDerWaalsContact O-N 3.1Å |
| 180 | S | 73.5 | Confident | 78 | Confident | 64 Ų | 64 | 76 Ų | 76 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 177.1 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | C176 K177 K178 K183 T184 | C176-S180 PolarHBondContact O-N 2.8Å; K177-S180 PolarHBondContact O-N 2.82Å; K177-S180 PolarHBondContact O-OG 3.07Å; K178-S180 VanDerWaalsContact C-N 3.34Å; K178-S180 PolarHBondContact O-N 3.45Å; S180-K183 PolarHBondContact O-N 3.49Å; S180-T184 PolarHBondContact O-N 3.29Å; S180-T184 PolarHBondContact O-OG1 3.24Å |
| 181 | A | 80.3 | Confident | 78.1 | Confident | 31 Ų | 31 | 81 Ų | 81 | 26% | 0.256 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K177 K178 T184 I185 | K177-A181 VanDerWaalsContact O-CB 3.32Å; K177-A181 WeakPolarHBondContact O-CB 3.44Å; K177-A181 PolarHBondContact O-N 3.49Å; K178-A181 PolarHBondContact O-N 3.43Å; A181-T184 WeakPolarHBondContact O-CB 3.45Å; A181-T184 PolarHBondContact O-N 2.96Å; A181-T184 VanDerWaalsContact O-N 3.13Å; A181-I185 WeakPolarHBondContact O-CG1 3.43Å; A181-I185 PolarHBondContact O-N 3.22Å |
| 182 | Q | 83.6 | Confident | 78.5 | Confident | 91 Ų | 91 | 82.3 Ų | 82.3 | 43% | 0.425 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 173.9 | -100.6 | 165.4 | -32.7 | 0 | 0 | 112.2 | K178 I179 T184 I185 E186 | K178-Q182 PolarHBondContact O-N 3.02Å; I179-Q182 PolarHBondContact O-N 3.29Å; Q182-T184 VanDerWaalsContact C-N 3.25Å; Q182-T184 PolarHBondContact O-N 3.13Å; Q182-I185 WeakPolarHBondContact O-CB 3.41Å; Q182-I185 PolarHBondContact O-N 3.37Å; Q182-E186 PolarHBondContact O-N 3.1Å |
| 183 | K | 82.2 | Confident | 79.1 | Confident | 124 Ų | 124 | 84.4 Ų | 84.4 | 54% | 0.539 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.7 | -34.4 | 173.8 | -71 | -179.1 | -179.7 | -176.2 | 0 | 112.7 | I179 S180 K187 | I179-K183 WeakPolarHBondContact O-CG 3.44Å; I179-K183 PolarHBondContact O-N 3.49Å; I179-K183 VanDerWaalsContact O-N 3.1Å; S180-K183 PolarHBondContact O-N 3.49Å; K183-K187 WeakPolarHBondContact O-CG 3.47Å; K183-K187 PolarHBondContact O-N 3.43Å |
| 184 | T | 79.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 85.5 Ų | 85.5 | 48% | 0.479 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.2 | -37.9 | 173.7 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | S180 A181 Q182 K187 K188 | S180-T184 PolarHBondContact O-N 3.29Å; S180-T184 PolarHBondContact O-OG1 3.24Å; A181-T184 WeakPolarHBondContact O-CB 3.45Å; A181-T184 PolarHBondContact O-N 2.96Å; A181-T184 VanDerWaalsContact O-N 3.13Å; Q182-T184 VanDerWaalsContact C-N 3.25Å; Q182-T184 PolarHBondContact O-N 3.13Å; T184-K187 PolarHBondContact O-N 2.87Å; T184-K188 WeakPolarHBondContact O-CG 3.5Å; T184-K188 PolarHBondContact O-N 2.81Å |
| 185 | I | 83.7 | Confident | 79.9 | Confident | 16 Ų | 16 | 85.5 Ų | 85.5 | 8% | 0.082 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 174.8 | -67.4 | 166.9 | 0 | 0 | 0 | 110.4 | A181 Q182 K187 K188 E189 K1012 I1015 L1016 I1019 | A181-I185 WeakPolarHBondContact O-CG1 3.43Å; A181-I185 PolarHBondContact O-N 3.22Å; Q182-I185 WeakPolarHBondContact O-CB 3.41Å; Q182-I185 PolarHBondContact O-N 3.37Å; I185-K187 VanDerWaalsContact C-N 3.31Å; I185-K187 PolarHBondContact O-N 2.98Å; I185-K188 CarbonylContact O-C 3.28Å; I185-K188 WeakPolarHBondContact O-CA 3.48Å; I185-K188 WeakPolarHBondContact O-CB 3.36Å; I185-K188 PolarHBondContact O-N 3.29Å; I185-E189 HydrophobicContact CG2-CG 4.31Å; I185-E189 WeakPolarHBondContact O-CG 3.41Å; I185-E189 PolarHBondContact O-N 3.14Å; I185-K1012 HydrophobicContact CG2-CG 4.43Å; I185-I1015 HydrophobicContact CD1-CG2 3.79Å; I185-I1015 HydrophobicContact CG1-CG2 4.34Å; I185-L1016 HydrophobicContact CD1-CD2 4.34Å; I185-I1019 HydrophobicContact CD1-CD1 4.37Å |
| 186 | E | 82.3 | Confident | 80.4 | Confident | 121 Ų | 121 | 85.6 Ų | 85.6 | 57% | 0.565 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -55.8 | -44.5 | 177.8 | -71.5 | 169.1 | -175.2 | 0 | 0 | 111.9 | Q182 K188 E189 A190 | Q182-E186 PolarHBondContact O-N 3.1Å; E186-K188 VanDerWaalsContact C-N 3.33Å; E186-K188 PolarHBondContact O-N 3.19Å; E186-E189 PolarHBondContact O-N 2.8Å; E186-A190 PolarHBondContact O-N 3.21Å; E186-A190 VanDerWaalsContact O-N 3.14Å |
| 187 | K | 79.4 | Confident | 81.1 | Confident | 160 Ų | 160 | 84.7 Ų | 84.7 | 70% | 0.696 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63 | -36.7 | 175 | -72.3 | -179.8 | -179 | -174.8 | 0 | 112.8 | K183 T184 I185 K191 | K183-K187 WeakPolarHBondContact O-CG 3.47Å; K183-K187 PolarHBondContact O-N 3.43Å; T184-K187 PolarHBondContact O-N 2.87Å; I185-K187 VanDerWaalsContact C-N 3.31Å; I185-K187 PolarHBondContact O-N 2.98Å; K187-K191 PolarHBondContact O-N 2.91Å |
| 188 | K | 81.1 | Confident | 81.5 | Confident | 80 Ų | 80 | 80.4 Ų | 80.4 | 35% | 0.348 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72 | -34.5 | 176.2 | -74.7 | -172.5 | 176.1 | -170.2 | 0 | 111.8 | T184 I185 E186 K191 L192 | T184-K188 WeakPolarHBondContact O-CG 3.5Å; T184-K188 PolarHBondContact O-N 2.81Å; I185-K188 CarbonylContact O-C 3.28Å; I185-K188 WeakPolarHBondContact O-CA 3.48Å; I185-K188 WeakPolarHBondContact O-CB 3.36Å; I185-K188 PolarHBondContact O-N 3.29Å; E186-K188 VanDerWaalsContact C-N 3.33Å; E186-K188 PolarHBondContact O-N 3.19Å; K188-K191 PolarHBondContact O-N 2.77Å; K188-L192 PolarHBondContact O-N 3.36Å |
| 189 | E | 82.5 | Confident | 81.5 | Confident | 77 Ų | 77 | 79 Ų | 79 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 175.6 | -74.9 | -176.4 | 163.1 | 0 | 0 | 112.4 | I185 E186 K191 L192 K193 K1012 | I185-E189 HydrophobicContact CG2-CG 4.31Å; I185-E189 WeakPolarHBondContact O-CG 3.41Å; I185-E189 PolarHBondContact O-N 3.14Å; E186-E189 PolarHBondContact O-N 2.8Å; E189-K191 VanDerWaalsContact C-N 3.33Å; E189-K191 PolarHBondContact O-N 3.09Å; E189-L192 PolarHBondContact O-N 3.09Å; E189-K193 PolarHBondContact O-N 3.37Å; E189-K1012 WeakPolarHBondContact OE1-CE 3.29Å; E189-K1012 IonicContact OE1-NZ 3.86Å; E189-K1012 PolarHBondContact OE1-NZ 3.43Å |
| 190 | A | 79.4 | Confident | 81.5 | Confident | 62 Ų | 62 | 79.3 Ų | 79.3 | 51% | 0.512 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | E186 L192 K193 E194 | E186-A190 PolarHBondContact O-N 3.21Å; E186-A190 VanDerWaalsContact O-N 3.14Å; A190-L192 VanDerWaalsContact C-N 3.34Å; A190-L192 PolarHBondContact O-N 3.37Å; A190-K193 PolarHBondContact O-N 3.04Å; A190-E194 PolarHBondContact O-N 3.47Å; A190-E194 VanDerWaalsContact O-N 3.14Å |
| 191 | K | 77.6 | Confident | 81.9 | Confident | 137 Ų | 137 | 83 Ų | 83 | 60% | 0.596 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.9 | -33.7 | 175.1 | -70 | -171.3 | 175.6 | -169.2 | 0 | 113.3 | K187 K188 E189 E194 I195 | K187-K191 PolarHBondContact O-N 2.91Å; K188-K191 PolarHBondContact O-N 2.77Å; E189-K191 VanDerWaalsContact C-N 3.33Å; E189-K191 PolarHBondContact O-N 3.09Å; K191-E194 PolarHBondContact O-N 3.19Å; K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 3.09Å |
| 192 | L | 84.1 | Confident | 81.7 | Confident | 38 Ų | 38 | 87.4 Ų | 87.4 | 20% | 0.199 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67 | -40.3 | 177.4 | -161.3 | 157.8 | 0 | 0 | 0 | 110.7 | K188 E189 A190 I195 Q196 V1008 E1009 | K188-L192 PolarHBondContact O-N 3.36Å; E189-L192 PolarHBondContact O-N 3.09Å; A190-L192 VanDerWaalsContact C-N 3.34Å; A190-L192 PolarHBondContact O-N 3.37Å; L192-I195 PolarHBondContact O-N 3.18Å; L192-Q196 WeakPolarHBondContact O-CB 3.15Å; L192-Q196 PolarHBondContact O-N 3Å; L192-V1008 HydrophobicContact CD1-CG1 4.13Å; L192-E1009 HydrophobicContact CD1-CG 3.87Å |
| 193 | K | 82.7 | Confident | 81.5 | Confident | 152 Ų | 152 | 84.2 Ų | 84.2 | 66% | 0.661 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 172.4 | -72.3 | -178.8 | 178.4 | -179.5 | 0 | 111.9 | E189 A190 I195 Q196 T197 | E189-K193 PolarHBondContact O-N 3.37Å; A190-K193 PolarHBondContact O-N 3.04Å; K193-I195 PolarHBondContact O-N 3.31Å; K193-Q196 WeakPolarHBondContact O-CB 3.18Å; K193-Q196 PolarHBondContact O-N 2.98Å; K193-T197 PolarHBondContact O-N 3.47Å; K193-T197 PolarHBondContact O-OG1 3.08Å; K193-T197 VanDerWaalsContact O-OG1 3.09Å |
| 194 | E | 83.1 | Confident | 81.4 | Confident | 121 Ų | 121 | 80.1 Ų | 80.1 | 57% | 0.565 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.8 | -46 | 175.9 | -172.1 | -176.8 | 179.8 | 0 | 0 | 112.2 | A190 K191 Q196 T197 I198 | A190-E194 PolarHBondContact O-N 3.47Å; A190-E194 VanDerWaalsContact O-N 3.14Å; K191-E194 PolarHBondContact O-N 3.19Å; E194-Q196 VanDerWaalsContact C-N 3.29Å; E194-Q196 PolarHBondContact O-N 3.37Å; E194-T197 PolarHBondContact O-N 3.03Å; E194-I198 HydrophobicContact CG-CD1 4.34Å; E194-I198 WeakPolarHBondContact O-CG1 3.38Å; E194-I198 PolarHBondContact O-N 3.19Å |
| 195 | I | 82.1 | Confident | 81.5 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 20% | 0.195 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | 175.3 | -68.3 | 166.8 | 0 | 0 | 0 | 111.3 | K191 L192 K193 I198 L199 L1001 | K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 3.09Å; L192-I195 PolarHBondContact O-N 3.18Å; K193-I195 PolarHBondContact O-N 3.31Å; I195-I198 PolarHBondContact O-N 2.85Å; I195-L199 HydrophobicContact CG2-CD1 3.98Å; I195-L199 WeakPolarHBondContact O-CB 3.3Å; I195-L199 WeakPolarHBondContact O-CG 3.44Å; I195-L199 PolarHBondContact O-N 2.8Å; I195-L1001 HydrophobicContact CG2-CD2 4.37Å |
| 196 | Q | 82.9 | Confident | 81.3 | Confident | 56 Ų | 56 | 81.9 Ų | 81.9 | 26% | 0.262 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 178.2 | -171.5 | 63.2 | 36.5 | 0 | 0 | 111.3 | L192 K193 E194 I198 L199 D200 | L192-Q196 WeakPolarHBondContact O-CB 3.15Å; L192-Q196 PolarHBondContact O-N 3Å; K193-Q196 WeakPolarHBondContact O-CB 3.18Å; K193-Q196 PolarHBondContact O-N 2.98Å; E194-Q196 VanDerWaalsContact C-N 3.29Å; E194-Q196 PolarHBondContact O-N 3.37Å; Q196-I198 PolarHBondContact O-N 3.5Å; Q196-L199 PolarHBondContact O-N 3.42Å; Q196-D200 PolarHBondContact NE2-OD1 3.09Å; Q196-D200 PolarHBondContact NE2-OD2 3.26Å; Q196-D200 WeakPolarHBondContact O-CB 3.43Å; Q196-D200 VanDerWaalsContact O-CG 3.32Å; Q196-D200 PolarHBondContact O-N 3.39Å |
| 197 | T | 84.7 | Confident | 81.2 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 176 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | K193 E194 L199 D200 E201 | K193-T197 PolarHBondContact O-N 3.47Å; K193-T197 PolarHBondContact O-OG1 3.08Å; K193-T197 VanDerWaalsContact O-OG1 3.09Å; E194-T197 PolarHBondContact O-N 3.03Å; T197-L199 VanDerWaalsContact C-N 3.34Å; T197-L199 PolarHBondContact O-N 3.25Å; T197-D200 PolarHBondContact O-N 3.49Å; T197-E201 VanDerWaalsContact CG2-CD 3.42Å; T197-E201 HydrophobicContact CG2-CG 4.16Å; T197-E201 WeakPolarHBondContact CG2-OE2 3.42Å; T197-E201 VanDerWaalsContact O-CB 3.31Å; T197-E201 WeakPolarHBondContact O-CB 3.42Å; T197-E201 WeakPolarHBondContact O-CG 3.36Å; T197-E201 PolarHBondContact O-N 2.9Å |
| 198 | I | 84.1 | Confident | 81.2 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 30% | 0.303 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 178 | -65.1 | 165.6 | 0 | 0 | 0 | 111.6 | E194 I195 Q196 E202 I203 | E194-I198 HydrophobicContact CG-CD1 4.34Å; E194-I198 WeakPolarHBondContact O-CG1 3.38Å; E194-I198 PolarHBondContact O-N 3.19Å; I195-I198 PolarHBondContact O-N 2.85Å; Q196-I198 PolarHBondContact O-N 3.5Å; I198-E202 WeakPolarHBondContact O-CB 3.13Å; I198-E202 PolarHBondContact O-N 3.31Å; I198-E202 VanDerWaalsContact O-N 3.11Å; I198-I203 HydrophobicContact CG2-CD1 4.21Å; I198-I203 PolarHBondContact O-N 3.06Å |
| 199 | L | 82.4 | Confident | 81.1 | Confident | 5 Ų | 5 | 77.9 Ų | 77.9 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | I | π-helix | trans | -63.8 | -43.9 | 177.8 | -81.3 | 167.5 | 0 | 0 | 0 | 112.2 | I195 Q196 T197 I203 T204 Y998 L1001 M1002 | I195-L199 HydrophobicContact CG2-CD1 3.98Å; I195-L199 WeakPolarHBondContact O-CB 3.3Å; I195-L199 WeakPolarHBondContact O-CG 3.44Å; I195-L199 PolarHBondContact O-N 2.8Å; Q196-L199 PolarHBondContact O-N 3.42Å; T197-L199 VanDerWaalsContact C-N 3.34Å; T197-L199 PolarHBondContact O-N 3.25Å; L199-I203 HydrophobicContact CD2-CD1 4.42Å; L199-T204 WeakPolarHBondContact O-CB 3.38Å; L199-T204 PolarHBondContact O-N 3.4Å; L199-T204 PolarHBondContact O-OG1 3.39Å; L199-Y998 HydrophobicContact CD2-CD2 3.75Å; L199-Y998 HydrophobicContact CD2-CE2 3.96Å; L199-L1001 HydrophobicContact CD2-CB 3.99Å; L199-L1001 HydrophobicContact CD2-CD1 4.32Å; L199-L1001 HydrophobicContact CG-CB 4.44Å; L199-M1002 HydrophobicContact CD1-SD 4.37Å |
| 200 | D | 80.8 | Confident | 81 | Confident | 91 Ų | 91 | 75 Ų | 75 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | I | π-helix | trans | -80.2 | -39 | -173.5 | -65.7 | -21.3 | 0 | 0 | 0 | 112 | Q196 T197 | Q196-D200 PolarHBondContact NE2-OD1 3.09Å; Q196-D200 PolarHBondContact NE2-OD2 3.26Å; Q196-D200 WeakPolarHBondContact O-CB 3.43Å; Q196-D200 VanDerWaalsContact O-CG 3.32Å; Q196-D200 PolarHBondContact O-N 3.39Å; T197-D200 PolarHBondContact O-N 3.49Å |
| 201 | E | 80.9 | Confident | 80.8 | Confident | 142 Ų | 142 | 76.4 Ų | 76.4 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | I | π-helix | trans | -90.2 | -31.5 | -174 | -63.1 | -177.9 | 178.4 | 0 | 0 | 113.6 | T197 P205 | T197-E201 VanDerWaalsContact CG2-CD 3.42Å; T197-E201 HydrophobicContact CG2-CG 4.16Å; T197-E201 WeakPolarHBondContact CG2-OE2 3.42Å; T197-E201 VanDerWaalsContact O-CB 3.31Å; T197-E201 WeakPolarHBondContact O-CB 3.42Å; T197-E201 WeakPolarHBondContact O-CG 3.36Å; T197-E201 PolarHBondContact O-N 2.9Å; E201-P205 VanDerWaalsContact O-CG 3.32Å; E201-P205 WeakPolarHBondContact O-CG 3.5Å |
| 202 | E | 76.5 | Confident | 80.7 | Confident | 123 Ų | 123 | 76.2 Ų | 76.2 | 58% | 0.575 | 38% | 0.377 | S | S | * | . | I | π-helix | trans | -111.2 | -50.5 | -172.5 | -58.3 | -173.7 | 170.1 | 0 | 0 | 113.7 | I198 T206 | I198-E202 WeakPolarHBondContact O-CB 3.13Å; I198-E202 PolarHBondContact O-N 3.31Å; I198-E202 VanDerWaalsContact O-N 3.11Å; E202-T206 VanDerWaalsContact O-CG2 3.29Å; E202-T206 WeakPolarHBondContact O-CG2 3.47Å; E202-T206 PolarHBondContact O-OG1 3.22Å |
| 203 | I | 79.8 | Confident | 80.3 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.118 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -87 | -43.6 | -166.4 | -60.2 | 179.6 | 0 | 0 | 0 | 113 | I198 L199 T206 M207 Y998 L1001 | I198-I203 HydrophobicContact CG2-CD1 4.21Å; I198-I203 PolarHBondContact O-N 3.06Å; L199-I203 HydrophobicContact CD2-CD1 4.42Å; I203-T206 WeakPolarHBondContact CA-OG1 3.34Å; I203-T206 PolarHBondContact O-N 2.87Å; I203-T206 PolarHBondContact O-OG1 3.22Å; I203-M207 WeakPolarHBondContact O-CB 3.34Å; I203-M207 PolarHBondContact O-N 3.34Å; I203-Y998 HydrophobicContact CG2-CD2 3.99Å; I203-Y998 HydrophobicContact CG2-CG 4.49Å; I203-L1001 HydrophobicContact CD1-CD1 3.16Å |
| 204 | T | 79.8 | Confident | 79.9 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 24% | 0.239 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 178.8 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | L199 T206 M207 Q208 | L199-T204 WeakPolarHBondContact O-CB 3.38Å; L199-T204 PolarHBondContact O-N 3.4Å; L199-T204 PolarHBondContact O-OG1 3.39Å; T204-T206 PolarHBondContact O-N 3Å; T204-M207 PolarHBondContact O-N 3.04Å; T204-Q208 PolarHBondContact O-N 3.11Å |
| 205 | P | 82.5 | Confident | 79.3 | Confident | 58 Ų | 58 | 72.1 Ų | 72.1 | 38% | 0.377 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.1 | -32.8 | 178.9 | 23.5 | -32.2 | 0 | 0 | 0 | 113.1 | E201 K209 | E201-P205 VanDerWaalsContact O-CG 3.32Å; E201-P205 WeakPolarHBondContact O-CG 3.5Å; P205-K209 PolarHBondContact O-N 3.21Å |
| 206 | T | 79.7 | Confident | 78.9 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 45% | 0.448 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 176.3 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | E202 I203 T204 K209 L210 | E202-T206 VanDerWaalsContact O-CG2 3.29Å; E202-T206 WeakPolarHBondContact O-CG2 3.47Å; E202-T206 PolarHBondContact O-OG1 3.22Å; I203-T206 WeakPolarHBondContact CA-OG1 3.34Å; I203-T206 PolarHBondContact O-N 2.87Å; I203-T206 PolarHBondContact O-OG1 3.22Å; T204-T206 PolarHBondContact O-N 3Å; T206-K209 PolarHBondContact O-N 3.43Å; T206-L210 WeakPolarHBondContact O-CG 3.4Å; T206-L210 PolarHBondContact O-N 3.17Å; T206-L210 VanDerWaalsContact O-N 3.15Å |
| 207 | M | 79.3 | Confident | 78.3 | Confident | 35 Ų | 35 | 73.9 Ų | 73.9 | 17% | 0.172 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.4 | -170.4 | -171.1 | 74.8 | 0 | 0 | 112.3 | I203 T204 K209 L210 Q211 L991 E995 | I203-M207 WeakPolarHBondContact O-CB 3.34Å; I203-M207 PolarHBondContact O-N 3.34Å; T204-M207 PolarHBondContact O-N 3.04Å; M207-K209 VanDerWaalsContact C-N 3.34Å; M207-K209 PolarHBondContact O-N 3.1Å; M207-L210 PolarHBondContact O-N 3.4Å; M207-Q211 PolarHBondContact O-N 3.02Å; M207-Q211 VanDerWaalsContact O-N 3.13Å; M207-L991 HydrophobicContact CG-CD1 4Å; M207-E995 HydrophobicContact CG-CG 4.4Å; M207-E995 HydrophobicContact SD-CG 4.14Å |
| 208 | Q | 78.5 | Confident | 77.5 | Confident | 111 Ų | 111 | 75.4 Ų | 75.4 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 177.7 | -73.5 | 177.3 | -12.8 | 0 | 0 | 111.6 | T204 L210 Q211 E212 | T204-Q208 PolarHBondContact O-N 3.11Å; Q208-L210 VanDerWaalsContact C-N 3.34Å; Q208-L210 PolarHBondContact O-N 3.02Å; Q208-Q211 PolarHBondContact O-N 3.32Å; Q208-E212 PolarHBondContact O-N 2.96Å |
| 209 | K | 80.4 | Confident | 76.8 | Confident | 131 Ų | 131 | 78.5 Ų | 78.5 | 57% | 0.57 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.4 | -41.6 | 176.8 | -170 | 178.1 | 178.3 | -179 | 0 | 112.7 | P205 T206 M207 Q211 E212 E213 | P205-K209 PolarHBondContact O-N 3.21Å; T206-K209 PolarHBondContact O-N 3.43Å; M207-K209 VanDerWaalsContact C-N 3.34Å; M207-K209 PolarHBondContact O-N 3.1Å; K209-Q211 VanDerWaalsContact C-N 3.34Å; K209-Q211 PolarHBondContact O-N 3.25Å; K209-E212 PolarHBondContact O-N 2.93Å; K209-E213 WeakPolarHBondContact O-CG 3.48Å; K209-E213 PolarHBondContact O-N 3.4Å |
| 210 | L | 79.6 | Confident | 76.1 | Confident | 17 Ų | 17 | 79.2 Ų | 79.2 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.1 | -28.4 | 179.1 | -71.8 | 169.3 | 0 | 0 | 0 | 113.3 | T206 M207 Q208 R214 M990 L991 A994 | T206-L210 WeakPolarHBondContact O-CG 3.4Å; T206-L210 PolarHBondContact O-N 3.17Å; T206-L210 VanDerWaalsContact O-N 3.15Å; M207-L210 PolarHBondContact O-N 3.4Å; Q208-L210 VanDerWaalsContact C-N 3.34Å; Q208-L210 PolarHBondContact O-N 3.02Å; L210-R214 PolarHBondContact O-N 2.94Å; L210-M990 HydrophobicContact CD1-CB 4.26Å; L210-M990 HydrophobicContact CD2-CB 4.08Å; L210-L991 HydrophobicContact CB-CB 4.2Å; L210-L991 HydrophobicContact CB-CD1 3.8Å; L210-A994 HydrophobicContact CD1-CB 4.1Å |
| 211 | Q | 75.1 | Confident | 75.3 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 173.8 | -72.7 | -179.3 | -15 | 0 | 0 | 112 | M207 Q208 K209 E213 R214 S215 L991 | M207-Q211 PolarHBondContact O-N 3.02Å; M207-Q211 VanDerWaalsContact O-N 3.13Å; Q208-Q211 PolarHBondContact O-N 3.32Å; K209-Q211 VanDerWaalsContact C-N 3.34Å; K209-Q211 PolarHBondContact O-N 3.25Å; Q211-E213 VanDerWaalsContact C-N 3.35Å; Q211-R214 PolarHBondContact O-N 2.92Å; Q211-S215 PolarHBondContact O-N 3.08Å; Q211-S215 PolarHBondContact O-OG 3.42Å; Q211-L991 HydrophobicContact CG-CD1 3.67Å; Q211-L991 HydrophobicContact CG-CD2 4Å |
| 212 | E | 76.5 | Confident | 74.6 | Confident | 133 Ų | 133 | 81.9 Ų | 81.9 | 62% | 0.621 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.5 | -36.8 | 175.8 | -66.1 | 176.2 | 173.8 | 0 | 0 | 112.2 | Q208 K209 R214 S215 S216 | Q208-E212 PolarHBondContact O-N 2.96Å; K209-E212 PolarHBondContact O-N 2.93Å; E212-R214 VanDerWaalsContact C-N 3.34Å; E212-R214 PolarHBondContact O-N 2.99Å; E212-S215 PolarHBondContact O-OG 3.44Å; E212-S216 PolarHBondContact O-N 2.99Å; E212-S216 PolarHBondContact O-OG 3.43Å |
| 213 | E | 74.6 | Confident | 74.1 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 175 | -72.5 | 179.5 | -165.8 | 0 | 0 | 112.1 | K209 Q211 Y217 N984 A987 | K209-E213 WeakPolarHBondContact O-CG 3.48Å; K209-E213 PolarHBondContact O-N 3.4Å; Q211-E213 VanDerWaalsContact C-N 3.35Å; E213-Y217 PolarHBondContact O-N 3.14Å; E213-N984 VanDerWaalsContact OE2-CB 3.3Å; E213-N984 WeakPolarHBondContact OE2-CB 3.38Å; E213-N984 PolarHBondContact OE2-ND2 3.46Å; E213-A987 HydrophobicContact CB-CB 3.89Å |
| 214 | R | 74.5 | Confident | 73.2 | Confident | 110 Ų | 110 | 80.8 Ų | 80.8 | 42% | 0.415 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 177.9 | 176.7 | -173.9 | 166.3 | -174.2 | -2.9 | 112.7 | L210 Q211 E212 S216 Y217 M988 | L210-R214 PolarHBondContact O-N 2.94Å; Q211-R214 PolarHBondContact O-N 2.92Å; E212-R214 VanDerWaalsContact C-N 3.34Å; E212-R214 PolarHBondContact O-N 2.99Å; R214-S216 PolarHBondContact O-N 2.9Å; R214-Y217 PolarHBondContact O-N 3.29Å; R214-M988 HydrophobicContact CG-SD 4.31Å |
| 215 | S | 71.4 | Confident | 72.1 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 178.9 | 39 | 0 | 0 | 0 | 0 | 111.7 | Q211 E212 Y217 L218 | Q211-S215 PolarHBondContact O-N 3.08Å; Q211-S215 PolarHBondContact O-OG 3.42Å; E212-S215 PolarHBondContact O-OG 3.44Å; S215-Y217 VanDerWaalsContact C-N 3.3Å; S215-Y217 PolarHBondContact O-N 3.47Å; S215-L218 PolarHBondContact O-N 2.99Å |
| 216 | S | 72.1 | Confident | 71 | Confident | 39 Ų | 39 | 90.4 Ų | 90.4 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -32.3 | 178.7 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | E212 R214 Y220 | E212-S216 PolarHBondContact O-N 2.99Å; E212-S216 PolarHBondContact O-OG 3.43Å; R214-S216 PolarHBondContact O-N 2.9Å; S216-Y220 PolarHBondContact O-N 2.98Å |
| 217 | Y | 71.4 | Confident | 70.3 | Confident | 92 Ų | 92 | 87.9 Ų | 87.9 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 178.4 | -179.4 | -124.6 | 0 | 0 | 0 | 113.8 | E213 R214 S215 E219 Y220 V983 K985 | E213-Y217 PolarHBondContact O-N 3.14Å; R214-Y217 PolarHBondContact O-N 3.29Å; S215-Y217 VanDerWaalsContact C-N 3.3Å; S215-Y217 PolarHBondContact O-N 3.47Å; Y217-E219 VanDerWaalsContact C-N 3.33Å; Y217-Y220 WeakPolarHBondContact O-CB 3.48Å; Y217-V983 HydrophobicContact CD2-CG1 3.3Å; Y217-V983 HydrophobicContact CE2-CG1 4.32Å; Y217-V983 HydrophobicContact CG-CG1 3.9Å; Y217-K985 HydrophobicContact CD2-CG 4.44Å; Y217-K985 HydrophobicContact CE2-CB 4.45Å; Y217-K985 HydrophobicContact CE2-CG 3.96Å |
| 218 | L | 68.6 | Low | 69.2 | Low | 96 Ų | 96 | 94.2 Ų | 94.2 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72 | -30.1 | -179 | -69.7 | 172.3 | 0 | 0 | 0 | 112.4 | S215 | S215-L218 PolarHBondContact O-N 2.99Å |
| 219 | E | 68.4 | Low | 68.2 | Low | 124 Ų | 124 | 96.7 Ų | 96.7 | 58% | 0.579 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -71.2 | -38.7 | 177.2 | -160.8 | 167.2 | -162 | 0 | 0 | 111.7 | Y217 Q221 K222 | Y217-E219 VanDerWaalsContact C-N 3.33Å; E219-Q221 VanDerWaalsContact C-N 3.3Å; E219-Q221 PolarHBondContact O-N 3.2Å; E219-K222 PolarHBondContact O-N 3.36Å |
| 220 | Y | 67.6 | Low | 67.2 | Low | 21 Ų | 21 | 92 Ų | 92 | 8% | 0.082 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -55.7 | -38.1 | 174.6 | 175.2 | -101.2 | 0 | 0 | 0 | 113.8 | S216 Y217 K222 M224 T976 L979 E980 | S216-Y220 PolarHBondContact O-N 2.98Å; Y217-Y220 WeakPolarHBondContact O-CB 3.48Å; Y220-K222 PolarHBondContact O-N 3.05Å; Y220-M224 HydrophobicContact CE1-CE 4.48Å; Y220-M224 HydrophobicContact CE2-CE 4.26Å; Y220-M224 WeakPolarHBondContact OH-CE 3.38Å; Y220-T976 HydrophobicContact CD2-CG2 3.57Å; Y220-T976 WeakPolarHBondContact CD2-O 3.28Å; Y220-T976 HydrophobicContact CE2-CG2 3.2Å; Y220-T976 WeakPolarHBondContact CE2-O 3.45Å; Y220-L979 HydrophobicContact CD2-CB 3.98Å; Y220-E980 HydrophobicContact CD2-CB 4.31Å; Y220-E980 HydrophobicContact CE2-CB 3.57Å; Y220-E980 HydrophobicContact CE2-CG 3.91Å; Y220-E980 WeakPolarHBondContact OH-CG 3.4Å; Y220-E980 PolarHBondContact OH-OE1 2.97Å; Y220-E980 VanDerWaalsContact OH-OE1 3.07Å; Y220-E980 PolarHBondContact OH-OE2 3.37Å |
| 221 | Q | 63.7 | Low | 66.3 | Low | 119 Ų | 119 | 93.6 Ų | 93.6 | 56% | 0.556 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.6 | -28.8 | -176.1 | -165.8 | -179.2 | 14.6 | 0 | 0 | 113.6 | E219 | E219-Q221 VanDerWaalsContact C-N 3.3Å; E219-Q221 PolarHBondContact O-N 3.2Å |
| 222 | K | 66.3 | Low | 65.6 | Low | 169 Ų | 169 | 99.3 Ų | 99.3 | 74% | 0.735 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -75.1 | -40.3 | 180 | -71.5 | -179.9 | 180 | 175.8 | 0 | 111.9 | E219 Y220 M224 R225 | E219-K222 PolarHBondContact O-N 3.36Å; Y220-K222 PolarHBondContact O-N 3.05Å; K222-M224 VanDerWaalsContact C-N 3.31Å; K222-M224 PolarHBondContact O-N 3.4Å; K222-R225 PolarHBondContact O-N 3.14Å |
| 223 | L | 67.3 | Low | 65 | Low | 32 Ų | 32 | 95.3 Ų | 95.3 | 17% | 0.168 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -64.7 | -32.3 | -177.1 | -64.9 | 167.4 | 0 | 0 | 0 | 113 | R225 E226 L972 T976 L979 | L223-R225 VanDerWaalsContact C-N 3.28Å; L223-R225 PolarHBondContact O-N 2.72Å; L223-E226 PolarHBondContact O-N 3.16Å; L223-L972 HydrophobicContact CD2-CD2 3.6Å; L223-T976 WeakPolarHBondContact CB-OG1 3.43Å; L223-L979 HydrophobicContact CD1-CD1 3.62Å |
| 224 | M | 59 | Low | 64.4 | Low | 91 Ų | 91 | 95.1 Ų | 95.1 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.7 | -29.8 | 178.6 | -85.7 | -71.1 | -169.5 | 0 | 0 | 114.7 | Y220 K222 T976 | Y220-M224 HydrophobicContact CE1-CE 4.48Å; Y220-M224 HydrophobicContact CE2-CE 4.26Å; Y220-M224 WeakPolarHBondContact OH-CE 3.38Å; K222-M224 VanDerWaalsContact C-N 3.31Å; K222-M224 PolarHBondContact O-N 3.4Å; M224-T976 HydrophobicContact CE-CG2 3.82Å; M224-T976 HydrophobicContact CG-CG2 3.91Å; M224-T976 HydrophobicContact SD-CG2 4.08Å |
| 225 | R | 57.3 | Low | 64 | Low | 202 Ų | 202 | 91 Ų | 91 | 76% | 0.762 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -75.4 | -27.1 | -179.7 | -69.5 | -177.3 | -176.2 | 171 | 1.2 | 113.2 | K222 L223 | K222-R225 PolarHBondContact O-N 3.14Å; L223-R225 VanDerWaalsContact C-N 3.28Å; L223-R225 PolarHBondContact O-N 2.72Å |
| 226 | E | 60.6 | Low | 63.5 | Low | 97 Ų | 97 | 87.6 Ų | 87.6 | 45% | 0.453 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -84.4 | -27.5 | -174.5 | -157.7 | 163.7 | 167.1 | 0 | 0 | 112.2 | L223 Q228 L972 | L223-E226 PolarHBondContact O-N 3.16Å; E226-Q228 VanDerWaalsContact C-N 3.29Å; E226-Q228 PolarHBondContact O-N 3.5Å; E226-L972 HydrophobicContact CB-CD1 4.25Å; E226-L972 HydrophobicContact CG-CD1 4.01Å |
| 227 | I | 63.4 | Low | 63.2 | Low | 21 Ų | 21 | 88.9 Ų | 88.9 | 11% | 0.108 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 176.2 | -67.8 | 167.6 | 0 | 0 | 0 | 112 | H229 S231 L969 L972 E973 T976 | I227-H229 VanDerWaalsContact C-N 3.33Å; I227-H229 PolarHBondContact O-N 3.28Å; I227-S231 PolarHBondContact O-N 3.21Å; I227-L969 HydrophobicContact CG2-CD1 4.37Å; I227-L969 WeakPolarHBondContact O-CD1 3.47Å; I227-L972 HydrophobicContact CD1-CB 4.36Å; I227-L972 HydrophobicContact CG1-CB 3.83Å; I227-E973 HydrophobicContact CD1-CB 4.42Å; I227-E973 HydrophobicContact CD1-CG 3.74Å; I227-E973 HydrophobicContact CG1-CG 4.05Å; I227-E973 HydrophobicContact CG2-CG 3.78Å; I227-E973 WeakPolarHBondContact CG2-OE1 3.32Å; I227-T976 HydrophobicContact CD1-CG2 4.26Å |
| 228 | Q | 56.7 | Low | 62.9 | Low | 167 Ų | 167 | 86.2 Ų | 86.2 | 78% | 0.78 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -67.7 | -29.6 | -172.6 | -145.7 | 175.4 | 13.3 | 0 | 0 | 113.7 | E226 | E226-Q228 VanDerWaalsContact C-N 3.29Å; E226-Q228 PolarHBondContact O-N 3.5Å |
| 229 | H | 57.2 | Low | 62.9 | Low | 163 Ų | 163 | 81.8 Ų | 81.8 | 76% | 0.755 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -80.4 | -39 | -178.8 | 178.9 | 62.4 | 0 | 0 | 0 | 113.1 | I227 S231 | I227-H229 VanDerWaalsContact C-N 3.33Å; I227-H229 PolarHBondContact O-N 3.28Å; H229-S231 VanDerWaalsContact C-N 3.28Å; H229-S231 PolarHBondContact O-N 3.31Å |
| 230 | L | 60.4 | Low | 62.8 | Low | 34 Ų | 34 | 78.9 Ų | 78.9 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -75.2 | -16.7 | -177.8 | -71.3 | 168 | 0 | 0 | 0 | 113.1 | R968 L969 L972 | L230-R968 HydrophobicContact CD1-CB 4.41Å; L230-R968 HydrophobicContact CD1-CG 4.21Å; L230-L969 VanDerWaalsContact C-CD1 3.4Å; L230-L969 HydrophobicContact CB-CB 4.04Å; L230-L969 HydrophobicContact CB-CD1 3.47Å; L230-L969 VanDerWaalsContact CB-CD1 3.47Å; L230-L969 HydrophobicContact CB-CG 4.36Å; L230-L969 HydrophobicContact CD1-CB 4.45Å; L230-L972 HydrophobicContact CD1-CD1 3.94Å |
| 231 | S | 59.5 | Low | 62.7 | Low | 49 Ų | 49 | 79.5 Ų | 79.5 | 34% | 0.343 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | -173.7 | -176.9 | 0 | 0 | 0 | 0 | 114 | I227 H229 L233 Y234 V235 L969 | I227-S231 PolarHBondContact O-N 3.21Å; H229-S231 VanDerWaalsContact C-N 3.28Å; H229-S231 PolarHBondContact O-N 3.31Å; S231-L233 PolarHBondContact O-N 3.14Å; S231-Y234 PolarHBondContact O-N 2.98Å; S231-V235 VanDerWaalsContact O-CG2 3.24Å; S231-V235 WeakPolarHBondContact O-CG2 3.41Å; S231-V235 PolarHBondContact O-N 2.78Å; S231-L969 VanDerWaalsContact N-CD1 3.29Å |
| 232 | R | 61 | Low | 62.7 | Low | 211 Ų | 211 | 74.4 Ų | 74.4 | 80% | 0.796 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.5 | -38.6 | -177.3 | -95 | -179.2 | 170.2 | 168.4 | -3.4 | 114.3 | ||
| 233 | L | 63.1 | Low | 62.6 | Low | 50 Ų | 50 | 70.9 Ų | 70.9 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 178 | -168.8 | 86.2 | 0 | 0 | 0 | 111.4 | S231 N960 A965 | S231-L233 PolarHBondContact O-N 3.14Å; L233-N960 HydrophobicContact CD2-CB 4.45Å; L233-A965 HydrophobicContact CD2-CB 3.6Å |
| 234 | Y | 62.9 | Low | 62.4 | Low | 38 Ų | 38 | 75.6 Ų | 75.6 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.3 | -34.4 | -178.1 | -173.6 | -122.3 | 0 | 0 | 0 | 112.7 | S231 A236 W237 L238 G966 L969 | S231-Y234 PolarHBondContact O-N 2.98Å; Y234-A236 VanDerWaalsContact C-N 3.34Å; Y234-A236 PolarHBondContact O-N 3.21Å; Y234-W237 AromaticContact CD2-CE3 3.76Å; Y234-W237 HydrophobicContact CD2-CE3 3.76Å; Y234-W237 HydrophobicContact CD2-CZ3 4.19Å; Y234-W237 AromaticContact CE2-CE3 3.35Å; Y234-W237 HydrophobicContact CE2-CE3 3.35Å; Y234-W237 HydrophobicContact CE2-CH2 4.45Å; Y234-W237 AromaticContact CE2-CZ3 3.31Å; Y234-W237 HydrophobicContact CE2-CZ3 3.31Å; Y234-W237 AromaticContact CZ-CZ3 3.83Å; Y234-W237 PolarHBondContact O-N 2.7Å; Y234-L238 HydrophobicContact CD1-CD1 3.43Å; Y234-L238 VanDerWaalsContact CD1-CD1 3.43Å; Y234-L238 HydrophobicContact CD1-CG 3.95Å; Y234-L238 HydrophobicContact CE1-CD1 3.44Å; Y234-L238 VanDerWaalsContact CE1-CD1 3.44Å; Y234-L238 HydrophobicContact CE1-CD2 3.9Å; Y234-L238 HydrophobicContact CE1-CG 3.77Å; Y234-L238 HydrophobicContact CE2-CD2 4.47Å; Y234-L238 HydrophobicContact CE2-CG 4.36Å; Y234-L238 HydrophobicContact CG-CD1 4.18Å; Y234-L238 HydrophobicContact CG-CG 4.34Å; Y234-L238 WeakPolarHBondContact O-CG 3.19Å; Y234-L238 PolarHBondContact O-N 2.92Å; Y234-G966 VanDerWaalsContact CD2-CA 3.46Å; Y234-L969 HydrophobicContact CD1-CD2 3.66Å; Y234-L969 HydrophobicContact CE1-CD2 4Å; Y234-L969 HydrophobicContact CG-CD2 4.28Å |
| 235 | V | 65.6 | Low | 62.5 | Low | 24 Ų | 24 | 73.9 Ų | 73.9 | 15% | 0.145 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.8 | -39.4 | 177.8 | 166.8 | 0 | 0 | 0 | 0 | 112.5 | S231 W237 L238 F239 M934 W940 | S231-V235 VanDerWaalsContact O-CG2 3.24Å; S231-V235 WeakPolarHBondContact O-CG2 3.41Å; S231-V235 PolarHBondContact O-N 2.78Å; V235-W237 PolarHBondContact O-N 2.92Å; V235-L238 PolarHBondContact O-N 3.46Å; V235-F239 PolarHBondContact O-N 2.84Å; V235-M934 HydrophobicContact CG1-CE 3.7Å; V235-M934 WeakPolarHBondContact O-CE 3.44Å; V235-W940 HydrophobicContact CG1-CZ2 4.24Å |
| 236 | A | 62.2 | Low | 62.9 | Low | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y234 W940 F948 Y955 | Y234-A236 VanDerWaalsContact C-N 3.34Å; Y234-A236 PolarHBondContact O-N 3.21Å; A236-W940 HydrophobicContact CB-CH2 4.14Å; A236-W940 HydrophobicContact CB-CZ3 4.5Å; A236-F948 HydrophobicContact CB-CE1 4.27Å; A236-F948 HydrophobicContact CB-CZ 4.35Å; A236-Y955 HydrophobicContact CB-CD1 3.4Å; A236-Y955 HydrophobicContact CB-CE1 3.72Å; A236-Y955 HydrophobicContact CB-CG 4.26Å |
| 237 | W | 66 | Low | 62.9 | Low | 66 Ų | 66 | 73.3 Ų | 73.3 | 25% | 0.25 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -73.6 | -38.6 | 175.5 | 174.4 | 79.8 | 0 | 0 | 0 | 112.1 | Y234 V235 F239 V240 C241 F957 P962 | Y234-W237 AromaticContact CD2-CE3 3.76Å; Y234-W237 HydrophobicContact CD2-CE3 3.76Å; Y234-W237 HydrophobicContact CD2-CZ3 4.19Å; Y234-W237 AromaticContact CE2-CE3 3.35Å; Y234-W237 HydrophobicContact CE2-CE3 3.35Å; Y234-W237 HydrophobicContact CE2-CH2 4.45Å; Y234-W237 AromaticContact CE2-CZ3 3.31Å; Y234-W237 HydrophobicContact CE2-CZ3 3.31Å; Y234-W237 AromaticContact CZ-CZ3 3.83Å; Y234-W237 PolarHBondContact O-N 2.7Å; V235-W237 PolarHBondContact O-N 2.92Å; W237-F239 PolarHBondContact O-N 3.38Å; W237-V240 PolarHBondContact O-N 3.3Å; W237-C241 VanDerWaalsContact CE2-SG 3.55Å; W237-C241 VanDerWaalsContact CZ2-SG 3.5Å; W237-C241 PolarHBondContact O-N 3.49Å; W237-F957 HydrophobicContact CB-CE1 3.94Å; W237-F957 HydrophobicContact CB-CZ 4.1Å; W237-P962 HydrophobicContact CB-CB 3.85Å; W237-P962 HydrophobicContact CD2-CB 4.3Å; W237-P962 HydrophobicContact CG-CB 3.68Å; W237-P962 HydrophobicContact CG-CG 4.42Å |
| 238 | L | 65 | Low | 62.9 | Low | 37 Ų | 37 | 79.1 Ų | 79.1 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.7 | -32.7 | 177.8 | -80.9 | 170.5 | 0 | 0 | 0 | 113.3 | Y234 V235 C241 A242 M934 | Y234-L238 HydrophobicContact CD1-CD1 3.43Å; Y234-L238 VanDerWaalsContact CD1-CD1 3.43Å; Y234-L238 HydrophobicContact CD1-CG 3.95Å; Y234-L238 HydrophobicContact CE1-CD1 3.44Å; Y234-L238 VanDerWaalsContact CE1-CD1 3.44Å; Y234-L238 HydrophobicContact CE1-CD2 3.9Å; Y234-L238 HydrophobicContact CE1-CG 3.77Å; Y234-L238 HydrophobicContact CE2-CD2 4.47Å; Y234-L238 HydrophobicContact CE2-CG 4.36Å; Y234-L238 HydrophobicContact CG-CD1 4.18Å; Y234-L238 HydrophobicContact CG-CG 4.34Å; Y234-L238 WeakPolarHBondContact O-CG 3.19Å; Y234-L238 PolarHBondContact O-N 2.92Å; V235-L238 PolarHBondContact O-N 3.46Å; L238-C241 PolarHBondContact O-N 2.83Å; L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 3.39Å; L238-M934 HydrophobicContact CB-CE 4.33Å |
| 239 | F | 67.9 | Low | 63.1 | Low | 2 Ų | 2 | 71.5 Ų | 71.5 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 178.5 | -178 | -99.7 | 0 | 0 | 0 | 112.2 | V235 W237 A242 M934 L935 I941 R945 F948 | V235-F239 PolarHBondContact O-N 2.84Å; W237-F239 PolarHBondContact O-N 3.38Å; F239-A242 PolarHBondContact O-N 2.94Å; F239-M934 HydrophobicContact CB-CE 3.89Å; F239-M934 HydrophobicContact CB-SD 4.26Å; F239-M934 HydrophobicContact CD2-CB 3.9Å; F239-M934 HydrophobicContact CD2-SD 4.1Å; F239-M934 HydrophobicContact CE2-CB 4.35Å; F239-L935 HydrophobicContact CE2-CD2 3.99Å; F239-L935 HydrophobicContact CE2-CG 3.97Å; F239-L935 HydrophobicContact CZ-CD2 3.83Å; F239-L935 HydrophobicContact CZ-CG 4.22Å; F239-I941 HydrophobicContact CD1-CG2 4.35Å; F239-I941 HydrophobicContact CD2-CG2 4.09Å; F239-I941 HydrophobicContact CE1-CG2 4.29Å; F239-I941 HydrophobicContact CE2-CG2 4.03Å; F239-I941 HydrophobicContact CG-CG2 4.27Å; F239-I941 HydrophobicContact CZ-CG2 4.13Å; F239-R945 HydrophobicContact CE1-CG 4.17Å; F239-F948 HydrophobicContact CD1-CD2 4.19Å; F239-F948 HydrophobicContact CD1-CE2 4.15Å |
| 240 | V | 66.6 | Low | 63.5 | Low | 64 Ų | 64 | 66.6 Ų | 66.6 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 179.7 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | W237 F948 | W237-V240 PolarHBondContact O-N 3.3Å; V240-F948 HydrophobicContact CG2-CB 4.44Å |
| 241 | C | 64.6 | Low | 63.7 | Low | 34 Ų | 34 | 72.2 Ų | 72.2 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.7 | -28.3 | 176.9 | -70.1 | 0 | 0 | 0 | 0 | 113.7 | W237 L238 E243 E244 T245 | W237-C241 VanDerWaalsContact CE2-SG 3.55Å; W237-C241 VanDerWaalsContact CZ2-SG 3.5Å; W237-C241 PolarHBondContact O-N 3.49Å; L238-C241 PolarHBondContact O-N 2.83Å; C241-E243 VanDerWaalsContact C-N 3.34Å; C241-E243 PolarHBondContact O-N 3.24Å; C241-E244 PolarHBondContact O-N 3.37Å; C241-T245 WeakPolarHBondContact O-CB 3.44Å; C241-T245 PolarHBondContact O-N 3.15Å; C241-T245 VanDerWaalsContact O-N 3.07Å; C241-T245 PolarHBondContact O-OG1 3.48Å |
| 242 | A | 63.8 | Low | 64.1 | Low | 11 Ų | 11 | 74 Ų | 74 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65 | -36.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L238 F239 T245 K246 V931 | L238-A242 WeakPolarHBondContact O-CB 3.43Å; L238-A242 PolarHBondContact O-N 3.39Å; F239-A242 PolarHBondContact O-N 2.94Å; A242-T245 PolarHBondContact O-N 2.94Å; A242-K246 PolarHBondContact O-N 3.46Å; A242-V931 HydrophobicContact CB-CG2 3.87Å |
| 243 | E | 64.8 | Low | 64.5 | Low | 95 Ų | 95 | 65 Ų | 65 | 44% | 0.444 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.1 | -103.8 | -175.5 | 169.4 | 0 | 0 | 112.8 | C241 V931 R945 | C241-E243 VanDerWaalsContact C-N 3.34Å; C241-E243 PolarHBondContact O-N 3.24Å; E243-V931 HydrophobicContact CG-CG2 4.34Å; E243-R945 IonicContact OE1-NH2 3.5Å; E243-R945 PolarHBondContact OE1-NH2 3.31Å; E243-R945 IonicContact OE2-NH2 3.85Å; E243-R945 PolarHBondContact OE2-NH2 3.19Å |
| 244 | E | 62.8 | Low | 64.8 | Low | 132 Ų | 132 | 70 Ų | 70 | 62% | 0.617 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -72.7 | -34.4 | 176.9 | -77.8 | -172.1 | 145.3 | 0 | 0 | 112.9 | C241 K247 | C241-E244 PolarHBondContact O-N 3.37Å; E244-K247 PolarHBondContact O-N 3.27Å |
| 245 | T | 61 | Low | 65.4 | Low | 55 Ų | 55 | 72.6 Ų | 72.6 | 34% | 0.337 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | -178 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | C241 A242 K247 K248 S249 | C241-T245 WeakPolarHBondContact O-CB 3.44Å; C241-T245 PolarHBondContact O-N 3.15Å; C241-T245 VanDerWaalsContact O-N 3.07Å; C241-T245 PolarHBondContact O-OG1 3.48Å; A242-T245 PolarHBondContact O-N 2.94Å; T245-K247 PolarHBondContact O-N 3.48Å; T245-K248 PolarHBondContact O-N 3.49Å; T245-S249 PolarHBondContact O-N 3.5Å; T245-S249 VanDerWaalsContact O-N 3.13Å; T245-S249 PolarHBondContact O-OG 3.4Å |
| 246 | K | 65 | Low | 65.9 | Low | 108 Ų | 108 | 73.3 Ų | 73.3 | 47% | 0.47 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54.5 | -35.6 | 176 | -174.9 | 178.1 | 177.6 | 177 | 0 | 113.1 | A242 A927 A928 | A242-K246 PolarHBondContact O-N 3.46Å; K246-A927 HydrophobicContact CB-CB 4.34Å; K246-A928 HydrophobicContact CD-CB 4.21Å |
| 247 | K | 60.9 | Low | 66.5 | Low | 178 Ų | 178 | 78.4 Ų | 78.4 | 77% | 0.774 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -78.7 | -39.6 | -179.5 | -80.8 | -177.5 | 175.1 | 177.5 | 0 | 113.6 | E244 T245 | E244-K247 PolarHBondContact O-N 3.27Å; T245-K247 PolarHBondContact O-N 3.48Å |
| 248 | K | 63.2 | Low | 67 | Low | 143 Ų | 143 | 80.4 Ų | 80.4 | 62% | 0.622 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -79.6 | -30.7 | -176.2 | -73.2 | 178.6 | 178.5 | 171.1 | 0 | 113.9 | T245 A250 | T245-K248 PolarHBondContact O-N 3.49Å; K248-A250 VanDerWaalsContact C-N 3.29Å; K248-A250 PolarHBondContact O-N 3.39Å |
| 249 | S | 62.6 | Low | 67.6 | Low | 8 Ų | 8 | 81.6 Ų | 81.6 | 6% | 0.056 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.1 | -24.3 | -177.4 | -66.3 | 0 | 0 | 0 | 0 | 113.9 | T245 L253 | T245-S249 PolarHBondContact O-N 3.5Å; T245-S249 VanDerWaalsContact O-N 3.13Å; T245-S249 PolarHBondContact O-OG 3.4Å; S249-L253 PolarHBondContact O-N 3.49Å |
| 250 | A | 64.9 | Low | 68.3 | Low | 59 Ų | 59 | 82.3 Ų | 82.3 | 49% | 0.488 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.7 | -34.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K248 | K248-A250 VanDerWaalsContact C-N 3.29Å; K248-A250 PolarHBondContact O-N 3.39Å |
| 251 | E | 65 | Low | 69 | Low | 152 Ų | 152 | 82 Ų | 82 | 71% | 0.71 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -76.3 | -40 | 179.6 | -78.7 | 175.9 | 156.8 | 0 | 0 | 112.7 | L253 K254 | E251-L253 VanDerWaalsContact C-N 3.29Å; E251-L253 PolarHBondContact O-N 3.14Å; E251-K254 PolarHBondContact O-N 3.44Å |
| 252 | N | 66.6 | Low | 69.8 | Low | 86 Ų | 86 | 87.1 Ų | 87.1 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.2 | -27.3 | -179.7 | -71.3 | -29.8 | 0 | 0 | 0 | 113.4 | K254 V255 M256 | N252-K254 VanDerWaalsContact C-N 3.27Å; N252-K254 PolarHBondContact O-N 3.32Å; N252-V255 PolarHBondContact O-N 2.92Å; N252-M256 WeakPolarHBondContact O-CG 3.36Å; N252-M256 PolarHBondContact O-N 3.37Å |
| 253 | L | 70.6 | Confident | 70.7 | Confident | 22 Ų | 22 | 89.5 Ų | 89.5 | 12% | 0.115 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -61.9 | -35.4 | -179.1 | -129.3 | 150.4 | 0 | 0 | 0 | 112.3 | S249 E251 Q257 I917 H920 H921 | S249-L253 PolarHBondContact O-N 3.49Å; E251-L253 VanDerWaalsContact C-N 3.29Å; E251-L253 PolarHBondContact O-N 3.14Å; L253-Q257 WeakPolarHBondContact O-CG 3.15Å; L253-Q257 PolarHBondContact O-N 2.92Å; L253-I917 HydrophobicContact CD2-CG2 3.94Å; L253-H920 HydrophobicContact CD1-CB 4.45Å; L253-H921 HydrophobicContact CD1-CB 4.06Å |
| 254 | K | 69.6 | Low | 71.5 | Confident | 156 Ų | 156 | 89.6 Ų | 89.6 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -71.8 | -39.4 | -178.4 | -154.8 | 174.6 | -175.4 | -179.9 | 0 | 112.3 | E251 N252 | E251-K254 PolarHBondContact O-N 3.44Å; N252-K254 VanDerWaalsContact C-N 3.27Å; N252-K254 PolarHBondContact O-N 3.32Å |
| 255 | V | 75.3 | Confident | 72.4 | Confident | 92 Ų | 92 | 86.3 Ų | 86.3 | 56% | 0.558 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.9 | -34.4 | 179.3 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | N252 N259 | N252-V255 PolarHBondContact O-N 2.92Å; V255-N259 PolarHBondContact O-ND2 3.16Å |
| 256 | M | 75.6 | Confident | 73.5 | Confident | 40 Ų | 40 | 88.1 Ų | 88.1 | 20% | 0.197 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -72.5 | -32.6 | 179.8 | -68 | -179.1 | -177.7 | 0 | 0 | 112.9 | N252 N259 I260 L913 N916 I917 | N252-M256 WeakPolarHBondContact O-CG 3.36Å; N252-M256 PolarHBondContact O-N 3.37Å; M256-N259 PolarHBondContact O-N 3.48Å; M256-I260 PolarHBondContact O-N 3.37Å; M256-L913 HydrophobicContact CG-CD2 4.48Å; M256-N916 HydrophobicContact SD-CB 4.49Å; M256-I917 HydrophobicContact CB-CD1 3.85Å; M256-I917 HydrophobicContact CB-CG1 3.72Å; M256-I917 HydrophobicContact SD-CG1 4.41Å |
| 257 | Q | 75.6 | Confident | 74.4 | Confident | 106 Ų | 106 | 84.4 Ų | 84.4 | 50% | 0.495 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 176.4 | -74.8 | 175.4 | -15.7 | 0 | 0 | 112.1 | L253 N259 I260 A261 I917 | L253-Q257 WeakPolarHBondContact O-CG 3.15Å; L253-Q257 PolarHBondContact O-N 2.92Å; Q257-N259 VanDerWaalsContact C-N 3.3Å; Q257-N259 PolarHBondContact O-N 3.26Å; Q257-I260 PolarHBondContact O-N 2.94Å; Q257-A261 PolarHBondContact O-N 2.63Å; Q257-I917 HydrophobicContact CG-CD1 3.93Å |
| 258 | D | 75.9 | Confident | 75.5 | Confident | 108 Ų | 108 | 79 Ų | 79 | 58% | 0.578 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.5 | -29.7 | 177.9 | -71.2 | -18.5 | 0 | 0 | 0 | 113.1 | ||
| 259 | N | 78.4 | Confident | 76.6 | Confident | 62 Ų | 62 | 77.1 Ų | 77.1 | 33% | 0.332 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -74.5 | -38.2 | 177.7 | -73.6 | -31.8 | 0 | 0 | 0 | 112.4 | V255 M256 Q257 A261 K262 M263 L913 | V255-N259 PolarHBondContact O-ND2 3.16Å; M256-N259 PolarHBondContact O-N 3.48Å; Q257-N259 VanDerWaalsContact C-N 3.3Å; Q257-N259 PolarHBondContact O-N 3.26Å; N259-A261 VanDerWaalsContact C-N 3.32Å; N259-A261 PolarHBondContact O-N 2.98Å; N259-K262 PolarHBondContact O-N 3.45Å; N259-M263 HydrophobicContact CB-SD 4.43Å; N259-M263 PolarHBondContact O-N 3.08Å; N259-M263 VanDerWaalsContact O-N 3.11Å; N259-L913 HydrophobicContact CB-CD1 4.49Å |
| 260 | I | 82.2 | Confident | 77.8 | Confident | 17 Ų | 17 | 78 Ų | 78 | 9% | 0.087 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 175.7 | -71.8 | 173.2 | 0 | 0 | 0 | 110.9 | M256 Q257 K262 M263 Q264 I910 L913 E914 I917 | M256-I260 PolarHBondContact O-N 3.37Å; Q257-I260 PolarHBondContact O-N 2.94Å; I260-K262 VanDerWaalsContact C-N 3.29Å; I260-K262 PolarHBondContact O-N 3.18Å; I260-M263 PolarHBondContact O-N 3.36Å; I260-Q264 HydrophobicContact CG2-CG 4.16Å; I260-Q264 WeakPolarHBondContact O-CG 3.26Å; I260-Q264 PolarHBondContact O-N 3.42Å; I260-I910 HydrophobicContact CG2-CG2 4.28Å; I260-L913 HydrophobicContact CD1-CB 4.01Å; I260-L913 HydrophobicContact CG1-CB 3.9Å; I260-L913 HydrophobicContact CG1-CD1 4.29Å; I260-E914 HydrophobicContact CD1-CG 3.68Å; I260-I917 HydrophobicContact CD1-CD1 3.3Å; I260-I917 HydrophobicContact CG1-CD1 4.42Å |
| 261 | A | 80.6 | Confident | 78.7 | Confident | 58 Ų | 58 | 79.6 Ų | 79.6 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q257 N259 A265 | Q257-A261 PolarHBondContact O-N 2.63Å; N259-A261 VanDerWaalsContact C-N 3.32Å; N259-A261 PolarHBondContact O-N 2.98Å; A261-A265 PolarHBondContact O-N 3.46Å |
| 262 | K | 81.4 | Confident | 79.7 | Confident | 141 Ų | 141 | 75.9 Ų | 75.9 | 61% | 0.613 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68 | -42.2 | 176.3 | -70.2 | 176.3 | -177.7 | 171.8 | 0 | 112.8 | N259 I260 A265 N266 | N259-K262 PolarHBondContact O-N 3.45Å; I260-K262 VanDerWaalsContact C-N 3.29Å; I260-K262 PolarHBondContact O-N 3.18Å; K262-A265 PolarHBondContact O-N 2.88Å; K262-N266 PolarHBondContact O-N 3.24Å |
| 263 | M | 82.2 | Confident | 80.6 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 31% | 0.305 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.1 | -35 | 177.7 | -81.1 | 105.4 | 174.8 | 0 | 0 | 112.6 | N259 I260 N266 M267 I910 L913 | N259-M263 HydrophobicContact CB-SD 4.43Å; N259-M263 PolarHBondContact O-N 3.08Å; N259-M263 VanDerWaalsContact O-N 3.11Å; I260-M263 PolarHBondContact O-N 3.36Å; M263-N266 PolarHBondContact O-N 3.12Å; M263-M267 WeakPolarHBondContact O-CG 3.38Å; M263-M267 PolarHBondContact O-N 3.03Å; M263-I910 HydrophobicContact CB-CD1 3.82Å; M263-I910 HydrophobicContact CB-CG1 3.82Å; M263-L913 HydrophobicContact SD-CD1 4.4Å |
| 264 | Q | 82.1 | Confident | 81.3 | Confident | 97 Ų | 97 | 75 Ų | 75 | 45% | 0.453 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 175.3 | -74.5 | 175.9 | -14.8 | 0 | 0 | 112.2 | I260 M267 A268 I910 | I260-Q264 HydrophobicContact CG2-CG 4.16Å; I260-Q264 WeakPolarHBondContact O-CG 3.26Å; I260-Q264 PolarHBondContact O-N 3.42Å; Q264-M267 PolarHBondContact O-N 3.37Å; Q264-A268 PolarHBondContact O-N 3.03Å; Q264-A268 VanDerWaalsContact O-N 3.17Å; Q264-I910 HydrophobicContact CG-CD1 3.84Å |
| 265 | A | 82.7 | Confident | 82.1 | Confident | 62 Ų | 62 | 73.6 Ų | 73.6 | 51% | 0.512 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A261 K262 M267 A268 E269 | A261-A265 PolarHBondContact O-N 3.46Å; K262-A265 PolarHBondContact O-N 2.88Å; A265-M267 VanDerWaalsContact C-N 3.34Å; A265-M267 PolarHBondContact O-N 3.01Å; A265-A268 PolarHBondContact O-N 3.5Å; A265-E269 PolarHBondContact O-N 3.07Å |
| 266 | N | 83.9 | Confident | 82.7 | Confident | 94 Ų | 94 | 75 Ų | 75 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.5 | -35.2 | 177.6 | -70.9 | -12 | 0 | 0 | 0 | 112.8 | K262 M263 E269 N270 | K262-N266 PolarHBondContact O-N 3.24Å; M263-N266 PolarHBondContact O-N 3.12Å; N266-E269 PolarHBondContact O-N 3.47Å; N266-N270 PolarHBondContact O-N 3.48Å; N266-N270 VanDerWaalsContact O-N 3.14Å |
| 267 | M | 83.6 | Confident | 83.3 | Confident | 29 Ų | 29 | 74.6 Ų | 74.6 | 14% | 0.143 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 175.6 | -77.6 | -172.9 | 61.3 | 0 | 0 | 112.3 | M263 Q264 A265 E269 N270 E271 N903 A906 Q907 I910 | M263-M267 WeakPolarHBondContact O-CG 3.38Å; M263-M267 PolarHBondContact O-N 3.03Å; Q264-M267 PolarHBondContact O-N 3.37Å; A265-M267 VanDerWaalsContact C-N 3.34Å; A265-M267 PolarHBondContact O-N 3.01Å; M267-E269 VanDerWaalsContact C-N 3.32Å; M267-E269 PolarHBondContact O-N 3.2Å; M267-N270 PolarHBondContact O-N 2.87Å; M267-E271 WeakPolarHBondContact O-CB 3.48Å; M267-E271 PolarHBondContact O-N 3.42Å; M267-N903 HydrophobicContact CE-CB 4.28Å; M267-N903 PolarHBondContact O-ND2 3.45Å; M267-A906 HydrophobicContact CG-CB 3.75Å; M267-A906 HydrophobicContact SD-CB 3.86Å; M267-Q907 HydrophobicContact CE-CB 3.89Å; M267-Q907 HydrophobicContact CE-CG 4.35Å; M267-Q907 HydrophobicContact SD-CB 4.09Å; M267-Q907 PolarHBondContact SD-OE1 3.27Å; M267-I910 HydrophobicContact SD-CD1 3.62Å |
| 268 | A | 84.2 | Confident | 83.7 | Confident | 64 Ų | 64 | 71.7 Ų | 71.7 | 53% | 0.529 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q264 A265 E271 S272 | Q264-A268 PolarHBondContact O-N 3.03Å; Q264-A268 VanDerWaalsContact O-N 3.17Å; A265-A268 PolarHBondContact O-N 3.5Å; A268-E271 PolarHBondContact O-N 3.44Å; A268-S272 PolarHBondContact O-N 3.3Å |
| 269 | E | 86.2 | Confident | 84.3 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 175.1 | -167.2 | -168.6 | 155 | 0 | 0 | 112.1 | A265 N266 M267 S272 K273 | A265-E269 PolarHBondContact O-N 3.07Å; N266-E269 PolarHBondContact O-N 3.47Å; M267-E269 VanDerWaalsContact C-N 3.32Å; M267-E269 PolarHBondContact O-N 3.2Å; E269-S272 PolarHBondContact O-N 2.98Å; E269-K273 PolarHBondContact O-N 3.34Å; E269-K273 IonicContact OE1-NZ 3.6Å; E269-K273 PolarHBondContact OE1-NZ 2.82Å |
| 270 | N | 86.3 | Confident | 84.7 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 15% | 0.15 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 176.8 | -72.8 | -18.8 | 0 | 0 | 0 | 112.4 | N266 M267 S272 K273 I274 M899 N903 | N266-N270 PolarHBondContact O-N 3.48Å; N266-N270 VanDerWaalsContact O-N 3.14Å; M267-N270 PolarHBondContact O-N 2.87Å; N270-S272 VanDerWaalsContact C-N 3.33Å; N270-S272 PolarHBondContact O-N 3.42Å; N270-K273 PolarHBondContact O-N 3.05Å; N270-I274 VanDerWaalsContact O-CG1 3.28Å; N270-I274 WeakPolarHBondContact O-CG1 3.36Å; N270-I274 PolarHBondContact O-N 3.41Å; N270-M899 HydrophobicContact CB-CE 4.4Å; N270-M899 WeakPolarHBondContact OD1-CE 3.49Å; N270-N903 WeakPolarHBondContact CB-OD1 3.12Å; N270-N903 PolarHBondContact ND2-OD1 2.98Å |
| 271 | E | 85.1 | Confident | 84.9 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 178.1 | -154.4 | 71.3 | -155.2 | 0 | 0 | 111 | M267 A268 I274 Q275 N903 | M267-E271 WeakPolarHBondContact O-CB 3.48Å; M267-E271 PolarHBondContact O-N 3.42Å; A268-E271 PolarHBondContact O-N 3.44Å; E271-I274 PolarHBondContact O-N 3.49Å; E271-Q275 WeakPolarHBondContact O-CG 3.45Å; E271-Q275 PolarHBondContact O-N 2.99Å; E271-N903 PolarHBondContact OE2-ND2 3.49Å |
| 272 | S | 85.7 | Confident | 85.1 | Confident | 74 Ų | 74 | 73.6 Ų | 73.6 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 174 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | A268 E269 N270 Q275 E276 | A268-S272 PolarHBondContact O-N 3.3Å; E269-S272 PolarHBondContact O-N 2.98Å; N270-S272 VanDerWaalsContact C-N 3.33Å; N270-S272 PolarHBondContact O-N 3.42Å; S272-Q275 PolarHBondContact O-N 3.46Å; S272-E276 PolarHBondContact O-N 3.25Å; S272-E276 VanDerWaalsContact O-N 3.1Å |
| 273 | K | 84.7 | Confident | 85.4 | Confident | 82 Ų | 82 | 72.2 Ų | 72.2 | 36% | 0.357 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.4 | -36.9 | 175.5 | -70.3 | 174.6 | -172.6 | 163.2 | 0 | 112.7 | E269 N270 Q275 E276 L277 M899 | E269-K273 PolarHBondContact O-N 3.34Å; E269-K273 IonicContact OE1-NZ 3.6Å; E269-K273 PolarHBondContact OE1-NZ 2.82Å; N270-K273 PolarHBondContact O-N 3.05Å; K273-Q275 VanDerWaalsContact C-N 3.35Å; K273-E276 PolarHBondContact O-N 3.39Å; K273-L277 WeakPolarHBondContact O-CB 3.3Å; K273-L277 WeakPolarHBondContact O-CG 3.44Å; K273-L277 PolarHBondContact O-N 3.03Å; K273-M899 HydrophobicContact CB-CE 4.49Å; K273-M899 HydrophobicContact CD-CE 3.9Å |
| 274 | I | 86.8 | Confident | 85.5 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.7 | -72.3 | 163.2 | 0 | 0 | 0 | 110.3 | N270 E271 S278 V896 M899 R900 | N270-I274 VanDerWaalsContact O-CG1 3.28Å; N270-I274 WeakPolarHBondContact O-CG1 3.36Å; N270-I274 PolarHBondContact O-N 3.41Å; E271-I274 PolarHBondContact O-N 3.49Å; I274-S278 WeakPolarHBondContact O-CB 3.43Å; I274-S278 PolarHBondContact O-N 2.93Å; I274-S278 PolarHBondContact O-OG 3.3Å; I274-S278 VanDerWaalsContact O-OG 3.11Å; I274-V896 HydrophobicContact CG2-CG1 4.28Å; I274-M899 HydrophobicContact CD1-CB 4.09Å; I274-M899 HydrophobicContact CG1-CB 3.94Å; I274-R900 HydrophobicContact CD1-CG 3.8Å |
| 275 | Q | 85.7 | Confident | 85.6 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 58% | 0.584 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.4 | -46.8 | 176.8 | -74.2 | 179.2 | -0 | 0 | 0 | 111.5 | E271 S272 K273 S278 A279 | E271-Q275 WeakPolarHBondContact O-CG 3.45Å; E271-Q275 PolarHBondContact O-N 2.99Å; S272-Q275 PolarHBondContact O-N 3.46Å; K273-Q275 VanDerWaalsContact C-N 3.35Å; Q275-S278 WeakPolarHBondContact CA-OG 3.34Å; Q275-S278 PolarHBondContact O-N 3.39Å; Q275-S278 PolarHBondContact O-OG 3.5Å; Q275-A279 PolarHBondContact O-N 3.15Å |
| 276 | E | 87.6 | Confident | 85.7 | Confident | 121 Ų | 121 | 73.9 Ų | 73.9 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.7 | -49.9 | 177.4 | -171.3 | 178.7 | -177.1 | 0 | 0 | 112.5 | S272 K273 S278 A279 Q280 | S272-E276 PolarHBondContact O-N 3.25Å; S272-E276 VanDerWaalsContact O-N 3.1Å; K273-E276 PolarHBondContact O-N 3.39Å; E276-S278 VanDerWaalsContact C-N 3.32Å; E276-S278 PolarHBondContact O-N 2.95Å; E276-A279 PolarHBondContact O-N 2.92Å; E276-Q280 WeakPolarHBondContact O-CG 3.3Å; E276-Q280 PolarHBondContact O-N 3.48Å; E276-Q280 VanDerWaalsContact O-N 3.11Å |
| 277 | L | 87.4 | Confident | 85.7 | Confident | 33 Ų | 33 | 74.2 Ų | 74.2 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.9 | -37 | 177.9 | -73.2 | 170.9 | 0 | 0 | 0 | 112.2 | K273 Q280 I281 E895 V896 | K273-L277 WeakPolarHBondContact O-CB 3.3Å; K273-L277 WeakPolarHBondContact O-CG 3.44Å; K273-L277 PolarHBondContact O-N 3.03Å; L277-Q280 PolarHBondContact O-N 3.25Å; L277-I281 VanDerWaalsContact O-CG1 3.26Å; L277-I281 WeakPolarHBondContact O-CG1 3.15Å; L277-I281 PolarHBondContact O-N 3.47Å; L277-E895 HydrophobicContact CD1-CG 4.27Å; L277-V896 HydrophobicContact CB-CG2 3.57Å; L277-V896 HydrophobicContact CD1-CG2 4.09Å; L277-V896 HydrophobicContact CG-CG2 4.47Å |
| 278 | S | 85.1 | Confident | 85.8 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 32% | 0.315 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.2 | -35.6 | 177.7 | 71.5 | 0 | 0 | 0 | 0 | 112.8 | I274 Q275 E276 I281 Q282 | I274-S278 WeakPolarHBondContact O-CB 3.43Å; I274-S278 PolarHBondContact O-N 2.93Å; I274-S278 PolarHBondContact O-OG 3.3Å; I274-S278 VanDerWaalsContact O-OG 3.11Å; Q275-S278 WeakPolarHBondContact CA-OG 3.34Å; Q275-S278 PolarHBondContact O-N 3.39Å; Q275-S278 PolarHBondContact O-OG 3.5Å; E276-S278 VanDerWaalsContact C-N 3.32Å; E276-S278 PolarHBondContact O-N 2.95Å; S278-I281 PolarHBondContact O-N 3.08Å; S278-Q282 PolarHBondContact O-N 2.91Å |
| 279 | A | 87.5 | Confident | 85.7 | Confident | 56 Ų | 56 | 75.7 Ų | 75.7 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q275 E276 I281 Q282 E283 | Q275-A279 PolarHBondContact O-N 3.15Å; E276-A279 PolarHBondContact O-N 2.92Å; A279-I281 PolarHBondContact O-N 3.36Å; A279-Q282 PolarHBondContact O-N 3.04Å; A279-E283 PolarHBondContact O-N 3.28Å |
| 280 | Q | 87 | Confident | 85.5 | Confident | 67 Ų | 67 | 76.6 Ų | 76.6 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.2 | -67.2 | -178.5 | 17.4 | 0 | 0 | 112.6 | E276 L277 E283 Q284 | E276-Q280 WeakPolarHBondContact O-CG 3.3Å; E276-Q280 PolarHBondContact O-N 3.48Å; E276-Q280 VanDerWaalsContact O-N 3.11Å; L277-Q280 PolarHBondContact O-N 3.25Å; Q280-E283 PolarHBondContact O-N 3.12Å; Q280-Q284 WeakPolarHBondContact O-CB 3.4Å; Q280-Q284 PolarHBondContact O-N 2.81Å |
| 281 | I | 87.5 | Confident | 85.3 | Confident | 13 Ų | 13 | 77.9 Ų | 77.9 | 7% | 0.067 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.2 | -72 | 164.1 | 0 | 0 | 0 | 110.2 | L277 S278 A279 E283 Q284 Q285 L889 K892 V896 | L277-I281 VanDerWaalsContact O-CG1 3.26Å; L277-I281 WeakPolarHBondContact O-CG1 3.15Å; L277-I281 PolarHBondContact O-N 3.47Å; S278-I281 PolarHBondContact O-N 3.08Å; A279-I281 PolarHBondContact O-N 3.36Å; I281-E283 VanDerWaalsContact C-N 3.34Å; I281-E283 PolarHBondContact O-N 2.89Å; I281-Q284 PolarHBondContact O-N 3.17Å; I281-Q285 WeakPolarHBondContact O-CB 3.29Å; I281-Q285 PolarHBondContact O-N 3.33Å; I281-L889 HydrophobicContact CB-CD2 4.49Å; I281-L889 HydrophobicContact CG2-CD2 4.04Å; I281-K892 HydrophobicContact CD1-CB 4.07Å; I281-K892 HydrophobicContact CG1-CB 3.89Å; I281-V896 HydrophobicContact CD1-CG2 3.82Å |
| 282 | Q | 85.3 | Confident | 85 | Confident | 148 Ų | 148 | 75.6 Ų | 75.6 | 69% | 0.692 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.3 | -41 | 177.3 | -80.1 | -171.9 | -18.6 | 0 | 0 | 112.6 | S278 A279 K286 | S278-Q282 PolarHBondContact O-N 2.91Å; A279-Q282 PolarHBondContact O-N 3.04Å; Q282-K286 WeakPolarHBondContact O-CB 3.4Å; Q282-K286 PolarHBondContact O-N 2.98Å |
| 283 | E | 86.9 | Confident | 84.6 | Confident | 113 Ų | 113 | 77.8 Ų | 77.8 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.4 | -46.2 | 177.9 | -165.9 | -172.2 | 156.2 | 0 | 0 | 112 | A279 Q280 I281 Q285 K286 K287 | A279-E283 PolarHBondContact O-N 3.28Å; Q280-E283 PolarHBondContact O-N 3.12Å; I281-E283 VanDerWaalsContact C-N 3.34Å; I281-E283 PolarHBondContact O-N 2.89Å; E283-Q285 VanDerWaalsContact C-N 3.34Å; E283-Q285 PolarHBondContact O-N 2.86Å; E283-K286 PolarHBondContact O-N 3.19Å; E283-K287 WeakPolarHBondContact O-CG 3.46Å; E283-K287 PolarHBondContact O-N 2.89Å; E283-K287 VanDerWaalsContact O-N 3.08Å; E283-K287 WeakPolarHBondContact OE1-CE 3.45Å; E283-K287 IonicContact OE1-NZ 2.72Å; E283-K287 PolarHBondContact OE1-NZ 2.94Å |
| 284 | Q | 84.9 | Confident | 84.5 | Confident | 46 Ų | 46 | 75.4 Ų | 75.4 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 177.1 | -76.5 | -170.8 | -53.4 | 0 | 0 | 112 | Q280 I281 K287 R288 E888 L889 | Q280-Q284 WeakPolarHBondContact O-CB 3.4Å; Q280-Q284 PolarHBondContact O-N 2.81Å; I281-Q284 PolarHBondContact O-N 3.17Å; Q284-K287 PolarHBondContact O-N 2.85Å; Q284-R288 WeakPolarHBondContact O-CB 3.46Å; Q284-R288 PolarHBondContact O-N 2.89Å; Q284-E888 PolarHBondContact NE2-OE2 3.33Å; Q284-L889 HydrophobicContact CB-CD2 3.86Å; Q284-L889 HydrophobicContact CB-CG 4.32Å |
| 285 | Q | 83.6 | Confident | 84.3 | Confident | 73 Ų | 73 | 78 Ų | 78 | 34% | 0.341 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 177.2 | -171 | 153.4 | 1.1 | 0 | 0 | 111.8 | I281 E283 R288 D289 L889 | I281-Q285 WeakPolarHBondContact O-CB 3.29Å; I281-Q285 PolarHBondContact O-N 3.33Å; E283-Q285 VanDerWaalsContact C-N 3.34Å; E283-Q285 PolarHBondContact O-N 2.86Å; Q285-R288 PolarHBondContact O-N 3.2Å; Q285-D289 WeakPolarHBondContact O-CB 3.27Å; Q285-D289 VanDerWaalsContact O-CG 3.24Å; Q285-D289 PolarHBondContact O-N 3.11Å; Q285-L889 HydrophobicContact CB-CD2 4.42Å |
| 286 | K | 85.2 | Confident | 84.3 | Confident | 137 Ų | 137 | 73.1 Ų | 73.1 | 60% | 0.596 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 173.9 | -170 | 179.1 | -178.9 | -177.9 | 0 | 112.6 | Q282 E283 Q290 | Q282-K286 WeakPolarHBondContact O-CB 3.4Å; Q282-K286 PolarHBondContact O-N 2.98Å; E283-K286 PolarHBondContact O-N 3.19Å; K286-Q290 VanDerWaalsContact O-CG 3.27Å; K286-Q290 WeakPolarHBondContact O-CG 3.23Å; K286-Q290 PolarHBondContact O-N 3.39Å; K286-Q290 VanDerWaalsContact O-N 3.12Å |
| 287 | K | 83.1 | Confident | 84.1 | Confident | 101 Ų | 101 | 73.1 Ų | 73.1 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 174.5 | -74.3 | 173.2 | -177.6 | 163 | 0 | 111 | E283 Q284 D289 Q290 E291 | E283-K287 WeakPolarHBondContact O-CG 3.46Å; E283-K287 PolarHBondContact O-N 2.89Å; E283-K287 VanDerWaalsContact O-N 3.08Å; E283-K287 WeakPolarHBondContact OE1-CE 3.45Å; E283-K287 IonicContact OE1-NZ 2.72Å; E283-K287 PolarHBondContact OE1-NZ 2.94Å; Q284-K287 PolarHBondContact O-N 2.85Å; K287-D289 PolarHBondContact O-N 2.98Å; K287-Q290 WeakPolarHBondContact O-CB 3.45Å; K287-Q290 PolarHBondContact O-N 3.48Å; K287-E291 PolarHBondContact O-N 3.13Å |
| 288 | R | 85.5 | Confident | 84 | Confident | 53 Ų | 53 | 75.4 Ų | 75.4 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.4 | -175 | -98.5 | -56.7 | -141.2 | 3.6 | 112.7 | Q284 Q285 Q290 E291 V292 D886 | Q284-R288 WeakPolarHBondContact O-CB 3.46Å; Q284-R288 PolarHBondContact O-N 2.89Å; Q285-R288 PolarHBondContact O-N 3.2Å; R288-Q290 VanDerWaalsContact C-N 3.29Å; R288-Q290 PolarHBondContact O-N 2.86Å; R288-E291 PolarHBondContact O-N 3.35Å; R288-V292 HydrophobicContact CG-CG2 4.49Å; R288-V292 VanDerWaalsContact O-CG2 3.29Å; R288-V292 WeakPolarHBondContact O-CG2 3.44Å; R288-V292 PolarHBondContact O-N 2.66Å; R288-D886 IonicContact CZ-OD1 2.61Å; R288-D886 IonicContact NE-OD1 2.69Å; R288-D886 IonicContact NH1-OD1 3.79Å; R288-D886 PolarHBondContact NH1-OD1 3.02Å |
| 289 | D | 81.9 | Confident | 84.1 | Confident | 71 Ų | 71 | 74.5 Ų | 74.5 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66 | -32.1 | 178.3 | -70.8 | -15.5 | 0 | 0 | 0 | 112.5 | Q285 K287 N293 | Q285-D289 WeakPolarHBondContact O-CB 3.27Å; Q285-D289 VanDerWaalsContact O-CG 3.24Å; Q285-D289 PolarHBondContact O-N 3.11Å; K287-D289 PolarHBondContact O-N 2.98Å; D289-N293 VanDerWaalsContact O-CB 3.29Å; D289-N293 WeakPolarHBondContact O-CB 3.43Å; D289-N293 PolarHBondContact O-N 2.98Å; D289-N293 PolarHBondContact O-ND2 3.03Å; D289-N293 VanDerWaalsContact O-ND2 3.08Å |
| 290 | Q | 82.9 | Confident | 84 | Confident | 123 Ų | 123 | 75.7 Ų | 75.7 | 58% | 0.575 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.9 | -41.8 | 173 | -74.3 | 174.8 | -10.8 | 0 | 0 | 111.9 | K286 K287 R288 G294 | K286-Q290 VanDerWaalsContact O-CG 3.27Å; K286-Q290 WeakPolarHBondContact O-CG 3.23Å; K286-Q290 PolarHBondContact O-N 3.39Å; K286-Q290 VanDerWaalsContact O-N 3.12Å; K287-Q290 WeakPolarHBondContact O-CB 3.45Å; K287-Q290 PolarHBondContact O-N 3.48Å; R288-Q290 VanDerWaalsContact C-N 3.29Å; R288-Q290 PolarHBondContact O-N 2.86Å; Q290-G294 WeakPolarHBondContact O-CA 3.35Å; Q290-G294 PolarHBondContact O-N 3.38Å |
| 291 | E | 82.1 | Confident | 84.1 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 25% | 0.252 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -67.6 | -39.1 | 177.4 | -73 | -178.2 | -168 | 0 | 0 | 112.5 | K287 R288 V295 L296 Q885 | K287-E291 PolarHBondContact O-N 3.13Å; R288-E291 PolarHBondContact O-N 3.35Å; E291-V295 PolarHBondContact O-N 3.2Å; E291-V295 VanDerWaalsContact O-N 3.14Å; E291-L296 PolarHBondContact O-N 3.39Å; E291-Q885 PolarHBondContact OE1-NE2 2.97Å; E291-Q885 PolarHBondContact OE2-NE2 3.08Å; E291-Q885 PolarHBondContact OE2-OE1 3.12Å |
| 292 | V | 78.6 | Confident | 84.1 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | I | π-helix | trans | -70.4 | -50.1 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | R288 L296 K297 I882 | R288-V292 HydrophobicContact CG-CG2 4.49Å; R288-V292 VanDerWaalsContact O-CG2 3.29Å; R288-V292 WeakPolarHBondContact O-CG2 3.44Å; R288-V292 PolarHBondContact O-N 2.66Å; V292-L296 HydrophobicContact CG1-CD2 4.32Å; V292-L296 WeakPolarHBondContact O-CB 3.39Å; V292-K297 PolarHBondContact O-N 2.76Å; V292-I882 HydrophobicContact CG2-CD1 3.96Å; V292-I882 HydrophobicContact CG2-CG1 4.35Å; V292-I882 HydrophobicContact CG2-CG2 4.15Å |
| 293 | N | 76.9 | Confident | 84.3 | Confident | 119 Ų | 119 | 73.2 Ų | 73.2 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | I | π-helix | trans | -77.6 | -24.5 | -175.4 | -71.2 | -45.5 | 0 | 0 | 0 | 113.6 | D289 | D289-N293 VanDerWaalsContact O-CB 3.29Å; D289-N293 WeakPolarHBondContact O-CB 3.43Å; D289-N293 PolarHBondContact O-N 2.98Å; D289-N293 PolarHBondContact O-ND2 3.03Å; D289-N293 VanDerWaalsContact O-ND2 3.08Å |
| 294 | G | 82.8 | Confident | 84.4 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | I | π-helix | trans | -94.5 | -82.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q290 K297 T298 | Q290-G294 WeakPolarHBondContact O-CA 3.35Å; Q290-G294 PolarHBondContact O-N 3.38Å; G294-K297 PolarHBondContact O-N 3.39Å; G294-T298 WeakPolarHBondContact O-CG2 3.45Å; G294-T298 PolarHBondContact O-N 2.95Å; G294-T298 PolarHBondContact O-OG1 2.92Å |
| 295 | V | 82.8 | Confident | 84.5 | Confident | 63 Ų | 63 | 72 Ų | 72 | 38% | 0.382 | 38% | 0.376 | S | S | . | . | I | π-helix | trans | -66.2 | -48.5 | -165.7 | -176 | 0 | 0 | 0 | 0 | 112 | E291 K297 T298 L299 Q878 | E291-V295 PolarHBondContact O-N 3.2Å; E291-V295 VanDerWaalsContact O-N 3.14Å; V295-K297 PolarHBondContact O-N 2.86Å; V295-T298 WeakPolarHBondContact CA-OG1 3.22Å; V295-T298 PolarHBondContact O-N 3.25Å; V295-T298 PolarHBondContact O-OG1 2.97Å; V295-L299 HydrophobicContact CG1-CD1 3.95Å; V295-L299 HydrophobicContact CG1-CG 4.45Å; V295-L299 WeakPolarHBondContact O-CG 3.48Å; V295-L299 PolarHBondContact O-N 3.1Å; V295-Q878 HydrophobicContact CG1-CG 4.21Å |
| 296 | L | 84.8 | Confident | 84.8 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | I | π-helix | trans | -61.2 | -46.2 | -178.8 | -173.4 | 74.6 | 0 | 0 | 0 | 111.2 | E291 V292 T298 L299 E300 L875 Q878 K879 I882 | E291-L296 PolarHBondContact O-N 3.39Å; V292-L296 HydrophobicContact CG1-CD2 4.32Å; V292-L296 WeakPolarHBondContact O-CB 3.39Å; L296-T298 PolarHBondContact O-N 3.31Å; L296-L299 PolarHBondContact O-N 2.94Å; L296-E300 WeakPolarHBondContact O-CG 3.3Å; L296-E300 PolarHBondContact O-N 3.01Å; L296-L875 HydrophobicContact CD1-CD1 3.69Å; L296-Q878 HydrophobicContact CD1-CG 4.42Å; L296-K879 HydrophobicContact CD1-CG 3.8Å; L296-I882 HydrophobicContact CB-CD1 4.19Å; L296-I882 HydrophobicContact CD1-CD1 4.04Å; L296-I882 HydrophobicContact CD2-CD1 4.01Å; L296-I882 HydrophobicContact CG-CD1 4.31Å |
| 297 | K | 84.6 | Confident | 85 | Confident | 122 Ų | 122 | 67.2 Ų | 67.2 | 53% | 0.53 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 178.3 | -167.4 | 173.6 | -177.7 | 177.8 | 0 | 112.3 | V292 G294 V295 L299 E300 D301 | V292-K297 PolarHBondContact O-N 2.76Å; G294-K297 PolarHBondContact O-N 3.39Å; V295-K297 PolarHBondContact O-N 2.86Å; K297-L299 VanDerWaalsContact C-N 3.32Å; K297-L299 PolarHBondContact O-N 3.34Å; K297-E300 PolarHBondContact O-N 3.4Å; K297-D301 WeakPolarHBondContact O-CB 3.35Å; K297-D301 PolarHBondContact O-N 3.43Å |
| 298 | T | 85.8 | Confident | 85.3 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 49% | 0.491 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 175.2 | 53 | 0 | 0 | 0 | 0 | 112.8 | G294 V295 L296 D301 T302 | G294-T298 WeakPolarHBondContact O-CG2 3.45Å; G294-T298 PolarHBondContact O-N 2.95Å; G294-T298 PolarHBondContact O-OG1 2.92Å; V295-T298 WeakPolarHBondContact CA-OG1 3.22Å; V295-T298 PolarHBondContact O-N 3.25Å; V295-T298 PolarHBondContact O-OG1 2.97Å; L296-T298 PolarHBondContact O-N 3.31Å; T298-D301 PolarHBondContact O-N 2.85Å; T298-T302 VanDerWaalsContact O-CG2 3.3Å; T298-T302 WeakPolarHBondContact O-CG2 3.47Å; T298-T302 PolarHBondContact O-N 2.97Å; T298-T302 PolarHBondContact O-OG1 3.39Å |
| 299 | L | 87.4 | Confident | 85.5 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 14% | 0.136 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -72 | -32.8 | 176.5 | -71.1 | 172.7 | 0 | 0 | 0 | 112.4 | V295 L296 K297 T302 L303 E874 L875 Q878 | V295-L299 HydrophobicContact CG1-CD1 3.95Å; V295-L299 HydrophobicContact CG1-CG 4.45Å; V295-L299 WeakPolarHBondContact O-CG 3.48Å; V295-L299 PolarHBondContact O-N 3.1Å; L296-L299 PolarHBondContact O-N 2.94Å; K297-L299 VanDerWaalsContact C-N 3.32Å; K297-L299 PolarHBondContact O-N 3.34Å; L299-T302 VanDerWaalsContact CA-OG1 3.3Å; L299-T302 WeakPolarHBondContact CA-OG1 3.26Å; L299-T302 PolarHBondContact O-OG1 2.69Å; L299-L303 WeakPolarHBondContact O-CB 3.49Å; L299-L303 PolarHBondContact O-N 3.4Å; L299-E874 HydrophobicContact CD2-CB 4.32Å; L299-L875 HydrophobicContact CB-CD1 3.79Å; L299-Q878 HydrophobicContact CD1-CB 3.84Å; L299-Q878 HydrophobicContact CD1-CG 4.09Å |
| 300 | E | 85.1 | Confident | 86 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 172.7 | -72.3 | -178.4 | 159.4 | 0 | 0 | 111.4 | L296 K297 L303 A304 L875 K879 | L296-E300 WeakPolarHBondContact O-CG 3.3Å; L296-E300 PolarHBondContact O-N 3.01Å; K297-E300 PolarHBondContact O-N 3.4Å; E300-L303 PolarHBondContact O-N 3.07Å; E300-A304 VanDerWaalsContact O-CB 3.31Å; E300-A304 WeakPolarHBondContact O-CB 3.31Å; E300-A304 PolarHBondContact O-N 3.05Å; E300-L875 HydrophobicContact CG-CD1 3.66Å; E300-L875 HydrophobicContact CG-CD2 4.21Å; E300-K879 IonicContact OE1-NZ 3.13Å |
| 301 | D | 87.8 | Confident | 86.2 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 175.2 | -71.8 | -25.9 | 0 | 0 | 0 | 111.5 | K297 T298 L303 A304 D305 | K297-D301 WeakPolarHBondContact O-CB 3.35Å; K297-D301 PolarHBondContact O-N 3.43Å; T298-D301 PolarHBondContact O-N 2.85Å; D301-L303 PolarHBondContact O-N 3.02Å; D301-A304 PolarHBondContact O-N 3.34Å; D301-D305 PolarHBondContact O-N 3.06Å |
| 302 | T | 87.9 | Confident | 86.5 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 44% | 0.442 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 176.7 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | T298 L299 A306 | T298-T302 VanDerWaalsContact O-CG2 3.3Å; T298-T302 WeakPolarHBondContact O-CG2 3.47Å; T298-T302 PolarHBondContact O-N 2.97Å; T298-T302 PolarHBondContact O-OG1 3.39Å; L299-T302 VanDerWaalsContact CA-OG1 3.3Å; L299-T302 WeakPolarHBondContact CA-OG1 3.26Å; L299-T302 PolarHBondContact O-OG1 2.69Å; T302-A306 VanDerWaalsContact O-CB 3.3Å; T302-A306 WeakPolarHBondContact O-CB 3.41Å; T302-A306 PolarHBondContact O-N 3.43Å |
| 303 | L | 90.8 | Very high | 87 | Confident | 14 Ų | 14 | 70.8 Ų | 70.8 | 7% | 0.073 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 173.2 | 178.3 | 65.2 | 0 | 0 | 0 | 111.2 | L299 E300 D301 D305 A306 Q307 V868 A871 Q872 L875 | L299-L303 WeakPolarHBondContact O-CB 3.49Å; L299-L303 PolarHBondContact O-N 3.4Å; E300-L303 PolarHBondContact O-N 3.07Å; D301-L303 PolarHBondContact O-N 3.02Å; L303-D305 VanDerWaalsContact C-N 3.34Å; L303-D305 PolarHBondContact O-N 3.36Å; L303-A306 PolarHBondContact O-N 3.02Å; L303-Q307 HydrophobicContact CD1-CG 4.16Å; L303-Q307 HydrophobicContact CG-CG 4.41Å; L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 VanDerWaalsContact O-CG 3.27Å; L303-Q307 WeakPolarHBondContact O-CG 3.49Å; L303-Q307 PolarHBondContact O-N 2.8Å; L303-V868 HydrophobicContact CD1-CG1 4.25Å; L303-A871 HydrophobicContact CB-CB 4.45Å; L303-A871 HydrophobicContact CD1-CB 4.06Å; L303-Q872 HydrophobicContact CD1-CB 4.28Å; L303-Q872 VanDerWaalsContact CD2-OE1 3.27Å; L303-L875 HydrophobicContact CD2-CD2 3.62Å |
| 304 | A | 87.4 | Confident | 87.7 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | E300 D301 R308 | E300-A304 VanDerWaalsContact O-CB 3.31Å; E300-A304 WeakPolarHBondContact O-CB 3.31Å; E300-A304 PolarHBondContact O-N 3.05Å; D301-A304 PolarHBondContact O-N 3.34Å; A304-R308 WeakPolarHBondContact O-CB 3.49Å; A304-R308 PolarHBondContact O-N 2.95Å |
| 305 | D | 88.3 | Confident | 87.9 | Confident | 85 Ų | 85 | 69.2 Ų | 69.2 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 175.8 | -80.8 | -23.7 | 0 | 0 | 0 | 112.2 | D301 L303 Q307 R308 V309 | D301-D305 PolarHBondContact O-N 3.06Å; L303-D305 VanDerWaalsContact C-N 3.34Å; L303-D305 PolarHBondContact O-N 3.36Å; D305-Q307 PolarHBondContact O-N 2.59Å; D305-R308 PolarHBondContact O-N 3.18Å; D305-R308 IonicContact OD1-NH1 3.96Å; D305-R308 PolarHBondContact OD1-NH1 2.89Å; D305-R308 VanDerWaalsContact OD1-NH1 3.09Å; D305-V309 WeakPolarHBondContact O-CG2 3.36Å; D305-V309 PolarHBondContact O-N 2.89Å |
| 306 | A | 89.7 | Confident | 88.1 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T302 L303 R308 V309 D310 V868 | T302-A306 VanDerWaalsContact O-CB 3.3Å; T302-A306 WeakPolarHBondContact O-CB 3.41Å; T302-A306 PolarHBondContact O-N 3.43Å; L303-A306 PolarHBondContact O-N 3.02Å; A306-R308 PolarHBondContact O-N 3.35Å; A306-V309 PolarHBondContact O-N 2.79Å; A306-D310 PolarHBondContact O-N 3.4Å; A306-V868 HydrophobicContact CB-CG2 3.85Å |
| 307 | Q | 89 | Confident | 88.5 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 175.7 | -75.1 | 178.2 | -11 | 0 | 0 | 112.2 | L303 D305 D310 A311 V868 | L303-Q307 HydrophobicContact CD1-CG 4.16Å; L303-Q307 HydrophobicContact CG-CG 4.41Å; L303-Q307 WeakPolarHBondContact O-CB 3.41Å; L303-Q307 VanDerWaalsContact O-CG 3.27Å; L303-Q307 WeakPolarHBondContact O-CG 3.49Å; L303-Q307 PolarHBondContact O-N 2.8Å; D305-Q307 PolarHBondContact O-N 2.59Å; Q307-D310 PolarHBondContact O-N 3.08Å; Q307-A311 VanDerWaalsContact O-CB 3.26Å; Q307-A311 WeakPolarHBondContact O-CB 3.45Å; Q307-A311 PolarHBondContact O-N 2.65Å; Q307-V868 HydrophobicContact CG-CG1 3.93Å; Q307-V868 HydrophobicContact CG-CG2 4.31Å |
| 308 | R | 90 | Very high | 88.8 | Confident | 171 Ų | 171 | 65.2 Ų | 65.2 | 65% | 0.645 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 175.9 | -176.9 | -173.5 | -77 | 150.7 | -8 | 111.5 | A304 D305 A306 K312 | A304-R308 WeakPolarHBondContact O-CB 3.49Å; A304-R308 PolarHBondContact O-N 2.95Å; D305-R308 PolarHBondContact O-N 3.18Å; D305-R308 IonicContact OD1-NH1 3.96Å; D305-R308 PolarHBondContact OD1-NH1 2.89Å; D305-R308 VanDerWaalsContact OD1-NH1 3.09Å; A306-R308 PolarHBondContact O-N 3.35Å; R308-K312 WeakPolarHBondContact O-CB 3.39Å; R308-K312 PolarHBondContact O-N 3.49Å |
| 309 | V | 89 | Confident | 89 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 47% | 0.473 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 178.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | D305 A306 K312 S313 | D305-V309 WeakPolarHBondContact O-CG2 3.36Å; D305-V309 PolarHBondContact O-N 2.89Å; A306-V309 PolarHBondContact O-N 2.79Å; V309-K312 PolarHBondContact O-N 2.72Å; V309-S313 WeakPolarHBondContact O-CB 3.48Å; V309-S313 PolarHBondContact O-N 3.18Å; V309-S313 PolarHBondContact O-OG 3.41Å |
| 310 | D | 91.9 | Very high | 89.2 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 174.5 | -175.8 | 55.9 | 0 | 0 | 0 | 111.3 | A306 Q307 K312 S313 Q314 N864 V868 | A306-D310 PolarHBondContact O-N 3.4Å; Q307-D310 PolarHBondContact O-N 3.08Å; D310-K312 VanDerWaalsContact C-N 3.31Å; D310-K312 PolarHBondContact O-N 3.21Å; D310-S313 PolarHBondContact O-N 3.02Å; D310-S313 VanDerWaalsContact O-N 3.07Å; D310-Q314 VanDerWaalsContact O-CB 3.31Å; D310-Q314 WeakPolarHBondContact O-CB 3.32Å; D310-Q314 PolarHBondContact O-N 3.07Å; D310-N864 HydrophobicContact CB-CB 4.15Å; D310-V868 HydrophobicContact CB-CG2 4.09Å |
| 311 | A | 87.3 | Confident | 89.5 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q307 S315 | Q307-A311 VanDerWaalsContact O-CB 3.26Å; Q307-A311 WeakPolarHBondContact O-CB 3.45Å; Q307-A311 PolarHBondContact O-N 2.65Å; A311-S315 WeakPolarHBondContact O-CB 3.41Å; A311-S315 PolarHBondContact O-N 3.3Å; A311-S315 PolarHBondContact O-OG 3.43Å |
| 312 | K | 88.9 | Confident | 89.7 | Confident | 166 Ų | 166 | 68.6 Ų | 68.6 | 72% | 0.722 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.3 | -42.7 | 175.2 | -173 | 179.6 | 179 | -175.9 | 0 | 111.8 | R308 V309 D310 A316 | R308-K312 WeakPolarHBondContact O-CB 3.39Å; R308-K312 PolarHBondContact O-N 3.49Å; V309-K312 PolarHBondContact O-N 2.72Å; D310-K312 VanDerWaalsContact C-N 3.31Å; D310-K312 PolarHBondContact O-N 3.21Å; K312-A316 PolarHBondContact O-N 2.84Å; K312-A316 VanDerWaalsContact O-N 3.12Å |
| 313 | S | 88.9 | Confident | 89.8 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 179.9 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | V309 D310 A316 L317 N864 | V309-S313 WeakPolarHBondContact O-CB 3.48Å; V309-S313 PolarHBondContact O-N 3.18Å; V309-S313 PolarHBondContact O-OG 3.41Å; D310-S313 PolarHBondContact O-N 3.02Å; D310-S313 VanDerWaalsContact O-N 3.07Å; S313-A316 PolarHBondContact O-N 3.34Å; S313-L317 WeakPolarHBondContact O-CB 3.42Å; S313-L317 PolarHBondContact O-N 3.3Å; S313-N864 PolarHBondContact OG-ND2 3.15Å |
| 314 | Q | 90.6 | Very high | 89.9 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 20% | 0.201 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175 | -175.9 | 65.2 | 63.9 | 0 | 0 | 111.1 | D310 A316 L317 D318 | D310-Q314 VanDerWaalsContact O-CB 3.31Å; D310-Q314 WeakPolarHBondContact O-CB 3.32Å; D310-Q314 PolarHBondContact O-N 3.07Å; Q314-A316 VanDerWaalsContact C-N 3.32Å; Q314-A316 PolarHBondContact O-N 2.82Å; Q314-L317 WeakPolarHBondContact O-CB 3.28Å; Q314-L317 PolarHBondContact O-N 2.87Å; Q314-D318 PolarHBondContact NE2-OD1 3.15Å; Q314-D318 PolarHBondContact NE2-OD2 2.81Å; Q314-D318 PolarHBondContact O-N 3.35Å |
| 315 | S | 88.4 | Confident | 90.2 | Very high | 77 Ų | 77 | 72.9 Ų | 72.9 | 54% | 0.538 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | A311 D318 L319 | A311-S315 WeakPolarHBondContact O-CB 3.41Å; A311-S315 PolarHBondContact O-N 3.3Å; A311-S315 PolarHBondContact O-OG 3.43Å; S315-D318 PolarHBondContact O-N 2.93Å; S315-L319 PolarHBondContact O-N 3.37Å |
| 316 | A | 87.4 | Confident | 90.3 | Very high | 39 Ų | 39 | 72.8 Ų | 72.8 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K312 S313 Q314 K320 M857 | K312-A316 PolarHBondContact O-N 2.84Å; K312-A316 VanDerWaalsContact O-N 3.12Å; S313-A316 PolarHBondContact O-N 3.34Å; Q314-A316 VanDerWaalsContact C-N 3.32Å; Q314-A316 PolarHBondContact O-N 2.82Å; A316-K320 WeakPolarHBondContact O-CG 3.27Å; A316-K320 PolarHBondContact O-N 3.35Å; A316-K320 VanDerWaalsContact O-N 3.14Å; A316-M857 HydrophobicContact CB-CE 3.43Å; A316-M857 VanDerWaalsContact CB-CE 3.43Å |
| 317 | L | 93 | Very high | 90.2 | Very high | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 174.1 | 178.6 | 65.7 | 0 | 0 | 0 | 111.3 | S313 Q314 K320 K321 I854 M857 A858 V861 | S313-L317 WeakPolarHBondContact O-CB 3.42Å; S313-L317 PolarHBondContact O-N 3.3Å; Q314-L317 WeakPolarHBondContact O-CB 3.28Å; Q314-L317 PolarHBondContact O-N 2.87Å; L317-K320 PolarHBondContact O-N 3.47Å; L317-K321 HydrophobicContact CG-CD 4.4Å; L317-K321 WeakPolarHBondContact O-CG 3.32Å; L317-K321 PolarHBondContact O-N 3.49Å; L317-I854 HydrophobicContact CD1-CB 4.43Å; L317-I854 HydrophobicContact CD1-CG2 3.97Å; L317-I854 WeakPolarHBondContact CD1-O 3.41Å; L317-M857 HydrophobicContact CB-CE 4.45Å; L317-M857 HydrophobicContact CD1-CB 3.88Å; L317-A858 HydrophobicContact CD1-CB 4.39Å; L317-A858 HydrophobicContact CD2-CB 4.39Å; L317-V861 HydrophobicContact CB-CG2 4.42Å; L317-V861 HydrophobicContact CD2-CB 4.42Å; L317-V861 HydrophobicContact CD2-CG2 4.07Å |
| 318 | D | 90.7 | Very high | 90.3 | Very high | 77 Ų | 77 | 72.6 Ų | 72.6 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 179.8 | -67.1 | -24.5 | 0 | 0 | 0 | 111.5 | Q314 S315 K320 K321 Q322 | Q314-D318 PolarHBondContact NE2-OD1 3.15Å; Q314-D318 PolarHBondContact NE2-OD2 2.81Å; Q314-D318 PolarHBondContact O-N 3.35Å; S315-D318 PolarHBondContact O-N 2.93Å; D318-K320 VanDerWaalsContact C-N 3.34Å; D318-K320 PolarHBondContact O-N 3.34Å; D318-K321 PolarHBondContact O-N 3.08Å; D318-Q322 WeakPolarHBondContact O-CB 3.43Å; D318-Q322 PolarHBondContact O-N 3.06Å |
| 319 | L | 90.4 | Very high | 90.4 | Very high | 108 Ų | 108 | 70.4 Ų | 70.4 | 57% | 0.565 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.1 | -43.5 | 172.1 | -177 | 66.1 | 0 | 0 | 0 | 111.6 | S315 Q322 N323 | S315-L319 PolarHBondContact O-N 3.37Å; L319-Q322 WeakPolarHBondContact O-CB 3.46Å; L319-Q322 PolarHBondContact O-N 3.47Å; L319-N323 PolarHBondContact O-N 3.38Å; L319-N323 PolarHBondContact O-OD1 3.31Å |
| 320 | K | 90.8 | Very high | 90.4 | Very high | 59 Ų | 59 | 71.5 Ų | 71.5 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.2 | -40.1 | 178.3 | -73.8 | -73.7 | -179.5 | 168.3 | 0 | 112.6 | A316 L317 D318 Q322 N323 L324 I854 M857 | A316-K320 WeakPolarHBondContact O-CG 3.27Å; A316-K320 PolarHBondContact O-N 3.35Å; A316-K320 VanDerWaalsContact O-N 3.14Å; L317-K320 PolarHBondContact O-N 3.47Å; D318-K320 VanDerWaalsContact C-N 3.34Å; D318-K320 PolarHBondContact O-N 3.34Å; K320-Q322 VanDerWaalsContact C-N 3.27Å; K320-Q322 PolarHBondContact O-N 3.23Å; K320-N323 PolarHBondContact O-N 3.25Å; K320-L324 PolarHBondContact O-N 2.95Å; K320-I854 HydrophobicContact CB-CD1 4.49Å; K320-I854 HydrophobicContact CB-CG1 3.87Å; K320-M857 HydrophobicContact CG-SD 4.03Å |
| 321 | K | 91.8 | Very high | 90.4 | Very high | 91 Ų | 91 | 74.4 Ų | 74.4 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.3 | -36.7 | 171.9 | -75.4 | 179.2 | 177.5 | 178.3 | 0 | 112.1 | L317 D318 L324 K325 I854 | L317-K321 HydrophobicContact CG-CD 4.4Å; L317-K321 WeakPolarHBondContact O-CG 3.32Å; L317-K321 PolarHBondContact O-N 3.49Å; D318-K321 PolarHBondContact O-N 3.08Å; K321-L324 PolarHBondContact O-N 3.49Å; K321-K325 PolarHBondContact O-N 3.43Å; K321-K325 VanDerWaalsContact O-N 3.08Å; K321-I854 HydrophobicContact CG-CD1 4.06Å; K321-I854 HydrophobicContact CG-CG1 4.33Å; K321-I854 HydrophobicContact CG-CG2 4.21Å |
| 322 | Q | 91.6 | Very high | 90.7 | Very high | 92 Ų | 92 | 79.5 Ų | 79.5 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 174.2 | -171.6 | 60.7 | 33.7 | 0 | 0 | 111.1 | D318 L319 K320 L324 K325 D326 | D318-Q322 WeakPolarHBondContact O-CB 3.43Å; D318-Q322 PolarHBondContact O-N 3.06Å; L319-Q322 WeakPolarHBondContact O-CB 3.46Å; L319-Q322 PolarHBondContact O-N 3.47Å; K320-Q322 VanDerWaalsContact C-N 3.27Å; K320-Q322 PolarHBondContact O-N 3.23Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 2.89Å; Q322-K325 WeakPolarHBondContact O-CB 3.5Å; Q322-K325 PolarHBondContact O-N 2.96Å; Q322-D326 PolarHBondContact NE2-OD1 2.94Å; Q322-D326 PolarHBondContact O-N 2.97Å |
| 323 | N | 90.1 | Very high | 90.8 | Very high | 61 Ų | 61 | 76.6 Ų | 76.6 | 33% | 0.326 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 175.3 | -66.9 | -0.1 | 0 | 0 | 0 | 112.3 | L319 K320 K325 D326 E327 | L319-N323 PolarHBondContact O-N 3.38Å; L319-N323 PolarHBondContact O-OD1 3.31Å; K320-N323 PolarHBondContact O-N 3.25Å; N323-K325 VanDerWaalsContact C-N 3.34Å; N323-K325 PolarHBondContact O-N 3.24Å; N323-D326 PolarHBondContact O-N 3.33Å; N323-E327 PolarHBondContact O-N 3.32Å |
| 324 | L | 93.3 | Very high | 90.9 | Very high | 27 Ų | 27 | 76.3 Ų | 76.3 | 14% | 0.141 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 174.6 | -172.3 | 78.1 | 0 | 0 | 0 | 111.8 | K320 K321 Q322 D326 T328 T847 I850 Q851 I854 | K320-L324 PolarHBondContact O-N 2.95Å; K321-L324 PolarHBondContact O-N 3.49Å; Q322-L324 VanDerWaalsContact C-N 3.29Å; Q322-L324 PolarHBondContact O-N 2.89Å; L324-D326 VanDerWaalsContact C-N 3.32Å; L324-D326 PolarHBondContact O-N 2.96Å; L324-T328 WeakPolarHBondContact O-CB 3.49Å; L324-T328 VanDerWaalsContact O-CG2 3.29Å; L324-T328 WeakPolarHBondContact O-CG2 3.43Å; L324-T328 PolarHBondContact O-N 3.5Å; L324-T328 PolarHBondContact O-OG1 3.15Å; L324-T847 HydrophobicContact CD1-CG2 3.54Å; L324-T847 WeakPolarHBondContact CD1-O 3.43Å; L324-I850 HydrophobicContact CB-CG2 3.88Å; L324-I850 HydrophobicContact CD1-CB 4.13Å; L324-I850 HydrophobicContact CD1-CG2 3.91Å; L324-Q851 HydrophobicContact CD1-CB 4.48Å; L324-I854 HydrophobicContact CB-CD1 3.84Å; L324-I854 HydrophobicContact CD2-CD1 3.78Å; L324-I854 HydrophobicContact CG-CD1 4.28Å |
| 325 | K | 92.7 | Very high | 90.9 | Very high | 135 Ų | 135 | 76 Ų | 76 | 59% | 0.587 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.5 | -40.1 | 174.8 | -78.6 | -178.7 | 177.8 | 178.7 | 0 | 112 | K321 Q322 N323 T328 K329 | K321-K325 PolarHBondContact O-N 3.43Å; K321-K325 VanDerWaalsContact O-N 3.08Å; Q322-K325 WeakPolarHBondContact O-CB 3.5Å; Q322-K325 PolarHBondContact O-N 2.96Å; N323-K325 VanDerWaalsContact C-N 3.34Å; N323-K325 PolarHBondContact O-N 3.24Å; K325-T328 WeakPolarHBondContact CA-OG1 3.31Å; K325-T328 PolarHBondContact O-OG1 3.37Å; K325-K329 WeakPolarHBondContact O-CB 3.41Å; K325-K329 PolarHBondContact O-N 2.81Å |
| 326 | D | 89.9 | Confident | 91.1 | Very high | 83 Ų | 83 | 78.3 Ų | 78.3 | 44% | 0.444 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69 | -44.2 | -179.3 | -63.7 | -20.8 | 0 | 0 | 0 | 111 | Q322 N323 L324 K329 K330 | Q322-D326 PolarHBondContact NE2-OD1 2.94Å; Q322-D326 PolarHBondContact O-N 2.97Å; N323-D326 PolarHBondContact O-N 3.33Å; L324-D326 VanDerWaalsContact C-N 3.32Å; L324-D326 PolarHBondContact O-N 2.96Å; D326-K329 PolarHBondContact O-N 3.37Å; D326-K330 PolarHBondContact O-N 3.1Å |
| 327 | E | 89.1 | Confident | 91.2 | Very high | 54 Ų | 54 | 78.5 Ų | 78.5 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 175.7 | -72.4 | -59.3 | 157.1 | 0 | 0 | 112.7 | N323 K329 K330 R331 V843 I850 | N323-E327 PolarHBondContact O-N 3.32Å; E327-K329 VanDerWaalsContact C-N 3.29Å; E327-K329 PolarHBondContact O-N 3.07Å; E327-K330 WeakPolarHBondContact O-CB 3.48Å; E327-K330 PolarHBondContact O-N 3.41Å; E327-R331 PolarHBondContact O-N 2.9Å; E327-V843 HydrophobicContact CB-CG1 4.5Å; E327-I850 HydrophobicContact CG-CD1 4.15Å |
| 328 | T | 90.6 | Very high | 91.2 | Very high | 51 Ų | 51 | 79.6 Ų | 79.6 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.3 | -31.6 | 175 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | L324 K325 K332 T847 | L324-T328 WeakPolarHBondContact O-CB 3.49Å; L324-T328 VanDerWaalsContact O-CG2 3.29Å; L324-T328 WeakPolarHBondContact O-CG2 3.43Å; L324-T328 PolarHBondContact O-N 3.5Å; L324-T328 PolarHBondContact O-OG1 3.15Å; K325-T328 WeakPolarHBondContact CA-OG1 3.31Å; K325-T328 PolarHBondContact O-OG1 3.37Å; T328-K332 WeakPolarHBondContact O-CG 3.41Å; T328-K332 PolarHBondContact O-N 3.32Å; T328-K332 VanDerWaalsContact O-N 3.16Å; T328-T847 HydrophobicContact CG2-CG2 3.88Å |
| 329 | K | 92.1 | Very high | 91.2 | Very high | 125 Ų | 125 | 81 Ų | 81 | 54% | 0.543 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.9 | -46.5 | 171.9 | -171 | -174.7 | 177.9 | -160 | 0 | 111 | K325 D326 E327 R331 K332 E333 | K325-K329 WeakPolarHBondContact O-CB 3.41Å; K325-K329 PolarHBondContact O-N 2.81Å; D326-K329 PolarHBondContact O-N 3.37Å; E327-K329 VanDerWaalsContact C-N 3.29Å; E327-K329 PolarHBondContact O-N 3.07Å; K329-R331 VanDerWaalsContact C-N 3.3Å; K329-R331 PolarHBondContact O-N 3.29Å; K329-K332 WeakPolarHBondContact O-CB 3.3Å; K329-K332 PolarHBondContact O-N 3.35Å; K329-K332 VanDerWaalsContact O-N 3.08Å; K329-E333 VanDerWaalsContact CE-OE1 3.23Å; K329-E333 WeakPolarHBondContact CE-OE1 3.28Å; K329-E333 IonicContact NZ-OE1 3.09Å; K329-E333 PolarHBondContact O-N 3.27Å |
| 330 | K | 89 | Confident | 91.1 | Very high | 102 Ų | 102 | 80.5 Ų | 80.5 | 44% | 0.443 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.4 | -43.1 | 175.4 | -173.7 | -178 | 176.9 | -170.3 | 0 | 111.7 | D326 E327 K332 E333 L334 V843 | D326-K330 PolarHBondContact O-N 3.1Å; E327-K330 WeakPolarHBondContact O-CB 3.48Å; E327-K330 PolarHBondContact O-N 3.41Å; K330-K332 PolarHBondContact O-N 3.5Å; K330-E333 PolarHBondContact O-N 3.31Å; K330-L334 HydrophobicContact CG-CD1 4.33Å; K330-L334 WeakPolarHBondContact O-CG 3.01Å; K330-L334 PolarHBondContact O-N 3.42Å; K330-V843 HydrophobicContact CD-CG2 4.47Å |
| 331 | R | 92.9 | Very high | 91 | Very high | 88 Ų | 88 | 79.1 Ų | 79.1 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.2 | -46.4 | 173 | -170.2 | -169.1 | -175.2 | -89.6 | 1.8 | 112.2 | E327 K329 E333 L334 V335 V843 D844 | E327-R331 PolarHBondContact O-N 2.9Å; K329-R331 VanDerWaalsContact C-N 3.3Å; K329-R331 PolarHBondContact O-N 3.29Å; R331-E333 VanDerWaalsContact C-N 3.33Å; R331-E333 PolarHBondContact O-N 2.78Å; R331-L334 PolarHBondContact O-N 3.3Å; R331-V335 HydrophobicContact CG-CG2 4.45Å; R331-V335 WeakPolarHBondContact O-CB 3.23Å; R331-V335 VanDerWaalsContact O-CG2 3.26Å; R331-V335 WeakPolarHBondContact O-CG2 3.33Å; R331-V335 PolarHBondContact O-N 3.05Å; R331-V843 HydrophobicContact CB-CG1 3.84Å; R331-V843 HydrophobicContact CG-CG1 4.4Å; R331-D844 WeakPolarHBondContact CD-OD1 3.24Å; R331-D844 IonicContact CZ-OD1 2.8Å; R331-D844 IonicContact CZ-OD2 3.79Å; R331-D844 VanDerWaalsContact NE-CG 3.27Å; R331-D844 IonicContact NE-OD1 3.6Å; R331-D844 PolarHBondContact NE-OD1 2.94Å; R331-D844 IonicContact NE-OD2 2.9Å; R331-D844 PolarHBondContact NE-OD2 3.32Å; R331-D844 IonicContact NH2-OD1 3.24Å; R331-D844 IonicContact NH2-OD2 2.77Å; R331-D844 PolarHBondContact NH2-OD2 2.97Å |
| 332 | K | 91.9 | Very high | 90.8 | Very high | 158 Ų | 158 | 79.9 Ų | 79.9 | 69% | 0.687 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.8 | -39.9 | 178.6 | -75.7 | 179.1 | -179.2 | -178.2 | 0 | 112.1 | T328 K329 K330 K336 | T328-K332 WeakPolarHBondContact O-CG 3.41Å; T328-K332 PolarHBondContact O-N 3.32Å; T328-K332 VanDerWaalsContact O-N 3.16Å; K329-K332 WeakPolarHBondContact O-CB 3.3Å; K329-K332 PolarHBondContact O-N 3.35Å; K329-K332 VanDerWaalsContact O-N 3.08Å; K330-K332 PolarHBondContact O-N 3.5Å; K332-K336 WeakPolarHBondContact O-CB 3.33Å; K332-K336 PolarHBondContact O-N 2.93Å |
| 333 | E | 91.3 | Very high | 90.7 | Very high | 105 Ų | 105 | 82.2 Ų | 82.2 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.1 | -46.8 | 176 | -71 | 171.6 | -177.2 | 0 | 0 | 111 | K329 K330 R331 V335 K336 S337 | K329-E333 VanDerWaalsContact CE-OE1 3.23Å; K329-E333 WeakPolarHBondContact CE-OE1 3.28Å; K329-E333 IonicContact NZ-OE1 3.09Å; K329-E333 PolarHBondContact O-N 3.27Å; K330-E333 PolarHBondContact O-N 3.31Å; R331-E333 VanDerWaalsContact C-N 3.33Å; R331-E333 PolarHBondContact O-N 2.78Å; E333-V335 PolarHBondContact O-N 3.15Å; E333-K336 PolarHBondContact O-N 3.43Å; E333-S337 PolarHBondContact O-N 3.3Å; E333-S337 PolarHBondContact O-OG 3.37Å |
| 334 | L | 90.7 | Very high | 90.6 | Very high | 22 Ų | 22 | 84 Ų | 84 | 12% | 0.115 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.2 | -71.7 | 170.3 | 0 | 0 | 0 | 112.9 | K330 R331 K336 S337 M338 Y836 Q839 I840 V843 | K330-L334 HydrophobicContact CG-CD1 4.33Å; K330-L334 WeakPolarHBondContact O-CG 3.01Å; K330-L334 PolarHBondContact O-N 3.42Å; R331-L334 PolarHBondContact O-N 3.3Å; L334-K336 VanDerWaalsContact C-N 3.29Å; L334-K336 PolarHBondContact O-N 2.89Å; L334-S337 PolarHBondContact O-N 2.84Å; L334-M338 WeakPolarHBondContact O-CB 3.29Å; L334-M338 PolarHBondContact O-N 3.03Å; L334-Y836 HydrophobicContact CD2-CD1 4.06Å; L334-Y836 HydrophobicContact CD2-CE1 4.28Å; L334-Q839 HydrophobicContact CD1-CB 4.23Å; L334-I840 HydrophobicContact CB-CD1 4.47Å; L334-I840 HydrophobicContact CB-CG1 3.94Å; L334-V843 HydrophobicContact CD1-CG2 4.17Å |
| 335 | V | 91.9 | Very high | 90.3 | Very high | 37 Ų | 37 | 83.1 Ų | 83.1 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 176.8 | 169.9 | 0 | 0 | 0 | 0 | 111 | R331 E333 M338 E339 I840 | R331-V335 HydrophobicContact CG-CG2 4.45Å; R331-V335 WeakPolarHBondContact O-CB 3.23Å; R331-V335 VanDerWaalsContact O-CG2 3.26Å; R331-V335 WeakPolarHBondContact O-CG2 3.33Å; R331-V335 PolarHBondContact O-N 3.05Å; E333-V335 PolarHBondContact O-N 3.15Å; V335-M338 PolarHBondContact O-N 3.09Å; V335-E339 PolarHBondContact O-N 2.93Å; V335-I840 HydrophobicContact CG2-CD1 3.78Å; V335-I840 HydrophobicContact CG2-CG1 4.25Å |
| 336 | K | 92.5 | Very high | 90.2 | Very high | 125 Ų | 125 | 79.8 Ų | 79.8 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 178.3 | -171.3 | -174.5 | 175.3 | -157.3 | 0 | 111.6 | K332 E333 L334 E339 E340 | K332-K336 WeakPolarHBondContact O-CB 3.33Å; K332-K336 PolarHBondContact O-N 2.93Å; E333-K336 PolarHBondContact O-N 3.43Å; L334-K336 VanDerWaalsContact C-N 3.29Å; L334-K336 PolarHBondContact O-N 2.89Å; K336-E339 PolarHBondContact O-N 3.49Å; K336-E340 WeakPolarHBondContact CE-OE1 3.47Å; K336-E340 IonicContact NZ-OE1 3Å; K336-E340 WeakPolarHBondContact O-CG 3.38Å; K336-E340 PolarHBondContact O-N 3.17Å |
| 337 | S | 89.4 | Confident | 90.1 | Very high | 43 Ų | 43 | 79.8 Ų | 79.8 | 30% | 0.301 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 174.8 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | E333 L334 E339 E340 D341 | E333-S337 PolarHBondContact O-N 3.3Å; E333-S337 PolarHBondContact O-OG 3.37Å; L334-S337 PolarHBondContact O-N 2.84Å; S337-E339 VanDerWaalsContact C-N 3.31Å; S337-E339 PolarHBondContact O-N 3.34Å; S337-E340 PolarHBondContact O-N 2.81Å; S337-E340 VanDerWaalsContact O-N 3.1Å; S337-D341 PolarHBondContact O-N 2.9Å |
| 338 | M | 92.3 | Very high | 90 | Very high | 29 Ų | 29 | 79.1 Ų | 79.1 | 14% | 0.143 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.6 | -39.9 | 175.6 | -173.1 | -163.4 | 72.4 | 0 | 0 | 112.4 | L334 V335 K342 Q833 Y836 E837 I840 | L334-M338 WeakPolarHBondContact O-CB 3.29Å; L334-M338 PolarHBondContact O-N 3.03Å; V335-M338 PolarHBondContact O-N 3.09Å; M338-K342 WeakPolarHBondContact O-CB 3.49Å; M338-K342 PolarHBondContact O-N 3.08Å; M338-Q833 HydrophobicContact CG-CG 4.24Å; M338-Y836 HydrophobicContact CB-CD2 4.44Å; M338-Y836 HydrophobicContact CB-CG 4.29Å; M338-E837 HydrophobicContact SD-CG 4.14Å; M338-I840 HydrophobicContact SD-CD1 3.84Å |
| 339 | E | 89.9 | Confident | 89.8 | Confident | 107 Ų | 107 | 80.9 Ų | 80.9 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.7 | -35.3 | 175.6 | -85.7 | -175.1 | 161.3 | 0 | 0 | 113.3 | V335 K336 S337 K343 | V335-E339 PolarHBondContact O-N 2.93Å; K336-E339 PolarHBondContact O-N 3.49Å; S337-E339 VanDerWaalsContact C-N 3.31Å; S337-E339 PolarHBondContact O-N 3.34Å; E339-K343 VanDerWaalsContact O-CG 3.3Å; E339-K343 WeakPolarHBondContact O-CG 3.24Å; E339-K343 PolarHBondContact O-N 3.38Å; E339-K343 VanDerWaalsContact O-N 3.14Å |
| 340 | E | 89.7 | Confident | 89.5 | Confident | 97 Ų | 97 | 81.9 Ų | 81.9 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 175.6 | -73.3 | 172.9 | -178.8 | 0 | 0 | 110.6 | K336 S337 K343 M344 | K336-E340 WeakPolarHBondContact CE-OE1 3.47Å; K336-E340 IonicContact NZ-OE1 3Å; K336-E340 WeakPolarHBondContact O-CG 3.38Å; K336-E340 PolarHBondContact O-N 3.17Å; S337-E340 PolarHBondContact O-N 2.81Å; S337-E340 VanDerWaalsContact O-N 3.1Å; E340-K343 WeakPolarHBondContact O-CB 3.34Å; E340-K343 PolarHBondContact O-N 3.34Å; E340-M344 PolarHBondContact O-N 3.49Å; E340-M344 VanDerWaalsContact O-N 3.09Å |
| 341 | D | 87.5 | Confident | 89.3 | Confident | 29 Ų | 29 | 81 Ų | 81 | 16% | 0.155 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.4 | -36.5 | 178.9 | -63.3 | -24.2 | 0 | 0 | 0 | 111.8 | S337 K343 M344 L345 Y836 | S337-D341 PolarHBondContact O-N 2.9Å; D341-K343 VanDerWaalsContact C-N 3.29Å; D341-K343 PolarHBondContact O-N 3.36Å; D341-M344 CarbonylContact O-C 3.56Å; D341-M344 WeakPolarHBondContact O-CB 3.46Å; D341-M344 PolarHBondContact O-N 3.37Å; D341-M344 VanDerWaalsContact O-N 3.09Å; D341-L345 WeakPolarHBondContact O-CB 3.46Å; D341-L345 PolarHBondContact O-N 2.87Å; D341-Y836 WeakPolarHBondContact OD2-CE2 3.43Å |
| 342 | K | 89.1 | Confident | 89 | Confident | 108 Ų | 108 | 78.7 Ų | 78.7 | 47% | 0.47 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 173 | -171.6 | 172.9 | -173.3 | 170.9 | 0 | 112.3 | M338 V346 | M338-K342 WeakPolarHBondContact O-CB 3.49Å; M338-K342 PolarHBondContact O-N 3.08Å; K342-V346 WeakPolarHBondContact O-CG2 3.08Å; K342-V346 PolarHBondContact O-N 3.49Å |
| 343 | K | 89.4 | Confident | 88.6 | Confident | 140 Ų | 140 | 74.3 Ų | 74.3 | 61% | 0.609 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 172.6 | -73.7 | 167.2 | -173.2 | 166.5 | 0 | 111.1 | E339 E340 D341 L345 V346 V347 | E339-K343 VanDerWaalsContact O-CG 3.3Å; E339-K343 WeakPolarHBondContact O-CG 3.24Å; E339-K343 PolarHBondContact O-N 3.38Å; E339-K343 VanDerWaalsContact O-N 3.14Å; E340-K343 WeakPolarHBondContact O-CB 3.34Å; E340-K343 PolarHBondContact O-N 3.34Å; D341-K343 VanDerWaalsContact C-N 3.29Å; D341-K343 PolarHBondContact O-N 3.36Å; K343-L345 VanDerWaalsContact C-N 3.34Å; K343-V346 PolarHBondContact O-N 2.93Å; K343-V347 WeakPolarHBondContact O-CG2 3.39Å; K343-V347 PolarHBondContact O-N 3.04Å; K343-V347 VanDerWaalsContact O-N 3.16Å |
| 344 | M | 86.5 | Confident | 88.3 | Confident | 98 Ų | 98 | 75.5 Ų | 75.5 | 48% | 0.483 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 177.3 | -165.7 | 177.8 | -60.8 | 0 | 0 | 111.7 | E340 D341 V346 V347 K348 L829 | E340-M344 PolarHBondContact O-N 3.49Å; E340-M344 VanDerWaalsContact O-N 3.09Å; D341-M344 CarbonylContact O-C 3.56Å; D341-M344 WeakPolarHBondContact O-CB 3.46Å; D341-M344 PolarHBondContact O-N 3.37Å; D341-M344 VanDerWaalsContact O-N 3.09Å; M344-V346 PolarHBondContact O-N 3.46Å; M344-V347 WeakPolarHBondContact O-CB 3.44Å; M344-V347 PolarHBondContact O-N 3.18Å; M344-V347 VanDerWaalsContact O-N 3.1Å; M344-K348 WeakPolarHBondContact O-CG 3.32Å; M344-K348 PolarHBondContact O-N 3.37Å; M344-L829 HydrophobicContact CG-CD1 4.28Å; M344-L829 HydrophobicContact SD-CD1 4.39Å; M344-L829 HydrophobicContact SD-CD2 4.42Å |
| 345 | L | 88.8 | Confident | 88.1 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 175.8 | -168 | 155.5 | 0 | 0 | 0 | 111.4 | D341 K343 V347 K348 E349 L829 Q830 | D341-L345 WeakPolarHBondContact O-CB 3.46Å; D341-L345 PolarHBondContact O-N 2.87Å; K343-L345 VanDerWaalsContact C-N 3.34Å; L345-V347 VanDerWaalsContact C-N 3.3Å; L345-V347 PolarHBondContact O-N 3.31Å; L345-K348 PolarHBondContact O-N 2.91Å; L345-E349 HydrophobicContact CD2-CG 4.02Å; L345-E349 WeakPolarHBondContact CD2-OE1 3.29Å; L345-E349 WeakPolarHBondContact O-CB 3.44Å; L345-E349 WeakPolarHBondContact O-CG 3.22Å; L345-E349 PolarHBondContact O-N 3.4Å; L345-L829 HydrophobicContact CD1-CB 4.35Å; L345-Q830 HydrophobicContact CD1-CB 4.5Å; L345-Q830 HydrophobicContact CD1-CG 3.71Å; L345-Q830 HydrophobicContact CG-CG 4.44Å |
| 346 | V | 88.8 | Confident | 87.6 | Confident | 64 Ų | 64 | 76.3 Ų | 76.3 | 39% | 0.388 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63 | -35.3 | 175.4 | 172.3 | 0 | 0 | 0 | 0 | 112.4 | K342 K343 M344 K350 | K342-V346 WeakPolarHBondContact O-CG2 3.08Å; K342-V346 PolarHBondContact O-N 3.49Å; K343-V346 PolarHBondContact O-N 2.93Å; M344-V346 PolarHBondContact O-N 3.46Å; V346-K350 WeakPolarHBondContact O-CG 3.25Å; V346-K350 PolarHBondContact O-N 3.02Å |
| 347 | V | 89.7 | Confident | 87.1 | Confident | 83 Ų | 83 | 76.7 Ų | 76.7 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | K343 M344 L345 K350 E351 | K343-V347 WeakPolarHBondContact O-CG2 3.39Å; K343-V347 PolarHBondContact O-N 3.04Å; K343-V347 VanDerWaalsContact O-N 3.16Å; M344-V347 WeakPolarHBondContact O-CB 3.44Å; M344-V347 PolarHBondContact O-N 3.18Å; M344-V347 VanDerWaalsContact O-N 3.1Å; L345-V347 VanDerWaalsContact C-N 3.3Å; L345-V347 PolarHBondContact O-N 3.31Å; V347-K350 WeakPolarHBondContact O-CB 3.44Å; V347-K350 PolarHBondContact O-N 2.78Å; V347-E351 PolarHBondContact O-N 3.42Å |
| 348 | K | 86.3 | Confident | 86.8 | Confident | 40 Ų | 40 | 78.2 Ų | 78.2 | 17% | 0.174 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 179.2 | -71.6 | -76.2 | 173.1 | 178.5 | 0 | 112.7 | M344 L345 K350 E351 V352 V822 E825 L826 L829 | M344-K348 WeakPolarHBondContact O-CG 3.32Å; M344-K348 PolarHBondContact O-N 3.37Å; L345-K348 PolarHBondContact O-N 2.91Å; K348-K350 VanDerWaalsContact C-N 3.28Å; K348-K350 PolarHBondContact O-N 3.45Å; K348-E351 WeakPolarHBondContact CD-OE2 3.49Å; K348-E351 IonicContact NZ-OE2 2.7Å; K348-E351 PolarHBondContact NZ-OE2 3.18Å; K348-E351 WeakPolarHBondContact O-CB 3.33Å; K348-E351 PolarHBondContact O-N 3.28Å; K348-E351 VanDerWaalsContact O-N 3.08Å; K348-V352 WeakPolarHBondContact O-CG2 3.41Å; K348-V352 PolarHBondContact O-N 2.73Å; K348-V822 HydrophobicContact CD-CG1 4.01Å; K348-E825 WeakPolarHBondContact CE-OE2 3.46Å; K348-E825 IonicContact NZ-OE2 2.81Å; K348-E825 PolarHBondContact NZ-OE2 2.97Å; K348-L826 HydrophobicContact CB-CD1 4.32Å; K348-L829 HydrophobicContact CG-CD1 4.19Å |
| 349 | E | 86.1 | Confident | 86.4 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 41% | 0.411 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.2 | -41.4 | 171.7 | -81.2 | 178.9 | 162.5 | 0 | 0 | 111.8 | L345 V352 S353 L826 | L345-E349 HydrophobicContact CD2-CG 4.02Å; L345-E349 WeakPolarHBondContact CD2-OE1 3.29Å; L345-E349 WeakPolarHBondContact O-CB 3.44Å; L345-E349 WeakPolarHBondContact O-CG 3.22Å; L345-E349 PolarHBondContact O-N 3.4Å; E349-V352 PolarHBondContact O-N 3.46Å; E349-S353 WeakPolarHBondContact O-CB 3.24Å; E349-S353 PolarHBondContact O-N 3.42Å; E349-L826 HydrophobicContact CB-CD1 4.28Å; E349-L826 HydrophobicContact CG-CD1 3.68Å; E349-L826 HydrophobicContact CG-CG 4.46Å |
| 350 | K | 86.4 | Confident | 86 | Confident | 147 Ų | 147 | 80.8 Ų | 80.8 | 64% | 0.639 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68 | -37.1 | 174.4 | -72.8 | 177.6 | -180 | 178.9 | 0 | 112.5 | V346 V347 K348 S353 K354 | V346-K350 WeakPolarHBondContact O-CG 3.25Å; V346-K350 PolarHBondContact O-N 3.02Å; V347-K350 WeakPolarHBondContact O-CB 3.44Å; V347-K350 PolarHBondContact O-N 2.78Å; K348-K350 VanDerWaalsContact C-N 3.28Å; K348-K350 PolarHBondContact O-N 3.45Å; K350-S353 PolarHBondContact O-N 3.05Å; K350-K354 WeakPolarHBondContact O-CB 3.38Å; K350-K354 PolarHBondContact O-N 2.92Å |
| 351 | E | 85.2 | Confident | 85.7 | Confident | 83 Ų | 83 | 78.8 Ų | 78.8 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 174.2 | -74.6 | -171.6 | 156.4 | 0 | 0 | 111.7 | V347 K348 K354 L355 V822 | V347-E351 PolarHBondContact O-N 3.42Å; K348-E351 WeakPolarHBondContact CD-OE2 3.49Å; K348-E351 IonicContact NZ-OE2 2.7Å; K348-E351 PolarHBondContact NZ-OE2 3.18Å; K348-E351 WeakPolarHBondContact O-CB 3.33Å; K348-E351 PolarHBondContact O-N 3.28Å; K348-E351 VanDerWaalsContact O-N 3.08Å; E351-K354 PolarHBondContact O-N 3.45Å; E351-L355 WeakPolarHBondContact O-CB 3.43Å; E351-L355 WeakPolarHBondContact O-CG 3.37Å; E351-L355 PolarHBondContact O-N 3.17Å; E351-V822 HydrophobicContact CB-CG1 4.33Å |
| 352 | V | 85.5 | Confident | 85.4 | Confident | 39 Ų | 39 | 78.8 Ų | 78.8 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 175.7 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | K348 E349 K354 L355 A356 V822 L826 | K348-V352 WeakPolarHBondContact O-CG2 3.41Å; K348-V352 PolarHBondContact O-N 2.73Å; E349-V352 PolarHBondContact O-N 3.46Å; V352-K354 PolarHBondContact O-N 3.39Å; V352-L355 PolarHBondContact O-N 3.45Å; V352-A356 VanDerWaalsContact O-CB 3.27Å; V352-A356 WeakPolarHBondContact O-CB 3.35Å; V352-A356 PolarHBondContact O-N 2.93Å; V352-V822 HydrophobicContact CG2-CB 4.29Å; V352-V822 HydrophobicContact CG2-CG1 3.6Å; V352-L826 HydrophobicContact CB-CD1 4.5Å; V352-L826 HydrophobicContact CG2-CD1 3.85Å |
| 353 | S | 83.4 | Confident | 84.9 | Confident | 67 Ų | 67 | 78 Ų | 78 | 47% | 0.469 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 175.3 | 158.6 | 0 | 0 | 0 | 0 | 112.1 | E349 K350 A356 E357 | E349-S353 WeakPolarHBondContact O-CB 3.24Å; E349-S353 PolarHBondContact O-N 3.42Å; K350-S353 PolarHBondContact O-N 3.05Å; S353-A356 PolarHBondContact O-N 3.47Å; S353-E357 PolarHBondContact O-N 3.24Å |
| 354 | K | 86.1 | Confident | 84.4 | Confident | 130 Ų | 130 | 76.8 Ų | 76.8 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.7 | -39.7 | -179.7 | -168.9 | 179.9 | -177.4 | -177.8 | 0 | 112.3 | K350 E351 V352 E357 Q358 | K350-K354 WeakPolarHBondContact O-CB 3.38Å; K350-K354 PolarHBondContact O-N 2.92Å; E351-K354 PolarHBondContact O-N 3.45Å; V352-K354 PolarHBondContact O-N 3.39Å; K354-E357 PolarHBondContact O-N 2.97Å; K354-Q358 VanDerWaalsContact O-CG 3.32Å; K354-Q358 WeakPolarHBondContact O-CG 3.49Å; K354-Q358 PolarHBondContact O-N 2.72Å |
| 355 | L | 84.7 | Confident | 84 | Confident | 26 Ų | 26 | 77.8 Ų | 77.8 | 14% | 0.136 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.2 | -39.5 | 175.7 | -76.7 | 169.3 | 0 | 0 | 0 | 111.1 | E351 V352 E357 Q358 L359 V822 | E351-L355 WeakPolarHBondContact O-CB 3.43Å; E351-L355 WeakPolarHBondContact O-CG 3.37Å; E351-L355 PolarHBondContact O-N 3.17Å; V352-L355 PolarHBondContact O-N 3.45Å; L355-E357 PolarHBondContact O-N 3Å; L355-Q358 PolarHBondContact O-N 3.46Å; L355-L359 VanDerWaalsContact O-CB 3.3Å; L355-L359 WeakPolarHBondContact O-CB 3.45Å; L355-L359 PolarHBondContact O-N 3.44Å; L355-V822 HydrophobicContact CD1-CB 4.4Å; L355-V822 HydrophobicContact CD1-CG2 4.02Å |
| 356 | A | 81.7 | Confident | 83.2 | Confident | 50 Ų | 50 | 77.6 Ų | 77.6 | 41% | 0.413 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | V352 S353 L359 R360 | V352-A356 VanDerWaalsContact O-CB 3.27Å; V352-A356 WeakPolarHBondContact O-CB 3.35Å; V352-A356 PolarHBondContact O-N 2.93Å; S353-A356 PolarHBondContact O-N 3.47Å; A356-L359 PolarHBondContact O-N 3.08Å; A356-R360 WeakPolarHBondContact O-CB 3.4Å; A356-R360 PolarHBondContact O-N 3.13Å |
| 357 | E | 83.5 | Confident | 82.5 | Confident | 133 Ų | 133 | 81.4 Ų | 81.4 | 62% | 0.621 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 172.6 | -77.2 | -178.1 | 174.1 | 0 | 0 | 112.3 | S353 K354 L355 R360 A361 | S353-E357 PolarHBondContact O-N 3.24Å; K354-E357 PolarHBondContact O-N 2.97Å; L355-E357 PolarHBondContact O-N 3Å; E357-R360 PolarHBondContact O-N 3.17Å; E357-A361 WeakPolarHBondContact O-CB 3.2Å; E357-A361 PolarHBondContact O-N 2.98Å |
| 358 | Q | 82.8 | Confident | 81.8 | Confident | 75 Ų | 75 | 85 Ų | 85 | 35% | 0.35 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 176.5 | -73.9 | 177.8 | 5.7 | 0 | 0 | 112.2 | K354 L355 R360 A361 V362 | K354-Q358 VanDerWaalsContact O-CG 3.32Å; K354-Q358 WeakPolarHBondContact O-CG 3.49Å; K354-Q358 PolarHBondContact O-N 2.72Å; L355-Q358 PolarHBondContact O-N 3.46Å; Q358-R360 VanDerWaalsContact C-N 3.31Å; Q358-A361 PolarHBondContact O-N 3.4Å; Q358-V362 WeakPolarHBondContact O-CB 3.37Å; Q358-V362 WeakPolarHBondContact O-CG2 3.31Å; Q358-V362 PolarHBondContact O-N 3.41Å |
| 359 | L | 83.2 | Confident | 81.4 | Confident | 14 Ų | 14 | 85.2 Ų | 85.2 | 7% | 0.073 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 178.7 | -146.8 | 160.5 | 0 | 0 | 0 | 110.2 | L355 A356 V362 Q363 L812 | L355-L359 VanDerWaalsContact O-CB 3.3Å; L355-L359 WeakPolarHBondContact O-CB 3.45Å; L355-L359 PolarHBondContact O-N 3.44Å; A356-L359 PolarHBondContact O-N 3.08Å; L359-V362 PolarHBondContact O-N 3.09Å; L359-Q363 HydrophobicContact CD2-CG 4.22Å; L359-Q363 WeakPolarHBondContact O-CB 3.49Å; L359-Q363 WeakPolarHBondContact O-CG 3.24Å; L359-Q363 PolarHBondContact O-N 3.2Å; L359-L812 HydrophobicContact CD2-CD1 4.17Å |
| 360 | R | 82.3 | Confident | 80.8 | Confident | 175 Ų | 175 | 84.1 Ų | 84.1 | 66% | 0.66 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | 174.2 | -154.5 | 177.5 | -169.2 | 170.4 | 3.6 | 112.4 | A356 E357 Q358 V362 Q363 E364 | A356-R360 WeakPolarHBondContact O-CB 3.4Å; A356-R360 PolarHBondContact O-N 3.13Å; E357-R360 PolarHBondContact O-N 3.17Å; Q358-R360 VanDerWaalsContact C-N 3.31Å; R360-V362 VanDerWaalsContact C-N 3.35Å; R360-V362 PolarHBondContact O-N 3.43Å; R360-Q363 WeakPolarHBondContact O-CB 3.36Å; R360-Q363 PolarHBondContact O-N 2.88Å; R360-E364 PolarHBondContact O-N 2.79Å |
| 361 | A | 82.9 | Confident | 80.3 | Confident | 56 Ų | 56 | 79.6 Ų | 79.6 | 46% | 0.463 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E357 Q358 E364 E365 | E357-A361 WeakPolarHBondContact O-CB 3.2Å; E357-A361 PolarHBondContact O-N 2.98Å; Q358-A361 PolarHBondContact O-N 3.4Å; A361-E364 PolarHBondContact O-N 3.02Å; A361-E365 PolarHBondContact O-N 2.92Å |
| 362 | V | 81.8 | Confident | 79.9 | Confident | 29 Ų | 29 | 77.9 Ų | 77.9 | 18% | 0.176 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 174.2 | 169.4 | 0 | 0 | 0 | 0 | 109.6 | Q358 L359 R360 E364 E365 G366 F808 L812 | Q358-V362 WeakPolarHBondContact O-CB 3.37Å; Q358-V362 WeakPolarHBondContact O-CG2 3.31Å; Q358-V362 PolarHBondContact O-N 3.41Å; L359-V362 PolarHBondContact O-N 3.09Å; R360-V362 VanDerWaalsContact C-N 3.35Å; R360-V362 PolarHBondContact O-N 3.43Å; V362-E364 VanDerWaalsContact C-N 3.33Å; V362-E364 PolarHBondContact O-N 2.88Å; V362-E365 PolarHBondContact O-N 3.44Å; V362-G366 PolarHBondContact O-N 3.13Å; V362-F808 HydrophobicContact CG1-CD2 4.17Å; V362-F808 HydrophobicContact CG1-CE2 3.49Å; V362-F808 VanDerWaalsContact CG1-CE2 3.49Å; V362-F808 HydrophobicContact CG1-CZ 4.37Å; V362-F808 WeakPolarHBondContact O-CE2 3.46Å; V362-L812 HydrophobicContact CG1-CB 4.5Å; V362-L812 HydrophobicContact CG1-CD1 4.07Å |
| 363 | Q | 78 | Confident | 79.5 | Confident | 90 Ų | 90 | 77.4 Ų | 77.4 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57 | -41.4 | 175 | -80 | 176.9 | -16.6 | 0 | 0 | 113.5 | L359 R360 G366 Q367 L812 | L359-Q363 HydrophobicContact CD2-CG 4.22Å; L359-Q363 WeakPolarHBondContact O-CB 3.49Å; L359-Q363 WeakPolarHBondContact O-CG 3.24Å; L359-Q363 PolarHBondContact O-N 3.2Å; R360-Q363 WeakPolarHBondContact O-CB 3.36Å; R360-Q363 PolarHBondContact O-N 2.88Å; Q363-G366 PolarHBondContact O-N 3.25Å; Q363-Q367 PolarHBondContact O-N 3.4Å; Q363-L812 HydrophobicContact CG-CD1 3.68Å |
| 364 | E | 79.3 | Confident | 79.1 | Confident | 115 Ų | 115 | 79.8 Ų | 79.8 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 175.8 | -74.1 | -179.8 | -177.1 | 0 | 0 | 112.7 | R360 A361 V362 G366 Q367 K368 | R360-E364 PolarHBondContact O-N 2.79Å; A361-E364 PolarHBondContact O-N 3.02Å; V362-E364 VanDerWaalsContact C-N 3.33Å; V362-E364 PolarHBondContact O-N 2.88Å; E364-G366 VanDerWaalsContact C-N 3.35Å; E364-Q367 PolarHBondContact O-N 3.25Å; E364-K368 PolarHBondContact O-N 3.07Å |
| 365 | E | 76.9 | Confident | 78.4 | Confident | 120 Ų | 120 | 76.1 Ų | 76.1 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.8 | -39.4 | 174.6 | -159.7 | 173.5 | -159 | 0 | 0 | 111.1 | A361 V362 Q367 K368 D369 | A361-E365 PolarHBondContact O-N 2.92Å; V362-E365 PolarHBondContact O-N 3.44Å; E365-Q367 PolarHBondContact O-N 2.98Å; E365-K368 WeakPolarHBondContact O-CB 3.25Å; E365-K368 PolarHBondContact O-N 2.88Å; E365-K368 VanDerWaalsContact O-N 3.17Å; E365-D369 PolarHBondContact O-N 3.19Å |
| 366 | G | 73.1 | Confident | 77.9 | Confident | 5 Ų | 5 | 75.7 Ų | 75.7 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V362 Q363 E364 K368 D369 S370 | V362-G366 PolarHBondContact O-N 3.13Å; Q363-G366 PolarHBondContact O-N 3.25Å; E364-G366 VanDerWaalsContact C-N 3.35Å; G366-K368 VanDerWaalsContact C-N 3.29Å; G366-K368 PolarHBondContact O-N 3.46Å; G366-D369 PolarHBondContact O-N 3.29Å; G366-S370 WeakPolarHBondContact O-CB 3.44Å; G366-S370 PolarHBondContact O-N 3.22Å |
| 367 | Q | 73.6 | Confident | 77.3 | Confident | 144 Ų | 144 | 76.2 Ų | 76.2 | 67% | 0.673 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.4 | -37.4 | 172.7 | -77.9 | -178.5 | -5.7 | 0 | 0 | 111.5 | Q363 E364 E365 A371 | Q363-Q367 PolarHBondContact O-N 3.4Å; E364-Q367 PolarHBondContact O-N 3.25Å; E365-Q367 PolarHBondContact O-N 2.98Å; Q367-A371 VanDerWaalsContact O-CB 3.26Å; Q367-A371 WeakPolarHBondContact O-CB 3.04Å; Q367-A371 PolarHBondContact O-N 3.04Å |
| 368 | K | 75.6 | Confident | 76.3 | Confident | 158 Ų | 158 | 76 Ų | 76 | 69% | 0.687 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -69.5 | -43.2 | 175.7 | -67.4 | 177.1 | -178.8 | 171.8 | 0 | 112.2 | E364 E365 G366 A371 A372 | E364-K368 PolarHBondContact O-N 3.07Å; E365-K368 WeakPolarHBondContact O-CB 3.25Å; E365-K368 PolarHBondContact O-N 2.88Å; E365-K368 VanDerWaalsContact O-N 3.17Å; G366-K368 VanDerWaalsContact C-N 3.29Å; G366-K368 PolarHBondContact O-N 3.46Å; K368-A371 PolarHBondContact O-N 2.88Å; K368-A372 VanDerWaalsContact O-CB 3.3Å; K368-A372 WeakPolarHBondContact O-CB 3.38Å; K368-A372 PolarHBondContact O-N 3.22Å |
| 369 | D | 76.5 | Confident | 75.4 | Confident | 45 Ų | 45 | 76.3 Ų | 76.3 | 24% | 0.241 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.8 | -35.2 | 178.3 | -78.5 | -23.2 | 0 | 0 | 0 | 112.3 | E365 G366 A372 L373 | E365-D369 PolarHBondContact O-N 3.19Å; G366-D369 PolarHBondContact O-N 3.29Å; D369-A372 PolarHBondContact O-N 3.2Å; D369-L373 WeakPolarHBondContact O-CB 3.36Å; D369-L373 PolarHBondContact O-N 2.9Å |
| 370 | S | 73.4 | Confident | 74.5 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 171.9 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | G366 A372 L373 E374 | G366-S370 WeakPolarHBondContact O-CB 3.44Å; G366-S370 PolarHBondContact O-N 3.22Å; S370-A372 VanDerWaalsContact C-N 3.33Å; S370-A372 PolarHBondContact O-N 2.96Å; S370-L373 PolarHBondContact O-N 3.14Å; S370-E374 PolarHBondContact O-N 2.71Å |
| 371 | A | 76 | Confident | 73.6 | Confident | 52 Ų | 52 | 75 Ų | 75 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -36.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q367 K368 E374 A375 | Q367-A371 VanDerWaalsContact O-CB 3.26Å; Q367-A371 WeakPolarHBondContact O-CB 3.04Å; Q367-A371 PolarHBondContact O-N 3.04Å; K368-A371 PolarHBondContact O-N 2.88Å; A371-E374 PolarHBondContact O-N 3.47Å; A371-A375 VanDerWaalsContact O-CB 3.31Å; A371-A375 WeakPolarHBondContact O-CB 3.35Å; A371-A375 PolarHBondContact O-N 2.83Å |
| 372 | A | 76.9 | Confident | 72.3 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.5 | -34.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | K368 D369 S370 A376 | K368-A372 VanDerWaalsContact O-CB 3.3Å; K368-A372 WeakPolarHBondContact O-CB 3.38Å; K368-A372 PolarHBondContact O-N 3.22Å; D369-A372 PolarHBondContact O-N 3.2Å; S370-A372 VanDerWaalsContact C-N 3.33Å; S370-A372 PolarHBondContact O-N 2.96Å; A372-A376 VanDerWaalsContact O-CB 3.23Å; A372-A376 WeakPolarHBondContact O-CB 3.25Å; A372-A376 PolarHBondContact O-N 3.45Å |
| 373 | L | 77.3 | Confident | 71 | Confident | 30 Ų | 30 | 72.4 Ų | 72.4 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66 | -46 | 171.1 | 179.3 | 64.5 | 0 | 0 | 0 | 111.2 | D369 S370 A376 E377 A801 K802 A805 | D369-L373 WeakPolarHBondContact O-CB 3.36Å; D369-L373 PolarHBondContact O-N 2.9Å; S370-L373 PolarHBondContact O-N 3.14Å; L373-A376 PolarHBondContact O-N 3.27Å; L373-E377 WeakPolarHBondContact O-CB 3.43Å; L373-E377 WeakPolarHBondContact O-CG 3.44Å; L373-E377 PolarHBondContact O-N 3.48Å; L373-A801 HydrophobicContact CB-CB 4.41Å; L373-A801 HydrophobicContact CD1-CB 3.98Å; L373-K802 HydrophobicContact CD1-CB 3.84Å; L373-K802 HydrophobicContact CD1-CG 4.21Å; L373-A805 HydrophobicContact CD2-CB 3.81Å |
| 374 | E | 74.6 | Confident | 69.9 | Low | 117 Ų | 117 | 70.8 Ų | 70.8 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 173.9 | -97.2 | -179.8 | 151 | 0 | 0 | 111.7 | S370 A371 E377 Q378 | S370-E374 PolarHBondContact O-N 2.71Å; A371-E374 PolarHBondContact O-N 3.47Å; E374-E377 PolarHBondContact O-N 3.13Å; E374-Q378 WeakPolarHBondContact O-CB 3.48Å; E374-Q378 VanDerWaalsContact O-CG 3.25Å; E374-Q378 WeakPolarHBondContact O-CG 3.43Å; E374-Q378 PolarHBondContact O-N 3.21Å |
| 375 | A | 73.3 | Confident | 68.7 | Low | 53 Ų | 53 | 67 Ų | 67 | 44% | 0.438 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A371 Q378 H379 | A371-A375 VanDerWaalsContact O-CB 3.31Å; A371-A375 WeakPolarHBondContact O-CB 3.35Å; A371-A375 PolarHBondContact O-N 2.83Å; A375-Q378 PolarHBondContact O-N 2.89Å; A375-H379 VanDerWaalsContact O-CB 3.28Å; A375-H379 WeakPolarHBondContact O-CB 3.41Å; A375-H379 PolarHBondContact O-N 3.29Å |
| 376 | A | 72.3 | Confident | 67.5 | Low | 16 Ų | 16 | 61.5 Ų | 61.5 | 13% | 0.132 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.2 | -34.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A372 L373 F380 A801 | A372-A376 VanDerWaalsContact O-CB 3.23Å; A372-A376 WeakPolarHBondContact O-CB 3.25Å; A372-A376 PolarHBondContact O-N 3.45Å; L373-A376 PolarHBondContact O-N 3.27Å; A376-F380 VanDerWaalsContact O-CB 3.3Å; A376-F380 WeakPolarHBondContact O-CB 3.44Å; A376-F380 PolarHBondContact O-N 3.04Å; A376-A801 HydrophobicContact CB-CB 3.99Å |
| 377 | E | 69.4 | Low | 66.4 | Low | 62 Ų | 62 | 61.8 Ų | 61.8 | 29% | 0.29 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 170.4 | -84.9 | -167.7 | -175.7 | 0 | 0 | 112.2 | L373 E374 K381 L798 | L373-E377 WeakPolarHBondContact O-CB 3.43Å; L373-E377 WeakPolarHBondContact O-CG 3.44Å; L373-E377 PolarHBondContact O-N 3.48Å; E374-E377 PolarHBondContact O-N 3.13Å; E377-K381 WeakPolarHBondContact O-CB 3.41Å; E377-K381 WeakPolarHBondContact O-CD 3.43Å; E377-K381 WeakPolarHBondContact O-CG 3.38Å; E377-K381 PolarHBondContact O-N 2.97Å; E377-K381 IonicContact OE2-NZ 2.76Å; E377-L798 HydrophobicContact CB-CD1 4.12Å; E377-L798 HydrophobicContact CG-CD1 3.29Å |
| 378 | Q | 62.8 | Low | 65.1 | Low | 129 Ų | 129 | 58.1 Ų | 58.1 | 60% | 0.603 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -66.8 | -44.1 | 176.3 | -72.9 | 174.9 | 3.7 | 0 | 0 | 111.5 | E374 A375 K381 A382 | E374-Q378 WeakPolarHBondContact O-CB 3.48Å; E374-Q378 VanDerWaalsContact O-CG 3.25Å; E374-Q378 WeakPolarHBondContact O-CG 3.43Å; E374-Q378 PolarHBondContact O-N 3.21Å; A375-Q378 PolarHBondContact O-N 2.89Å; Q378-K381 PolarHBondContact O-N 3.45Å; Q378-A382 WeakPolarHBondContact O-CB 3.48Å; Q378-A382 PolarHBondContact O-N 3.43Å |
| 379 | H | 64 | Low | 63.3 | Low | 80 Ų | 80 | 54.1 Ų | 54.1 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 176.9 | -175.1 | -59.5 | 0 | 0 | 0 | 112.8 | A375 V383 A794 | A375-H379 VanDerWaalsContact O-CB 3.28Å; A375-H379 WeakPolarHBondContact O-CB 3.41Å; A375-H379 PolarHBondContact O-N 3.29Å; H379-V383 VanDerWaalsContact O-CG2 3.29Å; H379-V383 WeakPolarHBondContact O-CG2 3.41Å; H379-V383 PolarHBondContact O-N 2.92Å; H379-V383 VanDerWaalsContact O-N 3.08Å; H379-A794 WeakPolarHBondContact ND1-CB 3.35Å |
| 380 | F | 65.2 | Low | 61.6 | Low | 43 Ų | 43 | 57.8 Ų | 57.8 | 19% | 0.189 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 172.9 | 177 | -107.1 | 0 | 0 | 0 | 112 | A376 S384 L791 A794 Q795 L798 | A376-F380 VanDerWaalsContact O-CB 3.3Å; A376-F380 WeakPolarHBondContact O-CB 3.44Å; A376-F380 PolarHBondContact O-N 3.04Å; F380-S384 WeakPolarHBondContact O-CB 3.35Å; F380-S384 PolarHBondContact O-N 3.47Å; F380-S384 PolarHBondContact O-OG 3.18Å; F380-L791 HydrophobicContact CE2-CD2 4.48Å; F380-A794 HydrophobicContact CB-CB 4.36Å; F380-A794 HydrophobicContact CD2-CB 4.1Å; F380-Q795 HydrophobicContact CD2-CB 3.98Å; F380-Q795 HydrophobicContact CE2-CB 3.64Å; F380-Q795 HydrophobicContact CE2-CG 4.11Å; F380-L798 HydrophobicContact CB-CB 4.34Å; F380-L798 HydrophobicContact CB-CD2 4.31Å; F380-L798 HydrophobicContact CD1-CD2 3.75Å; F380-L798 HydrophobicContact CE1-CD2 4.3Å; F380-L798 HydrophobicContact CG-CD2 4Å |
| 381 | K | 62.9 | Low | 60.2 | Low | 120 Ų | 120 | 64.5 Ų | 64.5 | 52% | 0.522 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 174.8 | -74.1 | 166.1 | -173.5 | 160.7 | 0 | 111.4 | E377 Q378 S384 A385 | E377-K381 WeakPolarHBondContact O-CB 3.41Å; E377-K381 WeakPolarHBondContact O-CD 3.43Å; E377-K381 WeakPolarHBondContact O-CG 3.38Å; E377-K381 PolarHBondContact O-N 2.97Å; E377-K381 IonicContact OE2-NZ 2.76Å; Q378-K381 PolarHBondContact O-N 3.45Å; K381-S384 PolarHBondContact O-N 3.46Å; K381-S384 PolarHBondContact O-OG 3.27Å; K381-A385 WeakPolarHBondContact O-CB 3.35Å; K381-A385 PolarHBondContact O-N 3.22Å; K381-A385 VanDerWaalsContact O-N 3.13Å |
| 382 | A | 55.6 | Low | 58.7 | Low | 27 Ų | 27 | 69.7 Ų | 69.7 | 22% | 0.223 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q378 S384 A385 G386 L387 | Q378-A382 WeakPolarHBondContact O-CB 3.48Å; Q378-A382 PolarHBondContact O-N 3.43Å; A382-S384 PolarHBondContact O-N 2.97Å; A382-A385 CarbonylContact O-C 3.53Å; A382-A385 PolarHBondContact O-N 3.22Å; A382-A385 VanDerWaalsContact O-N 3.16Å; A382-G386 PolarHBondContact O-N 2.91Å; A382-L387 HydrophobicContact CB-CD1 4.28Å; A382-L387 WeakPolarHBondContact O-CD1 3.39Å; A382-L387 WeakPolarHBondContact O-CG 3.49Å |
| 383 | V | 53.9 | Low | 57.3 | Low | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.012 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.8 | -32.5 | -178.8 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | H379 A385 G386 E790 L791 A794 | H379-V383 VanDerWaalsContact O-CG2 3.29Å; H379-V383 WeakPolarHBondContact O-CG2 3.41Å; H379-V383 PolarHBondContact O-N 2.92Å; H379-V383 VanDerWaalsContact O-N 3.08Å; V383-A385 PolarHBondContact O-N 3.27Å; V383-G386 WeakPolarHBondContact O-CA 3.37Å; V383-G386 PolarHBondContact O-N 3.1Å; V383-G386 VanDerWaalsContact O-N 3.12Å; V383-E790 HydrophobicContact CB-CB 4.5Å; V383-E790 HydrophobicContact CG1-CB 3.27Å; V383-E790 WeakPolarHBondContact CG1-O 3.48Å; V383-E790 HydrophobicContact CG2-CB 4.37Å; V383-L791 VanDerWaalsContact CG1-CA 3.4Å; V383-L791 HydrophobicContact CG1-CB 4.15Å; V383-L791 HydrophobicContact CG1-CG 4.29Å; V383-A794 HydrophobicContact CB-CB 4.01Å; V383-A794 HydrophobicContact CG1-CB 4.42Å; V383-A794 HydrophobicContact CG2-CB 4.13Å |
| 384 | S | 55.6 | Low | 55.5 | Low | 57 Ų | 57 | 75.9 Ų | 75.9 | 40% | 0.399 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.3 | -30.6 | 171.4 | 83.9 | 0 | 0 | 0 | 0 | 113.1 | F380 K381 A382 | F380-S384 WeakPolarHBondContact O-CB 3.35Å; F380-S384 PolarHBondContact O-N 3.47Å; F380-S384 PolarHBondContact O-OG 3.18Å; K381-S384 PolarHBondContact O-N 3.46Å; K381-S384 PolarHBondContact O-OG 3.27Å; A382-S384 PolarHBondContact O-N 2.97Å |
| 385 | A | 53.5 | Low | 53.9 | Low | 35 Ų | 35 | 72.6 Ų | 72.6 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -2.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K381 A382 V383 L387 R787 | K381-A385 WeakPolarHBondContact O-CB 3.35Å; K381-A385 PolarHBondContact O-N 3.22Å; K381-A385 VanDerWaalsContact O-N 3.13Å; A382-A385 CarbonylContact O-C 3.53Å; A382-A385 PolarHBondContact O-N 3.22Å; A382-A385 VanDerWaalsContact O-N 3.16Å; V383-A385 PolarHBondContact O-N 3.27Å; A385-L387 HydrophobicContact CB-CD1 3.98Å; A385-L387 HydrophobicContact CB-CD2 4.29Å; A385-L387 HydrophobicContact CB-CG 4.37Å; A385-L387 WeakPolarHBondContact O-CD2 3.42Å; A385-L387 WeakPolarHBondContact O-CG 3.31Å; A385-R787 PolarHBondContact O-NH1 3.3Å; A385-R787 PolarHBondContact O-NH2 3.19Å |
| 386 | G | 52 | Low | 52.7 | Low | 4 Ų | 4 | 72.6 Ų | 72.6 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | trans | 57.2 | 92.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120 | A382 V383 T397 R787 | A382-G386 PolarHBondContact O-N 2.91Å; V383-G386 WeakPolarHBondContact O-CA 3.37Å; V383-G386 PolarHBondContact O-N 3.1Å; V383-G386 VanDerWaalsContact O-N 3.12Å; G386-T397 WeakPolarHBondContact O-CB 3.45Å; G386-T397 WeakPolarHBondContact O-CG2 3.42Å; G386-T397 PolarHBondContact O-OG1 3.09Å; G386-R787 VanDerWaalsContact CA-NE 3.33Å; G386-R787 PolarHBondContact O-NH1 3.38Å | ||
| 387 | L | 50.9 | Low | 51.9 | Low | 12 Ų | 12 | 72.9 Ų | 72.9 | 6% | 0.063 | 40% | 0.398 | C | S | . | . | trans | -155.1 | 141.7 | -149.1 | -57 | 169.4 | 0 | 0 | 0 | 109 | A382 A385 E395 D396 T397 | A382-L387 HydrophobicContact CB-CD1 4.28Å; A382-L387 WeakPolarHBondContact O-CD1 3.39Å; A382-L387 WeakPolarHBondContact O-CG 3.49Å; A385-L387 HydrophobicContact CB-CD1 3.98Å; A385-L387 HydrophobicContact CB-CD2 4.29Å; A385-L387 HydrophobicContact CB-CG 4.37Å; A385-L387 WeakPolarHBondContact O-CD2 3.42Å; A385-L387 WeakPolarHBondContact O-CG 3.31Å; L387-E395 HydrophobicContact CB-CB 4.11Å; L387-E395 VanDerWaalsContact CB-O 3.29Å; L387-E395 WeakPolarHBondContact CB-O 3.45Å; L387-E395 WeakPolarHBondContact CD1-O 3.5Å; L387-D396 VanDerWaalsContact CB-C 3.49Å; L387-D396 HydrophobicContact CD1-CB 4.1Å; L387-D396 WeakPolarHBondContact CD1-OD1 3.4Å; L387-D396 HydrophobicContact CD2-CB 4.2Å; L387-D396 WeakPolarHBondContact CD2-OD1 2.82Å; L387-D396 VanDerWaalsContact CG-CA 3.42Å; L387-D396 HydrophobicContact CG-CB 4.35Å; L387-T397 VanDerWaalsContact CA-N 3.33Å; L387-T397 WeakPolarHBondContact CD2-OG1 3.45Å; L387-T397 VanDerWaalsContact CG-N 3.34Å | ||
| 388 | S | 45.3 | Very low | 50.9 | Low | 66 Ų | 66 | 71.3 Ų | 71.3 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | trans | -109 | 155.9 | 175.3 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | D396 | S388-D396 PolarHBondContact O-N 3.38Š| ||
| 389 | T | 38.1 | Very low | 50.4 | Low | 75 Ų | 75 | 66.9 Ų | 66.9 | 46% | 0.46 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -77.1 | 137.8 | -165.4 | -3.3 | 0 | 0 | 0 | 0 | 113.5 | E394 E395 | T389-E394 WeakPolarHBondContact CA-O 3.26Å; T389-E395 VanDerWaalsContact CA-CG 3.41Å; T389-E395 WeakPolarHBondContact CB-OE1 3.35Å; T389-E395 HydrophobicContact CG2-CG 3.67Å; T389-E395 WeakPolarHBondContact CG2-OE1 3.31Å; T389-E395 PolarHBondContact OG1-OE1 3.13Å |
| 390 | N | 40.4 | Very low | 50.1 | Low | 122 Ų | 122 | 64 Ų | 64 | 65% | 0.652 | 37% | 0.369 | S | S | * | . | trans | -108.1 | 169.5 | 162.6 | -86.6 | -24.2 | 0 | 0 | 0 | 111.9 | D392 G393 E394 | N390-D392 PolarHBondContact O-N 2.73Å; N390-G393 PolarHBondContact O-N 3.36Å; N390-E394 PolarHBondContact N-O 3.28Å | ||
| 391 | E | 43.3 | Very low | 49.6 | Very low | 206 Ų | 206 | 64.2 Ų | 64.2 | 96% | 0.963 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -7.9 | -168.4 | -72.2 | -179.7 | 150.6 | 0 | 0 | 117.6 | ||
| 392 | D | 45.8 | Very low | 49.2 | Very low | 161 Ų | 161 | 59.6 Ų | 59.6 | 86% | 0.861 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 5.5 | 171 | -71 | -43.1 | 0 | 0 | 0 | 113.6 | N390 | N390-D392 PolarHBondContact O-N 2.73Š|
| 393 | G | 46.3 | Very low | 49.5 | Very low | 62 Ų | 62 | 64.4 Ų | 64.4 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 82.4 | 14.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N390 | N390-G393 PolarHBondContact O-N 3.36Š|
| 394 | E | 41.1 | Very low | 49.9 | Very low | 144 Ų | 144 | 66.3 Ų | 66.3 | 67% | 0.673 | 39% | 0.386 | S | S | * | . | trans | -100.9 | 134.1 | 173.6 | -66.4 | -174.2 | 165.4 | 0 | 0 | 111.4 | T389 N390 | T389-E394 WeakPolarHBondContact CA-O 3.26Å; N390-E394 PolarHBondContact N-O 3.28Å | ||
| 395 | E | 41.3 | Very low | 50.2 | Low | 48 Ų | 48 | 64.2 Ų | 64.2 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -99.1 | 110.4 | 172.8 | -93.7 | 156.9 | -160.1 | 0 | 0 | 109.5 | L387 T389 | L387-E395 HydrophobicContact CB-CB 4.11Å; L387-E395 VanDerWaalsContact CB-O 3.29Å; L387-E395 WeakPolarHBondContact CB-O 3.45Å; L387-E395 WeakPolarHBondContact CD1-O 3.5Å; T389-E395 VanDerWaalsContact CA-CG 3.41Å; T389-E395 WeakPolarHBondContact CB-OE1 3.35Å; T389-E395 HydrophobicContact CG2-CG 3.67Å; T389-E395 WeakPolarHBondContact CG2-OE1 3.31Å; T389-E395 PolarHBondContact OG1-OE1 3.13Å |
| 396 | D | 47.6 | Very low | 50.9 | Low | 53 Ų | 53 | 68.6 Ų | 68.6 | 28% | 0.283 | 38% | 0.384 | S | S | . | . | trans | -139.8 | 122 | 166.1 | -118.4 | -49.9 | 0 | 0 | 0 | 115.2 | L387 S388 Q401 | L387-D396 VanDerWaalsContact CB-C 3.49Å; L387-D396 HydrophobicContact CD1-CB 4.1Å; L387-D396 WeakPolarHBondContact CD1-OD1 3.4Å; L387-D396 HydrophobicContact CD2-CB 4.2Å; L387-D396 WeakPolarHBondContact CD2-OD1 2.82Å; L387-D396 VanDerWaalsContact CG-CA 3.42Å; L387-D396 HydrophobicContact CG-CB 4.35Å; S388-D396 PolarHBondContact O-N 3.38Å; D396-Q401 HydrophobicContact CB-CG 3.43Å; D396-Q401 VanDerWaalsContact CB-CG 3.43Å; D396-Q401 VanDerWaalsContact CG-CD 3.48Å; D396-Q401 VanDerWaalsContact CG-NE2 3.31Å; D396-Q401 VanDerWaalsContact OD1-CG 3.24Å; D396-Q401 WeakPolarHBondContact OD1-CG 3.46Å; D396-Q401 WeakPolarHBondContact OD2-CG 3.5Å; D396-Q401 PolarHBondContact OD2-NE2 3.35Å | ||
| 397 | T | 54.7 | Low | 51.7 | Low | 23 Ų | 23 | 72.7 Ų | 72.7 | 14% | 0.141 | 41% | 0.405 | C | S | . | . | trans | -65.2 | 134.9 | 147.2 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | G386 L387 A399 G400 Q401 R787 | G386-T397 WeakPolarHBondContact O-CB 3.45Å; G386-T397 WeakPolarHBondContact O-CG2 3.42Å; G386-T397 PolarHBondContact O-OG1 3.09Å; L387-T397 VanDerWaalsContact CA-N 3.33Å; L387-T397 WeakPolarHBondContact CD2-OG1 3.45Å; L387-T397 VanDerWaalsContact CG-N 3.34Å; T397-A399 PolarHBondContact O-N 3.21Å; T397-G400 PolarHBondContact O-N 3.16Å; T397-Q401 PolarHBondContact O-N 2.77Å; T397-R787 PolarHBondContact OG1-NH1 2.95Å | ||
| 398 | L | 49.6 | Very low | 52.6 | Low | 29 Ų | 29 | 75.6 Ų | 75.6 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.9 | -15.8 | -170.7 | -79.4 | 119.7 | 0 | 0 | 0 | 116 | M402 L776 K779 M780 | L398-M402 PolarHBondContact O-N 2.95Å; L398-L776 HydrophobicContact CD2-CB 4.36Å; L398-L776 HydrophobicContact CD2-CD2 3.8Å; L398-L776 VanDerWaalsContact CD2-O 3.22Å; L398-L776 WeakPolarHBondContact CD2-O 3.47Å; L398-K779 HydrophobicContact CD1-CB 3.29Å; L398-K779 HydrophobicContact CD1-CD 4.29Å; L398-K779 HydrophobicContact CD1-CG 4.41Å; L398-K779 WeakPolarHBondContact CD1-O 3.33Å; L398-K779 HydrophobicContact CD2-CB 3.45Å; L398-K779 VanDerWaalsContact CD2-CB 3.45Å; L398-K779 HydrophobicContact CD2-CD 3.86Å; L398-K779 HydrophobicContact CD2-CG 3.94Å; L398-K779 HydrophobicContact CG-CB 3.79Å; L398-M780 VanDerWaalsContact C-CG 3.48Å; L398-M780 HydrophobicContact CB-CB 4Å; L398-M780 HydrophobicContact CB-CG 3.66Å |
| 399 | A | 52 | Low | 53.8 | Low | 35 Ų | 35 | 74 Ų | 74 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73 | -37.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | T397 M403 M780 | T397-A399 PolarHBondContact O-N 3.21Å; A399-M403 PolarHBondContact O-N 2.94Å; A399-M403 VanDerWaalsContact O-N 3.13Å; A399-M780 WeakPolarHBondContact CA-SD 3.43Å; A399-M780 HydrophobicContact CB-CE 3.49Å; A399-M780 VanDerWaalsContact CB-CE 3.49Å; A399-M780 HydrophobicContact CB-CG 3.85Å; A399-M780 HydrophobicContact CB-SD 3.27Å; A399-M780 WeakPolarHBondContact CB-SD 3.39Å |
| 400 | G | 57.3 | Low | 55.5 | Low | 20 Ų | 20 | 73.6 Ų | 73.6 | 21% | 0.206 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.5 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T397 M402 M403 A404 | T397-G400 PolarHBondContact O-N 3.16Å; G400-M402 VanDerWaalsContact C-N 3.3Å; G400-M402 PolarHBondContact O-N 3.24Å; G400-M403 PolarHBondContact O-N 3.46Å; G400-A404 VanDerWaalsContact O-CB 3.24Å; G400-A404 WeakPolarHBondContact O-CB 3.48Å; G400-A404 PolarHBondContact O-N 2.85Å |
| 401 | Q | 54.1 | Low | 57.1 | Low | 48 Ų | 48 | 73.6 Ų | 73.6 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.8 | -36.4 | 178 | -62.2 | -167.8 | -52 | 0 | 0 | 113 | D396 T397 C405 L776 | D396-Q401 HydrophobicContact CB-CG 3.43Å; D396-Q401 VanDerWaalsContact CB-CG 3.43Å; D396-Q401 VanDerWaalsContact CG-CD 3.48Å; D396-Q401 VanDerWaalsContact CG-NE2 3.31Å; D396-Q401 VanDerWaalsContact OD1-CG 3.24Å; D396-Q401 WeakPolarHBondContact OD1-CG 3.46Å; D396-Q401 WeakPolarHBondContact OD2-CG 3.5Å; D396-Q401 PolarHBondContact OD2-NE2 3.35Å; T397-Q401 PolarHBondContact O-N 2.77Å; Q401-C405 WeakPolarHBondContact O-CB 3.48Å; Q401-C405 PolarHBondContact O-N 3.16Å; Q401-C405 PolarHBondContact O-SG 2.93Å; Q401-L776 HydrophobicContact CB-CB 4.26Å; Q401-L776 HydrophobicContact CB-CD1 3.41Å; Q401-L776 VanDerWaalsContact CB-CD1 3.41Å; Q401-L776 HydrophobicContact CB-CD2 3.45Å; Q401-L776 VanDerWaalsContact CB-CD2 3.45Å; Q401-L776 HydrophobicContact CB-CG 3.87Å; Q401-L776 HydrophobicContact CG-CD2 4.03Å |
| 402 | M | 55.9 | Low | 58.6 | Low | 22 Ų | 22 | 64 Ų | 64 | 11% | 0.108 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.1 | -49.8 | 172.8 | -76.8 | 178.7 | 71.8 | 0 | 0 | 111.6 | L398 G400 A404 C405 K406 Y773 L776 E777 M780 | L398-M402 PolarHBondContact O-N 2.95Å; G400-M402 VanDerWaalsContact C-N 3.3Å; G400-M402 PolarHBondContact O-N 3.24Å; M402-A404 VanDerWaalsContact C-N 3.3Å; M402-A404 PolarHBondContact O-N 3.45Å; M402-C405 PolarHBondContact O-N 3.42Å; M402-K406 WeakPolarHBondContact O-CB 3.5Å; M402-K406 PolarHBondContact O-N 3.16Å; M402-Y773 HydrophobicContact CB-CD2 4.09Å; M402-Y773 HydrophobicContact CB-CE2 3.72Å; M402-Y773 HydrophobicContact CE-CE1 3.77Å; M402-Y773 HydrophobicContact CE-CE2 4.07Å; M402-Y773 VanDerWaalsContact CE-CZ 3.47Å; M402-Y773 WeakPolarHBondContact CE-OH 3.32Å; M402-Y773 HydrophobicContact CG-CD2 4.41Å; M402-Y773 HydrophobicContact CG-CE2 4.25Å; M402-Y773 WeakPolarHBondContact O-CD2 3.41Å; M402-Y773 WeakPolarHBondContact O-CE2 3.35Å; M402-L776 HydrophobicContact CG-CB 3.67Å; M402-E777 HydrophobicContact CE-CB 3.94Å; M402-E777 HydrophobicContact CE-CG 3.93Å; M402-E777 WeakPolarHBondContact SD-CA 3.49Å; M402-E777 HydrophobicContact SD-CB 3.84Å; M402-E777 HydrophobicContact SD-CG 4.21Å; M402-M780 HydrophobicContact SD-SD 4.45Å |
| 403 | M | 60.2 | Low | 60.1 | Low | 129 Ų | 129 | 58.6 Ų | 58.6 | 64% | 0.635 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.2 | -33.4 | 177.9 | -88.5 | -148.1 | -76.9 | 0 | 0 | 112.9 | A399 G400 K406 N407 | A399-M403 PolarHBondContact O-N 2.94Å; A399-M403 VanDerWaalsContact O-N 3.13Å; G400-M403 PolarHBondContact O-N 3.46Å; M403-K406 PolarHBondContact O-N 3.34Å; M403-N407 VanDerWaalsContact O-CB 3.26Å; M403-N407 WeakPolarHBondContact O-CB 3.42Å; M403-N407 PolarHBondContact O-N 2.87Å |
| 404 | A | 62.3 | Low | 61.6 | Low | 42 Ų | 42 | 58.9 Ų | 58.9 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G400 M402 K406 N407 D408 | G400-A404 VanDerWaalsContact O-CB 3.24Å; G400-A404 WeakPolarHBondContact O-CB 3.48Å; G400-A404 PolarHBondContact O-N 2.85Å; M402-A404 VanDerWaalsContact C-N 3.3Å; M402-A404 PolarHBondContact O-N 3.45Å; A404-K406 PolarHBondContact O-N 3Å; A404-N407 CarbonylContact O-C 3.41Å; A404-N407 PolarHBondContact O-N 3.07Å; A404-N407 VanDerWaalsContact O-N 3.17Å; A404-D408 VanDerWaalsContact O-CB 3.3Å; A404-D408 WeakPolarHBondContact O-CB 3.42Å; A404-D408 PolarHBondContact O-N 2.85Å |
| 405 | C | 63.7 | Low | 63.4 | Low | 13 Ų | 13 | 57 Ų | 57 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.8 | -38.1 | 174.2 | -72.7 | 0 | 0 | 0 | 0 | 111.7 | Q401 M402 M409 Y773 | Q401-C405 WeakPolarHBondContact O-CB 3.48Å; Q401-C405 PolarHBondContact O-N 3.16Å; Q401-C405 PolarHBondContact O-SG 2.93Å; M402-C405 PolarHBondContact O-N 3.42Å; C405-M409 WeakPolarHBondContact O-CB 3.46Å; C405-M409 WeakPolarHBondContact O-CG 3.36Å; C405-M409 PolarHBondContact O-N 3.33Å; C405-Y773 HydrophobicContact CB-CD2 3.96Å; C405-Y773 HydrophobicContact CB-CG 4.44Å |
| 406 | K | 67.1 | Low | 65.2 | Low | 126 Ų | 126 | 55.2 Ų | 55.2 | 55% | 0.548 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.2 | -36.4 | 177.3 | -159.8 | 170.5 | -174.7 | 173.7 | 0 | 113.2 | M402 M403 A404 S410 Y773 | M402-K406 WeakPolarHBondContact O-CB 3.5Å; M402-K406 PolarHBondContact O-N 3.16Å; M403-K406 PolarHBondContact O-N 3.34Å; A404-K406 PolarHBondContact O-N 3Å; K406-S410 PolarHBondContact O-N 3.41Å; K406-Y773 HydrophobicContact CB-CD2 4.23Å; K406-Y773 HydrophobicContact CB-CE2 3.91Å; K406-Y773 HydrophobicContact CD-CE2 4.15Å; K406-Y773 HydrophobicContact CG-CE2 4.45Å |
| 407 | N | 68.3 | Low | 66.7 | Low | 91 Ų | 91 | 58.8 Ų | 58.8 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.7 | -35.7 | 174.7 | -83.6 | -20.8 | 0 | 0 | 0 | 112.1 | M403 A404 M409 S410 K411 | M403-N407 VanDerWaalsContact O-CB 3.26Å; M403-N407 WeakPolarHBondContact O-CB 3.42Å; M403-N407 PolarHBondContact O-N 2.87Å; A404-N407 CarbonylContact O-C 3.41Å; A404-N407 PolarHBondContact O-N 3.07Å; A404-N407 VanDerWaalsContact O-N 3.17Å; N407-M409 VanDerWaalsContact C-N 3.35Å; N407-S410 CarbonylContact O-C 3.59Å; N407-S410 PolarHBondContact O-N 2.88Å; N407-S410 VanDerWaalsContact O-N 3.14Å; N407-K411 WeakPolarHBondContact O-CB 3.33Å; N407-K411 VanDerWaalsContact O-CG 3.3Å; N407-K411 WeakPolarHBondContact O-CG 3.41Å; N407-K411 PolarHBondContact O-N 3.08Å |
| 408 | D | 70 | Confident | 67.7 | Low | 72 Ų | 72 | 63.6 Ų | 63.6 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 174.8 | -68.4 | -17 | 0 | 0 | 0 | 110.4 | A404 S410 K411 A412 A769 | A404-D408 VanDerWaalsContact O-CB 3.3Å; A404-D408 WeakPolarHBondContact O-CB 3.42Å; A404-D408 PolarHBondContact O-N 2.85Å; D408-S410 VanDerWaalsContact C-N 3.32Å; D408-S410 PolarHBondContact O-N 3.25Å; D408-K411 PolarHBondContact O-N 3.39Å; D408-A412 WeakPolarHBondContact O-CB 3.48Å; D408-A412 PolarHBondContact O-N 3.06Å; D408-A769 HydrophobicContact CB-CB 4.47Å |
| 409 | M | 71.8 | Confident | 69.2 | Low | 33 Ų | 33 | 62.8 Ų | 62.8 | 16% | 0.163 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.6 | -42 | 167 | -73.4 | 170.5 | 69.6 | 0 | 0 | 111.9 | C405 N407 D413 K766 A769 E770 | C405-M409 WeakPolarHBondContact O-CB 3.46Å; C405-M409 WeakPolarHBondContact O-CG 3.36Å; C405-M409 PolarHBondContact O-N 3.33Å; N407-M409 VanDerWaalsContact C-N 3.35Å; M409-D413 VanDerWaalsContact O-CB 3.28Å; M409-D413 WeakPolarHBondContact O-CB 3.43Å; M409-D413 PolarHBondContact O-N 3.44Å; M409-D413 VanDerWaalsContact O-N 3.07Å; M409-K766 HydrophobicContact CG-CG 4.46Å; M409-A769 HydrophobicContact CG-CB 3.81Å; M409-E770 HydrophobicContact CE-CB 3.94Å; M409-E770 VanDerWaalsContact CE-CD 3.48Å; M409-E770 HydrophobicContact CE-CG 3.5Å; M409-E770 VanDerWaalsContact CE-CG 3.5Å; M409-E770 WeakPolarHBondContact CE-OE1 3.39Å; M409-E770 HydrophobicContact SD-CB 3.92Å; M409-E770 HydrophobicContact SD-CG 3.96Å |
| 410 | S | 73.8 | Confident | 70.6 | Confident | 66 Ų | 66 | 65 Ų | 65 | 46% | 0.462 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -73 | -36 | 178.6 | -168.7 | 0 | 0 | 0 | 0 | 113.3 | K406 N407 D408 D413 T414 | K406-S410 PolarHBondContact O-N 3.41Å; N407-S410 CarbonylContact O-C 3.59Å; N407-S410 PolarHBondContact O-N 2.88Å; N407-S410 VanDerWaalsContact O-N 3.14Å; D408-S410 VanDerWaalsContact C-N 3.32Å; D408-S410 PolarHBondContact O-N 3.25Å; S410-D413 PolarHBondContact O-N 2.92Å; S410-T414 WeakPolarHBondContact O-CB 3.41Å; S410-T414 PolarHBondContact O-N 2.92Å; S410-T414 PolarHBondContact O-OG1 3.33Å |
| 411 | K | 73.8 | Confident | 71.6 | Confident | 122 Ų | 122 | 71 Ų | 71 | 53% | 0.53 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.3 | -47.4 | 176.6 | -77.5 | 175.1 | -177.3 | 173.3 | 0 | 110.6 | N407 D408 D413 T414 E415 | N407-K411 WeakPolarHBondContact O-CB 3.33Å; N407-K411 VanDerWaalsContact O-CG 3.3Å; N407-K411 WeakPolarHBondContact O-CG 3.41Å; N407-K411 PolarHBondContact O-N 3.08Å; D408-K411 PolarHBondContact O-N 3.39Å; K411-D413 PolarHBondContact O-N 3.05Å; K411-T414 CarbonylContact O-C 3.51Å; K411-T414 WeakPolarHBondContact O-CA 3.47Å; K411-T414 PolarHBondContact O-N 3.49Å; K411-E415 WeakPolarHBondContact O-CB 3.37Å; K411-E415 WeakPolarHBondContact O-CG 3.36Å; K411-E415 PolarHBondContact O-N 3.44Å |
| 412 | A | 75.1 | Confident | 72.8 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 3% | 0.033 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.7 | -35.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D408 A416 K766 | D408-A412 WeakPolarHBondContact O-CB 3.48Å; D408-A412 PolarHBondContact O-N 3.06Å; A412-A416 WeakPolarHBondContact O-CB 3.45Å; A412-A416 PolarHBondContact O-N 3.44Å; A412-K766 HydrophobicContact CB-CB 4.15Å |
| 413 | D | 77.3 | Confident | 74.1 | Confident | 49 Ų | 49 | 72 Ų | 72 | 26% | 0.262 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.5 | -32.9 | 173.6 | -155.3 | 66.6 | 0 | 0 | 0 | 112.9 | M409 S410 K411 K417 K766 | M409-D413 VanDerWaalsContact O-CB 3.28Å; M409-D413 WeakPolarHBondContact O-CB 3.43Å; M409-D413 PolarHBondContact O-N 3.44Å; M409-D413 VanDerWaalsContact O-N 3.07Å; S410-D413 PolarHBondContact O-N 2.92Å; K411-D413 PolarHBondContact O-N 3.05Å; D413-K417 WeakPolarHBondContact O-CB 3.42Å; D413-K417 WeakPolarHBondContact O-CD 3.34Å; D413-K417 VanDerWaalsContact O-CG 3.23Å; D413-K417 WeakPolarHBondContact O-CG 3.24Å; D413-K417 PolarHBondContact O-N 2.93Å; D413-K417 VanDerWaalsContact O-N 3.13Å; D413-K417 VanDerWaalsContact OD2-CE 3.23Å; D413-K417 WeakPolarHBondContact OD2-CE 3.39Å; D413-K417 IonicContact OD2-NZ 3.54Å; D413-K417 PolarHBondContact OD2-NZ 3.35Å; D413-K766 IonicContact OD1-NZ 2.73Å; D413-K766 PolarHBondContact OD1-NZ 3.24Å |
| 414 | T | 76.7 | Confident | 75.2 | Confident | 67 Ų | 67 | 72.4 Ų | 72.4 | 41% | 0.411 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -76.9 | -42.7 | 178.1 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | S410 K411 K417 Q418 | S410-T414 WeakPolarHBondContact O-CB 3.41Å; S410-T414 PolarHBondContact O-N 2.92Å; S410-T414 PolarHBondContact O-OG1 3.33Å; K411-T414 CarbonylContact O-C 3.51Å; K411-T414 WeakPolarHBondContact O-CA 3.47Å; K411-T414 PolarHBondContact O-N 3.49Å; T414-K417 PolarHBondContact O-N 2.91Å; T414-Q418 PolarHBondContact O-N 2.82Å |
| 415 | E | 78.6 | Confident | 76.1 | Confident | 104 Ų | 104 | 76.4 Ų | 76.4 | 49% | 0.486 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 173.5 | -74.8 | 174.9 | -179.3 | 0 | 0 | 111.1 | K411 K417 Q418 A419 T762 | K411-E415 WeakPolarHBondContact O-CB 3.37Å; K411-E415 WeakPolarHBondContact O-CG 3.36Å; K411-E415 PolarHBondContact O-N 3.44Å; E415-K417 VanDerWaalsContact C-N 3.28Å; E415-K417 PolarHBondContact O-N 2.85Å; E415-Q418 PolarHBondContact O-N 3.48Å; E415-A419 VanDerWaalsContact O-CB 3.24Å; E415-A419 WeakPolarHBondContact O-CB 3.08Å; E415-A419 PolarHBondContact O-N 3.12Å; E415-T762 HydrophobicContact CB-CG2 4.07Å |
| 416 | A | 78.9 | Confident | 77 | Confident | 11 Ų | 11 | 76.3 Ų | 76.3 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A412 Q420 | A412-A416 WeakPolarHBondContact O-CB 3.45Å; A412-A416 PolarHBondContact O-N 3.44Å; A416-Q420 WeakPolarHBondContact O-CB 3.48Å; A416-Q420 PolarHBondContact O-N 3.01Å |
| 417 | K | 79.6 | Confident | 77.7 | Confident | 129 Ų | 129 | 74 Ų | 74 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69.8 | -38.8 | 175.9 | -75.7 | 169.3 | -167.8 | 160.1 | 0 | 113 | D413 T414 E415 Q420 M421 | D413-K417 WeakPolarHBondContact O-CB 3.42Å; D413-K417 WeakPolarHBondContact O-CD 3.34Å; D413-K417 VanDerWaalsContact O-CG 3.23Å; D413-K417 WeakPolarHBondContact O-CG 3.24Å; D413-K417 PolarHBondContact O-N 2.93Å; D413-K417 VanDerWaalsContact O-N 3.13Å; D413-K417 VanDerWaalsContact OD2-CE 3.23Å; D413-K417 WeakPolarHBondContact OD2-CE 3.39Å; D413-K417 IonicContact OD2-NZ 3.54Å; D413-K417 PolarHBondContact OD2-NZ 3.35Å; T414-K417 PolarHBondContact O-N 2.91Å; E415-K417 VanDerWaalsContact C-N 3.28Å; E415-K417 PolarHBondContact O-N 2.85Å; K417-Q420 PolarHBondContact O-N 3.42Å; K417-M421 WeakPolarHBondContact O-CB 3.32Å; K417-M421 PolarHBondContact O-N 3.46Å |
| 418 | Q | 76.4 | Confident | 78.4 | Confident | 124 Ų | 124 | 72.7 Ų | 72.7 | 58% | 0.579 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.8 | -48.3 | 175.8 | -80.6 | 178.2 | -21.1 | 0 | 0 | 111.3 | T414 E415 Q420 M421 T422 | T414-Q418 PolarHBondContact O-N 2.82Å; E415-Q418 PolarHBondContact O-N 3.48Å; Q418-Q420 PolarHBondContact O-N 3.42Å; Q418-M421 WeakPolarHBondContact O-CA 3.2Å; Q418-M421 WeakPolarHBondContact O-CB 3.44Å; Q418-M421 PolarHBondContact O-N 3.49Å; Q418-T422 PolarHBondContact O-N 3.44Å; Q418-T422 PolarHBondContact O-OG1 2.96Å |
| 419 | A | 79.6 | Confident | 78.9 | Confident | 11 Ų | 11 | 73.1 Ų | 73.1 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.8 | -36.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E415 M421 T422 L423 T758 L759 | E415-A419 VanDerWaalsContact O-CB 3.24Å; E415-A419 WeakPolarHBondContact O-CB 3.08Å; E415-A419 PolarHBondContact O-N 3.12Å; A419-M421 VanDerWaalsContact C-N 3.32Å; A419-M421 PolarHBondContact O-N 2.76Å; A419-T422 WeakPolarHBondContact CA-OG1 3.45Å; A419-T422 PolarHBondContact O-OG1 3.22Å; A419-L423 WeakPolarHBondContact O-CB 3.39Å; A419-L423 PolarHBondContact O-N 2.9Å; A419-T758 HydrophobicContact CB-CG2 4.42Å; A419-L759 HydrophobicContact CB-CD1 4.22Å; A419-L759 HydrophobicContact CB-CG 4.44Å |
| 420 | Q | 81.6 | Confident | 79.5 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.1 | -32.9 | 174.7 | -163.1 | 125.1 | 36.7 | 0 | 0 | 112.6 | A416 K417 Q418 K424 L759 | A416-Q420 WeakPolarHBondContact O-CB 3.48Å; A416-Q420 PolarHBondContact O-N 3.01Å; K417-Q420 PolarHBondContact O-N 3.42Å; Q418-Q420 PolarHBondContact O-N 3.42Å; Q420-K424 WeakPolarHBondContact O-CB 3.35Å; Q420-K424 WeakPolarHBondContact O-CG 3.46Å; Q420-K424 PolarHBondContact O-N 3.04Å; Q420-K424 VanDerWaalsContact O-N 3.07Å; Q420-L759 VanDerWaalsContact CA-CD1 3.49Å; Q420-L759 HydrophobicContact CB-CD1 3.7Å; Q420-L759 HydrophobicContact CG-CD1 4.17Å |
| 421 | M | 78.4 | Confident | 79.9 | Confident | 145 Ų | 145 | 77.1 Ų | 77.1 | 71% | 0.714 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -76.1 | -42.2 | 178.9 | -164.3 | 172.3 | -174.1 | 0 | 0 | 111.5 | K417 Q418 A419 K424 H425 | K417-M421 WeakPolarHBondContact O-CB 3.32Å; K417-M421 PolarHBondContact O-N 3.46Å; Q418-M421 WeakPolarHBondContact O-CA 3.2Å; Q418-M421 WeakPolarHBondContact O-CB 3.44Å; Q418-M421 PolarHBondContact O-N 3.49Å; A419-M421 VanDerWaalsContact C-N 3.32Å; A419-M421 PolarHBondContact O-N 2.76Å; M421-K424 PolarHBondContact O-N 3.35Å; M421-H425 WeakPolarHBondContact O-CB 3.48Å; M421-H425 PolarHBondContact O-N 2.97Å |
| 422 | T | 79.4 | Confident | 80.2 | Confident | 75 Ų | 75 | 74.4 Ų | 74.4 | 46% | 0.46 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 173 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | Q418 A419 K424 H425 A426 | Q418-T422 PolarHBondContact O-N 3.44Å; Q418-T422 PolarHBondContact O-OG1 2.96Å; A419-T422 WeakPolarHBondContact CA-OG1 3.45Å; A419-T422 PolarHBondContact O-OG1 3.22Å; T422-K424 PolarHBondContact O-N 2.98Å; T422-H425 PolarHBondContact O-N 3Å; T422-A426 VanDerWaalsContact O-CB 3.3Å; T422-A426 WeakPolarHBondContact O-CB 3.39Å; T422-A426 PolarHBondContact O-N 2.82Å |
| 423 | L | 84.8 | Confident | 80.4 | Confident | 15 Ų | 15 | 76.3 Ų | 76.3 | 8% | 0.079 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.2 | -50 | 171.9 | -174.9 | 86 | 0 | 0 | 0 | 111.1 | A419 H425 A426 Q427 I752 E756 | A419-L423 WeakPolarHBondContact O-CB 3.39Å; A419-L423 PolarHBondContact O-N 2.9Å; L423-H425 VanDerWaalsContact C-N 3.34Å; L423-H425 PolarHBondContact O-N 3.07Å; L423-A426 PolarHBondContact O-N 3.17Å; L423-Q427 HydrophobicContact CG-CG 4.42Å; L423-Q427 VanDerWaalsContact O-CB 3.24Å; L423-Q427 WeakPolarHBondContact O-CB 3.38Å; L423-Q427 WeakPolarHBondContact O-CG 3.47Å; L423-Q427 PolarHBondContact O-N 3.46Å; L423-I752 HydrophobicContact CD1-CG2 3.82Å; L423-E756 HydrophobicContact CD1-CB 4.39Å; L423-E756 HydrophobicContact CD1-CG 3.26Å; L423-E756 HydrophobicContact CD2-CG 4.33Å; L423-E756 HydrophobicContact CG-CG 4.42Å |
| 424 | K | 82.8 | Confident | 80.4 | Confident | 139 Ų | 139 | 76.7 Ų | 76.7 | 60% | 0.604 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | 178.8 | -81.4 | -179.2 | 177.9 | -177.8 | 0 | 112.5 | Q420 M421 T422 A428 | Q420-K424 WeakPolarHBondContact O-CB 3.35Å; Q420-K424 WeakPolarHBondContact O-CG 3.46Å; Q420-K424 PolarHBondContact O-N 3.04Å; Q420-K424 VanDerWaalsContact O-N 3.07Å; M421-K424 PolarHBondContact O-N 3.35Å; T422-K424 PolarHBondContact O-N 2.98Å; K424-A428 VanDerWaalsContact O-CB 3.32Å; K424-A428 WeakPolarHBondContact O-CB 3.45Å; K424-A428 PolarHBondContact O-N 2.91Å |
| 425 | H | 81.1 | Confident | 80.4 | Confident | 125 Ų | 125 | 75.9 Ų | 75.9 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65 | -51.8 | 176.8 | -173.1 | -79.9 | 0 | 0 | 0 | 111.1 | M421 T422 L423 Q427 A428 E429 | M421-H425 WeakPolarHBondContact O-CB 3.48Å; M421-H425 PolarHBondContact O-N 2.97Å; T422-H425 PolarHBondContact O-N 3Å; L423-H425 VanDerWaalsContact C-N 3.34Å; L423-H425 PolarHBondContact O-N 3.07Å; H425-Q427 VanDerWaalsContact C-N 3.31Å; H425-Q427 PolarHBondContact O-N 3.28Å; H425-A428 PolarHBondContact O-N 3.13Å; H425-A428 VanDerWaalsContact O-N 3.12Å; H425-E429 IonicContact CE1-OE2 2.77Å; H425-E429 PolarHBondContact CE1-OE2 3.07Å; H425-E429 VanDerWaalsContact CE1-OE2 3.24Å; H425-E429 IonicContact ND1-OE2 2.74Å; H425-E429 PolarHBondContact ND1-OE2 3.24Å; H425-E429 WeakPolarHBondContact O-CB 3.45Å; H425-E429 PolarHBondContact O-N 2.97Å |
| 426 | A | 81.8 | Confident | 80.2 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T422 L423 L430 I752 | T422-A426 VanDerWaalsContact O-CB 3.3Å; T422-A426 WeakPolarHBondContact O-CB 3.39Å; T422-A426 PolarHBondContact O-N 2.82Å; L423-A426 PolarHBondContact O-N 3.17Å; A426-L430 WeakPolarHBondContact O-CB 3.49Å; A426-L430 PolarHBondContact O-N 3.35Å; A426-I752 HydrophobicContact CB-CD1 4.32Å; A426-I752 HydrophobicContact CB-CG1 3.66Å |
| 427 | Q | 82.9 | Confident | 79.9 | Confident | 78 Ų | 78 | 74.9 Ų | 74.9 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 173.8 | -75.5 | 175.3 | -10.3 | 0 | 0 | 112.7 | L423 H425 K431 I752 | L423-Q427 HydrophobicContact CG-CG 4.42Å; L423-Q427 VanDerWaalsContact O-CB 3.24Å; L423-Q427 WeakPolarHBondContact O-CB 3.38Å; L423-Q427 WeakPolarHBondContact O-CG 3.47Å; L423-Q427 PolarHBondContact O-N 3.46Å; H425-Q427 VanDerWaalsContact C-N 3.31Å; H425-Q427 PolarHBondContact O-N 3.28Å; Q427-K431 WeakPolarHBondContact O-CB 3.36Å; Q427-K431 PolarHBondContact O-N 3.25Å; Q427-I752 HydrophobicContact CG-CD1 3.91Å; Q427-I752 HydrophobicContact CG-CG1 4.18Å; Q427-I752 HydrophobicContact CG-CG2 4.19Å |
| 428 | A | 82.2 | Confident | 79.4 | Confident | 63 Ų | 63 | 76.9 Ų | 76.9 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.7 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K424 H425 K431 S432 | K424-A428 VanDerWaalsContact O-CB 3.32Å; K424-A428 WeakPolarHBondContact O-CB 3.45Å; K424-A428 PolarHBondContact O-N 2.91Å; H425-A428 PolarHBondContact O-N 3.13Å; H425-A428 VanDerWaalsContact O-N 3.12Å; A428-K431 PolarHBondContact O-N 3.29Å; A428-S432 PolarHBondContact O-N 2.93Å |
| 429 | E | 80.4 | Confident | 79.1 | Confident | 82 Ų | 82 | 79.4 Ų | 79.4 | 38% | 0.383 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.7 | -43 | 177.9 | -163.1 | 167.7 | -161 | 0 | 0 | 111.5 | H425 K431 S432 K433 L748 | H425-E429 IonicContact CE1-OE2 2.77Å; H425-E429 PolarHBondContact CE1-OE2 3.07Å; H425-E429 VanDerWaalsContact CE1-OE2 3.24Å; H425-E429 IonicContact ND1-OE2 2.74Å; H425-E429 PolarHBondContact ND1-OE2 3.24Å; H425-E429 WeakPolarHBondContact O-CB 3.45Å; H425-E429 PolarHBondContact O-N 2.97Å; E429-K431 VanDerWaalsContact C-N 3.29Å; E429-K431 PolarHBondContact O-N 3.1Å; E429-S432 PolarHBondContact O-N 2.81Å; E429-K433 WeakPolarHBondContact O-CB 3.47Å; E429-K433 WeakPolarHBondContact O-CG 3.49Å; E429-K433 PolarHBondContact O-N 3.25Å; E429-L748 HydrophobicContact CG-CD1 4.4Å |
| 430 | L | 83.8 | Confident | 78.4 | Confident | 23 Ų | 23 | 82.2 Ų | 82.2 | 12% | 0.12 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -55.7 | -44.7 | 169.8 | -174.8 | 83.3 | 0 | 0 | 0 | 110.7 | A426 Q434 L745 L748 R749 I752 | A426-L430 WeakPolarHBondContact O-CB 3.49Å; A426-L430 PolarHBondContact O-N 3.35Å; L430-Q434 HydrophobicContact CG-CG 4.32Å; L430-Q434 WeakPolarHBondContact O-CB 3.31Å; L430-Q434 WeakPolarHBondContact O-CG 3.45Å; L430-Q434 PolarHBondContact O-N 2.92Å; L430-L745 HydrophobicContact CD1-CD2 3.77Å; L430-L745 HydrophobicContact CG-CD2 4.47Å; L430-L748 HydrophobicContact CD1-CB 3.84Å; L430-R749 HydrophobicContact CD1-CG 3.69Å; L430-R749 HydrophobicContact CD2-CG 4.3Å; L430-I752 HydrophobicContact CB-CD1 4.01Å; L430-I752 HydrophobicContact CD2-CD1 3.72Å; L430-I752 HydrophobicContact CG-CD1 4.3Å |
| 431 | K | 82.1 | Confident | 77.7 | Confident | 160 Ų | 160 | 81.6 Ų | 81.6 | 70% | 0.696 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.9 | -37.6 | -180 | -166.5 | 176.3 | -178 | 179.5 | 0 | 112.5 | Q427 A428 E429 A435 | Q427-K431 WeakPolarHBondContact O-CB 3.36Å; Q427-K431 PolarHBondContact O-N 3.25Å; A428-K431 PolarHBondContact O-N 3.29Å; E429-K431 VanDerWaalsContact C-N 3.29Å; E429-K431 PolarHBondContact O-N 3.1Å; K431-A435 PolarHBondContact O-N 2.75Å |
| 432 | S | 81 | Confident | 77.2 | Confident | 65 Ų | 65 | 78.8 Ų | 78.8 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.8 | -51.5 | 174.4 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | A428 E429 Q434 A435 E436 | A428-S432 PolarHBondContact O-N 2.93Å; E429-S432 PolarHBondContact O-N 2.81Å; S432-Q434 PolarHBondContact O-N 3.16Å; S432-A435 WeakPolarHBondContact O-CA 3.37Å; S432-A435 WeakPolarHBondContact O-CB 3.39Å; S432-A435 PolarHBondContact O-N 2.85Å; S432-E436 PolarHBondContact O-N 3.02Å |
| 433 | K | 78.4 | Confident | 76.8 | Confident | 44 Ų | 44 | 76.9 Ų | 76.9 | 19% | 0.191 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 178.1 | -73.4 | -77.6 | -172.4 | 155.5 | 0 | 112.5 | E429 A435 E436 V437 E744 L745 L748 | E429-K433 WeakPolarHBondContact O-CB 3.47Å; E429-K433 WeakPolarHBondContact O-CG 3.49Å; E429-K433 PolarHBondContact O-N 3.25Å; K433-A435 VanDerWaalsContact C-N 3.28Å; K433-A435 PolarHBondContact O-N 2.86Å; K433-E436 PolarHBondContact O-N 3.39Å; K433-V437 WeakPolarHBondContact O-CB 3.47Å; K433-V437 WeakPolarHBondContact O-CG2 3.39Å; K433-V437 PolarHBondContact O-N 3.28Å; K433-E744 IonicContact NZ-OE2 3.45Å; K433-E744 PolarHBondContact NZ-OE2 3.09Å; K433-L745 HydrophobicContact CB-CD2 3.56Å; K433-L745 HydrophobicContact CB-CG 4.33Å; K433-L748 HydrophobicContact CG-CD1 4.41Å |
| 434 | Q | 77.4 | Confident | 76.5 | Confident | 56 Ų | 56 | 77.8 Ų | 77.8 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 171.9 | -79.7 | 178 | 1.9 | 0 | 0 | 112.3 | L430 S432 K438 L745 | L430-Q434 HydrophobicContact CG-CG 4.32Å; L430-Q434 WeakPolarHBondContact O-CB 3.31Å; L430-Q434 WeakPolarHBondContact O-CG 3.45Å; L430-Q434 PolarHBondContact O-N 2.92Å; S432-Q434 PolarHBondContact O-N 3.16Å; Q434-K438 WeakPolarHBondContact O-CB 3.42Å; Q434-K438 VanDerWaalsContact O-CG 3.32Å; Q434-K438 WeakPolarHBondContact O-CG 3.34Å; Q434-K438 PolarHBondContact O-N 3.33Å; Q434-K438 VanDerWaalsContact O-N 3.11Å; Q434-L745 HydrophobicContact CG-CD1 4.06Å; Q434-L745 HydrophobicContact CG-CD2 3.76Å |
| 435 | A | 78 | Confident | 76.3 | Confident | 50 Ų | 50 | 76.5 Ų | 76.5 | 41% | 0.413 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -73.4 | -33.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K431 S432 K433 K439 | K431-A435 PolarHBondContact O-N 2.75Å; S432-A435 WeakPolarHBondContact O-CA 3.37Å; S432-A435 WeakPolarHBondContact O-CB 3.39Å; S432-A435 PolarHBondContact O-N 2.85Å; K433-A435 VanDerWaalsContact C-N 3.28Å; K433-A435 PolarHBondContact O-N 2.86Å; A435-K439 WeakPolarHBondContact O-CG 3.38Å; A435-K439 PolarHBondContact O-N 3.47Å |
| 436 | E | 72.8 | Confident | 76.3 | Confident | 77 Ų | 77 | 77.7 Ų | 77.7 | 36% | 0.36 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.1 | -46.7 | 173 | -70.9 | -178.4 | 178.6 | 0 | 0 | 112.2 | S432 K433 K438 K439 M440 | S432-E436 PolarHBondContact O-N 3.02Å; K433-E436 PolarHBondContact O-N 3.39Å; E436-K438 VanDerWaalsContact C-N 3.32Å; E436-K438 PolarHBondContact O-N 2.95Å; E436-K439 WeakPolarHBondContact O-CB 3.25Å; E436-K439 PolarHBondContact O-N 3.14Å; E436-M440 HydrophobicContact CB-CE 4.49Å; E436-M440 PolarHBondContact O-N 2.96Å; E436-M440 VanDerWaalsContact O-N 3.14Å |
| 437 | V | 72.4 | Confident | 76.3 | Confident | 17 Ų | 17 | 78.9 Ų | 78.9 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 111 | K433 K439 M440 D441 F738 Q741 L745 | K433-V437 WeakPolarHBondContact O-CB 3.47Å; K433-V437 WeakPolarHBondContact O-CG2 3.39Å; K433-V437 PolarHBondContact O-N 3.28Å; V437-K439 PolarHBondContact O-N 3.3Å; V437-M440 PolarHBondContact O-N 3.17Å; V437-D441 PolarHBondContact O-N 3.13Å; V437-F738 HydrophobicContact CG1-CD2 4.11Å; V437-F738 HydrophobicContact CG1-CE2 3.47Å; V437-F738 VanDerWaalsContact CG1-CE2 3.47Å; V437-F738 HydrophobicContact CG1-CZ 3.81Å; V437-F738 WeakPolarHBondContact O-CE2 3.43Å; V437-Q741 HydrophobicContact CG2-CB 3.71Å; V437-L745 HydrophobicContact CB-CD1 3.96Å; V437-L745 HydrophobicContact CG1-CD1 4.17Å; V437-L745 HydrophobicContact CG2-CD1 3.59Å; V437-L745 HydrophobicContact CG2-CG 4.35Å |
| 438 | K | 70.5 | Confident | 76.3 | Confident | 171 Ų | 171 | 79.1 Ų | 79.1 | 74% | 0.743 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.7 | -24.8 | 173.2 | -81.3 | -179 | 178.4 | -177.8 | 0 | 114.2 | Q434 E436 | Q434-K438 WeakPolarHBondContact O-CB 3.42Å; Q434-K438 VanDerWaalsContact O-CG 3.32Å; Q434-K438 WeakPolarHBondContact O-CG 3.34Å; Q434-K438 PolarHBondContact O-N 3.33Å; Q434-K438 VanDerWaalsContact O-N 3.11Å; E436-K438 VanDerWaalsContact C-N 3.32Å; E436-K438 PolarHBondContact O-N 2.95Å |
| 439 | K | 70 | Confident | 76.4 | Confident | 178 Ų | 178 | 80.4 Ų | 80.4 | 77% | 0.774 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -84.4 | -27.7 | 176.2 | -72.4 | 175.2 | -179.8 | 178.7 | 0 | 112.8 | A435 E436 V437 | A435-K439 WeakPolarHBondContact O-CG 3.38Å; A435-K439 PolarHBondContact O-N 3.47Å; E436-K439 WeakPolarHBondContact O-CB 3.25Å; E436-K439 PolarHBondContact O-N 3.14Å; V437-K439 PolarHBondContact O-N 3.3Å |
| 440 | M | 65.3 | Low | 76.7 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 35% | 0.345 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -88.6 | -2.1 | -178.6 | -63.2 | -162.9 | -143.8 | 0 | 0 | 114.4 | E436 V437 S442 F738 | E436-M440 HydrophobicContact CB-CE 4.49Å; E436-M440 PolarHBondContact O-N 2.96Å; E436-M440 VanDerWaalsContact O-N 3.14Å; V437-M440 PolarHBondContact O-N 3.17Å; M440-S442 VanDerWaalsContact C-N 3.29Å; M440-S442 PolarHBondContact O-N 3.42Å; M440-F738 HydrophobicContact CB-CD2 4.03Å |
| 441 | D | 66 | Low | 76.9 | Confident | 70 Ų | 70 | 77.8 Ų | 77.8 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.4 | -31.5 | -174.4 | -164.4 | 34.9 | 0 | 0 | 0 | 114.5 | V437 G443 K445 F738 | V437-D441 PolarHBondContact O-N 3.13Å; D441-G443 PolarHBondContact O-N 3.19Å; D441-K445 VanDerWaalsContact O-CB 3.23Å; D441-K445 WeakPolarHBondContact O-CB 3.41Å; D441-K445 PolarHBondContact O-N 3.46Å; D441-K445 VanDerWaalsContact O-N 3.15Å; D441-F738 HydrophobicContact CB-CE2 4.31Å |
| 442 | S | 68.4 | Low | 77.1 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 59% | 0.594 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -71.6 | -26.8 | -172.3 | 69.3 | 0 | 0 | 0 | 0 | 115.4 | M440 K446 | M440-S442 VanDerWaalsContact C-N 3.29Å; M440-S442 PolarHBondContact O-N 3.42Å; S442-K446 WeakPolarHBondContact O-CG 3.43Å |
| 443 | G | 71.3 | Confident | 77.5 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -83.9 | -46 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D441 K445 K446 D447 | D441-G443 PolarHBondContact O-N 3.19Å; G443-K445 PolarHBondContact O-N 3.34Å; G443-K446 PolarHBondContact O-N 3.13Å; G443-D447 PolarHBondContact O-N 3.12Å; G443-D447 VanDerWaalsContact O-N 3.15Å |
| 444 | Y | 76.8 | Confident | 78 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 13% | 0.129 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 176.9 | 178.9 | -99.3 | 0 | 0 | 0 | 111.9 | K446 D447 Q448 V733 S736 F738 H739 | Y444-K446 VanDerWaalsContact C-N 3.31Å; Y444-K446 PolarHBondContact O-N 3.11Å; Y444-D447 PolarHBondContact O-N 3.07Å; Y444-Q448 VanDerWaalsContact O-CB 3.29Å; Y444-Q448 WeakPolarHBondContact O-CB 3.21Å; Y444-Q448 PolarHBondContact O-N 2.61Å; Y444-V733 HydrophobicContact CD2-CG1 4.37Å; Y444-V733 HydrophobicContact CE2-CG1 3.57Å; Y444-S736 WeakPolarHBondContact CD2-OG 3.49Å; Y444-F738 AromaticContact CD1-CD1 3.47Å; Y444-F738 HydrophobicContact CD1-CD1 3.47Å; Y444-F738 VanDerWaalsContact CD1-CD1 3.47Å; Y444-F738 AromaticContact CD1-CE1 3.48Å; Y444-F738 HydrophobicContact CD1-CE1 3.48Å; Y444-F738 VanDerWaalsContact CD1-CE1 3.48Å; Y444-F738 HydrophobicContact CD1-CG 4.26Å; Y444-F738 HydrophobicContact CD1-CZ 4.26Å; Y444-F738 HydrophobicContact CD2-CB 4.03Å; Y444-F738 AromaticContact CD2-CD1 3.6Å; Y444-F738 HydrophobicContact CD2-CD1 3.6Å; Y444-F738 HydrophobicContact CD2-CE1 4.42Å; Y444-F738 HydrophobicContact CD2-CG 4.11Å; Y444-F738 AromaticContact CE1-CD1 3.86Å; Y444-F738 HydrophobicContact CE1-CD1 3.86Å; Y444-F738 AromaticContact CE1-CE1 3.73Å; Y444-F738 HydrophobicContact CE1-CE1 3.73Å; Y444-F738 AromaticContact CE2-CD1 3.95Å; Y444-F738 HydrophobicContact CE2-CD1 3.95Å; Y444-F738 HydrophobicContact CG-CB 4.08Å; Y444-F738 AromaticContact CG-CD1 3.33Å; Y444-F738 HydrophobicContact CG-CD1 3.33Å; Y444-F738 AromaticContact CG-CE1 3.86Å; Y444-F738 HydrophobicContact CG-CE1 3.86Å; Y444-F738 AromaticContact CG-CG 3.78Å; Y444-F738 HydrophobicContact CG-CG 3.78Å; Y444-H739 HydrophobicContact CE2-CB 4.34Å |
| 445 | K | 79.3 | Confident | 78.5 | Confident | 112 Ų | 112 | 75.3 Ų | 75.3 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 178.2 | -162.8 | 168.7 | -172.2 | 169.7 | 0 | 112.6 | D441 G443 Q448 D449 | D441-K445 VanDerWaalsContact O-CB 3.23Å; D441-K445 WeakPolarHBondContact O-CB 3.41Å; D441-K445 PolarHBondContact O-N 3.46Å; D441-K445 VanDerWaalsContact O-N 3.15Å; G443-K445 PolarHBondContact O-N 3.34Å; K445-Q448 PolarHBondContact O-N 2.96Å; K445-D449 VanDerWaalsContact O-CB 3.27Å; K445-D449 WeakPolarHBondContact O-CB 3.31Å; K445-D449 PolarHBondContact O-N 3.38Å |
| 446 | K | 81.1 | Confident | 79 | Confident | 151 Ų | 151 | 75.1 Ų | 75.1 | 66% | 0.657 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | 174.4 | -75.4 | 176.4 | -178.6 | -179 | 0 | 112.7 | S442 G443 Y444 Q448 A450 | S442-K446 WeakPolarHBondContact O-CG 3.43Å; G443-K446 PolarHBondContact O-N 3.13Å; Y444-K446 VanDerWaalsContact C-N 3.31Å; Y444-K446 PolarHBondContact O-N 3.11Å; K446-Q448 VanDerWaalsContact C-N 3.34Å; K446-A450 VanDerWaalsContact O-CB 3.27Å; K446-A450 WeakPolarHBondContact O-CB 3.4Å; K446-A450 PolarHBondContact O-N 2.82Å |
| 447 | D | 81.4 | Confident | 79.7 | Confident | 36 Ų | 36 | 73.3 Ų | 73.3 | 19% | 0.193 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.4 | -33.9 | 178.3 | -74.3 | -31.1 | 0 | 0 | 0 | 111.2 | G443 Y444 A450 L451 K732 V733 | G443-D447 PolarHBondContact O-N 3.12Å; G443-D447 VanDerWaalsContact O-N 3.15Å; Y444-D447 PolarHBondContact O-N 3.07Å; D447-A450 PolarHBondContact O-N 2.97Å; D447-L451 WeakPolarHBondContact O-CB 3.47Å; D447-L451 PolarHBondContact O-N 2.78Å; D447-K732 IonicContact OD1-NZ 3.68Å; D447-K732 PolarHBondContact OD1-NZ 3.24Å; D447-K732 IonicContact OD2-NZ 3.5Å; D447-K732 PolarHBondContact OD2-NZ 3.25Å; D447-V733 HydrophobicContact CB-CG2 3.93Å |
| 448 | Q | 82.7 | Confident | 80.6 | Confident | 82 Ų | 82 | 74.5 Ų | 74.5 | 38% | 0.383 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.9 | -43.5 | 174.3 | -170.5 | 175.3 | 11.1 | 0 | 0 | 112.3 | Y444 K445 K446 A450 L451 Q452 | Y444-Q448 VanDerWaalsContact O-CB 3.29Å; Y444-Q448 WeakPolarHBondContact O-CB 3.21Å; Y444-Q448 PolarHBondContact O-N 2.61Å; K445-Q448 PolarHBondContact O-N 2.96Å; K446-Q448 VanDerWaalsContact C-N 3.34Å; Q448-A450 VanDerWaalsContact C-N 3.31Å; Q448-A450 PolarHBondContact O-N 2.7Å; Q448-L451 PolarHBondContact O-N 3.2Å; Q448-Q452 WeakPolarHBondContact O-CB 3.48Å; Q448-Q452 PolarHBondContact O-N 3.29Å |
| 449 | D | 85.8 | Confident | 81.4 | Confident | 90 Ų | 90 | 71.6 Ų | 71.6 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 173.9 | -70.9 | -22.9 | 0 | 0 | 0 | 110.6 | K445 Q452 A453 | K445-D449 VanDerWaalsContact O-CB 3.27Å; K445-D449 WeakPolarHBondContact O-CB 3.31Å; K445-D449 PolarHBondContact O-N 3.38Å; D449-Q452 PolarHBondContact O-N 3.33Å; D449-A453 VanDerWaalsContact O-CB 3.31Å; D449-A453 WeakPolarHBondContact O-CB 3.5Å; D449-A453 PolarHBondContact O-N 3.5Å |
| 450 | A | 85.2 | Confident | 82.4 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K446 D447 Q448 Q452 A453 A454 L729 | K446-A450 VanDerWaalsContact O-CB 3.27Å; K446-A450 WeakPolarHBondContact O-CB 3.4Å; K446-A450 PolarHBondContact O-N 2.82Å; D447-A450 PolarHBondContact O-N 2.97Å; Q448-A450 VanDerWaalsContact C-N 3.31Å; Q448-A450 PolarHBondContact O-N 2.7Å; A450-Q452 VanDerWaalsContact C-N 3.34Å; A450-Q452 PolarHBondContact O-N 3.12Å; A450-A453 PolarHBondContact O-N 3.37Å; A450-A454 WeakPolarHBondContact O-CB 3.13Å; A450-A454 PolarHBondContact O-N 3.25Å; A450-L729 HydrophobicContact CB-CD1 4.26Å; A450-L729 HydrophobicContact CB-CD2 4.33Å |
| 451 | L | 88.1 | Confident | 83.5 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174.5 | 178.4 | 63.5 | 0 | 0 | 0 | 111.4 | D447 Q448 A454 R455 E726 L729 Q730 V733 | D447-L451 WeakPolarHBondContact O-CB 3.47Å; D447-L451 PolarHBondContact O-N 2.78Å; Q448-L451 PolarHBondContact O-N 3.2Å; L451-A454 PolarHBondContact O-N 3.07Å; L451-R455 WeakPolarHBondContact O-CB 3.41Å; L451-R455 WeakPolarHBondContact O-CG 3.43Å; L451-R455 PolarHBondContact O-N 3.38Å; L451-E726 HydrophobicContact CD1-CG 3.68Å; L451-E726 WeakPolarHBondContact CD1-O 3.32Å; L451-L729 HydrophobicContact CB-CB 4.26Å; L451-L729 HydrophobicContact CD1-CB 3.91Å; L451-Q730 HydrophobicContact CD1-CB 4.05Å; L451-Q730 HydrophobicContact CD2-CB 4.4Å; L451-V733 HydrophobicContact CD2-CG2 4.39Å |
| 452 | Q | 88.2 | Confident | 84.5 | Confident | 128 Ų | 128 | 69.4 Ų | 69.4 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.5 | -36.9 | 177.9 | -170.9 | 164.2 | -2.5 | 0 | 0 | 112.1 | Q448 D449 A450 R455 S456 | Q448-Q452 WeakPolarHBondContact O-CB 3.48Å; Q448-Q452 PolarHBondContact O-N 3.29Å; D449-Q452 PolarHBondContact O-N 3.33Å; A450-Q452 VanDerWaalsContact C-N 3.34Å; A450-Q452 PolarHBondContact O-N 3.12Å; Q452-R455 PolarHBondContact O-N 2.96Å; Q452-S456 WeakPolarHBondContact O-CB 3.48Å; Q452-S456 PolarHBondContact O-N 2.96Å; Q452-S456 PolarHBondContact O-OG 3.05Å |
| 453 | A | 88.6 | Confident | 85.4 | Confident | 51 Ų | 51 | 67.6 Ų | 67.6 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D449 A450 S456 S457 | D449-A453 VanDerWaalsContact O-CB 3.31Å; D449-A453 WeakPolarHBondContact O-CB 3.5Å; D449-A453 PolarHBondContact O-N 3.5Å; A450-A453 PolarHBondContact O-N 3.37Å; A453-S456 PolarHBondContact O-N 3.47Å; A453-S456 PolarHBondContact O-OG 3.06Å; A453-S457 WeakPolarHBondContact O-CB 3.43Å; A453-S457 PolarHBondContact O-N 3Å; A453-S457 PolarHBondContact O-OG 2.99Å |
| 454 | A | 87.7 | Confident | 86.1 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 2% | 0.017 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A450 L451 S456 S457 R458 L729 | A450-A454 WeakPolarHBondContact O-CB 3.13Å; A450-A454 PolarHBondContact O-N 3.25Å; L451-A454 PolarHBondContact O-N 3.07Å; A454-S456 PolarHBondContact O-N 3.44Å; A454-S457 WeakPolarHBondContact O-CB 3.49Å; A454-S457 PolarHBondContact O-N 3.08Å; A454-R458 PolarHBondContact O-N 3.29Å; A454-L729 HydrophobicContact CB-CD1 4Å |
| 455 | R | 89.7 | Confident | 86.5 | Confident | 93 Ų | 93 | 66.3 Ų | 66.3 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.6 | -51 | 173.7 | -81.4 | 176.5 | 176.8 | 173.9 | 4.2 | 112.9 | L451 Q452 S457 R458 E459 E726 | L451-R455 WeakPolarHBondContact O-CB 3.41Å; L451-R455 WeakPolarHBondContact O-CG 3.43Å; L451-R455 PolarHBondContact O-N 3.38Å; Q452-R455 PolarHBondContact O-N 2.96Å; R455-S457 PolarHBondContact O-N 3.5Å; R455-R458 WeakPolarHBondContact O-CB 3.43Å; R455-R458 PolarHBondContact O-N 3.36Å; R455-E459 WeakPolarHBondContact O-CG 3.46Å; R455-E459 PolarHBondContact O-N 2.8Å; R455-E726 HydrophobicContact CG-CG 3.88Å; R455-E726 WeakPolarHBondContact CG-OE1 3.48Å; R455-E726 IonicContact CZ-OE1 3.27Å; R455-E726 IonicContact NE-OE1 3.93Å; R455-E726 PolarHBondContact NE-OE1 2.86Å; R455-E726 IonicContact NH2-OE1 3.92Å |
| 456 | S | 88.2 | Confident | 86.7 | Confident | 46 Ų | 46 | 64.1 Ų | 64.1 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.8 | -30.3 | 180 | 73.6 | 0 | 0 | 0 | 0 | 112.7 | Q452 A453 A454 K460 | Q452-S456 WeakPolarHBondContact O-CB 3.48Å; Q452-S456 PolarHBondContact O-N 2.96Å; Q452-S456 PolarHBondContact O-OG 3.05Å; A453-S456 PolarHBondContact O-N 3.47Å; A453-S456 PolarHBondContact O-OG 3.06Å; A454-S456 PolarHBondContact O-N 3.44Å; S456-K460 WeakPolarHBondContact O-CD 3.44Å; S456-K460 VanDerWaalsContact O-CG 3.24Å; S456-K460 WeakPolarHBondContact O-CG 3.33Å; S456-K460 PolarHBondContact O-N 3.07Å |
| 457 | S | 87 | Confident | 87 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -75 | -40.3 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | A453 A454 R455 K460 L461 | A453-S457 WeakPolarHBondContact O-CB 3.43Å; A453-S457 PolarHBondContact O-N 3Å; A453-S457 PolarHBondContact O-OG 2.99Å; A454-S457 WeakPolarHBondContact O-CB 3.49Å; A454-S457 PolarHBondContact O-N 3.08Å; R455-S457 PolarHBondContact O-N 3.5Å; S457-K460 PolarHBondContact O-N 3.32Å; S457-L461 VanDerWaalsContact O-CG 3.3Å; S457-L461 WeakPolarHBondContact O-CG 3.35Å; S457-L461 PolarHBondContact O-N 3.4Å |
| 458 | R | 90.8 | Very high | 87 | Confident | 41 Ų | 41 | 65.8 Ų | 65.8 | 16% | 0.155 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 173 | -173.4 | -163.1 | 66 | 69.8 | 5.8 | 111.1 | A454 R455 K460 L461 E462 H719 K722 E726 | A454-R458 PolarHBondContact O-N 3.29Å; R455-R458 WeakPolarHBondContact O-CB 3.43Å; R455-R458 PolarHBondContact O-N 3.36Å; R458-K460 VanDerWaalsContact C-N 3.31Å; R458-K460 PolarHBondContact O-N 3.25Å; R458-L461 CarbonylContact O-C 3.56Å; R458-L461 WeakPolarHBondContact O-CB 3.31Å; R458-L461 PolarHBondContact O-N 3.44Å; R458-L461 VanDerWaalsContact O-N 3.08Å; R458-E462 IonicContact CZ-OE2 2.85Å; R458-E462 IonicContact NH1-OE1 3.52Å; R458-E462 IonicContact NH1-OE2 3.78Å; R458-E462 PolarHBondContact NH1-OE2 3.25Å; R458-E462 IonicContact NH2-OE2 2.8Å; R458-E462 WeakPolarHBondContact O-CB 3.49Å; R458-E462 PolarHBondContact O-N 2.96Å; R458-H719 WeakPolarHBondContact CG-NE2 3.28Å; R458-K722 HydrophobicContact CB-CB 4.37Å; R458-E726 WeakPolarHBondContact CD-OE2 3.42Å; R458-E726 IonicContact NE-OE2 3.5Å; R458-E726 PolarHBondContact NE-OE2 2.79Å |
| 459 | E | 88.3 | Confident | 86.7 | Confident | 110 Ų | 110 | 69.1 Ų | 69.1 | 51% | 0.514 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | 178.4 | -72.7 | 174.1 | 179.6 | 0 | 0 | 112.6 | R455 E462 A463 | R455-E459 WeakPolarHBondContact O-CG 3.46Å; R455-E459 PolarHBondContact O-N 2.8Å; E459-E462 PolarHBondContact O-N 2.95Å; E459-A463 WeakPolarHBondContact O-CB 3.43Å; E459-A463 PolarHBondContact O-N 3.27Å |
| 460 | K | 89.7 | Confident | 86.6 | Confident | 153 Ų | 153 | 66.2 Ų | 66.2 | 67% | 0.665 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.6 | -40 | 173.6 | -75.7 | 170.4 | -174.1 | 172.7 | 0 | 112.3 | S456 S457 R458 G464 | S456-K460 WeakPolarHBondContact O-CD 3.44Å; S456-K460 VanDerWaalsContact O-CG 3.24Å; S456-K460 WeakPolarHBondContact O-CG 3.33Å; S456-K460 PolarHBondContact O-N 3.07Å; S457-K460 PolarHBondContact O-N 3.32Å; R458-K460 VanDerWaalsContact C-N 3.31Å; R458-K460 PolarHBondContact O-N 3.25Å; K460-G464 PolarHBondContact O-N 3.09Å |
| 461 | L | 88.9 | Confident | 86.3 | Confident | 25 Ų | 25 | 70.5 Ų | 70.5 | 13% | 0.131 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.3 | -39.4 | 177.5 | -70.4 | 167.2 | 0 | 0 | 0 | 111.5 | S457 R458 G464 L465 L715 Q718 H719 K722 | S457-L461 VanDerWaalsContact O-CG 3.3Å; S457-L461 WeakPolarHBondContact O-CG 3.35Å; S457-L461 PolarHBondContact O-N 3.4Å; R458-L461 CarbonylContact O-C 3.56Å; R458-L461 WeakPolarHBondContact O-CB 3.31Å; R458-L461 PolarHBondContact O-N 3.44Å; R458-L461 VanDerWaalsContact O-N 3.08Å; L461-G464 CarbonylContact O-C 3.47Å; L461-G464 WeakPolarHBondContact O-CA 3.36Å; L461-G464 PolarHBondContact O-N 3.29Å; L461-G464 VanDerWaalsContact O-N 3.11Å; L461-L465 WeakPolarHBondContact O-CG 3.44Å; L461-L465 PolarHBondContact O-N 2.99Å; L461-L715 HydrophobicContact CD2-CD2 3.59Å; L461-Q718 HydrophobicContact CD1-CB 4.01Å; L461-Q718 HydrophobicContact CD2-CB 4.12Å; L461-H719 HydrophobicContact CB-CB 4.16Å; L461-K722 HydrophobicContact CD1-CB 4.33Å; L461-K722 HydrophobicContact CD1-CG 3.83Å |
| 462 | E | 87.4 | Confident | 85.8 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.4 | -173.6 | 173.3 | -156.1 | 0 | 0 | 111.5 | R458 E459 G464 L465 A466 | R458-E462 IonicContact CZ-OE2 2.85Å; R458-E462 IonicContact NH1-OE1 3.52Å; R458-E462 IonicContact NH1-OE2 3.78Å; R458-E462 PolarHBondContact NH1-OE2 3.25Å; R458-E462 IonicContact NH2-OE2 2.8Å; R458-E462 WeakPolarHBondContact O-CB 3.49Å; R458-E462 PolarHBondContact O-N 2.96Å; E459-E462 PolarHBondContact O-N 2.95Å; E462-G464 PolarHBondContact O-N 3.1Å; E462-L465 PolarHBondContact O-N 3.39Å; E462-A466 PolarHBondContact O-N 3.44Å |
| 463 | A | 86.9 | Confident | 85.4 | Confident | 47 Ų | 47 | 71.5 Ų | 71.5 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.1 | -31.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E459 K467 | E459-A463 WeakPolarHBondContact O-CB 3.43Å; E459-A463 PolarHBondContact O-N 3.27Å; A463-K467 VanDerWaalsContact O-CG 3.28Å; A463-K467 WeakPolarHBondContact O-CG 3.45Å; A463-K467 PolarHBondContact O-N 3.05Å; A463-K467 VanDerWaalsContact O-N 3.13Å |
| 464 | G | 86.1 | Confident | 85.2 | Confident | 18 Ų | 18 | 73.1 Ų | 73.1 | 19% | 0.186 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K460 L461 E462 K467 | K460-G464 PolarHBondContact O-N 3.09Å; L461-G464 CarbonylContact O-C 3.47Å; L461-G464 WeakPolarHBondContact O-CA 3.36Å; L461-G464 PolarHBondContact O-N 3.29Å; L461-G464 VanDerWaalsContact O-N 3.11Å; E462-G464 PolarHBondContact O-N 3.1Å; G464-K467 PolarHBondContact O-N 3.44Å |
| 465 | L | 85.1 | Confident | 85.1 | Confident | 23 Ų | 23 | 74.9 Ų | 74.9 | 12% | 0.12 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 174.4 | -73.1 | 167.4 | 0 | 0 | 0 | 111.4 | L461 E462 K467 L468 Y712 L715 K716 H719 | L461-L465 WeakPolarHBondContact O-CG 3.44Å; L461-L465 PolarHBondContact O-N 2.99Å; E462-L465 PolarHBondContact O-N 3.39Å; L465-K467 VanDerWaalsContact C-N 3.3Å; L465-K467 PolarHBondContact O-N 3.44Å; L465-L468 PolarHBondContact O-N 3.36Å; L465-Y712 HydrophobicContact CB-CE2 4.46Å; L465-Y712 HydrophobicContact CD2-CD2 3.61Å; L465-Y712 HydrophobicContact CD2-CE2 3.64Å; L465-Y712 HydrophobicContact CD2-CG 4.18Å; L465-L715 HydrophobicContact CD2-CB 3.69Å; L465-L715 HydrophobicContact CG-CB 4.13Å; L465-K716 HydrophobicContact CD2-CB 4.11Å; L465-H719 HydrophobicContact CD1-CB 3.91Å |
| 466 | A | 83.3 | Confident | 84.9 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 55% | 0.554 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.2 | -35.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E462 L468 N469 | E462-A466 PolarHBondContact O-N 3.44Å; A466-L468 VanDerWaalsContact C-N 3.25Å; A466-L468 PolarHBondContact O-N 3.44Å; A466-N469 PolarHBondContact O-N 3.33Å; A466-N469 PolarHBondContact O-OD1 2.84Å; A466-N469 VanDerWaalsContact O-OD1 3.14Å |
| 467 | K | 87.2 | Confident | 84.9 | Confident | 177 Ų | 177 | 78 Ų | 78 | 77% | 0.77 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -66.6 | -22.2 | 177.2 | -79.4 | 174.9 | -175.6 | -179.2 | 0 | 114.4 | A463 G464 L465 N469 | A463-K467 VanDerWaalsContact O-CG 3.28Å; A463-K467 WeakPolarHBondContact O-CG 3.45Å; A463-K467 PolarHBondContact O-N 3.05Å; A463-K467 VanDerWaalsContact O-N 3.13Å; G464-K467 PolarHBondContact O-N 3.44Å; L465-K467 VanDerWaalsContact C-N 3.3Å; L465-K467 PolarHBondContact O-N 3.44Å; K467-N469 VanDerWaalsContact C-N 3.32Å |
| 468 | L | 82.4 | Confident | 85 | Confident | 45 Ų | 45 | 76.8 Ų | 76.8 | 24% | 0.236 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.4 | -177.6 | -76.8 | 167.5 | 0 | 0 | 0 | 113.4 | L465 A466 Y470 K711 L715 | L465-L468 PolarHBondContact O-N 3.36Å; A466-L468 VanDerWaalsContact C-N 3.25Å; A466-L468 PolarHBondContact O-N 3.44Å; L468-Y470 PolarHBondContact O-N 2.82Å; L468-K711 HydrophobicContact CD1-CB 4.35Å; L468-K711 HydrophobicContact CD2-CB 4.49Å; L468-L715 HydrophobicContact CD1-CD1 3.51Å |
| 469 | N | 76.1 | Confident | 84.9 | Confident | 151 Ų | 151 | 77.2 Ų | 77.2 | 81% | 0.807 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44 | 36.4 | 179.1 | -73.6 | -13.7 | 0 | 0 | 0 | 113.6 | A466 K467 | A466-N469 PolarHBondContact O-N 3.33Å; A466-N469 PolarHBondContact O-OD1 2.84Å; A466-N469 VanDerWaalsContact O-OD1 3.14Å; K467-N469 VanDerWaalsContact C-N 3.32Å |
| 470 | Y | 83.1 | Confident | 85 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 12% | 0.118 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -100.3 | 124.2 | -178.3 | 178.7 | -96.6 | 0 | 0 | 0 | 109.6 | L468 E475 L705 A709 Y712 | L468-Y470 PolarHBondContact O-N 2.82Å; Y470-E475 WeakPolarHBondContact OH-CB 3.43Å; Y470-E475 PolarHBondContact OH-N 2.83Å; Y470-L705 HydrophobicContact CD2-CD2 4.16Å; Y470-L705 HydrophobicContact CE2-CD2 4.14Å; Y470-A709 HydrophobicContact CE2-CB 3.81Å; Y470-Y712 AromaticContact CD1-CD1 3.56Å; Y470-Y712 HydrophobicContact CD1-CD1 3.56Å; Y470-Y712 AromaticContact CD1-CD2 3.85Å; Y470-Y712 HydrophobicContact CD1-CD2 3.85Å; Y470-Y712 AromaticContact CD1-CE1 3.96Å; Y470-Y712 HydrophobicContact CD1-CE1 3.96Å; Y470-Y712 HydrophobicContact CD1-CE2 4.21Å; Y470-Y712 AromaticContact CD1-CG 3.5Å; Y470-Y712 HydrophobicContact CD1-CG 3.5Å; Y470-Y712 VanDerWaalsContact CD1-CG 3.5Å; Y470-Y712 AromaticContact CE1-CD1 3.89Å; Y470-Y712 HydrophobicContact CE1-CD1 3.89Å; Y470-Y712 HydrophobicContact CE1-CE1 4.3Å; Y470-Y712 HydrophobicContact CE1-CG 4.23Å; Y470-Y712 HydrophobicContact CG-CD2 4.32Å; Y470-Y712 HydrophobicContact CG-CG 4.16Å |
| 471 | E | 78.8 | Confident | 85.1 | Confident | 126 Ų | 126 | 71.3 Ų | 71.3 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 125 | 176.5 | -69.5 | 167 | 152.7 | 0 | 0 | 110 | G473 K474 | E471-G473 PolarHBondContact O-N 3.32Å; E471-K474 HydrophobicContact CB-CB 4.22Å; E471-K474 HydrophobicContact CB-CD 4.35Å; E471-K474 VanDerWaalsContact O-CB 3.29Å; E471-K474 WeakPolarHBondContact O-CB 3.27Å; E471-K474 PolarHBondContact O-N 2.94Å; E471-K474 IonicContact OE2-NZ 3.52Å; E471-K474 PolarHBondContact OE2-NZ 3.38Å; E471-K474 VanDerWaalsContact OE2-NZ 3.12Å |
| 472 | E | 78.8 | Confident | 85.3 | Confident | 132 Ų | 132 | 74.6 Ų | 74.6 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 130.7 | 177.1 | -173.5 | 163.9 | -169.4 | 0 | 0 | 110.7 | K716 | E472-K716 IonicContact OE1-NZ 3.72Å; E472-K716 PolarHBondContact OE1-NZ 3.34Å; E472-K716 IonicContact OE2-NZ 3.63Å; E472-K716 PolarHBondContact OE2-NZ 3.36Å |
| 473 | G | 79.1 | Confident | 85.5 | Confident | 30 Ų | 30 | 76.5 Ų | 76.5 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | -5.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | E471 E476 S477 | E471-G473 PolarHBondContact O-N 3.32Å; G473-E476 PolarHBondContact O-N 3.32Å; G473-S477 PolarHBondContact O-N 3.37Å |
| 474 | K | 84.4 | Confident | 85.7 | Confident | 85 Ų | 85 | 78.8 Ų | 78.8 | 37% | 0.37 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 178.4 | -170.2 | 170.6 | -168.4 | 154.6 | 0 | 113.3 | E471 E476 S477 L478 | E471-K474 HydrophobicContact CB-CB 4.22Å; E471-K474 HydrophobicContact CB-CD 4.35Å; E471-K474 VanDerWaalsContact O-CB 3.29Å; E471-K474 WeakPolarHBondContact O-CB 3.27Å; E471-K474 PolarHBondContact O-N 2.94Å; E471-K474 IonicContact OE2-NZ 3.52Å; E471-K474 PolarHBondContact OE2-NZ 3.38Å; E471-K474 VanDerWaalsContact OE2-NZ 3.12Å; K474-E476 VanDerWaalsContact C-N 3.31Å; K474-E476 PolarHBondContact O-N 3.41Å; K474-S477 PolarHBondContact O-N 3.43Å; K474-S477 PolarHBondContact O-OG 3.41Å; K474-L478 HydrophobicContact CG-CD1 4.47Å; K474-L478 WeakPolarHBondContact O-CG 3.44Å; K474-L478 PolarHBondContact O-N 3.08Å |
| 475 | E | 85.8 | Confident | 86 | Confident | 39 Ų | 39 | 79 Ų | 79 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 173.4 | 179.1 | -177.7 | -161 | 0 | 0 | 111.5 | Y470 L478 L479 A709 R713 | Y470-E475 WeakPolarHBondContact OH-CB 3.43Å; Y470-E475 PolarHBondContact OH-N 2.83Å; E475-L478 PolarHBondContact O-N 2.97Å; E475-L479 HydrophobicContact CG-CD1 4.02Å; E475-L479 HydrophobicContact CG-CG 4.48Å; E475-L479 WeakPolarHBondContact O-CB 3.3Å; E475-L479 VanDerWaalsContact O-CG 3.25Å; E475-L479 WeakPolarHBondContact O-CG 3.35Å; E475-L479 PolarHBondContact O-N 3.18Å; E475-A709 WeakPolarHBondContact OE2-CB 3.32Å; E475-R713 IonicContact OE1-NH2 3.47Å; E475-R713 IonicContact OE2-NH2 3.84Å; E475-R713 PolarHBondContact OE2-NH2 2.89Å |
| 476 | E | 85.7 | Confident | 86.4 | Confident | 147 Ų | 147 | 80.7 Ų | 80.7 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 178.5 | -65.7 | -179.2 | 173.6 | 0 | 0 | 111.8 | G473 K474 L478 L479 E480 | G473-E476 PolarHBondContact O-N 3.32Å; K474-E476 VanDerWaalsContact C-N 3.31Å; K474-E476 PolarHBondContact O-N 3.41Å; E476-L478 PolarHBondContact O-N 3.48Å; E476-L479 PolarHBondContact O-N 3.29Å; E476-E480 PolarHBondContact O-N 3.03Å |
| 477 | S | 87.7 | Confident | 86.8 | Confident | 58 Ų | 58 | 84.9 Ų | 84.9 | 41% | 0.406 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.9 | 75.9 | 0 | 0 | 0 | 0 | 112.5 | G473 K474 E480 N481 | G473-S477 PolarHBondContact O-N 3.37Å; K474-S477 PolarHBondContact O-N 3.43Å; K474-S477 PolarHBondContact O-OG 3.41Å; S477-E480 PolarHBondContact O-N 2.96Å; S477-N481 VanDerWaalsContact O-CG 3.28Å; S477-N481 PolarHBondContact O-N 2.89Å |
| 478 | L | 89.6 | Confident | 87 | Confident | 14 Ų | 14 | 80.1 Ų | 80.1 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72 | -35.1 | 177.9 | -71 | 174.7 | 0 | 0 | 0 | 112.1 | K474 E475 E476 E480 N481 R482 V698 Q701 L702 L705 | K474-L478 HydrophobicContact CG-CD1 4.47Å; K474-L478 WeakPolarHBondContact O-CG 3.44Å; K474-L478 PolarHBondContact O-N 3.08Å; E475-L478 PolarHBondContact O-N 2.97Å; E476-L478 PolarHBondContact O-N 3.48Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-N481 PolarHBondContact O-N 3.15Å; L478-R482 WeakPolarHBondContact O-CB 3.42Å; L478-R482 PolarHBondContact O-N 2.96Å; L478-V698 HydrophobicContact CD2-CG1 4.41Å; L478-Q701 HydrophobicContact CD1-CB 4.33Å; L478-L702 HydrophobicContact CB-CD1 4.47Å; L478-L702 HydrophobicContact CB-CD2 3.59Å; L478-L702 HydrophobicContact CB-CG 3.92Å; L478-L702 HydrophobicContact CD1-CD2 4.43Å; L478-L705 HydrophobicContact CD1-CD1 3.27Å |
| 479 | L | 89.4 | Confident | 87.5 | Confident | 49 Ų | 49 | 78.7 Ų | 78.7 | 26% | 0.257 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 172.9 | -78.3 | 171.2 | 0 | 0 | 0 | 111.9 | E475 E476 R483 L702 | E475-L479 HydrophobicContact CG-CD1 4.02Å; E475-L479 HydrophobicContact CG-CG 4.48Å; E475-L479 WeakPolarHBondContact O-CB 3.3Å; E475-L479 VanDerWaalsContact O-CG 3.25Å; E475-L479 WeakPolarHBondContact O-CG 3.35Å; E475-L479 PolarHBondContact O-N 3.18Å; E476-L479 PolarHBondContact O-N 3.29Å; L479-R483 WeakPolarHBondContact O-CG 3.46Å; L479-R483 PolarHBondContact O-N 3.16Å; L479-R483 VanDerWaalsContact O-N 3.07Å; L479-L702 HydrophobicContact CD2-CD1 4.06Å; L479-L702 HydrophobicContact CD2-CD2 4.23Å; L479-L702 HydrophobicContact CG-CD2 4.03Å |
| 480 | E | 90.4 | Very high | 88.3 | Confident | 69 Ų | 69 | 75 Ų | 75 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -71 | -43.1 | 175.2 | -168.1 | 55.7 | -149.9 | 0 | 0 | 111.6 | E476 S477 L478 R482 R483 Q484 | E476-E480 PolarHBondContact O-N 3.03Å; S477-E480 PolarHBondContact O-N 2.96Å; L478-E480 VanDerWaalsContact C-N 3.32Å; E480-R482 VanDerWaalsContact C-N 3.31Å; E480-R482 PolarHBondContact O-N 2.82Å; E480-R483 WeakPolarHBondContact O-CB 3.25Å; E480-R483 PolarHBondContact O-N 2.93Å; E480-R483 VanDerWaalsContact O-N 3.09Å; E480-R483 WeakPolarHBondContact OE2-CD 3.34Å; E480-R483 IonicContact OE2-NH1 2.69Å; E480-R483 PolarHBondContact OE2-NH1 3.35Å; E480-R483 VanDerWaalsContact OE2-NH1 3.1Å; E480-Q484 WeakPolarHBondContact O-CG 3.35Å; E480-Q484 PolarHBondContact O-N 3.17Å |
| 481 | N | 91.3 | Very high | 88.6 | Confident | 70 Ų | 70 | 79.4 Ų | 79.4 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 172.6 | -72.5 | -9.8 | 0 | 0 | 0 | 111.7 | S477 L478 R483 Q484 L485 | S477-N481 VanDerWaalsContact O-CG 3.28Å; S477-N481 PolarHBondContact O-N 2.89Å; L478-N481 PolarHBondContact O-N 3.15Å; N481-R483 VanDerWaalsContact C-N 3.34Å; N481-R483 PolarHBondContact O-N 3.32Å; N481-Q484 PolarHBondContact O-N 3.42Å; N481-L485 WeakPolarHBondContact O-CB 3.37Å; N481-L485 WeakPolarHBondContact O-CG 3.38Å; N481-L485 PolarHBondContact O-N 3.43Å |
| 482 | R | 93.9 | Very high | 89.2 | Confident | 95 Ų | 95 | 74.5 Ų | 74.5 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 174 | -172.9 | -175.1 | 64.8 | 149.4 | -1.8 | 111.5 | L478 E480 S486 L695 V698 E699 L702 | L478-R482 WeakPolarHBondContact O-CB 3.42Å; L478-R482 PolarHBondContact O-N 2.96Å; E480-R482 VanDerWaalsContact C-N 3.31Å; E480-R482 PolarHBondContact O-N 2.82Å; R482-S486 WeakPolarHBondContact O-CB 3.29Å; R482-S486 PolarHBondContact O-N 3.38Å; R482-L695 HydrophobicContact CG-CD1 3.76Å; R482-V698 HydrophobicContact CB-CG1 4Å; R482-E699 HydrophobicContact CG-CG 4.25Å; R482-L702 HydrophobicContact CB-CD1 4.06Å; R482-L702 HydrophobicContact CG-CD1 4.42Å |
| 483 | R | 90.7 | Very high | 89.8 | Confident | 135 Ų | 135 | 73.1 Ų | 73.1 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 177.2 | -74.5 | 170.2 | -178.3 | 166.4 | 1.9 | 111.7 | L479 E480 N481 R487 | L479-R483 WeakPolarHBondContact O-CG 3.46Å; L479-R483 PolarHBondContact O-N 3.16Å; L479-R483 VanDerWaalsContact O-N 3.07Å; E480-R483 WeakPolarHBondContact O-CB 3.25Å; E480-R483 PolarHBondContact O-N 2.93Å; E480-R483 VanDerWaalsContact O-N 3.09Å; E480-R483 WeakPolarHBondContact OE2-CD 3.34Å; E480-R483 IonicContact OE2-NH1 2.69Å; E480-R483 PolarHBondContact OE2-NH1 3.35Å; E480-R483 VanDerWaalsContact OE2-NH1 3.1Å; N481-R483 VanDerWaalsContact C-N 3.34Å; N481-R483 PolarHBondContact O-N 3.32Å; R483-R487 VanDerWaalsContact O-CG 3.3Å; R483-R487 WeakPolarHBondContact O-CG 3.47Å; R483-R487 PolarHBondContact O-N 2.92Å |
| 484 | Q | 90.7 | Very high | 90.3 | Very high | 95 Ų | 95 | 76.9 Ų | 76.9 | 44% | 0.444 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.5 | -51 | 177.8 | -70.7 | -174.9 | 1.9 | 0 | 0 | 111.7 | E480 N481 S486 R487 Q488 | E480-Q484 WeakPolarHBondContact O-CG 3.35Å; E480-Q484 PolarHBondContact O-N 3.17Å; N481-Q484 PolarHBondContact O-N 3.42Å; Q484-S486 PolarHBondContact O-N 2.95Å; Q484-R487 PolarHBondContact O-N 3.36Å; Q484-Q488 WeakPolarHBondContact O-CG 3.22Å; Q484-Q488 PolarHBondContact O-N 3.39Å |
| 485 | L | 92.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 75.2 Ų | 75.2 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 177.7 | -74.7 | 169.9 | 0 | 0 | 0 | 111.7 | N481 R487 Q488 V489 K691 Q694 L695 V698 | N481-L485 WeakPolarHBondContact O-CB 3.37Å; N481-L485 WeakPolarHBondContact O-CG 3.38Å; N481-L485 PolarHBondContact O-N 3.43Å; L485-R487 VanDerWaalsContact C-N 3.34Å; L485-R487 PolarHBondContact O-N 3.14Å; L485-Q488 PolarHBondContact O-N 3.09Å; L485-V489 WeakPolarHBondContact O-CB 3.32Å; L485-V489 WeakPolarHBondContact O-CG2 3.18Å; L485-V489 PolarHBondContact O-N 3.49Å; L485-K691 HydrophobicContact CD2-CD 4.06Å; L485-Q694 HydrophobicContact CD1-CB 4.16Å; L485-Q694 HydrophobicContact CD2-CB 4.17Å; L485-L695 HydrophobicContact CB-CB 4.26Å; L485-L695 HydrophobicContact CB-CD1 3.89Å; L485-V698 HydrophobicContact CD1-CG2 3.89Å |
| 486 | S | 92.9 | Very high | 90.5 | Very high | 59 Ų | 59 | 76.4 Ų | 76.4 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 112.5 | R482 Q484 S490 | R482-S486 WeakPolarHBondContact O-CB 3.29Å; R482-S486 PolarHBondContact O-N 3.38Å; Q484-S486 PolarHBondContact O-N 2.95Å; S486-S490 WeakPolarHBondContact O-CB 3.33Å; S486-S490 PolarHBondContact O-N 2.91Å |
| 487 | R | 92.6 | Very high | 90.5 | Very high | 155 Ų | 155 | 75.1 Ų | 75.1 | 59% | 0.585 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | 173 | -74.7 | 174.3 | -174.4 | 162.9 | 4.3 | 111.7 | R483 Q484 L485 S490 Q491 | R483-R487 VanDerWaalsContact O-CG 3.3Å; R483-R487 WeakPolarHBondContact O-CG 3.47Å; R483-R487 PolarHBondContact O-N 2.92Å; Q484-R487 PolarHBondContact O-N 3.36Å; L485-R487 VanDerWaalsContact C-N 3.34Å; L485-R487 PolarHBondContact O-N 3.14Å; R487-S490 PolarHBondContact O-N 2.97Å; R487-Q491 WeakPolarHBondContact O-CB 3.28Å; R487-Q491 VanDerWaalsContact O-CG 3.27Å; R487-Q491 WeakPolarHBondContact O-CG 3.25Å; R487-Q491 PolarHBondContact O-N 2.93Å |
| 488 | Q | 90.8 | Very high | 90.4 | Very high | 77 Ų | 77 | 78.7 Ų | 78.7 | 36% | 0.36 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 178.2 | -72.5 | 178.2 | -0.9 | 0 | 0 | 111.6 | Q484 L485 Q491 L492 | Q484-Q488 WeakPolarHBondContact O-CG 3.22Å; Q484-Q488 PolarHBondContact O-N 3.39Å; L485-Q488 PolarHBondContact O-N 3.09Å; Q488-Q491 PolarHBondContact O-N 3.29Å; Q488-L492 WeakPolarHBondContact O-CB 3.26Å; Q488-L492 WeakPolarHBondContact O-CG 3.27Å; Q488-L492 PolarHBondContact O-N 2.73Å |
| 489 | V | 94.3 | Very high | 90.1 | Very high | 16 Ų | 16 | 79.2 Ų | 79.2 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 174.2 | 167.9 | 0 | 0 | 0 | 0 | 110.6 | L485 Q491 L492 K493 L688 K691 E692 L695 | L485-V489 WeakPolarHBondContact O-CB 3.32Å; L485-V489 WeakPolarHBondContact O-CG2 3.18Å; L485-V489 PolarHBondContact O-N 3.49Å; V489-Q491 VanDerWaalsContact C-N 3.32Å; V489-Q491 PolarHBondContact O-N 2.85Å; V489-L492 PolarHBondContact O-N 3.05Å; V489-K493 WeakPolarHBondContact O-CB 3.45Å; V489-K493 PolarHBondContact O-N 2.96Å; V489-L688 HydrophobicContact CB-CD1 4.48Å; V489-L688 HydrophobicContact CG1-CD1 3.97Å; V489-K691 HydrophobicContact CG2-CB 3.84Å; V489-E692 HydrophobicContact CB-CG 4.48Å; V489-E692 HydrophobicContact CG1-CG 3.66Å; V489-E692 HydrophobicContact CG2-CG 3.94Å; V489-L695 HydrophobicContact CG2-CD2 4.24Å |
| 490 | S | 91.6 | Very high | 89.6 | Confident | 74 Ų | 74 | 78.3 Ų | 78.3 | 52% | 0.517 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 178.3 | -171.1 | 0 | 0 | 0 | 0 | 112.5 | S486 R487 E494 | S486-S490 WeakPolarHBondContact O-CB 3.33Å; S486-S490 PolarHBondContact O-N 2.91Å; R487-S490 PolarHBondContact O-N 2.97Å; S490-E494 WeakPolarHBondContact O-CB 3.28Å; S490-E494 PolarHBondContact O-N 3.5Å |
| 491 | Q | 90.8 | Very high | 89.2 | Confident | 122 Ų | 122 | 78.8 Ų | 78.8 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.1 | -48.8 | 176.8 | -74.9 | 172.4 | -6.8 | 0 | 0 | 111.4 | R487 Q488 V489 K493 E494 T495 | R487-Q491 WeakPolarHBondContact O-CB 3.28Å; R487-Q491 VanDerWaalsContact O-CG 3.27Å; R487-Q491 WeakPolarHBondContact O-CG 3.25Å; R487-Q491 PolarHBondContact O-N 2.93Å; Q488-Q491 PolarHBondContact O-N 3.29Å; V489-Q491 VanDerWaalsContact C-N 3.32Å; V489-Q491 PolarHBondContact O-N 2.85Å; Q491-K493 VanDerWaalsContact C-N 3.3Å; Q491-K493 PolarHBondContact O-N 2.99Å; Q491-E494 PolarHBondContact O-N 2.79Å; Q491-T495 VanDerWaalsContact O-CG2 3.23Å; Q491-T495 WeakPolarHBondContact O-CG2 3.36Å; Q491-T495 PolarHBondContact O-N 3.07Å; Q491-T495 PolarHBondContact O-OG1 3.34Å |
| 492 | L | 90.9 | Very high | 88.6 | Confident | 23 Ų | 23 | 83.5 Ų | 83.5 | 12% | 0.12 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 177.8 | -75.3 | 170.8 | 0 | 0 | 0 | 111 | Q488 V489 T495 Y496 V684 R687 L688 K691 | Q488-L492 WeakPolarHBondContact O-CB 3.26Å; Q488-L492 WeakPolarHBondContact O-CG 3.27Å; Q488-L492 PolarHBondContact O-N 2.73Å; V489-L492 PolarHBondContact O-N 3.05Å; L492-T495 VanDerWaalsContact CA-OG1 3.32Å; L492-T495 WeakPolarHBondContact CA-OG1 3.45Å; L492-T495 PolarHBondContact O-N 2.97Å; L492-T495 PolarHBondContact O-OG1 2.87Å; L492-Y496 WeakPolarHBondContact O-CB 3.46Å; L492-Y496 PolarHBondContact O-N 3.21Å; L492-V684 HydrophobicContact CD2-CG1 4.35Å; L492-R687 HydrophobicContact CD1-CB 4.34Å; L492-L688 HydrophobicContact CB-CB 4.27Å; L492-L688 HydrophobicContact CB-CD1 3.81Å; L492-K691 HydrophobicContact CD1-CB 4.39Å; L492-K691 HydrophobicContact CD1-CG 4.01Å |
| 493 | K | 91.7 | Very high | 87.8 | Confident | 103 Ų | 103 | 81.4 Ų | 81.4 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 175.1 | -171 | 170.1 | -174.5 | 166.1 | 0 | 112.4 | V489 Q491 T495 Y496 E497 L688 | V489-K493 WeakPolarHBondContact O-CB 3.45Å; V489-K493 PolarHBondContact O-N 2.96Å; Q491-K493 VanDerWaalsContact C-N 3.3Å; Q491-K493 PolarHBondContact O-N 2.99Å; K493-T495 VanDerWaalsContact C-N 3.34Å; K493-Y496 PolarHBondContact O-N 3.19Å; K493-E497 PolarHBondContact O-N 2.62Å; K493-L688 HydrophobicContact CB-CD1 4.19Å; K493-L688 HydrophobicContact CB-CD2 4.36Å |
| 494 | E | 89.9 | Confident | 87 | Confident | 109 Ų | 109 | 78.1 Ų | 78.1 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 173.9 | -165.6 | -165.8 | 149.2 | 0 | 0 | 111.4 | S490 Q491 E497 R498 | S490-E494 WeakPolarHBondContact O-CB 3.28Å; S490-E494 PolarHBondContact O-N 3.5Å; Q491-E494 PolarHBondContact O-N 2.79Å; E494-E497 PolarHBondContact O-N 3.4Å; E494-R498 WeakPolarHBondContact O-CB 3.41Å; E494-R498 PolarHBondContact O-N 2.97Å; E494-R498 IonicContact OE1-CZ 2.79Å; E494-R498 IonicContact OE1-NH2 2.8Å; E494-R498 PolarHBondContact OE1-NH2 3.16Å |
| 495 | T | 86.7 | Confident | 86.3 | Confident | 50 Ų | 50 | 77.7 Ų | 77.7 | 31% | 0.307 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.7 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | Q491 L492 K493 R498 L499 V684 | Q491-T495 VanDerWaalsContact O-CG2 3.23Å; Q491-T495 WeakPolarHBondContact O-CG2 3.36Å; Q491-T495 PolarHBondContact O-N 3.07Å; Q491-T495 PolarHBondContact O-OG1 3.34Å; L492-T495 VanDerWaalsContact CA-OG1 3.32Å; L492-T495 WeakPolarHBondContact CA-OG1 3.45Å; L492-T495 PolarHBondContact O-N 2.97Å; L492-T495 PolarHBondContact O-OG1 2.87Å; K493-T495 VanDerWaalsContact C-N 3.34Å; T495-R498 PolarHBondContact O-N 3.2Å; T495-L499 WeakPolarHBondContact O-CB 3.5Å; T495-L499 VanDerWaalsContact O-CG 3.3Å; T495-L499 WeakPolarHBondContact O-CG 3.37Å; T495-L499 PolarHBondContact O-N 3.37Å; T495-V684 WeakPolarHBondContact OG1-CG1 3.26Å |
| 496 | Y | 87.6 | Confident | 85.7 | Confident | 64 Ų | 64 | 76.9 Ų | 76.9 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 174.7 | 176 | -99.5 | 0 | 0 | 0 | 111 | L492 K493 R498 L499 M500 V681 Q685 | L492-Y496 WeakPolarHBondContact O-CB 3.46Å; L492-Y496 PolarHBondContact O-N 3.21Å; K493-Y496 PolarHBondContact O-N 3.19Å; Y496-R498 VanDerWaalsContact C-N 3.32Å; Y496-R498 PolarHBondContact O-N 3.15Å; Y496-L499 PolarHBondContact O-N 2.83Å; Y496-M500 HydrophobicContact CD1-CG 4.31Å; Y496-M500 HydrophobicContact CD2-CG 4.33Å; Y496-M500 HydrophobicContact CE1-CG 3.91Å; Y496-M500 HydrophobicContact CE2-CG 3.92Å; Y496-M500 HydrophobicContact CE2-SD 4.47Å; Y496-M500 WeakPolarHBondContact O-CB 3.39Å; Y496-M500 WeakPolarHBondContact O-CG 3.44Å; Y496-M500 PolarHBondContact O-N 3.1Å; Y496-V681 HydrophobicContact CD2-CG1 4.11Å; Y496-V681 HydrophobicContact CE2-CG1 3.73Å; Y496-Q685 HydrophobicContact CD2-CB 4.25Å; Y496-Q685 HydrophobicContact CE2-CB 4.08Å; Y496-Q685 HydrophobicContact CE2-CG 4.37Å |
| 497 | E | 85.4 | Confident | 85.1 | Confident | 120 Ų | 120 | 81 Ų | 81 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -62.6 | -38.7 | 177.6 | -75.2 | -142.7 | -165.1 | 0 | 0 | 112.4 | K493 E494 M500 S501 | K493-E497 PolarHBondContact O-N 2.62Å; E494-E497 PolarHBondContact O-N 3.4Å; E497-M500 PolarHBondContact O-N 3.2Å; E497-S501 VanDerWaalsContact O-CB 3.26Å; E497-S501 WeakPolarHBondContact O-CB 3.44Å; E497-S501 PolarHBondContact O-N 3.39Å |
| 498 | R | 85.2 | Confident | 84.7 | Confident | 132 Ų | 132 | 75.2 Ų | 75.2 | 50% | 0.498 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.6 | -170.7 | -173.3 | -56.7 | 178.2 | 1.8 | 111.7 | E494 T495 Y496 S501 R502 | E494-R498 WeakPolarHBondContact O-CB 3.41Å; E494-R498 PolarHBondContact O-N 2.97Å; E494-R498 IonicContact OE1-CZ 2.79Å; E494-R498 IonicContact OE1-NH2 2.8Å; E494-R498 PolarHBondContact OE1-NH2 3.16Å; T495-R498 PolarHBondContact O-N 3.2Å; Y496-R498 VanDerWaalsContact C-N 3.32Å; Y496-R498 PolarHBondContact O-N 3.15Å; R498-S501 PolarHBondContact O-N 3.36Å; R498-S501 PolarHBondContact O-OG 2.62Å; R498-R502 PolarHBondContact O-N 3.24Å |
| 499 | L | 82.4 | Confident | 84.4 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 177 | -70.8 | 171.4 | 0 | 0 | 0 | 111.1 | T495 Y496 S501 R502 V681 V684 | T495-L499 WeakPolarHBondContact O-CB 3.5Å; T495-L499 VanDerWaalsContact O-CG 3.3Å; T495-L499 WeakPolarHBondContact O-CG 3.37Å; T495-L499 PolarHBondContact O-N 3.37Å; Y496-L499 PolarHBondContact O-N 2.83Å; L499-S501 VanDerWaalsContact C-N 3.3Å; L499-S501 PolarHBondContact O-N 3.17Å; L499-R502 WeakPolarHBondContact O-CB 3.33Å; L499-R502 PolarHBondContact O-N 2.76Å; L499-V681 HydrophobicContact CB-CG2 3.75Å; L499-V681 HydrophobicContact CD1-CG2 4.31Å; L499-V684 HydrophobicContact CD1-CG2 4.13Å |
| 500 | M | 80.4 | Confident | 84.1 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -34.4 | 175.5 | -76.6 | -65.4 | -64.5 | 0 | 0 | 112.9 | Y496 E497 R502 F503 R507 V681 | Y496-M500 HydrophobicContact CD1-CG 4.31Å; Y496-M500 HydrophobicContact CD2-CG 4.33Å; Y496-M500 HydrophobicContact CE1-CG 3.91Å; Y496-M500 HydrophobicContact CE2-CG 3.92Å; Y496-M500 HydrophobicContact CE2-SD 4.47Å; Y496-M500 WeakPolarHBondContact O-CB 3.39Å; Y496-M500 WeakPolarHBondContact O-CG 3.44Å; Y496-M500 PolarHBondContact O-N 3.1Å; E497-M500 PolarHBondContact O-N 3.2Å; M500-R502 VanDerWaalsContact C-N 3.25Å; M500-R502 PolarHBondContact O-N 3.12Å; M500-F503 CarbonylContact O-C 3.52Å; M500-F503 VanDerWaalsContact O-C 3.28Å; M500-F503 PolarHBondContact O-N 3.1Å; M500-F503 VanDerWaalsContact O-N 3.1Å; M500-R507 HydrophobicContact CE-CB 4.03Å; M500-R507 HydrophobicContact CE-CG 4.44Å; M500-V681 HydrophobicContact CG-CG1 4.36Å; M500-V681 HydrophobicContact SD-CG1 3.93Å |
| 501 | S | 81 | Confident | 83.9 | Confident | 80 Ų | 80 | 78.4 Ų | 78.4 | 56% | 0.559 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.8 | -27.8 | 177 | 77.4 | 0 | 0 | 0 | 0 | 113.2 | E497 R498 L499 F503 | E497-S501 VanDerWaalsContact O-CB 3.26Å; E497-S501 WeakPolarHBondContact O-CB 3.44Å; E497-S501 PolarHBondContact O-N 3.39Å; R498-S501 PolarHBondContact O-N 3.36Å; R498-S501 PolarHBondContact O-OG 2.62Å; L499-S501 VanDerWaalsContact C-N 3.3Å; L499-S501 PolarHBondContact O-N 3.17Å; S501-F503 VanDerWaalsContact C-N 3.26Å; S501-F503 PolarHBondContact O-N 3.08Å |
| 502 | R | 78.9 | Confident | 83.8 | Confident | 168 Ų | 168 | 75.7 Ų | 75.7 | 63% | 0.634 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70 | -24.7 | 174.8 | -67.5 | 174.4 | 173.5 | -179.5 | -3.8 | 112.3 | R498 L499 M500 P504 | R498-R502 PolarHBondContact O-N 3.24Å; L499-R502 WeakPolarHBondContact O-CB 3.33Å; L499-R502 PolarHBondContact O-N 2.76Å; M500-R502 VanDerWaalsContact C-N 3.25Å; M500-R502 PolarHBondContact O-N 3.12Å; R502-P504 WeakPolarHBondContact O-CD 3.39Å |
| 503 | F | 77.1 | Confident | 83.7 | Confident | 51 Ų | 51 | 75.4 Ų | 75.4 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | trans | -127 | 70.5 | -178.7 | -53.6 | -76.4 | 0 | 0 | 0 | 112.4 | M500 S501 N505 L506 I674 S677 | M500-F503 CarbonylContact O-C 3.52Å; M500-F503 VanDerWaalsContact O-C 3.28Å; M500-F503 PolarHBondContact O-N 3.1Å; M500-F503 VanDerWaalsContact O-N 3.1Å; S501-F503 VanDerWaalsContact C-N 3.26Å; S501-F503 PolarHBondContact O-N 3.08Å; F503-N505 PolarHBondContact O-N 3.32Å; F503-L506 HydrophobicContact CB-CB 4.3Å; F503-L506 HydrophobicContact CB-CD1 3.37Å; F503-L506 HydrophobicContact CB-CG 3.93Å; F503-L506 HydrophobicContact CD1-CD1 4.36Å; F503-L506 HydrophobicContact CD2-CD1 4.37Å; F503-L506 HydrophobicContact CG-CD1 3.81Å; F503-L506 PolarHBondContact O-N 3.46Å; F503-I674 HydrophobicContact CE1-CG1 4.42Å; F503-S677 WeakPolarHBondContact CZ-OG 3.47Å | ||
| 504 | P | 73.9 | Confident | 83.5 | Confident | 67 Ų | 67 | 74.8 Ų | 74.8 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -58.9 | -19.5 | -178.7 | -23 | 33.3 | 0 | 0 | 0 | 114.4 | R502 L506 R571 | R502-P504 WeakPolarHBondContact O-CD 3.39Å; P504-L506 VanDerWaalsContact C-N 3.32Å; P504-R571 PolarHBondContact O-NH1 3.47Å |
| 505 | N | 76.8 | Confident | 83.1 | Confident | 86 Ų | 86 | 81.8 Ų | 81.8 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -81.4 | -10.8 | -178.8 | -59.6 | -15.1 | 0 | 0 | 0 | 113.2 | F503 R507 Y550 R571 | F503-N505 PolarHBondContact O-N 3.32Å; N505-R507 VanDerWaalsContact C-N 3.34Å; N505-Y550 HydrophobicContact CB-CD1 4.15Å; N505-Y550 HydrophobicContact CB-CE1 3.83Å; N505-Y550 WeakPolarHBondContact O-CD1 3.21Å; N505-R571 PolarHBondContact OD1-NH1 2.99Å |
| 506 | L | 77.8 | Confident | 82.9 | Confident | 4 Ų | 4 | 83.4 Ų | 83.4 | 2% | 0.021 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -93.5 | 4.2 | 177.4 | -62 | 170 | 0 | 0 | 0 | 112.4 | F503 P504 L525 A527 Y550 I674 L678 | F503-L506 HydrophobicContact CB-CB 4.3Å; F503-L506 HydrophobicContact CB-CD1 3.37Å; F503-L506 HydrophobicContact CB-CG 3.93Å; F503-L506 HydrophobicContact CD1-CD1 4.36Å; F503-L506 HydrophobicContact CD2-CD1 4.37Å; F503-L506 HydrophobicContact CG-CD1 3.81Å; F503-L506 PolarHBondContact O-N 3.46Å; P504-L506 VanDerWaalsContact C-N 3.32Å; L506-L525 WeakPolarHBondContact O-CD1 3.34Å; L506-A527 HydrophobicContact CD2-CB 3.82Å; L506-Y550 HydrophobicContact CD2-CD1 4.12Å; L506-Y550 HydrophobicContact CD2-CE1 3.75Å; L506-Y550 HydrophobicContact CG-CE1 4.41Å; L506-I674 HydrophobicContact CD1-CG2 3.96Å; L506-I674 HydrophobicContact CD2-CG2 4.39Å; L506-L678 HydrophobicContact CD1-CD1 4.05Å; L506-L678 HydrophobicContact CD1-CD2 3.59Å; L506-L678 HydrophobicContact CD1-CG 3.75Å; L506-L678 HydrophobicContact CD2-CD1 4Å; L506-L678 HydrophobicContact CD2-CD2 4.29Å; L506-L678 HydrophobicContact CG-CD2 4.33Å |
| 507 | R | 80.7 | Confident | 83 | Confident | 145 Ų | 145 | 81.6 Ų | 81.6 | 55% | 0.547 | 39% | 0.394 | S | S | . | . | trans | -100.3 | 121.2 | 176.1 | -171.1 | 171.5 | 174.1 | 169.2 | -0.4 | 109.8 | M500 N505 D509 Y573 | M500-R507 HydrophobicContact CE-CB 4.03Å; M500-R507 HydrophobicContact CE-CG 4.44Å; N505-R507 VanDerWaalsContact C-N 3.34Å; R507-D509 WeakPolarHBondContact CD-OD2 3.47Å; R507-D509 IonicContact CZ-OD2 3.53Å; R507-D509 IonicContact NE-OD1 2.81Å; R507-D509 PolarHBondContact NE-OD1 2.99Å; R507-D509 IonicContact NE-OD2 3.53Å; R507-D509 PolarHBondContact NE-OD2 3.47Å; R507-D509 IonicContact NH2-OD1 3.1Å; R507-D509 IonicContact NH2-OD2 2.83Å; R507-D509 PolarHBondContact NH2-OD2 3.46Å; R507-Y573 PolarHBondContact O-OH 2.9Å | ||
| 508 | F | 85.2 | Confident | 83.1 | Confident | 33 Ų | 33 | 79.2 Ų | 79.2 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | trans | -114 | 100.1 | 174.2 | 179.1 | -115 | 0 | 0 | 0 | 110.4 | Y510 V522 L525 I552 I563 L569 Y573 | F508-Y510 HydrophobicContact CD1-CD1 4.09Å; F508-Y510 AromaticContact CE1-CD1 3.38Å; F508-Y510 HydrophobicContact CE1-CD1 3.38Å; F508-Y510 AromaticContact CE1-CE1 3.96Å; F508-Y510 HydrophobicContact CE1-CE1 3.96Å; F508-Y510 HydrophobicContact CE1-CG 4.18Å; F508-Y510 AromaticContact CZ-CD1 3.79Å; F508-Y510 HydrophobicContact CZ-CD1 3.79Å; F508-Y510 HydrophobicContact CZ-CG 4.15Å; F508-V522 HydrophobicContact CD1-CG1 4.4Å; F508-V522 HydrophobicContact CE1-CG1 3.88Å; F508-L525 HydrophobicContact CB-CD1 3.85Å; F508-L525 HydrophobicContact CB-CG 3.9Å; F508-I552 HydrophobicContact CD1-CD1 4.37Å; F508-I552 HydrophobicContact CD1-CG1 4.36Å; F508-I552 HydrophobicContact CD1-CG2 4.27Å; F508-I552 HydrophobicContact CD2-CD1 3.42Å; F508-I552 VanDerWaalsContact CD2-CD1 3.42Å; F508-I552 HydrophobicContact CD2-CG1 3.94Å; F508-I552 HydrophobicContact CE1-CD1 4.1Å; F508-I552 HydrophobicContact CE1-CG1 4.43Å; F508-I552 HydrophobicContact CE1-CG2 4Å; F508-I552 HydrophobicContact CE2-CD1 3.11Å; F508-I552 HydrophobicContact CE2-CG1 4.05Å; F508-I552 HydrophobicContact CG-CD1 4.07Å; F508-I552 HydrophobicContact CG-CG1 4.12Å; F508-I552 HydrophobicContact CZ-CD1 3.49Å; F508-I552 VanDerWaalsContact CZ-CD1 3.49Å; F508-I552 HydrophobicContact CZ-CG1 4.29Å; F508-I552 HydrophobicContact CZ-CG2 4.36Å; F508-I563 HydrophobicContact CZ-CG2 4.05Å; F508-L569 HydrophobicContact CE2-CD2 3.8Å; F508-L569 HydrophobicContact CZ-CD2 4.11Å; F508-Y573 HydrophobicContact CD2-CD1 4.31Å; F508-Y573 HydrophobicContact CD2-CD2 4.35Å; F508-Y573 HydrophobicContact CD2-CE1 4.05Å; F508-Y573 HydrophobicContact CD2-CE2 4.06Å; F508-Y573 HydrophobicContact CD2-CG 4.46Å; F508-Y573 AromaticContact CD2-CZ 3.92Å; F508-Y573 HydrophobicContact CE2-CD2 4.12Å; F508-Y573 HydrophobicContact CE2-CE2 4.14Å; F508-Y573 HydrophobicContact CE2-CG 4.4Å | ||
| 509 | D | 84 | Confident | 83.1 | Confident | 89 Ų | 89 | 79.8 Ų | 79.8 | 48% | 0.476 | 39% | 0.387 | S | S | . | . | trans | -106.6 | 136.1 | 173.4 | -60.8 | -47.2 | 0 | 0 | 0 | 109.9 | R507 | R507-D509 WeakPolarHBondContact CD-OD2 3.47Å; R507-D509 IonicContact CZ-OD2 3.53Å; R507-D509 IonicContact NE-OD1 2.81Å; R507-D509 PolarHBondContact NE-OD1 2.99Å; R507-D509 IonicContact NE-OD2 3.53Å; R507-D509 PolarHBondContact NE-OD2 3.47Å; R507-D509 IonicContact NH2-OD1 3.1Å; R507-D509 IonicContact NH2-OD2 2.83Å; R507-D509 PolarHBondContact NH2-OD2 3.46Å | ||
| 510 | Y | 88.3 | Confident | 83.3 | Confident | 32 Ų | 32 | 82.1 Ų | 82.1 | 13% | 0.125 | 41% | 0.406 | C | S | . | . | trans | -143.3 | 154 | 172 | 72.2 | -80.6 | 0 | 0 | 0 | 109.9 | F508 W517 R519 V522 | F508-Y510 HydrophobicContact CD1-CD1 4.09Å; F508-Y510 AromaticContact CE1-CD1 3.38Å; F508-Y510 HydrophobicContact CE1-CD1 3.38Å; F508-Y510 AromaticContact CE1-CE1 3.96Å; F508-Y510 HydrophobicContact CE1-CE1 3.96Å; F508-Y510 HydrophobicContact CE1-CG 4.18Å; F508-Y510 AromaticContact CZ-CD1 3.79Å; F508-Y510 HydrophobicContact CZ-CD1 3.79Å; F508-Y510 HydrophobicContact CZ-CG 4.15Å; Y510-W517 AromaticContact CE2-CD1 3.96Å; Y510-W517 HydrophobicContact CE2-CZ2 4.48Å; Y510-W517 AromaticContact CE2-NE1 3.4Å; Y510-W517 AromaticContact CZ-NE1 3.54Å; Y510-W517 PolarHBondContact OH-NE1 3.2Å; Y510-R519 WeakPolarHBondContact OH-CG 3.23Å; Y510-V522 HydrophobicContact CE1-CG1 4.34Å; Y510-V522 HydrophobicContact CE1-CG2 4.33Å | ||
| 511 | K | 87.6 | Confident | 83.6 | Confident | 113 Ų | 113 | 84.7 Ų | 84.7 | 49% | 0.491 | 42% | 0.416 | S | S | . | . | trans | -84.2 | 136.7 | 173 | -176 | 177.1 | 177.6 | 179.2 | 0 | 109.8 | P513 G567 E568 | K511-P513 WeakPolarHBondContact O-CD 3.45Å; K511-P513 VanDerWaalsContact O-N 3.12Å; K511-G567 PolarHBondContact N-O 2.87Å; K511-G567 WeakPolarHBondContact O-CA 3.45Å; K511-E568 HydrophobicContact CB-CB 4.42Å; K511-E568 VanDerWaalsContact CD-CD 3.48Å; K511-E568 HydrophobicContact CD-CG 4.3Å; K511-E568 VanDerWaalsContact CD-OE2 3.25Å; K511-E568 WeakPolarHBondContact CD-OE2 3.46Å; K511-E568 VanDerWaalsContact NZ-CD 3.33Å; K511-E568 IonicContact NZ-OE1 3.43Å; K511-E568 PolarHBondContact NZ-OE1 3.09Å; K511-E568 IonicContact NZ-OE2 3.69Å; K511-E568 PolarHBondContact NZ-OE2 3.37Å | ||
| 512 | D | 89 | Confident | 84.1 | Confident | 65 Ų | 65 | 81.7 Ų | 81.7 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | trans | -57.1 | 117 | -179.5 | -67.1 | -40.6 | 0 | 0 | 0 | 110.7 | E514 W517 R519 | D512-E514 VanDerWaalsContact C-N 3.26Å; D512-E514 PolarHBondContact O-N 3.31Å; D512-W517 HydrophobicContact CB-CB 3.96Å; D512-W517 HydrophobicContact CB-CG 4.32Å; D512-W517 VanDerWaalsContact OD1-CD1 3.26Å; D512-R519 IonicContact OD1-CZ 2.65Å; D512-R519 IonicContact OD1-NE 3.61Å; D512-R519 PolarHBondContact OD1-NE 3.45Å; D512-R519 IonicContact OD1-NH2 2.84Å; D512-R519 PolarHBondContact OD1-NH2 3.34Å; D512-R519 IonicContact OD2-CZ 2.59Å; D512-R519 IonicContact OD2-NE 3.52Å; D512-R519 IonicContact OD2-NH2 3.57Å; D512-R519 PolarHBondContact OD2-NH2 2.99Å | ||
| 513 | P | 87.4 | Confident | 84.6 | Confident | 17 Ų | 17 | 77.6 Ų | 77.6 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -63.7 | -24 | -173.3 | -29.4 | 37.6 | 0 | 0 | 0 | 115.5 | K511 W517 K562 I563 K566 | K511-P513 WeakPolarHBondContact O-CD 3.45Å; K511-P513 VanDerWaalsContact O-N 3.12Å; P513-W517 HydrophobicContact CB-CE3 4.27Å; P513-W517 HydrophobicContact CB-CZ3 4.23Å; P513-W517 HydrophobicContact CG-CD2 4.21Å; P513-W517 HydrophobicContact CG-CE3 4.19Å; P513-W517 HydrophobicContact CG-CH2 4.02Å; P513-W517 HydrophobicContact CG-CZ2 4.09Å; P513-W517 HydrophobicContact CG-CZ3 4.09Å; P513-K562 HydrophobicContact CB-CB 4.24Å; P513-K562 HydrophobicContact CG-CB 4.49Å; P513-I563 HydrophobicContact CG-CG1 4.34Å; P513-K566 HydrophobicContact CB-CB 4.02Å |
| 514 | E | 87.6 | Confident | 85.1 | Confident | 91 Ų | 91 | 75.9 Ų | 75.9 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -150.8 | 162.1 | -178 | 65.4 | -162.1 | 168.4 | 0 | 0 | 111.6 | D512 W517 K562 | D512-E514 VanDerWaalsContact C-N 3.26Å; D512-E514 PolarHBondContact O-N 3.31Å; E514-W517 HydrophobicContact CG-CB 4.46Å; E514-W517 HydrophobicContact CG-CE3 3.86Å; E514-W517 WeakPolarHBondContact O-CB 3.43Å; E514-W517 PolarHBondContact O-N 3.08Å; E514-K562 IonicContact OE1-NZ 2.85Å; E514-K562 PolarHBondContact OE1-NZ 3.09Å; E514-K562 IonicContact OE2-NZ 3.53Å; E514-K562 PolarHBondContact OE2-NZ 2.49Å |
| 515 | R | 82.6 | Confident | 85.9 | Confident | 256 Ų | 256 | 72.9 Ų | 72.9 | 97% | 0.966 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 132.2 | 176.8 | -71.4 | -176.8 | 176.8 | 176.6 | -1 | 109.9 | ||
| 516 | G | 83 | Confident | 86.4 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 87% | 0.866 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 23 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D518 | G516-D518 PolarHBondContact O-N 3.14Š|
| 517 | W | 88.4 | Confident | 86.8 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 10% | 0.095 | 34% | 0.336 | C | S | . | . | trans | -59.1 | 126.8 | 177.7 | 178.6 | -102.1 | 0 | 0 | 0 | 112 | Y510 D512 P513 E514 R519 V522 T559 K562 I563 | Y510-W517 AromaticContact CE2-CD1 3.96Å; Y510-W517 HydrophobicContact CE2-CZ2 4.48Å; Y510-W517 AromaticContact CE2-NE1 3.4Å; Y510-W517 AromaticContact CZ-NE1 3.54Å; Y510-W517 PolarHBondContact OH-NE1 3.2Å; D512-W517 HydrophobicContact CB-CB 3.96Å; D512-W517 HydrophobicContact CB-CG 4.32Å; D512-W517 VanDerWaalsContact OD1-CD1 3.26Å; P513-W517 HydrophobicContact CB-CE3 4.27Å; P513-W517 HydrophobicContact CB-CZ3 4.23Å; P513-W517 HydrophobicContact CG-CD2 4.21Å; P513-W517 HydrophobicContact CG-CE3 4.19Å; P513-W517 HydrophobicContact CG-CH2 4.02Å; P513-W517 HydrophobicContact CG-CZ2 4.09Å; P513-W517 HydrophobicContact CG-CZ3 4.09Å; E514-W517 HydrophobicContact CG-CB 4.46Å; E514-W517 HydrophobicContact CG-CE3 3.86Å; E514-W517 WeakPolarHBondContact O-CB 3.43Å; E514-W517 PolarHBondContact O-N 3.08Å; W517-R519 PolarHBondContact O-N 2.75Å; W517-V522 HydrophobicContact CZ2-CG2 4.15Å; W517-T559 HydrophobicContact CH2-CG2 4.23Å; W517-K562 HydrophobicContact CH2-CB 4.13Å; W517-K562 HydrophobicContact CH2-CD 4.4Å; W517-K562 HydrophobicContact CZ3-CB 4.17Å; W517-K562 HydrophobicContact CZ3-CD 3.77Å; W517-I563 HydrophobicContact CH2-CG1 4.1Å; W517-I563 HydrophobicContact CZ2-CD1 4.01Å; W517-I563 HydrophobicContact CZ2-CG1 3.78Å | ||
| 518 | D | 87.5 | Confident | 87 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | trans | -86.7 | 104.5 | 176.6 | -179.9 | 5.4 | 0 | 0 | 0 | 110.2 | G516 S520 K521 | G516-D518 PolarHBondContact O-N 3.14Å; D518-S520 PolarHBondContact O-N 3.48Å; D518-S520 VanDerWaalsContact OD1-CB 3.3Å; D518-S520 WeakPolarHBondContact OD1-CB 3.42Å; D518-S520 PolarHBondContact OD1-N 3.15Å; D518-S520 PolarHBondContact OD1-OG 3.44Å; D518-S520 PolarHBondContact OD2-OG 3.08Å; D518-K521 HydrophobicContact CB-CD 4.22Å; D518-K521 HydrophobicContact CB-CG 4.25Å; D518-K521 PolarHBondContact O-N 3.33Å; D518-K521 WeakPolarHBondContact OD2-CE 3.44Å | ||
| 519 | R | 86.4 | Confident | 87.1 | Confident | 144 Ų | 144 | 65.3 Ų | 65.3 | 54% | 0.543 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -67.3 | -20.2 | -179.7 | -63.3 | -159.1 | 170.5 | -176.4 | 3 | 113.3 | Y510 D512 W517 K521 V522 | Y510-R519 WeakPolarHBondContact OH-CG 3.23Å; D512-R519 IonicContact OD1-CZ 2.65Å; D512-R519 IonicContact OD1-NE 3.61Å; D512-R519 PolarHBondContact OD1-NE 3.45Å; D512-R519 IonicContact OD1-NH2 2.84Å; D512-R519 PolarHBondContact OD1-NH2 3.34Å; D512-R519 IonicContact OD2-CZ 2.59Å; D512-R519 IonicContact OD2-NE 3.52Å; D512-R519 IonicContact OD2-NH2 3.57Å; D512-R519 PolarHBondContact OD2-NH2 2.99Å; W517-R519 PolarHBondContact O-N 2.75Å; R519-K521 PolarHBondContact O-N 3.48Å; R519-V522 PolarHBondContact O-N 3.5Å; R519-V522 VanDerWaalsContact O-N 3.1Å |
| 520 | S | 86.1 | Confident | 87.3 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -66.8 | -20.2 | -179.5 | 73.6 | 0 | 0 | 0 | 0 | 113.5 | D518 V522 | D518-S520 PolarHBondContact O-N 3.48Å; D518-S520 VanDerWaalsContact OD1-CB 3.3Å; D518-S520 WeakPolarHBondContact OD1-CB 3.42Å; D518-S520 PolarHBondContact OD1-N 3.15Å; D518-S520 PolarHBondContact OD1-OG 3.44Å; D518-S520 PolarHBondContact OD2-OG 3.08Å; S520-V522 PolarHBondContact O-N 3.15Å |
| 521 | K | 87.1 | Confident | 87.1 | Confident | 82 Ų | 82 | 63.2 Ų | 63.2 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -68.6 | -19.6 | 174.8 | -63.1 | -174.7 | -179 | 176.8 | 0 | 113.2 | D518 R519 D555 T559 | D518-K521 HydrophobicContact CB-CD 4.22Å; D518-K521 HydrophobicContact CB-CG 4.25Å; D518-K521 PolarHBondContact O-N 3.33Å; D518-K521 WeakPolarHBondContact OD2-CE 3.44Å; R519-K521 PolarHBondContact O-N 3.48Å; K521-D555 WeakPolarHBondContact CG-OD2 3.33Å; K521-D555 PolarHBondContact O-N 3.28Å; K521-D555 VanDerWaalsContact O-N 3.08Å; K521-T559 HydrophobicContact CB-CG2 4.21Å; K521-T559 HydrophobicContact CD-CG2 3.95Å |
| 522 | V | 90.7 | Very high | 86.8 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 11% | 0.109 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 103.2 | 173.5 | -174.5 | 0 | 0 | 0 | 0 | 107.5 | F508 Y510 W517 R519 S520 G524 I552 V554 I563 | F508-V522 HydrophobicContact CD1-CG1 4.4Å; F508-V522 HydrophobicContact CE1-CG1 3.88Å; Y510-V522 HydrophobicContact CE1-CG1 4.34Å; Y510-V522 HydrophobicContact CE1-CG2 4.33Å; W517-V522 HydrophobicContact CZ2-CG2 4.15Å; R519-V522 PolarHBondContact O-N 3.5Å; R519-V522 VanDerWaalsContact O-N 3.1Å; S520-V522 PolarHBondContact O-N 3.15Å; V522-G524 VanDerWaalsContact C-N 3.26Å; V522-G524 PolarHBondContact O-N 3.3Å; V522-I552 HydrophobicContact CG1-CG2 4.07Å; V522-V554 HydrophobicContact CG1-CG1 4.46Å; V522-I563 HydrophobicContact CG2-CD1 3.42Å; V522-I563 VanDerWaalsContact CG2-CD1 3.42Å |
| 523 | K | 88.6 | Confident | 86 | Confident | 81 Ų | 81 | 60 Ų | 60 | 35% | 0.352 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -27.2 | 180 | -60.9 | -62.4 | -171.7 | 170.9 | 0 | 111.6 | L529 V553 L616 | K523-L529 HydrophobicContact CB-CD1 3.93Å; K523-L529 WeakPolarHBondContact O-CD2 3.47Å; K523-V553 HydrophobicContact CB-CB 4.19Å; K523-V553 HydrophobicContact CB-CG1 4.3Å; K523-V553 PolarHBondContact N-O 3.49Å; K523-L616 HydrophobicContact CB-CD2 4.23Å; K523-L616 HydrophobicContact CG-CD2 4.11Å |
| 524 | G | 89 | Confident | 85.6 | Confident | 16 Ų | 16 | 62.7 Ų | 62.7 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.8 | -165.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | V522 I552 V553 | V522-G524 VanDerWaalsContact C-N 3.26Å; V522-G524 PolarHBondContact O-N 3.3Å; G524-I552 CarbonylContact O-C 3.55Å; G524-I552 WeakPolarHBondContact O-CA 3.45Å; G524-V553 PolarHBondContact N-O 3.01Å; G524-V553 PolarHBondContact O-N 3.23Å |
| 525 | L | 89.4 | Confident | 85.2 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 136.9 | -179.8 | -72.1 | 162.3 | 0 | 0 | 0 | 110.8 | L506 F508 A527 N528 L529 Y550 I552 | L506-L525 WeakPolarHBondContact O-CD1 3.34Å; F508-L525 HydrophobicContact CB-CD1 3.85Å; F508-L525 HydrophobicContact CB-CG 3.9Å; L525-A527 PolarHBondContact O-N 2.84Å; L525-N528 PolarHBondContact O-N 2.86Å; L525-L529 WeakPolarHBondContact O-CG 3.44Å; L525-Y550 WeakPolarHBondContact CD2-O 3.45Å; L525-I552 HydrophobicContact CD2-CG1 3.94Å |
| 526 | L | 88.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -55.7 | -37.2 | 179.7 | -169 | 74.4 | 0 | 0 | 0 | 112.1 | N528 L529 I530 N551 V553 A619 M620 V623 | L526-N528 VanDerWaalsContact C-N 3.25Å; L526-N528 PolarHBondContact O-N 3.34Å; L526-L529 PolarHBondContact O-N 3.41Å; L526-L529 VanDerWaalsContact O-N 3.07Å; L526-I530 PolarHBondContact O-N 3.24Å; L526-N551 PolarHBondContact N-O 2.67Å; L526-V553 HydrophobicContact CB-CG2 4.45Å; L526-V553 HydrophobicContact CD1-CG2 3.77Å; L526-A619 HydrophobicContact CD1-CB 4.38Å; L526-M620 HydrophobicContact CD1-CE 3.58Å; L526-M620 HydrophobicContact CD1-SD 3.75Å; L526-M620 HydrophobicContact CG-CE 4.44Å; L526-M620 HydrophobicContact CG-SD 4.46Å; L526-V623 HydrophobicContact CD2-CB 4.1Å; L526-V623 HydrophobicContact CD2-CG1 4.06Å; L526-V623 HydrophobicContact CD2-CG2 3.59Å |
| 527 | A | 86.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.4 | -32.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | L506 L525 L529 I530 L549 L678 | L506-A527 HydrophobicContact CD2-CB 3.82Å; L525-A527 PolarHBondContact O-N 2.84Å; A527-L529 VanDerWaalsContact C-N 3.34Å; A527-I530 WeakPolarHBondContact O-CG1 3.49Å; A527-L549 HydrophobicContact CB-CB 4.22Å; A527-L549 WeakPolarHBondContact CB-O 3.37Å; A527-L549 PolarHBondContact N-O 3.45Å; A527-L678 HydrophobicContact CB-CD1 3.6Å |
| 528 | N | 85.3 | Confident | 85.2 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -85 | -13.4 | 179.6 | -62.4 | -2.1 | 0 | 0 | 0 | 112.4 | L525 L526 L678 | L525-N528 PolarHBondContact O-N 2.86Å; L526-N528 VanDerWaalsContact C-N 3.25Å; L526-N528 PolarHBondContact O-N 3.34Å; N528-L678 VanDerWaalsContact OD1-CD2 3.28Å; N528-L678 WeakPolarHBondContact OD1-CD2 3.37Å |
| 529 | L | 86.8 | Confident | 85.1 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 18% | 0.183 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -98.8 | -5 | -174.3 | -64.2 | 175.7 | 0 | 0 | 0 | 113.5 | K523 L525 L526 A527 V553 L616 M620 | K523-L529 HydrophobicContact CB-CD1 3.93Å; K523-L529 WeakPolarHBondContact O-CD2 3.47Å; L525-L529 WeakPolarHBondContact O-CG 3.44Å; L526-L529 PolarHBondContact O-N 3.41Å; L526-L529 VanDerWaalsContact O-N 3.07Å; A527-L529 VanDerWaalsContact C-N 3.34Å; L529-V553 HydrophobicContact CD1-CB 4.1Å; L529-V553 HydrophobicContact CD1-CG2 4.12Å; L529-L616 HydrophobicContact CB-CD1 3.8Å; L529-L616 HydrophobicContact CD1-CD1 4Å; L529-L616 HydrophobicContact CD1-CD2 4.33Å; L529-L616 HydrophobicContact CD2-CD1 4.18Å; L529-L616 HydrophobicContact CG-CD1 4.22Å; L529-M620 HydrophobicContact CB-CE 4.34Å |
| 530 | I | 87.1 | Confident | 85.1 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | trans | -104.6 | 144.9 | 177.5 | 57.3 | 172.6 | 0 | 0 | 0 | 110.9 | L526 A527 L549 V610 M620 F624 L675 | L526-I530 PolarHBondContact O-N 3.24Å; A527-I530 WeakPolarHBondContact O-CG1 3.49Å; I530-L549 HydrophobicContact CD1-CD2 3.83Å; I530-V610 HydrophobicContact CB-CG1 3.67Å; I530-V610 HydrophobicContact CG2-CG1 3.62Å; I530-M620 HydrophobicContact CG2-CE 3.31Å; I530-M620 HydrophobicContact CG2-SD 3.49Å; I530-M620 WeakPolarHBondContact CG2-SD 3.36Å; I530-F624 HydrophobicContact CD1-CZ 4.23Å; I530-F624 HydrophobicContact CG2-CE2 4.3Å; I530-L675 HydrophobicContact CD1-CD1 4.24Å; I530-L675 HydrophobicContact CD1-CD2 3.53Å; I530-L675 HydrophobicContact CG1-CD2 4.27Å | ||
| 531 | T | 84.1 | Confident | 85.2 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 39% | 0.393 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.3 | 166.7 | 53.8 | 0 | 0 | 0 | 0 | 108.9 | G611 | T531-G611 PolarHBondContact N-O 3.46Å; T531-G611 PolarHBondContact O-N 3.43Å; T531-G611 WeakPolarHBondContact OG1-CA 3.48Å; T531-G611 PolarHBondContact OG1-O 3.45Å |
| 532 | V | 81.6 | Confident | 85.3 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.1 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | D534 A538 L541 L675 | V532-D534 WeakPolarHBondContact CG1-O 3.42Å; V532-A538 HydrophobicContact CG1-CB 4.46Å; V532-L541 HydrophobicContact CG1-CD1 3.86Å; V532-L541 HydrophobicContact CG2-CD1 4.13Å; V532-L675 HydrophobicContact CG2-CB 4.11Å; V532-L675 HydrophobicContact CG2-CD1 3.99Å |
| 533 | S | 73.1 | Confident | 85.1 | Confident | 92 Ų | 92 | 36 Ų | 36 | 64% | 0.643 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -71.1 | -34.8 | -176.2 | -38 | 0 | 0 | 0 | 0 | 112.5 | L609 | S533-L609 PolarHBondContact OG-O 2.96Š|
| 534 | D | 79.4 | Confident | 85.1 | Confident | 74 Ų | 74 | 32.7 Ų | 32.7 | 40% | 0.396 | 19% | 0.194 | S | C | . | . | trans | -138.8 | 120.9 | -179.8 | 180 | -12.4 | 0 | 0 | 0 | 110 | V532 T536 Y537 | V532-D534 WeakPolarHBondContact CG1-O 3.42Å; D534-T536 PolarHBondContact O-N 3.42Å; D534-T536 VanDerWaalsContact O-N 3.16Å; D534-T536 WeakPolarHBondContact OD1-CB 3.19Å; D534-T536 WeakPolarHBondContact OD1-CG2 3.48Å; D534-T536 PolarHBondContact OD1-N 3.34Å; D534-T536 PolarHBondContact OD1-OG1 3.22Å; D534-T536 PolarHBondContact OD2-OG1 3.43Å; D534-Y537 HydrophobicContact CB-CD2 3.85Å; D534-Y537 HydrophobicContact CB-CE2 4.17Å; D534-Y537 PolarHBondContact O-N 3.45Å; D534-Y537 VanDerWaalsContact O-N 3.16Å | ||
| 535 | V | 79.4 | Confident | 85 | Confident | 76 Ų | 76 | 32.1 Ų | 32.1 | 46% | 0.461 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -60 | -25.6 | -175.1 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | Y537 A538 T676 | V535-Y537 PolarHBondContact O-N 3.48Å; V535-A538 VanDerWaalsContact O-CB 3.25Å; V535-A538 WeakPolarHBondContact O-CB 3.38Å; V535-A538 PolarHBondContact O-N 3Å; V535-A538 VanDerWaalsContact O-N 3.1Å; V535-T676 HydrophobicContact CG1-CG2 4.08Å |
| 536 | T | 82.6 | Confident | 84.9 | Confident | 84 Ų | 84 | 33.6 Ų | 33.6 | 52% | 0.515 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -61.1 | -28.2 | 178.8 | 60 | 0 | 0 | 0 | 0 | 112.9 | D534 | D534-T536 PolarHBondContact O-N 3.42Å; D534-T536 VanDerWaalsContact O-N 3.16Å; D534-T536 WeakPolarHBondContact OD1-CB 3.19Å; D534-T536 WeakPolarHBondContact OD1-CG2 3.48Å; D534-T536 PolarHBondContact OD1-N 3.34Å; D534-T536 PolarHBondContact OD1-OG1 3.22Å; D534-T536 PolarHBondContact OD2-OG1 3.43Å |
| 537 | Y | 85.6 | Confident | 84.7 | Confident | 43 Ų | 43 | 36.3 Ų | 36.3 | 17% | 0.169 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -93.5 | -2.1 | 179 | -59.4 | -85.2 | 0 | 0 | 0 | 113.8 | D534 V535 T539 A540 L541 L609 V629 L652 | D534-Y537 HydrophobicContact CB-CD2 3.85Å; D534-Y537 HydrophobicContact CB-CE2 4.17Å; D534-Y537 PolarHBondContact O-N 3.45Å; D534-Y537 VanDerWaalsContact O-N 3.16Å; V535-Y537 PolarHBondContact O-N 3.48Å; Y537-T539 VanDerWaalsContact C-N 3.35Å; Y537-T539 PolarHBondContact O-N 3Å; Y537-A540 PolarHBondContact O-N 3.27Å; Y537-A540 VanDerWaalsContact O-N 3.15Å; Y537-L541 WeakPolarHBondContact O-CG 3.45Å; Y537-L541 PolarHBondContact O-N 3.41Å; Y537-L609 HydrophobicContact CD1-CD1 3.69Å; Y537-L609 HydrophobicContact CD2-CD2 4.26Å; Y537-L609 HydrophobicContact CE1-CD1 4.25Å; Y537-L609 HydrophobicContact CE2-CD2 4.35Å; Y537-L609 HydrophobicContact CG-CD1 3.88Å; Y537-L609 HydrophobicContact CG-CD2 4.35Å; Y537-V629 HydrophobicContact CD1-CG1 3.98Å; Y537-V629 HydrophobicContact CE1-CG1 4.49Å; Y537-L652 HydrophobicContact CD1-CD2 3.33Å; Y537-L652 HydrophobicContact CE1-CD2 3.53Å; Y537-L652 HydrophobicContact CG-CD2 4.15Å |
| 538 | A | 85.1 | Confident | 84.9 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V532 V535 L541 E542 S673 L675 | V532-A538 HydrophobicContact CG1-CB 4.46Å; V535-A538 VanDerWaalsContact O-CB 3.25Å; V535-A538 WeakPolarHBondContact O-CB 3.38Å; V535-A538 PolarHBondContact O-N 3Å; V535-A538 VanDerWaalsContact O-N 3.1Å; A538-L541 PolarHBondContact O-N 2.74Å; A538-E542 WeakPolarHBondContact O-CG 3.37Å; A538-E542 PolarHBondContact O-N 2.97Å; A538-S673 WeakPolarHBondContact CB-OG 3.32Å; A538-L675 HydrophobicContact CB-CB 4.42Å |
| 539 | T | 85.3 | Confident | 85 | Confident | 51 Ų | 51 | 37.6 Ų | 37.6 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.7 | -41 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | Y537 E542 V543 | Y537-T539 VanDerWaalsContact C-N 3.35Å; Y537-T539 PolarHBondContact O-N 3Å; T539-E542 PolarHBondContact O-N 2.99Å; T539-V543 WeakPolarHBondContact O-CG2 3.36Å; T539-V543 PolarHBondContact O-N 2.9Å |
| 540 | A | 87.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y537 E542 V543 V544 V629 V650 T651 | Y537-A540 PolarHBondContact O-N 3.27Å; Y537-A540 VanDerWaalsContact O-N 3.15Å; A540-E542 VanDerWaalsContact C-N 3.33Å; A540-E542 PolarHBondContact O-N 3.27Å; A540-V543 PolarHBondContact O-N 3.38Å; A540-V543 VanDerWaalsContact O-N 3.14Å; A540-V544 VanDerWaalsContact O-CG2 3.25Å; A540-V544 WeakPolarHBondContact O-CG2 3.3Å; A540-V544 PolarHBondContact O-N 3.14Å; A540-V629 HydrophobicContact CB-CG1 3.69Å; A540-V629 HydrophobicContact CB-CG2 4.38Å; A540-V650 HydrophobicContact CB-CG1 4.15Å; A540-T651 WeakPolarHBondContact CB-O 3.43Å |
| 541 | L | 88.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -36.4 | 179.2 | -69.6 | 172.1 | 0 | 0 | 0 | 112.8 | V532 Y537 A538 V543 V544 A545 L609 V610 F624 L675 | V532-L541 HydrophobicContact CG1-CD1 3.86Å; V532-L541 HydrophobicContact CG2-CD1 4.13Å; Y537-L541 WeakPolarHBondContact O-CG 3.45Å; Y537-L541 PolarHBondContact O-N 3.41Å; A538-L541 PolarHBondContact O-N 2.74Å; L541-V543 VanDerWaalsContact C-N 3.32Å; L541-V543 PolarHBondContact O-N 3.18Å; L541-V544 PolarHBondContact O-N 3.09Å; L541-A545 WeakPolarHBondContact O-CB 3.44Å; L541-A545 PolarHBondContact O-N 3.49Å; L541-L609 HydrophobicContact CD1-CB 4.14Å; L541-L609 HydrophobicContact CD2-CB 4.21Å; L541-V610 HydrophobicContact CD1-CG2 3.9Å; L541-V610 HydrophobicContact CD2-CG2 3.77Å; L541-V610 HydrophobicContact CG-CG2 4.41Å; L541-F624 HydrophobicContact CB-CE1 4.41Å; L541-F624 HydrophobicContact CD2-CD1 4.18Å; L541-F624 HydrophobicContact CD2-CE1 4.14Å; L541-L675 HydrophobicContact CB-CD1 3.94Å |
| 542 | E | 87.4 | Confident | 85.8 | Confident | 17 Ų | 17 | 36.3 Ų | 36.3 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -41 | 172 | -79.6 | 174.5 | -166.2 | 0 | 0 | 113.1 | A538 T539 A540 G546 L549 S673 I674 L675 | A538-E542 WeakPolarHBondContact O-CG 3.37Å; A538-E542 PolarHBondContact O-N 2.97Å; T539-E542 PolarHBondContact O-N 2.99Å; A540-E542 VanDerWaalsContact C-N 3.33Å; A540-E542 PolarHBondContact O-N 3.27Å; E542-G546 WeakPolarHBondContact O-CA 3.07Å; E542-G546 PolarHBondContact O-N 3.27Å; E542-L549 HydrophobicContact CG-CD1 4.24Å; E542-S673 VanDerWaalsContact OE1-CA 3.25Å; E542-S673 WeakPolarHBondContact OE1-CA 3.19Å; E542-S673 WeakPolarHBondContact OE1-CB 3.37Å; E542-S673 PolarHBondContact OE1-OG 3.08Å; E542-I674 WeakPolarHBondContact OE1-CA 3.22Å; E542-I674 PolarHBondContact OE1-N 3.18Å; E542-L675 HydrophobicContact CG-CB 4.32Å; E542-L675 HydrophobicContact CG-CD1 3.64Å; E542-L675 HydrophobicContact CG-CG 3.54Å; E542-L675 PolarHBondContact OE1-N 3.11Å |
| 543 | V | 87.2 | Confident | 86.3 | Confident | 13 Ų | 13 | 35.4 Ų | 35.4 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71 | -38 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | T539 A540 L541 V650 I656 | T539-V543 WeakPolarHBondContact O-CG2 3.36Å; T539-V543 PolarHBondContact O-N 2.9Å; A540-V543 PolarHBondContact O-N 3.38Å; A540-V543 VanDerWaalsContact O-N 3.14Å; L541-V543 VanDerWaalsContact C-N 3.32Å; L541-V543 PolarHBondContact O-N 3.18Å; V543-V650 HydrophobicContact CB-CG1 4.1Å; V543-V650 HydrophobicContact CG1-CG1 3.94Å; V543-V650 HydrophobicContact CG1-CG2 4.44Å; V543-I656 HydrophobicContact CG1-CD1 3.45Å; V543-I656 VanDerWaalsContact CG1-CD1 3.45Å; V543-I656 HydrophobicContact CG1-CG1 3.38Å |
| 544 | V | 88.7 | Confident | 87.3 | Confident | 12 Ų | 12 | 31 Ų | 31 | 7% | 0.073 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -49.5 | 174.6 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | A540 L541 F624 T627 V629 V650 | A540-V544 VanDerWaalsContact O-CG2 3.25Å; A540-V544 WeakPolarHBondContact O-CG2 3.3Å; A540-V544 PolarHBondContact O-N 3.14Å; L541-V544 PolarHBondContact O-N 3.09Å; V544-F624 HydrophobicContact CB-CD1 4.3Å; V544-F624 HydrophobicContact CB-CE1 4.47Å; V544-F624 HydrophobicContact CG1-CD1 3.7Å; V544-F624 HydrophobicContact CG1-CE1 4.29Å; V544-T627 HydrophobicContact CG1-CG2 4.28Å; V544-T627 HydrophobicContact CG2-CG2 3.84Å; V544-V629 HydrophobicContact CG2-CG2 4.3Å; V544-V650 HydrophobicContact CG2-CB 4.13Å; V544-V650 HydrophobicContact CG2-CG1 4.48Å; V544-V650 HydrophobicContact CG2-CG2 3.81Å |
| 545 | A | 87.8 | Confident | 87.8 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -76.6 | -35.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L541 G547 R548 L549 V623 F624 | L541-A545 WeakPolarHBondContact O-CB 3.44Å; L541-A545 PolarHBondContact O-N 3.49Å; A545-G547 PolarHBondContact O-N 2.66Å; A545-R548 WeakPolarHBondContact O-CB 3.36Å; A545-R548 WeakPolarHBondContact O-CG 3.31Å; A545-R548 PolarHBondContact O-N 3.01Å; A545-L549 HydrophobicContact CB-CD1 4.21Å; A545-L549 HydrophobicContact CB-CD2 3.46Å; A545-L549 VanDerWaalsContact CB-CD2 3.46Å; A545-L549 HydrophobicContact CB-CG 3.47Å; A545-L549 VanDerWaalsContact CB-CG 3.47Å; A545-V623 HydrophobicContact CB-CG1 3.67Å; A545-F624 HydrophobicContact CB-CE1 3.68Å; A545-F624 HydrophobicContact CB-CZ 3.69Å |
| 546 | G | 86.8 | Confident | 88.4 | Confident | 34 Ų | 34 | 28 Ų | 28 | 35% | 0.351 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | 52 | -134.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E542 R548 L549 | E542-G546 WeakPolarHBondContact O-CA 3.07Å; E542-G546 PolarHBondContact O-N 3.27Å; G546-R548 PolarHBondContact O-N 2.52Å; G546-R548 VanDerWaalsContact O-N 3.09Å; G546-L549 PolarHBondContact O-N 2.74Å |
| 547 | G | 84.4 | Confident | 88.8 | Confident | 57 Ų | 57 | 27 Ų | 27 | 59% | 0.588 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -63.1 | -13.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A545 L549 Y550 | A545-G547 PolarHBondContact O-N 2.66Å; G547-L549 PolarHBondContact O-N 3.5Å; G547-Y550 PolarHBondContact O-N 3.47Å |
| 548 | R | 89.8 | Confident | 89.1 | Confident | 97 Ų | 97 | 28.7 Ų | 28.7 | 37% | 0.366 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -71.6 | -16.7 | -179.6 | -54.3 | 175.8 | 178.4 | 179.1 | -0.8 | 112.9 | A545 G546 Y550 N551 Y622 V623 | A545-R548 WeakPolarHBondContact O-CB 3.36Å; A545-R548 WeakPolarHBondContact O-CG 3.31Å; A545-R548 PolarHBondContact O-N 3.01Å; G546-R548 PolarHBondContact O-N 2.52Å; G546-R548 VanDerWaalsContact O-N 3.09Å; R548-Y550 PolarHBondContact O-N 2.89Å; R548-N551 VanDerWaalsContact O-CB 3.26Å; R548-N551 WeakPolarHBondContact O-CB 3.07Å; R548-N551 PolarHBondContact O-N 3.04Å; R548-N551 VanDerWaalsContact O-N 3.1Å; R548-Y622 PolarHBondContact NH1-O 3.49Å; R548-V623 HydrophobicContact CB-CG1 4.13Å; R548-V623 HydrophobicContact CB-CG2 4.11Å |
| 549 | L | 88.3 | Confident | 89.4 | Confident | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -57.7 | -32.3 | 172.6 | -72.3 | 176.6 | 0 | 0 | 0 | 112.5 | A527 I530 E542 A545 G546 G547 N551 F624 L675 | A527-L549 HydrophobicContact CB-CB 4.22Å; A527-L549 WeakPolarHBondContact CB-O 3.37Å; A527-L549 PolarHBondContact N-O 3.45Å; I530-L549 HydrophobicContact CD1-CD2 3.83Å; E542-L549 HydrophobicContact CG-CD1 4.24Å; A545-L549 HydrophobicContact CB-CD1 4.21Å; A545-L549 HydrophobicContact CB-CD2 3.46Å; A545-L549 VanDerWaalsContact CB-CD2 3.46Å; A545-L549 HydrophobicContact CB-CG 3.47Å; A545-L549 VanDerWaalsContact CB-CG 3.47Å; G546-L549 PolarHBondContact O-N 2.74Å; G547-L549 PolarHBondContact O-N 3.5Å; L549-N551 VanDerWaalsContact C-N 3.27Å; L549-N551 PolarHBondContact O-N 3.49Å; L549-F624 HydrophobicContact CD2-CZ 4.48Å; L549-L675 HydrophobicContact CD1-CD2 4.3Å; L549-L675 HydrophobicContact CD2-CD2 4.16Å |
| 550 | Y | 88.7 | Confident | 89.6 | Confident | 70 Ų | 70 | 26.8 Ų | 26.8 | 28% | 0.275 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -89.1 | 9.3 | -179 | -52.8 | -76.3 | 0 | 0 | 0 | 113.2 | N505 L506 L525 G547 R548 I674 | N505-Y550 HydrophobicContact CB-CD1 4.15Å; N505-Y550 HydrophobicContact CB-CE1 3.83Å; N505-Y550 WeakPolarHBondContact O-CD1 3.21Å; L506-Y550 HydrophobicContact CD2-CD1 4.12Å; L506-Y550 HydrophobicContact CD2-CE1 3.75Å; L506-Y550 HydrophobicContact CG-CE1 4.41Å; L525-Y550 WeakPolarHBondContact CD2-O 3.45Å; G547-Y550 PolarHBondContact O-N 3.47Å; R548-Y550 PolarHBondContact O-N 2.89Å; Y550-I674 WeakPolarHBondContact OH-CD1 3.05Å |
| 551 | N | 92.3 | Very high | 89.7 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 144.8 | 176.1 | -66.5 | 0.2 | 0 | 0 | 0 | 110.3 | L526 R548 L549 T574 I576 | L526-N551 PolarHBondContact N-O 2.67Å; R548-N551 VanDerWaalsContact O-CB 3.26Å; R548-N551 WeakPolarHBondContact O-CB 3.07Å; R548-N551 PolarHBondContact O-N 3.04Å; R548-N551 VanDerWaalsContact O-N 3.1Å; L549-N551 VanDerWaalsContact C-N 3.27Å; L549-N551 PolarHBondContact O-N 3.49Å; N551-T574 CarbonylContact C-O 3.54Å; N551-T574 VanDerWaalsContact CA-O 3.22Å; N551-T574 WeakPolarHBondContact CA-O 3.28Å; N551-T574 WeakPolarHBondContact CB-O 3.45Å; N551-T574 WeakPolarHBondContact OD1-CB 3.31Å; N551-I576 HydrophobicContact CB-CD1 3.66Å; N551-I576 HydrophobicContact CB-CG1 3.97Å |
| 552 | I | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.9 | -179.1 | -57 | 150.8 | 0 | 0 | 0 | 108.9 | F508 V522 G524 L525 V554 Y573 T574 I575 I576 | F508-I552 HydrophobicContact CD1-CD1 4.37Å; F508-I552 HydrophobicContact CD1-CG1 4.36Å; F508-I552 HydrophobicContact CD1-CG2 4.27Å; F508-I552 HydrophobicContact CD2-CD1 3.42Å; F508-I552 VanDerWaalsContact CD2-CD1 3.42Å; F508-I552 HydrophobicContact CD2-CG1 3.94Å; F508-I552 HydrophobicContact CE1-CD1 4.1Å; F508-I552 HydrophobicContact CE1-CG1 4.43Å; F508-I552 HydrophobicContact CE1-CG2 4Å; F508-I552 HydrophobicContact CE2-CD1 3.11Å; F508-I552 HydrophobicContact CE2-CG1 4.05Å; F508-I552 HydrophobicContact CG-CD1 4.07Å; F508-I552 HydrophobicContact CG-CG1 4.12Å; F508-I552 HydrophobicContact CZ-CD1 3.49Å; F508-I552 VanDerWaalsContact CZ-CD1 3.49Å; F508-I552 HydrophobicContact CZ-CG1 4.29Å; F508-I552 HydrophobicContact CZ-CG2 4.36Å; V522-I552 HydrophobicContact CG1-CG2 4.07Å; G524-I552 CarbonylContact O-C 3.55Å; G524-I552 WeakPolarHBondContact O-CA 3.45Å; L525-I552 HydrophobicContact CD2-CG1 3.94Å; I552-V554 HydrophobicContact CG2-CG1 4.22Å; I552-Y573 VanDerWaalsContact CD1-CB 3.49Å; I552-Y573 HydrophobicContact CD1-CD1 3.81Å; I552-Y573 HydrophobicContact CD1-CD2 4.33Å; I552-Y573 HydrophobicContact CD1-CG 3.63Å; I552-Y573 HydrophobicContact CG1-CD1 4.36Å; I552-T574 PolarHBondContact N-O 3.23Å; I552-I575 HydrophobicContact CB-CG1 4.36Å; I552-I575 HydrophobicContact CD1-CG1 4.24Å; I552-I575 CarbonylContact O-C 3.55Å; I552-I575 WeakPolarHBondContact O-CA 3.42Å; I552-I576 PolarHBondContact O-N 3.06Å |
| 553 | V | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.4 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 109.7 | K523 G524 L526 L529 L578 L616 A619 | K523-V553 HydrophobicContact CB-CB 4.19Å; K523-V553 HydrophobicContact CB-CG1 4.3Å; K523-V553 PolarHBondContact N-O 3.49Å; G524-V553 PolarHBondContact N-O 3.01Å; G524-V553 PolarHBondContact O-N 3.23Å; L526-V553 HydrophobicContact CB-CG2 4.45Å; L526-V553 HydrophobicContact CD1-CG2 3.77Å; L529-V553 HydrophobicContact CD1-CB 4.1Å; L529-V553 HydrophobicContact CD1-CG2 4.12Å; V553-L578 HydrophobicContact CG1-CD1 3.85Å; V553-L578 HydrophobicContact CG1-CD2 3.69Å; V553-L578 HydrophobicContact CG1-CG 3.66Å; V553-L616 HydrophobicContact CG1-CD2 3.94Å; V553-A619 HydrophobicContact CG1-CB 4.42Å; V553-A619 HydrophobicContact CG2-CB 4.28Å |
| 554 | V | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.5 | 177.4 | -61 | 0 | 0 | 0 | 0 | 110.4 | V522 I552 T556 I563 I575 I576 P577 L578 | V522-V554 HydrophobicContact CG1-CG1 4.46Å; I552-V554 HydrophobicContact CG2-CG1 4.22Å; V554-T556 VanDerWaalsContact CG2-O 3.27Å; V554-T556 WeakPolarHBondContact CG2-O 3.43Å; V554-I563 HydrophobicContact CG1-CD1 4.09Å; V554-I575 HydrophobicContact CB-CG2 4.23Å; V554-I575 HydrophobicContact CG1-CG2 3.78Å; V554-I575 HydrophobicContact CG2-CG2 3.39Å; V554-I576 PolarHBondContact N-O 2.84Å; V554-P577 HydrophobicContact CG2-CB 4.13Å; V554-L578 WeakPolarHBondContact O-CG 3.31Å; V554-L578 PolarHBondContact O-N 3.22Å |
| 555 | D | 91.1 | Very high | 90.1 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -59.9 | -45.9 | 179.1 | 65.6 | -18.8 | 0 | 0 | 0 | 113.3 | K521 T559 N579 | K521-D555 WeakPolarHBondContact CG-OD2 3.33Å; K521-D555 PolarHBondContact O-N 3.28Å; K521-D555 VanDerWaalsContact O-N 3.08Å; D555-T559 VanDerWaalsContact OD1-CB 3.32Å; D555-T559 WeakPolarHBondContact OD1-CB 3.28Å; D555-T559 WeakPolarHBondContact OD1-CG2 3.33Å; D555-T559 PolarHBondContact OD1-OG1 3.41Å; D555-N579 PolarHBondContact O-N 2.98Å |
| 556 | T | 91.5 | Very high | 90 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 25% | 0.245 | 26% | 0.264 | C | S | . | . | trans | -139 | 162 | -172.9 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | V554 V558 T559 G560 N579 | V554-T556 VanDerWaalsContact CG2-O 3.27Å; V554-T556 WeakPolarHBondContact CG2-O 3.43Å; T556-V558 PolarHBondContact O-N 2.87Å; T556-T559 PolarHBondContact N-OG1 2.94Å; T556-T559 PolarHBondContact O-OG1 3.43Å; T556-T559 PolarHBondContact OG1-N 3.02Å; T556-T559 PolarHBondContact OG1-OG1 3.38Å; T556-G560 PolarHBondContact O-N 3.12Å; T556-N579 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 557 | E | 91.5 | Very high | 89.9 | Confident | 63 Ų | 63 | 49 Ų | 49 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -26.8 | 173.4 | 84.7 | -76.9 | -150.7 | 0 | 0 | 112.6 | K561 P577 N579 K580 | E557-K561 WeakPolarHBondContact O-CB 3.45Å; E557-K561 PolarHBondContact O-N 3.03Å; E557-P577 HydrophobicContact CB-CB 4.05Å; E557-P577 HydrophobicContact CB-CG 4.27Å; E557-N579 PolarHBondContact N-OD1 2.85Å; E557-N579 PolarHBondContact OE2-ND2 3.42Å; E557-N579 PolarHBondContact OE2-OD1 3.14Å; E557-K580 HydrophobicContact CB-CD 4.06Å; E557-K580 VanDerWaalsContact CD-NZ 3.3Å; E557-K580 HydrophobicContact CG-CD 4Å; E557-K580 WeakPolarHBondContact OE1-CE 3.28Å; E557-K580 IonicContact OE1-NZ 2.88Å; E557-K580 PolarHBondContact OE1-NZ 3.47Å |
| 558 | V | 91.6 | Very high | 89.9 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 48% | 0.479 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.2 | -44.7 | -179.9 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | T556 K561 K562 | T556-V558 PolarHBondContact O-N 2.87Å; V558-K561 PolarHBondContact O-N 3.48Å; V558-K562 WeakPolarHBondContact O-CG 3.32Å; V558-K562 PolarHBondContact O-N 2.95Å |
| 559 | T | 90.4 | Very high | 89.7 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.3 | -43.3 | 175.9 | 49.8 | 0 | 0 | 0 | 0 | 111.2 | W517 K521 D555 T556 K561 K562 I563 | W517-T559 HydrophobicContact CH2-CG2 4.23Å; K521-T559 HydrophobicContact CB-CG2 4.21Å; K521-T559 HydrophobicContact CD-CG2 3.95Å; D555-T559 VanDerWaalsContact OD1-CB 3.32Å; D555-T559 WeakPolarHBondContact OD1-CB 3.28Å; D555-T559 WeakPolarHBondContact OD1-CG2 3.33Å; D555-T559 PolarHBondContact OD1-OG1 3.41Å; T556-T559 PolarHBondContact N-OG1 2.94Å; T556-T559 PolarHBondContact O-OG1 3.43Å; T556-T559 PolarHBondContact OG1-N 3.02Å; T556-T559 PolarHBondContact OG1-OG1 3.38Å; T559-K561 VanDerWaalsContact C-N 3.32Å; T559-K561 PolarHBondContact O-N 3.32Å; T559-K562 PolarHBondContact O-N 2.96Å; T559-I563 VanDerWaalsContact O-CG1 3.3Å; T559-I563 WeakPolarHBondContact O-CG1 3.22Å; T559-I563 PolarHBondContact O-N 3.4Å |
| 560 | G | 89.9 | Confident | 89.3 | Confident | 4 Ų | 4 | 56.9 Ų | 56.9 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.7 | -44.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | T556 I563 L564 | T556-G560 PolarHBondContact O-N 3.12Å; G560-I563 PolarHBondContact O-N 3.39Å; G560-L564 WeakPolarHBondContact O-CG 3.29Å; G560-L564 PolarHBondContact O-N 3.33Å |
| 561 | K | 90.3 | Very high | 89 | Confident | 123 Ų | 123 | 59.3 Ų | 59.3 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 176.4 | -176.4 | 177.7 | 176 | -179.8 | 0 | 112.1 | E557 V558 T559 I563 L564 E565 | E557-K561 WeakPolarHBondContact O-CB 3.45Å; E557-K561 PolarHBondContact O-N 3.03Å; V558-K561 PolarHBondContact O-N 3.48Å; T559-K561 VanDerWaalsContact C-N 3.32Å; T559-K561 PolarHBondContact O-N 3.32Å; K561-I563 VanDerWaalsContact C-N 3.31Å; K561-I563 PolarHBondContact O-N 3.14Å; K561-L564 PolarHBondContact O-N 3.37Å; K561-E565 WeakPolarHBondContact CE-OE1 3.47Å; K561-E565 HydrophobicContact CG-CG 4.37Å; K561-E565 IonicContact NZ-OE1 3.67Å; K561-E565 WeakPolarHBondContact O-CG 3.4Å; K561-E565 PolarHBondContact O-N 2.93Å |
| 562 | K | 90.6 | Very high | 88.6 | Confident | 65 Ų | 65 | 70.2 Ų | 70.2 | 28% | 0.283 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 178.3 | -74.3 | -176.5 | 179.8 | -163.5 | 0 | 112.2 | P513 E514 W517 V558 T559 K566 | P513-K562 HydrophobicContact CB-CB 4.24Å; P513-K562 HydrophobicContact CG-CB 4.49Å; E514-K562 IonicContact OE1-NZ 2.85Å; E514-K562 PolarHBondContact OE1-NZ 3.09Å; E514-K562 IonicContact OE2-NZ 3.53Å; E514-K562 PolarHBondContact OE2-NZ 2.49Å; W517-K562 HydrophobicContact CH2-CB 4.13Å; W517-K562 HydrophobicContact CH2-CD 4.4Å; W517-K562 HydrophobicContact CZ3-CB 4.17Å; W517-K562 HydrophobicContact CZ3-CD 3.77Å; V558-K562 WeakPolarHBondContact O-CG 3.32Å; V558-K562 PolarHBondContact O-N 2.95Å; T559-K562 PolarHBondContact O-N 2.96Å; K562-K566 PolarHBondContact O-N 2.96Å |
| 563 | I | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177 | -65.5 | 163.7 | 0 | 0 | 0 | 110.9 | F508 P513 W517 V522 V554 T559 G560 K561 G567 L569 I575 | F508-I563 HydrophobicContact CZ-CG2 4.05Å; P513-I563 HydrophobicContact CG-CG1 4.34Å; W517-I563 HydrophobicContact CH2-CG1 4.1Å; W517-I563 HydrophobicContact CZ2-CD1 4.01Å; W517-I563 HydrophobicContact CZ2-CG1 3.78Å; V522-I563 HydrophobicContact CG2-CD1 3.42Å; V522-I563 VanDerWaalsContact CG2-CD1 3.42Å; V554-I563 HydrophobicContact CG1-CD1 4.09Å; T559-I563 VanDerWaalsContact O-CG1 3.3Å; T559-I563 WeakPolarHBondContact O-CG1 3.22Å; T559-I563 PolarHBondContact O-N 3.4Å; G560-I563 PolarHBondContact O-N 3.39Å; K561-I563 VanDerWaalsContact C-N 3.31Å; K561-I563 PolarHBondContact O-N 3.14Å; I563-G567 WeakPolarHBondContact O-CA 3.25Å; I563-G567 PolarHBondContact O-N 3Å; I563-L569 HydrophobicContact CG2-CD1 4.34Å; I563-L569 HydrophobicContact CG2-CD2 4.07Å; I563-I575 HydrophobicContact CB-CD1 4.46Å; I563-I575 HydrophobicContact CG2-CD1 4.34Å |
| 564 | L | 89.3 | Confident | 88.3 | Confident | 99 Ų | 99 | 75.8 Ų | 75.8 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 178.3 | -71.2 | 168.8 | 0 | 0 | 0 | 112.7 | G560 K561 L569 I575 | G560-L564 WeakPolarHBondContact O-CG 3.29Å; G560-L564 PolarHBondContact O-N 3.33Å; K561-L564 PolarHBondContact O-N 3.37Å; L564-L569 HydrophobicContact CD2-CD1 3.86Å; L564-I575 HydrophobicContact CD1-CD1 4.04Å; L564-I575 HydrophobicContact CD2-CD1 3.89Å; L564-I575 HydrophobicContact CD2-CG1 4.43Å; L564-I575 HydrophobicContact CG-CD1 3.64Å |
| 565 | E | 87.8 | Confident | 88.2 | Confident | 126 Ų | 126 | 77.2 Ų | 77.2 | 59% | 0.589 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -81.3 | -37.1 | -177.4 | -71.5 | 178.9 | 169.4 | 0 | 0 | 113.4 | K561 | K561-E565 WeakPolarHBondContact CE-OE1 3.47Å; K561-E565 HydrophobicContact CG-CG 4.37Å; K561-E565 IonicContact NZ-OE1 3.67Å; K561-E565 WeakPolarHBondContact O-CG 3.4Å; K561-E565 PolarHBondContact O-N 2.93Å |
| 566 | K | 86.7 | Confident | 88.3 | Confident | 131 Ų | 131 | 75.2 Ų | 75.2 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -126.6 | 0.7 | -168.8 | -63.2 | -176.5 | 179.9 | -178.2 | 0 | 114.8 | P513 K562 E568 | P513-K566 HydrophobicContact CB-CB 4.02Å; K562-K566 PolarHBondContact O-N 2.96Å; K566-E568 PolarHBondContact O-N 3.15Å |
| 567 | G | 83.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -83.3 | -1.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K511 I563 L569 | K511-G567 PolarHBondContact N-O 2.87Å; K511-G567 WeakPolarHBondContact O-CA 3.45Å; I563-G567 WeakPolarHBondContact O-CA 3.25Å; I563-G567 PolarHBondContact O-N 3Å; G567-L569 VanDerWaalsContact C-N 3.29Å; G567-L569 PolarHBondContact O-N 2.8Å |
| 568 | E | 85.8 | Confident | 88.4 | Confident | 119 Ų | 119 | 72.8 Ų | 72.8 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | trans | 48.8 | 47.6 | -179.5 | -69.9 | 176 | -164.1 | 0 | 0 | 113 | K511 K566 Q570 | K511-E568 HydrophobicContact CB-CB 4.42Å; K511-E568 VanDerWaalsContact CD-CD 3.48Å; K511-E568 HydrophobicContact CD-CG 4.3Å; K511-E568 VanDerWaalsContact CD-OE2 3.25Å; K511-E568 WeakPolarHBondContact CD-OE2 3.46Å; K511-E568 VanDerWaalsContact NZ-CD 3.33Å; K511-E568 IonicContact NZ-OE1 3.43Å; K511-E568 PolarHBondContact NZ-OE1 3.09Å; K511-E568 IonicContact NZ-OE2 3.69Å; K511-E568 PolarHBondContact NZ-OE2 3.37Å; K566-E568 PolarHBondContact O-N 3.15Å; E568-Q570 PolarHBondContact O-N 3.39Å; E568-Q570 PolarHBondContact O-NE2 2.7Å | ||
| 569 | L | 85.5 | Confident | 88.3 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | trans | -65.2 | 127.7 | -175 | -57.4 | 179.3 | 0 | 0 | 0 | 111.4 | F508 I563 L564 G567 R571 Y573 | F508-L569 HydrophobicContact CE2-CD2 3.8Å; F508-L569 HydrophobicContact CZ-CD2 4.11Å; I563-L569 HydrophobicContact CG2-CD1 4.34Å; I563-L569 HydrophobicContact CG2-CD2 4.07Å; L564-L569 HydrophobicContact CD2-CD1 3.86Å; G567-L569 VanDerWaalsContact C-N 3.29Å; G567-L569 PolarHBondContact O-N 2.8Å; L569-R571 VanDerWaalsContact C-N 3.27Å; L569-R571 PolarHBondContact O-N 3.4Å; L569-Y573 HydrophobicContact CB-CD2 4.31Å; L569-Y573 HydrophobicContact CB-CE2 4.48Å; L569-Y573 HydrophobicContact CD1-CD2 4.18Å | ||
| 570 | Q | 80.1 | Confident | 88.2 | Confident | 165 Ų | 165 | 78.5 Ų | 78.5 | 77% | 0.771 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -75.7 | -14.9 | -177.4 | -60 | -61.2 | -51.7 | 0 | 0 | 113.5 | E568 | E568-Q570 PolarHBondContact O-N 3.39Å; E568-Q570 PolarHBondContact O-NE2 2.7Å |
| 571 | R | 82.3 | Confident | 88.1 | Confident | 121 Ų | 121 | 79.9 Ų | 79.9 | 46% | 0.457 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -145.4 | 163.7 | -172.9 | -60.7 | -179.4 | -177.6 | -176.4 | -2.5 | 110.7 | P504 N505 L569 Y573 | P504-R571 PolarHBondContact O-NH1 3.47Å; N505-R571 PolarHBondContact OD1-NH1 2.99Å; L569-R571 VanDerWaalsContact C-N 3.27Å; L569-R571 PolarHBondContact O-N 3.4Å; R571-Y573 HydrophobicContact CB-CE2 3.93Å; R571-Y573 WeakPolarHBondContact O-CD2 3.48Å; R571-Y573 PolarHBondContact O-N 3.38Å |
| 572 | R | 83.8 | Confident | 87.9 | Confident | 243 Ų | 243 | 79 Ų | 79 | 92% | 0.917 | 38% | 0.375 | S | S | * | . | trans | -74.5 | 117.4 | 173.5 | -173.8 | 178 | -179.5 | -179.2 | 0.5 | 109.6 | ||||
| 573 | Y | 87.3 | Confident | 87.5 | Confident | 37 Ų | 37 | 77.5 Ų | 77.5 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | trans | -115.4 | 155.9 | 173.8 | -64.4 | -80.2 | 0 | 0 | 0 | 111.4 | R507 F508 I552 L569 R571 | R507-Y573 PolarHBondContact O-OH 2.9Å; F508-Y573 HydrophobicContact CD2-CD1 4.31Å; F508-Y573 HydrophobicContact CD2-CD2 4.35Å; F508-Y573 HydrophobicContact CD2-CE1 4.05Å; F508-Y573 HydrophobicContact CD2-CE2 4.06Å; F508-Y573 HydrophobicContact CD2-CG 4.46Å; F508-Y573 AromaticContact CD2-CZ 3.92Å; F508-Y573 HydrophobicContact CE2-CD2 4.12Å; F508-Y573 HydrophobicContact CE2-CE2 4.14Å; F508-Y573 HydrophobicContact CE2-CG 4.4Å; I552-Y573 VanDerWaalsContact CD1-CB 3.49Å; I552-Y573 HydrophobicContact CD1-CD1 3.81Å; I552-Y573 HydrophobicContact CD1-CD2 4.33Å; I552-Y573 HydrophobicContact CD1-CG 3.63Å; I552-Y573 HydrophobicContact CG1-CD1 4.36Å; L569-Y573 HydrophobicContact CB-CD2 4.31Å; L569-Y573 HydrophobicContact CB-CE2 4.48Å; L569-Y573 HydrophobicContact CD1-CD2 4.18Å; R571-Y573 HydrophobicContact CB-CE2 3.93Å; R571-Y573 WeakPolarHBondContact O-CD2 3.48Å; R571-Y573 PolarHBondContact O-N 3.38Å | ||
| 574 | T | 90.6 | Very high | 86.9 | Confident | 80 Ų | 80 | 86.2 Ų | 86.2 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | trans | -110.8 | 128.7 | 169.9 | -54.1 | 0 | 0 | 0 | 0 | 108.1 | N551 I552 | N551-T574 CarbonylContact C-O 3.54Å; N551-T574 VanDerWaalsContact CA-O 3.22Å; N551-T574 WeakPolarHBondContact CA-O 3.28Å; N551-T574 WeakPolarHBondContact CB-O 3.45Å; N551-T574 WeakPolarHBondContact OD1-CB 3.31Å; I552-T574 PolarHBondContact N-O 3.23Å | ||
| 575 | I | 91.8 | Very high | 86.7 | Confident | 30 Ų | 30 | 85.2 Ų | 85.2 | 15% | 0.154 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 135 | -176.6 | -58.5 | -174.2 | 0 | 0 | 0 | 109.9 | I552 V554 I563 L564 P577 | I552-I575 HydrophobicContact CB-CG1 4.36Å; I552-I575 HydrophobicContact CD1-CG1 4.24Å; I552-I575 CarbonylContact O-C 3.55Å; I552-I575 WeakPolarHBondContact O-CA 3.42Å; V554-I575 HydrophobicContact CB-CG2 4.23Å; V554-I575 HydrophobicContact CG1-CG2 3.78Å; V554-I575 HydrophobicContact CG2-CG2 3.39Å; I563-I575 HydrophobicContact CB-CD1 4.46Å; I563-I575 HydrophobicContact CG2-CD1 4.34Å; L564-I575 HydrophobicContact CD1-CD1 4.04Å; L564-I575 HydrophobicContact CD2-CD1 3.89Å; L564-I575 HydrophobicContact CD2-CG1 4.43Å; L564-I575 HydrophobicContact CG-CD1 3.64Å; I575-P577 WeakPolarHBondContact O-CD 3.41Å |
| 576 | I | 93.1 | Very high | 86.6 | Confident | 5 Ų | 5 | 80.6 Ų | 80.6 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 102.3 | 175.9 | -60 | 173.1 | 0 | 0 | 0 | 108.6 | N551 I552 V554 I581 A619 Y622 | N551-I576 HydrophobicContact CB-CD1 3.66Å; N551-I576 HydrophobicContact CB-CG1 3.97Å; I552-I576 PolarHBondContact O-N 3.06Å; V554-I576 PolarHBondContact N-O 2.84Å; I576-I581 HydrophobicContact CG2-CB 4.06Å; I576-I581 HydrophobicContact CG2-CD1 4.14Å; I576-I581 HydrophobicContact CG2-CG1 3.9Å; I576-I581 HydrophobicContact CG2-CG2 4.33Å; I576-A619 HydrophobicContact CG2-CB 4.24Å; I576-Y622 HydrophobicContact CD1-CD1 4.33Å |
| 577 | P | 93.3 | Very high | 86.5 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 19% | 0.188 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 118.5 | 172.5 | 30 | -32.2 | 0 | 0 | 0 | 111.3 | V554 E557 I575 N579 K580 I581 | V554-P577 HydrophobicContact CG2-CB 4.13Å; E557-P577 HydrophobicContact CB-CB 4.05Å; E557-P577 HydrophobicContact CB-CG 4.27Å; I575-P577 WeakPolarHBondContact O-CD 3.41Å; P577-N579 PolarHBondContact O-N 2.91Å; P577-K580 HydrophobicContact CG-CB 4.31Å; P577-K580 PolarHBondContact O-N 3.19Å; P577-I581 WeakPolarHBondContact O-CB 3.45Å; P577-I581 PolarHBondContact O-N 2.92Å |
| 578 | L | 91.2 | Very high | 86.5 | Confident | 23 Ų | 23 | 85.9 Ų | 85.9 | 12% | 0.12 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.4 | -175.4 | -70.8 | 174 | 0 | 0 | 0 | 113.5 | V553 V554 L616 A619 | V553-L578 HydrophobicContact CG1-CD1 3.85Å; V553-L578 HydrophobicContact CG1-CD2 3.69Å; V553-L578 HydrophobicContact CG1-CG 3.66Å; V554-L578 WeakPolarHBondContact O-CG 3.31Å; V554-L578 PolarHBondContact O-N 3.22Å; L578-L616 HydrophobicContact CD1-CD2 4.25Å; L578-A619 HydrophobicContact CD2-CB 3.81Å |
| 579 | N | 90.4 | Very high | 86.5 | Confident | 76 Ų | 76 | 89 Ų | 89 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -21.3 | 179.6 | 74.9 | -32.7 | 0 | 0 | 0 | 114.5 | D555 T556 E557 P577 | D555-N579 PolarHBondContact O-N 2.98Å; T556-N579 WeakPolarHBondContact CA-OD1 3.38Å; E557-N579 PolarHBondContact N-OD1 2.85Å; E557-N579 PolarHBondContact OE2-ND2 3.42Å; E557-N579 PolarHBondContact OE2-OD1 3.14Å; P577-N579 PolarHBondContact O-N 2.91Å |
| 580 | K | 87.1 | Confident | 86.4 | Confident | 131 Ų | 131 | 88.5 Ų | 88.5 | 57% | 0.57 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -14 | -176.4 | -75.8 | -166.9 | 178.4 | 170.1 | 0 | 115.1 | E557 P577 S582 | E557-K580 HydrophobicContact CB-CD 4.06Å; E557-K580 VanDerWaalsContact CD-NZ 3.3Å; E557-K580 HydrophobicContact CG-CD 4Å; E557-K580 WeakPolarHBondContact OE1-CE 3.28Å; E557-K580 IonicContact OE1-NZ 2.88Å; E557-K580 PolarHBondContact OE1-NZ 3.47Å; P577-K580 HydrophobicContact CG-CB 4.31Å; P577-K580 PolarHBondContact O-N 3.19Å; K580-S582 PolarHBondContact O-N 3.42Å |
| 581 | I | 89.2 | Confident | 86.7 | Confident | 34 Ų | 34 | 81.7 Ų | 81.7 | 17% | 0.174 | 40% | 0.404 | C | S | . | . | trans | -64.5 | 129.4 | -179.5 | -165.7 | 64.4 | 0 | 0 | 0 | 110.7 | I576 P577 K618 Y622 | I576-I581 HydrophobicContact CG2-CB 4.06Å; I576-I581 HydrophobicContact CG2-CD1 4.14Å; I576-I581 HydrophobicContact CG2-CG1 3.9Å; I576-I581 HydrophobicContact CG2-CG2 4.33Å; P577-I581 WeakPolarHBondContact O-CB 3.45Å; P577-I581 PolarHBondContact O-N 2.92Å; I581-K618 HydrophobicContact CG2-CB 3.85Å; I581-Y622 HydrophobicContact CD1-CD1 4.05Å; I581-Y622 HydrophobicContact CD1-CD2 3.64Å; I581-Y622 HydrophobicContact CD1-CE1 4.23Å; I581-Y622 HydrophobicContact CD1-CE2 3.83Å; I581-Y622 HydrophobicContact CD1-CG 3.76Å; I581-Y622 HydrophobicContact CG1-CD1 4.35Å; I581-Y622 HydrophobicContact CG1-CD2 3.98Å; I581-Y622 HydrophobicContact CG1-CG 3.81Å | ||
| 582 | S | 84.9 | Confident | 86.9 | Confident | 103 Ų | 103 | 80.7 Ų | 80.7 | 72% | 0.72 | 41% | 0.407 | S | S | * | . | trans | -108.6 | 125.6 | 172.1 | 59 | 0 | 0 | 0 | 0 | 109.2 | K580 | K580-S582 PolarHBondContact O-N 3.42Š| ||
| 583 | A | 82.1 | Confident | 86.9 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | trans | -112.7 | 144.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E621 | A583-E621 HydrophobicContact CB-CB 3.54Š| ||
| 584 | K | 79.8 | Confident | 86.8 | Confident | 182 Ų | 182 | 68 Ų | 68 | 79% | 0.791 | 36% | 0.362 | S | S | * | . | trans | -112.8 | 124.6 | 169.8 | -70.5 | -175.6 | 179.3 | -178.9 | 0 | 108.1 | ||||
| 585 | T | 85.1 | Confident | 86.6 | Confident | 78 Ų | 78 | 67.1 Ų | 67.1 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -101 | 158.3 | 174.1 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | E621 G625 | T585-E621 HydrophobicContact CG2-CB 4.04Å; T585-E621 HydrophobicContact CG2-CG 3.87Å; T585-G625 WeakPolarHBondContact CA-O 3.25Å |
| 586 | L | 84.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 141.7 | 174.9 | -63.9 | 171.7 | 0 | 0 | 0 | 111.1 | I591 G625 L628 T647 | L586-I591 HydrophobicContact CB-CD1 4.14Å; L586-I591 HydrophobicContact CB-CG1 4.1Å; L586-G625 PolarHBondContact N-O 3.46Å; L586-G625 VanDerWaalsContact N-O 3.13Å; L586-L628 HydrophobicContact CD1-CD2 3.69Å; L586-L628 HydrophobicContact CD1-CG 3.81Å; L586-T647 HydrophobicContact CD1-CG2 3.93Å; L586-T647 HydrophobicContact CD2-CG2 3.54Å; L586-T647 HydrophobicContact CG-CG2 4.39Å |
| 587 | N | 85.8 | Confident | 85.8 | Confident | 121 Ų | 121 | 74 Ų | 74 | 65% | 0.647 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 140.8 | 174.8 | -75.2 | -26.4 | 0 | 0 | 0 | 110.8 | K589 V590 I591 | N587-K589 PolarHBondContact O-N 2.68Å; N587-K589 VanDerWaalsContact O-N 3.09Å; N587-V590 HydrophobicContact CB-CG2 4.35Å; N587-V590 WeakPolarHBondContact O-CB 3.38Å; N587-V590 PolarHBondContact O-N 2.86Å; N587-I591 PolarHBondContact O-N 2.85Å |
| 588 | D | 83.3 | Confident | 85.3 | Confident | 122 Ų | 122 | 73.4 Ų | 73.4 | 65% | 0.652 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.4 | -30.1 | -178.7 | -64.3 | -31.1 | 0 | 0 | 0 | 113.6 | V590 I591 N592 | D588-V590 VanDerWaalsContact C-N 3.31Å; D588-V590 PolarHBondContact O-N 2.77Å; D588-I591 PolarHBondContact O-N 2.96Å; D588-N592 WeakPolarHBondContact O-CB 3.27Å; D588-N592 PolarHBondContact O-N 2.92Å; D588-N592 PolarHBondContact O-ND2 3.38Å |
| 589 | K | 84.2 | Confident | 84.8 | Confident | 185 Ų | 185 | 73.8 Ų | 73.8 | 80% | 0.804 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.2 | -39 | 174.1 | -67.1 | -174.9 | 179.4 | -178.7 | 0 | 112.4 | N587 A593 | N587-K589 PolarHBondContact O-N 2.68Å; N587-K589 VanDerWaalsContact O-N 3.09Å; K589-A593 WeakPolarHBondContact O-CB 3.35Å; K589-A593 PolarHBondContact O-N 2.95Å |
| 590 | V | 84.9 | Confident | 84.4 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 179 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | N587 D588 A593 A594 V645 | N587-V590 HydrophobicContact CB-CG2 4.35Å; N587-V590 WeakPolarHBondContact O-CB 3.38Å; N587-V590 PolarHBondContact O-N 2.86Å; D588-V590 VanDerWaalsContact C-N 3.31Å; D588-V590 PolarHBondContact O-N 2.77Å; V590-A593 PolarHBondContact O-N 3.36Å; V590-A594 WeakPolarHBondContact O-CB 3.48Å; V590-A594 PolarHBondContact O-N 2.78Å; V590-V645 HydrophobicContact CG1-CB 4.46Å; V590-V645 HydrophobicContact CG1-CG1 3.92Å |
| 591 | I | 85.8 | Confident | 84 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 11% | 0.113 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.2 | -61.1 | 167.6 | 0 | 0 | 0 | 110.4 | L586 N587 D588 A594 K595 T605 | L586-I591 HydrophobicContact CB-CD1 4.14Å; L586-I591 HydrophobicContact CB-CG1 4.1Å; N587-I591 PolarHBondContact O-N 2.85Å; D588-I591 PolarHBondContact O-N 2.96Å; I591-A594 PolarHBondContact O-N 2.98Å; I591-K595 HydrophobicContact CG2-CD 4.2Å; I591-K595 WeakPolarHBondContact O-CG 3.42Å; I591-K595 PolarHBondContact O-N 3.02Å; I591-T605 HydrophobicContact CD1-CG2 3.7Å; I591-T605 HydrophobicContact CG1-CG2 3.93Å; I591-T605 HydrophobicContact CG2-CG2 4.29Å |
| 592 | N | 85.7 | Confident | 83.9 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 54% | 0.535 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 178.8 | -69.1 | -20.8 | 0 | 0 | 0 | 112.3 | D588 K595 S596 | D588-N592 WeakPolarHBondContact O-CB 3.27Å; D588-N592 PolarHBondContact O-N 2.92Å; D588-N592 PolarHBondContact O-ND2 3.38Å; N592-K595 PolarHBondContact O-N 3.28Å; N592-S596 WeakPolarHBondContact O-CB 3.3Å; N592-S596 PolarHBondContact O-N 3.18Å; N592-S596 PolarHBondContact O-OG 3.37Å |
| 593 | A | 84.7 | Confident | 84 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 10% | 0.099 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | K589 V590 K595 S596 L597 Q644 V645 | K589-A593 WeakPolarHBondContact O-CB 3.35Å; K589-A593 PolarHBondContact O-N 2.95Å; V590-A593 PolarHBondContact O-N 3.36Å; A593-K595 PolarHBondContact O-N 3Å; A593-S596 PolarHBondContact O-N 2.87Å; A593-S596 PolarHBondContact O-OG 2.97Å; A593-L597 WeakPolarHBondContact O-CD1 3.42Å; A593-L597 WeakPolarHBondContact O-CG 3.26Å; A593-L597 PolarHBondContact O-N 2.81Å; A593-Q644 HydrophobicContact CB-CB 4.48Å; A593-V645 HydrophobicContact CB-CG2 3.98Å |
| 594 | A | 84.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V590 I591 S596 L597 V598 V603 L628 V639 V645 | V590-A594 WeakPolarHBondContact O-CB 3.48Å; V590-A594 PolarHBondContact O-N 2.78Å; I591-A594 PolarHBondContact O-N 2.98Å; A594-S596 PolarHBondContact O-N 3.29Å; A594-L597 PolarHBondContact O-N 3.46Å; A594-V598 WeakPolarHBondContact O-CG2 3.23Å; A594-V598 PolarHBondContact O-N 3.05Å; A594-V603 HydrophobicContact CB-CG1 4.2Å; A594-L628 HydrophobicContact CB-CD1 3.89Å; A594-V639 HydrophobicContact CB-CG1 3.81Å; A594-V645 HydrophobicContact CB-CG1 4.18Å; A594-V645 HydrophobicContact CB-CG2 4.09Å |
| 595 | K | 87.4 | Confident | 84.8 | Confident | 63 Ų | 63 | 66.2 Ų | 66.2 | 27% | 0.274 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 176.3 | -73.6 | 175.8 | 176.1 | -177.2 | 0 | 113 | I591 N592 A593 L597 G599 Q600 | I591-K595 HydrophobicContact CG2-CD 4.2Å; I591-K595 WeakPolarHBondContact O-CG 3.42Å; I591-K595 PolarHBondContact O-N 3.02Å; N592-K595 PolarHBondContact O-N 3.28Å; A593-K595 PolarHBondContact O-N 3Å; K595-L597 VanDerWaalsContact C-N 3.27Å; K595-L597 PolarHBondContact O-N 2.94Å; K595-G599 CarbonylContact O-C 3.53Å; K595-G599 VanDerWaalsContact O-C 3.3Å; K595-G599 VanDerWaalsContact O-CA 3.25Å; K595-G599 WeakPolarHBondContact O-CA 3.41Å; K595-G599 PolarHBondContact O-N 3.08Å; K595-Q600 HydrophobicContact CD-CG 4.34Å |
| 596 | S | 85.6 | Confident | 84.8 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68 | -27 | 177.8 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | N592 A593 A594 | N592-S596 WeakPolarHBondContact O-CB 3.3Å; N592-S596 PolarHBondContact O-N 3.18Å; N592-S596 PolarHBondContact O-OG 3.37Å; A593-S596 PolarHBondContact O-N 2.87Å; A593-S596 PolarHBondContact O-OG 2.97Å; A594-S596 PolarHBondContact O-N 3.29Å |
| 597 | L | 82.9 | Confident | 85 | Confident | 81 Ų | 81 | 62.8 Ų | 62.8 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -77.7 | -39.1 | -176.6 | -80.6 | 160.9 | 0 | 0 | 0 | 113.5 | A593 A594 K595 D642 V645 | A593-L597 WeakPolarHBondContact O-CD1 3.42Å; A593-L597 WeakPolarHBondContact O-CG 3.26Å; A593-L597 PolarHBondContact O-N 2.81Å; A594-L597 PolarHBondContact O-N 3.46Å; K595-L597 VanDerWaalsContact C-N 3.27Å; K595-L597 PolarHBondContact O-N 2.94Å; L597-D642 HydrophobicContact CD1-CB 3.93Å; L597-V645 HydrophobicContact CD1-CG2 3.95Å |
| 598 | V | 82.7 | Confident | 85.1 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 11% | 0.109 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -128 | -0.9 | -171.4 | -66.8 | 0 | 0 | 0 | 0 | 114 | A594 N602 V603 N635 V639 | A594-V598 WeakPolarHBondContact O-CG2 3.23Å; A594-V598 PolarHBondContact O-N 3.05Å; V598-N602 WeakPolarHBondContact O-CB 3.34Å; V598-N602 PolarHBondContact O-ND2 3.45Å; V598-V603 HydrophobicContact CG2-CB 4.27Å; V598-V603 HydrophobicContact CG2-CG2 3.13Å; V598-N635 HydrophobicContact CB-CB 4.28Å; V598-N635 HydrophobicContact CG1-CB 3.98Å; V598-V639 HydrophobicContact CB-CG2 4.42Å; V598-V639 HydrophobicContact CG1-CG2 3.83Å; V598-V639 HydrophobicContact CG2-CG2 3.62Å |
| 599 | G | 80.6 | Confident | 85.3 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | trans | 99.6 | 152 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K595 D601 N602 | K595-G599 CarbonylContact O-C 3.53Å; K595-G599 VanDerWaalsContact O-C 3.3Å; K595-G599 VanDerWaalsContact O-CA 3.25Å; K595-G599 WeakPolarHBondContact O-CA 3.41Å; K595-G599 PolarHBondContact O-N 3.08Å; G599-D601 VanDerWaalsContact C-N 3.3Å; G599-D601 PolarHBondContact O-N 3.1Å; G599-N602 PolarHBondContact O-N 3.22Å | ||
| 600 | Q | 80.7 | Confident | 85.5 | Confident | 137 Ų | 137 | 47.2 Ų | 47.2 | 64% | 0.64 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -27.2 | -173.3 | -174 | 162.6 | -11.3 | 0 | 0 | 113.6 | K595 | K595-Q600 HydrophobicContact CD-CG 4.34Š|
| 601 | D | 80.1 | Confident | 85.5 | Confident | 130 Ų | 130 | 46.9 Ų | 46.9 | 70% | 0.695 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -9.6 | -178.7 | -57.4 | -32.5 | 0 | 0 | 0 | 113.1 | G599 H604 | G599-D601 VanDerWaalsContact C-N 3.3Å; G599-D601 PolarHBondContact O-N 3.1Å; D601-H604 PolarHBondContact O-NE2 3.41Å |
| 602 | N | 85.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 49.3 Ų | 49.3 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -101.5 | -6.1 | -174.8 | -62.4 | -26.4 | 0 | 0 | 0 | 112.8 | V598 G599 C630 D631 | V598-N602 WeakPolarHBondContact O-CB 3.34Å; V598-N602 PolarHBondContact O-ND2 3.45Å; G599-N602 PolarHBondContact O-N 3.22Å; N602-C630 WeakPolarHBondContact O-CA 3.37Å; N602-D631 PolarHBondContact O-N 2.98Å; N602-D631 PolarHBondContact OD1-OD2 3.03Å |
| 603 | V | 87.9 | Confident | 85.7 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 123.7 | 178.4 | 176.7 | 0 | 0 | 0 | 0 | 112 | A594 V598 L628 V629 V639 | A594-V603 HydrophobicContact CB-CG1 4.2Å; V598-V603 HydrophobicContact CG2-CB 4.27Å; V598-V603 HydrophobicContact CG2-CG2 3.13Å; V603-L628 HydrophobicContact CG1-CB 4.28Å; V603-L628 HydrophobicContact CG1-CD1 4.28Å; V603-L628 HydrophobicContact CG1-CD2 4.21Å; V603-L628 HydrophobicContact CG1-CG 4.5Å; V603-V629 WeakPolarHBondContact CA-O 3.31Å; V603-V639 HydrophobicContact CG2-CG2 4.12Å |
| 604 | H | 88.9 | Confident | 85.7 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152 | 176.6 | -57.5 | -78.3 | 0 | 0 | 0 | 111.3 | D601 L609 L628 V629 | D601-H604 PolarHBondContact O-NE2 3.41Å; H604-L609 HydrophobicContact CB-CD1 3.97Å; H604-L609 HydrophobicContact CB-CD2 4.1Å; H604-L609 HydrophobicContact CB-CG 4.12Å; H604-L628 WeakPolarHBondContact O-CA 3.34Å; H604-V629 PolarHBondContact N-O 2.92Å; H604-V629 PolarHBondContact O-N 3.32Å |
| 605 | T | 89.1 | Confident | 85.7 | Confident | 35 Ų | 35 | 59.3 Ų | 59.3 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 135 | 167.6 | 49 | 0 | 0 | 0 | 0 | 108.9 | I591 L607 S608 L628 | I591-T605 HydrophobicContact CD1-CG2 3.7Å; I591-T605 HydrophobicContact CG1-CG2 3.93Å; I591-T605 HydrophobicContact CG2-CG2 4.29Å; T605-L607 PolarHBondContact O-N 3.37Å; T605-L607 VanDerWaalsContact O-N 3.12Å; T605-S608 PolarHBondContact O-N 3.04Å; T605-S608 PolarHBondContact O-OG 3.23Å; T605-S608 WeakPolarHBondContact OG1-CB 3.43Å; T605-S608 PolarHBondContact OG1-OG 3.38Å; T605-L628 HydrophobicContact CG2-CD2 3.75Å |
| 606 | S | 87 | Confident | 85.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -59 | -29.3 | -179.2 | 41.8 | 0 | 0 | 0 | 0 | 113.2 | S608 L609 F624 T627 | S606-S608 VanDerWaalsContact C-N 3.31Å; S606-S608 PolarHBondContact O-N 3.37Å; S606-L609 PolarHBondContact O-N 3.2Å; S606-F624 PolarHBondContact OG-O 3.36Å; S606-T627 PolarHBondContact N-O 3.2Å; S606-T627 PolarHBondContact OG-O 2.79Å |
| 607 | L | 88.4 | Confident | 85.9 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 18% | 0.183 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -66 | -30.2 | 175.8 | -171.7 | 65.5 | 0 | 0 | 0 | 113.3 | T605 L609 Y612 M620 E621 F624 | T605-L607 PolarHBondContact O-N 3.37Å; T605-L607 VanDerWaalsContact O-N 3.12Å; L607-L609 VanDerWaalsContact C-N 3.3Å; L607-L609 PolarHBondContact O-N 3.41Å; L607-Y612 HydrophobicContact CD1-CE1 3.83Å; L607-M620 HydrophobicContact CD1-CB 3.81Å; L607-E621 HydrophobicContact CD2-CG 3.89Å; L607-F624 HydrophobicContact CB-CB 4.37Å; L607-F624 HydrophobicContact CD1-CB 4.32Å; L607-F624 PolarHBondContact N-O 3.17Å |
| 608 | S | 87.9 | Confident | 86.2 | Confident | 74 Ų | 74 | 60.5 Ų | 60.5 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -76.8 | -16.6 | -179.2 | 66.4 | 0 | 0 | 0 | 0 | 114 | T605 S606 | T605-S608 PolarHBondContact O-N 3.04Å; T605-S608 PolarHBondContact O-OG 3.23Å; T605-S608 WeakPolarHBondContact OG1-CB 3.43Å; T605-S608 PolarHBondContact OG1-OG 3.38Å; S606-S608 VanDerWaalsContact C-N 3.31Å; S606-S608 PolarHBondContact O-N 3.37Å |
| 609 | L | 86.8 | Confident | 86.5 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -94.6 | 1 | -177 | -60 | 174.2 | 0 | 0 | 0 | 113 | S533 Y537 L541 H604 S606 L607 V629 | S533-L609 PolarHBondContact OG-O 2.96Å; Y537-L609 HydrophobicContact CD1-CD1 3.69Å; Y537-L609 HydrophobicContact CD2-CD2 4.26Å; Y537-L609 HydrophobicContact CE1-CD1 4.25Å; Y537-L609 HydrophobicContact CE2-CD2 4.35Å; Y537-L609 HydrophobicContact CG-CD1 3.88Å; Y537-L609 HydrophobicContact CG-CD2 4.35Å; L541-L609 HydrophobicContact CD1-CB 4.14Å; L541-L609 HydrophobicContact CD2-CB 4.21Å; H604-L609 HydrophobicContact CB-CD1 3.97Å; H604-L609 HydrophobicContact CB-CD2 4.1Å; H604-L609 HydrophobicContact CB-CG 4.12Å; S606-L609 PolarHBondContact O-N 3.2Å; L607-L609 VanDerWaalsContact C-N 3.3Å; L607-L609 PolarHBondContact O-N 3.41Å; L609-V629 HydrophobicContact CD1-CB 4.15Å; L609-V629 HydrophobicContact CD1-CG1 4.44Å; L609-V629 HydrophobicContact CD1-CG2 4.2Å |
| 610 | V | 87.6 | Confident | 87 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 6% | 0.055 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.1 | -176.9 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | I530 L541 Y612 F624 | I530-V610 HydrophobicContact CB-CG1 3.67Å; I530-V610 HydrophobicContact CG2-CG1 3.62Å; L541-V610 HydrophobicContact CD1-CG2 3.9Å; L541-V610 HydrophobicContact CD2-CG2 3.77Å; L541-V610 HydrophobicContact CG-CG2 4.41Å; V610-Y612 HydrophobicContact CG1-CD1 4.32Å; V610-Y612 WeakPolarHBondContact O-CD1 3.09Å; V610-F624 HydrophobicContact CG1-CE2 4.5Å; V610-F624 HydrophobicContact CG2-CD1 4.39Å; V610-F624 HydrophobicContact CG2-CD2 4.33Å; V610-F624 HydrophobicContact CG2-CE1 4.32Å; V610-F624 HydrophobicContact CG2-CE2 4.27Å; V610-F624 HydrophobicContact CG2-CG 4.39Å; V610-F624 HydrophobicContact CG2-CZ 4.25Å |
| 611 | G | 86.3 | Confident | 87.4 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 139.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T531 | T531-G611 PolarHBondContact N-O 3.46Å; T531-G611 PolarHBondContact O-N 3.43Å; T531-G611 WeakPolarHBondContact OG1-CA 3.48Å; T531-G611 PolarHBondContact OG1-O 3.45Å |
| 612 | Y | 87.9 | Confident | 88 | Confident | 74 Ų | 74 | 51 Ų | 51 | 29% | 0.29 | 26% | 0.263 | S | S | . | . | trans | -160 | 160.8 | -178.8 | 56.4 | -93.2 | 0 | 0 | 0 | 112 | L607 V610 R617 M620 | L607-Y612 HydrophobicContact CD1-CE1 3.83Å; V610-Y612 HydrophobicContact CG1-CD1 4.32Å; V610-Y612 WeakPolarHBondContact O-CD1 3.09Å; Y612-R617 HydrophobicContact CE2-CB 3.92Å; Y612-R617 HydrophobicContact CE2-CG 4.22Å; Y612-M620 HydrophobicContact CD1-CB 4.02Å; Y612-M620 HydrophobicContact CD1-CG 3.68Å; Y612-M620 HydrophobicContact CD2-CB 4.35Å; Y612-M620 HydrophobicContact CD2-CG 3.79Å; Y612-M620 HydrophobicContact CE1-CB 3.92Å; Y612-M620 HydrophobicContact CE1-CG 4.09Å; Y612-M620 HydrophobicContact CE2-CB 4.28Å; Y612-M620 HydrophobicContact CE2-CG 4.22Å; Y612-M620 HydrophobicContact CG-CB 4.25Å; Y612-M620 HydrophobicContact CG-CG 3.52Å | ||
| 613 | E | 86.4 | Confident | 88.1 | Confident | 121 Ų | 121 | 48.4 Ų | 48.4 | 57% | 0.565 | 25% | 0.249 | S | C | * | . | trans | -72.1 | 144.7 | 175.1 | -65.4 | -179.2 | 176.8 | 0 | 0 | 112.2 | D615 L616 | E613-D615 PolarHBondContact O-N 2.53Å; E613-D615 VanDerWaalsContact O-N 3.1Å; E613-L616 HydrophobicContact CB-CD1 4.27Å; E613-L616 HydrophobicContact CB-CG 4.39Å; E613-L616 WeakPolarHBondContact O-CB 3.25Å; E613-L616 PolarHBondContact O-N 3.37Å | ||
| 614 | A | 84.8 | Confident | 88.3 | Confident | 85 Ų | 85 | 48.4 Ų | 48.4 | 70% | 0.702 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -55.2 | -35.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.9 | L616 R617 | A614-L616 PolarHBondContact O-N 2.67Å; A614-R617 WeakPolarHBondContact O-CB 3.47Å; A614-R617 PolarHBondContact O-N 3.45Å |
| 615 | D | 85.9 | Confident | 88.2 | Confident | 115 Ų | 115 | 46.6 Ų | 46.6 | 62% | 0.615 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -65 | -22.3 | 179.3 | -67.6 | -7.7 | 0 | 0 | 0 | 113.3 | E613 | E613-D615 PolarHBondContact O-N 2.53Å; E613-D615 VanDerWaalsContact O-N 3.1Å |
| 616 | L | 88.6 | Confident | 88.1 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -93.2 | -0.4 | -176.7 | -57.2 | 177.6 | 0 | 0 | 0 | 113.3 | K523 L529 V553 L578 E613 A614 K618 A619 M620 | K523-L616 HydrophobicContact CB-CD2 4.23Å; K523-L616 HydrophobicContact CG-CD2 4.11Å; L529-L616 HydrophobicContact CB-CD1 3.8Å; L529-L616 HydrophobicContact CD1-CD1 4Å; L529-L616 HydrophobicContact CD1-CD2 4.33Å; L529-L616 HydrophobicContact CD2-CD1 4.18Å; L529-L616 HydrophobicContact CG-CD1 4.22Å; V553-L616 HydrophobicContact CG1-CD2 3.94Å; L578-L616 HydrophobicContact CD1-CD2 4.25Å; E613-L616 HydrophobicContact CB-CD1 4.27Å; E613-L616 HydrophobicContact CB-CG 4.39Å; E613-L616 WeakPolarHBondContact O-CB 3.25Å; E613-L616 PolarHBondContact O-N 3.37Å; A614-L616 PolarHBondContact O-N 2.67Å; L616-K618 VanDerWaalsContact C-N 3.3Å; L616-K618 PolarHBondContact O-N 3.27Å; L616-K618 VanDerWaalsContact O-N 3.15Å; L616-A619 WeakPolarHBondContact O-CB 3.3Å; L616-A619 PolarHBondContact O-N 3Å; L616-M620 HydrophobicContact CB-CE 4.21Å; L616-M620 HydrophobicContact CD1-CE 4.3Å; L616-M620 PolarHBondContact O-N 3.1Å; L616-M620 VanDerWaalsContact O-N 3.1Å |
| 617 | R | 88.8 | Confident | 88.3 | Confident | 148 Ų | 148 | 47.9 Ų | 47.9 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -50.1 | -45.4 | -173.1 | -179.4 | 174.5 | 176.6 | 167.7 | 4.3 | 113.8 | Y612 A614 A619 M620 E621 | Y612-R617 HydrophobicContact CE2-CB 3.92Å; Y612-R617 HydrophobicContact CE2-CG 4.22Å; A614-R617 WeakPolarHBondContact O-CB 3.47Å; A614-R617 PolarHBondContact O-N 3.45Å; R617-A619 VanDerWaalsContact C-N 3.32Å; R617-A619 PolarHBondContact O-N 3.4Å; R617-M620 PolarHBondContact O-N 3.48Å; R617-E621 HydrophobicContact CG-CG 4.32Å; R617-E621 WeakPolarHBondContact CG-OE1 3.26Å; R617-E621 IonicContact CZ-OE1 3.98Å; R617-E621 IonicContact NE-OE1 3.72Å; R617-E621 PolarHBondContact NE-OE1 2.97Å; R617-E621 IonicContact NH2-OE1 2.7Å; R617-E621 WeakPolarHBondContact O-CG 3.43Å; R617-E621 PolarHBondContact O-N 2.83Å |
| 618 | K | 87.9 | Confident | 88.5 | Confident | 117 Ų | 117 | 46.2 Ų | 46.2 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.5 | -34.6 | -179.3 | -66.6 | -175.2 | 179.1 | 178.2 | 0 | 113 | I581 L616 Y622 | I581-K618 HydrophobicContact CG2-CB 3.85Å; L616-K618 VanDerWaalsContact C-N 3.3Å; L616-K618 PolarHBondContact O-N 3.27Å; L616-K618 VanDerWaalsContact O-N 3.15Å; K618-Y622 WeakPolarHBondContact O-CB 3.45Å; K618-Y622 PolarHBondContact O-N 3.41Å |
| 619 | A | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.8 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L526 V553 I576 L578 L616 R617 Y622 V623 | L526-A619 HydrophobicContact CD1-CB 4.38Å; V553-A619 HydrophobicContact CG1-CB 4.42Å; V553-A619 HydrophobicContact CG2-CB 4.28Å; I576-A619 HydrophobicContact CG2-CB 4.24Å; L578-A619 HydrophobicContact CD2-CB 3.81Å; L616-A619 WeakPolarHBondContact O-CB 3.3Å; L616-A619 PolarHBondContact O-N 3Å; R617-A619 VanDerWaalsContact C-N 3.32Å; R617-A619 PolarHBondContact O-N 3.4Å; A619-Y622 WeakPolarHBondContact O-CB 3.46Å; A619-Y622 PolarHBondContact O-N 3.21Å; A619-V623 PolarHBondContact O-N 3.37Å |
| 620 | M | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.5 | -41.1 | 177.9 | -59.1 | -54.8 | 173.5 | 0 | 0 | 112.3 | L526 L529 I530 L607 Y612 L616 R617 Y622 V623 F624 | L526-M620 HydrophobicContact CD1-CE 3.58Å; L526-M620 HydrophobicContact CD1-SD 3.75Å; L526-M620 HydrophobicContact CG-CE 4.44Å; L526-M620 HydrophobicContact CG-SD 4.46Å; L529-M620 HydrophobicContact CB-CE 4.34Å; I530-M620 HydrophobicContact CG2-CE 3.31Å; I530-M620 HydrophobicContact CG2-SD 3.49Å; I530-M620 WeakPolarHBondContact CG2-SD 3.36Å; L607-M620 HydrophobicContact CD1-CB 3.81Å; Y612-M620 HydrophobicContact CD1-CB 4.02Å; Y612-M620 HydrophobicContact CD1-CG 3.68Å; Y612-M620 HydrophobicContact CD2-CB 4.35Å; Y612-M620 HydrophobicContact CD2-CG 3.79Å; Y612-M620 HydrophobicContact CE1-CB 3.92Å; Y612-M620 HydrophobicContact CE1-CG 4.09Å; Y612-M620 HydrophobicContact CE2-CB 4.28Å; Y612-M620 HydrophobicContact CE2-CG 4.22Å; Y612-M620 HydrophobicContact CG-CB 4.25Å; Y612-M620 HydrophobicContact CG-CG 3.52Å; L616-M620 HydrophobicContact CB-CE 4.21Å; L616-M620 HydrophobicContact CD1-CE 4.3Å; L616-M620 PolarHBondContact O-N 3.1Å; L616-M620 VanDerWaalsContact O-N 3.1Å; R617-M620 PolarHBondContact O-N 3.48Å; M620-Y622 VanDerWaalsContact C-N 3.27Å; M620-Y622 PolarHBondContact O-N 3.13Å; M620-V623 PolarHBondContact O-N 2.84Å; M620-F624 PolarHBondContact O-N 2.86Å; M620-F624 HydrophobicContact SD-CD2 4.37Å; M620-F624 HydrophobicContact SD-CE2 4.29Å |
| 621 | E | 90.4 | Very high | 88.9 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 16% | 0.164 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -36.5 | 173.2 | -73 | 173.3 | 178.8 | 0 | 0 | 111.6 | A583 T585 L607 R617 G625 | A583-E621 HydrophobicContact CB-CB 3.54Å; T585-E621 HydrophobicContact CG2-CB 4.04Å; T585-E621 HydrophobicContact CG2-CG 3.87Å; L607-E621 HydrophobicContact CD2-CG 3.89Å; R617-E621 HydrophobicContact CG-CG 4.32Å; R617-E621 WeakPolarHBondContact CG-OE1 3.26Å; R617-E621 IonicContact CZ-OE1 3.98Å; R617-E621 IonicContact NE-OE1 3.72Å; R617-E621 PolarHBondContact NE-OE1 2.97Å; R617-E621 IonicContact NH2-OE1 2.7Å; R617-E621 WeakPolarHBondContact O-CG 3.43Å; R617-E621 PolarHBondContact O-N 2.83Å; E621-G625 WeakPolarHBondContact O-CA 3.33Å; E621-G625 PolarHBondContact O-N 3.49Å |
| 622 | Y | 90.9 | Very high | 88.9 | Confident | 80 Ų | 80 | 45.7 Ų | 45.7 | 31% | 0.314 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66 | -37.1 | 176.9 | 173.3 | -103.3 | 0 | 0 | 0 | 112.8 | R548 I576 I581 K618 A619 M620 | R548-Y622 PolarHBondContact NH1-O 3.49Å; I576-Y622 HydrophobicContact CD1-CD1 4.33Å; I581-Y622 HydrophobicContact CD1-CD1 4.05Å; I581-Y622 HydrophobicContact CD1-CD2 3.64Å; I581-Y622 HydrophobicContact CD1-CE1 4.23Å; I581-Y622 HydrophobicContact CD1-CE2 3.83Å; I581-Y622 HydrophobicContact CD1-CG 3.76Å; I581-Y622 HydrophobicContact CG1-CD1 4.35Å; I581-Y622 HydrophobicContact CG1-CD2 3.98Å; I581-Y622 HydrophobicContact CG1-CG 3.81Å; K618-Y622 WeakPolarHBondContact O-CB 3.45Å; K618-Y622 PolarHBondContact O-N 3.41Å; A619-Y622 WeakPolarHBondContact O-CB 3.46Å; A619-Y622 PolarHBondContact O-N 3.21Å; M620-Y622 VanDerWaalsContact C-N 3.27Å; M620-Y622 PolarHBondContact O-N 3.13Å |
| 623 | V | 89.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -89.1 | -44.9 | -176.4 | 179.4 | 0 | 0 | 0 | 0 | 112.4 | L526 A545 R548 A619 M620 | L526-V623 HydrophobicContact CD2-CB 4.1Å; L526-V623 HydrophobicContact CD2-CG1 4.06Å; L526-V623 HydrophobicContact CD2-CG2 3.59Å; A545-V623 HydrophobicContact CB-CG1 3.67Å; R548-V623 HydrophobicContact CB-CG1 4.13Å; R548-V623 HydrophobicContact CB-CG2 4.11Å; A619-V623 PolarHBondContact O-N 3.37Å; M620-V623 PolarHBondContact O-N 2.84Å |
| 624 | F | 90.8 | Very high | 89 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -112.7 | 1.9 | -171.4 | -60.3 | -74.9 | 0 | 0 | 0 | 114.3 | I530 L541 V544 A545 L549 S606 L607 V610 M620 S626 | I530-F624 HydrophobicContact CD1-CZ 4.23Å; I530-F624 HydrophobicContact CG2-CE2 4.3Å; L541-F624 HydrophobicContact CB-CE1 4.41Å; L541-F624 HydrophobicContact CD2-CD1 4.18Å; L541-F624 HydrophobicContact CD2-CE1 4.14Å; V544-F624 HydrophobicContact CB-CD1 4.3Å; V544-F624 HydrophobicContact CB-CE1 4.47Å; V544-F624 HydrophobicContact CG1-CD1 3.7Å; V544-F624 HydrophobicContact CG1-CE1 4.29Å; A545-F624 HydrophobicContact CB-CE1 3.68Å; A545-F624 HydrophobicContact CB-CZ 3.69Å; L549-F624 HydrophobicContact CD2-CZ 4.48Å; S606-F624 PolarHBondContact OG-O 3.36Å; L607-F624 HydrophobicContact CB-CB 4.37Å; L607-F624 HydrophobicContact CD1-CB 4.32Å; L607-F624 PolarHBondContact N-O 3.17Å; V610-F624 HydrophobicContact CG1-CE2 4.5Å; V610-F624 HydrophobicContact CG2-CD1 4.39Å; V610-F624 HydrophobicContact CG2-CD2 4.33Å; V610-F624 HydrophobicContact CG2-CE1 4.32Å; V610-F624 HydrophobicContact CG2-CE2 4.27Å; V610-F624 HydrophobicContact CG2-CG 4.39Å; V610-F624 HydrophobicContact CG2-CZ 4.25Å; M620-F624 PolarHBondContact O-N 2.86Å; M620-F624 HydrophobicContact SD-CD2 4.37Å; M620-F624 HydrophobicContact SD-CE2 4.29Å; F624-S626 PolarHBondContact O-N 3.44Å |
| 625 | G | 87.4 | Confident | 89.1 | Confident | 7 Ų | 7 | 43 Ų | 43 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | T585 L586 E621 | T585-G625 WeakPolarHBondContact CA-O 3.25Å; L586-G625 PolarHBondContact N-O 3.46Å; L586-G625 VanDerWaalsContact N-O 3.13Å; E621-G625 WeakPolarHBondContact O-CA 3.33Å; E621-G625 PolarHBondContact O-N 3.49Å |
| 626 | S | 87.8 | Confident | 89.2 | Confident | 54 Ų | 54 | 37.6 Ų | 37.6 | 38% | 0.378 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | 5.8 | -168.5 | 55.5 | 0 | 0 | 0 | 0 | 115.2 | F624 | F624-S626 PolarHBondContact O-N 3.44Š|
| 627 | T | 90.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | trans | -126.1 | 146.1 | -173.5 | -50.4 | 0 | 0 | 0 | 0 | 111.1 | V544 S606 K648 V650 | V544-T627 HydrophobicContact CG1-CG2 4.28Å; V544-T627 HydrophobicContact CG2-CG2 3.84Å; S606-T627 PolarHBondContact N-O 3.2Å; S606-T627 PolarHBondContact OG-O 2.79Å; T627-K648 HydrophobicContact CG2-CB 4.42Å; T627-K648 HydrophobicContact CG2-CD 4.45Å; T627-K648 HydrophobicContact CG2-CG 4.24Å; T627-K648 WeakPolarHBondContact CG2-O 3.44Å; T627-V650 HydrophobicContact CG2-CG2 3.77Å | ||
| 628 | L | 91.9 | Very high | 89 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144.3 | 174 | -65.7 | 174.6 | 0 | 0 | 0 | 110.2 | L586 A594 V603 H604 T605 V639 V645 T647 K648 T649 V650 | L586-L628 HydrophobicContact CD1-CD2 3.69Å; L586-L628 HydrophobicContact CD1-CG 3.81Å; A594-L628 HydrophobicContact CB-CD1 3.89Å; V603-L628 HydrophobicContact CG1-CB 4.28Å; V603-L628 HydrophobicContact CG1-CD1 4.28Å; V603-L628 HydrophobicContact CG1-CD2 4.21Å; V603-L628 HydrophobicContact CG1-CG 4.5Å; H604-L628 WeakPolarHBondContact O-CA 3.34Å; T605-L628 HydrophobicContact CG2-CD2 3.75Å; L628-V639 HydrophobicContact CD1-CG1 4.03Å; L628-V645 HydrophobicContact CD1-CG1 4.16Å; L628-T647 HydrophobicContact CD1-CG2 4.32Å; L628-T647 HydrophobicContact CG-CG2 4.26Å; L628-K648 PolarHBondContact N-O 3.27Å; L628-T649 HydrophobicContact CB-CG2 4.22Å; L628-T649 CarbonylContact O-C 3.3Å; L628-T649 VanDerWaalsContact O-CA 3.23Å; L628-T649 WeakPolarHBondContact O-CA 3.1Å; L628-V650 PolarHBondContact O-N 3.41Å |
| 629 | V | 91.9 | Very high | 89 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 128.5 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | Y537 A540 V544 V603 H604 L609 V650 L652 | Y537-V629 HydrophobicContact CD1-CG1 3.98Å; Y537-V629 HydrophobicContact CE1-CG1 4.49Å; A540-V629 HydrophobicContact CB-CG1 3.69Å; A540-V629 HydrophobicContact CB-CG2 4.38Å; V544-V629 HydrophobicContact CG2-CG2 4.3Å; V603-V629 WeakPolarHBondContact CA-O 3.31Å; H604-V629 PolarHBondContact N-O 2.92Å; H604-V629 PolarHBondContact O-N 3.32Å; L609-V629 HydrophobicContact CD1-CB 4.15Å; L609-V629 HydrophobicContact CD1-CG1 4.44Å; L609-V629 HydrophobicContact CD1-CG2 4.2Å; V629-V650 CarbonylContact C-O 3.42Å; V629-V650 VanDerWaalsContact CA-O 3.28Å; V629-V650 WeakPolarHBondContact CA-O 3.47Å; V629-L652 HydrophobicContact CG1-CD2 4.46Å |
| 630 | C | 91.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.8 | -179 | -51.9 | 0 | 0 | 0 | 0 | 110.7 | N602 A636 V650 T651 L652 | N602-C630 WeakPolarHBondContact O-CA 3.37Å; C630-A636 HydrophobicContact CB-CB 3.97Å; C630-V650 PolarHBondContact N-O 3.5Å; C630-T651 CarbonylContact O-C 3.52Å; C630-T651 VanDerWaalsContact O-CA 3.27Å; C630-T651 WeakPolarHBondContact O-CA 3.35Å; C630-L652 PolarHBondContact O-N 2.87Å; C630-L652 VanDerWaalsContact O-N 3.09Å |
| 631 | D | 87.7 | Confident | 88.8 | Confident | 49 Ų | 49 | 40.6 Ų | 40.6 | 26% | 0.262 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -68.5 | -49 | 179.6 | 62.2 | -20.5 | 0 | 0 | 0 | 113.5 | N602 N635 L652 | N602-D631 PolarHBondContact O-N 2.98Å; N602-D631 PolarHBondContact OD1-OD2 3.03Å; D631-N635 WeakPolarHBondContact OD1-CB 3.34Å; D631-N635 PolarHBondContact OD1-ND2 2.84Å; D631-N635 PolarHBondContact OD2-ND2 3.15Å; D631-L652 HydrophobicContact CB-CD1 4.38Å |
| 632 | T | 87.9 | Confident | 88.7 | Confident | 60 Ų | 60 | 41 Ų | 41 | 37% | 0.368 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -123.7 | 158.2 | -169.7 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | D634 N635 A636 | T632-D634 VanDerWaalsContact C-N 3.3Å; T632-D634 PolarHBondContact O-N 3.03Å; T632-N635 PolarHBondContact O-N 3.48Å; T632-N635 WeakPolarHBondContact OG1-CB 3.32Å; T632-N635 PolarHBondContact OG1-N 3.22Å; T632-N635 PolarHBondContact OG1-ND2 3.01Å; T632-N635 VanDerWaalsContact OG1-ND2 3.13Å; T632-A636 WeakPolarHBondContact O-CB 3.35Å; T632-A636 PolarHBondContact O-N 3.19Å |
| 633 | L | 86.9 | Confident | 88.3 | Confident | 93 Ų | 93 | 46.4 Ų | 46.4 | 49% | 0.487 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.8 | -42 | 175.3 | -78 | 164.1 | 0 | 0 | 0 | 112.5 | K637 T651 D655 F657 | L633-K637 WeakPolarHBondContact O-CB 3.41Å; L633-K637 PolarHBondContact O-N 3.16Å; L633-T651 HydrophobicContact CD2-CG2 4.08Å; L633-T651 HydrophobicContact CG-CG2 4.35Å; L633-D655 HydrophobicContact CD2-CB 3.92Å; L633-D655 WeakPolarHBondContact CD2-OD2 3.39Å; L633-F657 HydrophobicContact CD2-CE2 3.81Å; L633-F657 HydrophobicContact CD2-CZ 3.76Å |
| 634 | D | 87.8 | Confident | 88 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.8 | -39.2 | -178.6 | -69.9 | -34 | 0 | 0 | 0 | 111.8 | T632 K638 | T632-D634 VanDerWaalsContact C-N 3.3Å; T632-D634 PolarHBondContact O-N 3.03Å; D634-K638 WeakPolarHBondContact O-CB 3.42Å; D634-K638 WeakPolarHBondContact O-CG 3.48Å; D634-K638 PolarHBondContact O-N 3.22Å |
| 635 | N | 88.3 | Confident | 87.7 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 176.9 | -69.8 | -16.2 | 0 | 0 | 0 | 111.2 | V598 D631 T632 K637 K638 V639 | V598-N635 HydrophobicContact CB-CB 4.28Å; V598-N635 HydrophobicContact CG1-CB 3.98Å; D631-N635 WeakPolarHBondContact OD1-CB 3.34Å; D631-N635 PolarHBondContact OD1-ND2 2.84Å; D631-N635 PolarHBondContact OD2-ND2 3.15Å; T632-N635 PolarHBondContact O-N 3.48Å; T632-N635 WeakPolarHBondContact OG1-CB 3.32Å; T632-N635 PolarHBondContact OG1-N 3.22Å; T632-N635 PolarHBondContact OG1-ND2 3.01Å; T632-N635 VanDerWaalsContact OG1-ND2 3.13Å; N635-K637 PolarHBondContact O-N 3Å; N635-K638 PolarHBondContact O-N 3.45Å; N635-V639 WeakPolarHBondContact O-CB 3.35Å; N635-V639 VanDerWaalsContact O-CG2 3.26Å; N635-V639 WeakPolarHBondContact O-CG2 3.47Å; N635-V639 PolarHBondContact O-N 3.31Å |
| 636 | A | 86.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C630 T632 K638 V639 A640 T649 T651 F657 | C630-A636 HydrophobicContact CB-CB 3.97Å; T632-A636 WeakPolarHBondContact O-CB 3.35Å; T632-A636 PolarHBondContact O-N 3.19Å; A636-K638 PolarHBondContact O-N 2.89Å; A636-V639 PolarHBondContact O-N 3.45Å; A636-A640 VanDerWaalsContact O-CB 3.25Å; A636-A640 WeakPolarHBondContact O-CB 3.41Å; A636-A640 PolarHBondContact O-N 2.97Å; A636-T649 PolarHBondContact O-OG1 3.39Å; A636-T649 VanDerWaalsContact O-OG1 3.08Å; A636-T651 HydrophobicContact CB-CG2 3.54Å; A636-F657 HydrophobicContact CB-CD2 3.75Å; A636-F657 HydrophobicContact CB-CE2 3.96Å |
| 637 | K | 87.5 | Confident | 87.7 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 52% | 0.522 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 177.3 | -177.7 | -179.5 | 176.6 | -178.6 | 0 | 112.4 | L633 N635 F641 F657 | L633-K637 WeakPolarHBondContact O-CB 3.41Å; L633-K637 PolarHBondContact O-N 3.16Å; N635-K637 PolarHBondContact O-N 3Å; K637-F641 HydrophobicContact CG-CD2 4.02Å; K637-F641 HydrophobicContact CG-CE2 4.2Å; K637-F641 VanDerWaalsContact O-CD2 3.28Å; K637-F641 WeakPolarHBondContact O-CD2 3.28Å; K637-F641 PolarHBondContact O-N 3.26Å; K637-F657 HydrophobicContact CB-CD1 4.18Å; K637-F657 HydrophobicContact CB-CE1 3.93Å; K637-F657 HydrophobicContact CB-CZ 4.48Å; K637-F657 HydrophobicContact CG-CE1 4.33Å |
| 638 | K | 86.1 | Confident | 87.7 | Confident | 128 Ų | 128 | 59 Ų | 59 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 179.1 | -75.7 | 169.8 | -173.7 | 172 | 0 | 111.5 | D634 N635 A636 D642 | D634-K638 WeakPolarHBondContact O-CB 3.42Å; D634-K638 WeakPolarHBondContact O-CG 3.48Å; D634-K638 PolarHBondContact O-N 3.22Å; N635-K638 PolarHBondContact O-N 3.45Å; A636-K638 PolarHBondContact O-N 2.89Å; K638-D642 WeakPolarHBondContact O-CB 3.38Å; K638-D642 PolarHBondContact O-N 2.88Å |
| 639 | V | 88.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.2 | -39.5 | -177.1 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | A594 V598 V603 L628 N635 A636 F641 V645 T649 | A594-V639 HydrophobicContact CB-CG1 3.81Å; V598-V639 HydrophobicContact CB-CG2 4.42Å; V598-V639 HydrophobicContact CG1-CG2 3.83Å; V598-V639 HydrophobicContact CG2-CG2 3.62Å; V603-V639 HydrophobicContact CG2-CG2 4.12Å; L628-V639 HydrophobicContact CD1-CG1 4.03Å; N635-V639 WeakPolarHBondContact O-CB 3.35Å; N635-V639 VanDerWaalsContact O-CG2 3.26Å; N635-V639 WeakPolarHBondContact O-CG2 3.47Å; N635-V639 PolarHBondContact O-N 3.31Å; A636-V639 PolarHBondContact O-N 3.45Å; V639-F641 PolarHBondContact O-N 3.46Å; V639-V645 HydrophobicContact CG1-CG1 3.85Å; V639-V645 WeakPolarHBondContact O-CB 3.42Å; V639-V645 WeakPolarHBondContact O-CG1 3.5Å; V639-T649 HydrophobicContact CB-CG2 4.04Å; V639-T649 HydrophobicContact CG1-CG2 3.75Å |
| 640 | A | 87.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A636 T647 T649 F657 P659 | A636-A640 VanDerWaalsContact O-CB 3.25Å; A636-A640 WeakPolarHBondContact O-CB 3.41Å; A636-A640 PolarHBondContact O-N 2.97Å; A640-T647 WeakPolarHBondContact CA-O 3.38Å; A640-T649 HydrophobicContact CB-CG2 3.99Å; A640-F657 HydrophobicContact CB-CB 3.66Å; A640-P659 WeakPolarHBondContact O-CG 3.43Å |
| 641 | F | 88.1 | Confident | 87.7 | Confident | 81 Ų | 81 | 59 Ų | 59 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -99.6 | 3.3 | -174.5 | -60.4 | -63.8 | 0 | 0 | 0 | 114.2 | K637 V639 F657 L663 | K637-F641 HydrophobicContact CG-CD2 4.02Å; K637-F641 HydrophobicContact CG-CE2 4.2Å; K637-F641 VanDerWaalsContact O-CD2 3.28Å; K637-F641 WeakPolarHBondContact O-CD2 3.28Å; K637-F641 PolarHBondContact O-N 3.26Å; V639-F641 PolarHBondContact O-N 3.46Å; F641-F657 HydrophobicContact CE2-CD1 4.07Å; F641-L663 HydrophobicContact CZ-CD2 4.4Å |
| 642 | D | 88.1 | Confident | 87.6 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | trans | -67.2 | 134.6 | 174.2 | -177.3 | -94.1 | 0 | 0 | 0 | 111 | L597 K638 Q644 V645 M646 | L597-D642 HydrophobicContact CD1-CB 3.93Å; K638-D642 WeakPolarHBondContact O-CB 3.38Å; K638-D642 PolarHBondContact O-N 2.88Å; D642-Q644 PolarHBondContact O-N 3.5Å; D642-Q644 VanDerWaalsContact O-N 3.17Å; D642-Q644 WeakPolarHBondContact OD1-CA 3.19Å; D642-Q644 VanDerWaalsContact OD1-CB 3.31Å; D642-Q644 WeakPolarHBondContact OD1-CB 3.32Å; D642-Q644 PolarHBondContact OD1-N 3.4Å; D642-V645 HydrophobicContact CB-CB 4.33Å; D642-V645 HydrophobicContact CB-CG2 4.36Å; D642-V645 PolarHBondContact O-N 2.97Å; D642-V645 VanDerWaalsContact O-N 3.07Å; D642-V645 PolarHBondContact OD1-N 3.2Å; D642-M646 WeakPolarHBondContact O-CG 3.33Å; D642-M646 PolarHBondContact O-N 2.87Å | ||
| 643 | K | 83.4 | Confident | 87.2 | Confident | 195 Ų | 195 | 59.2 Ų | 59.2 | 85% | 0.848 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.1 | -174.4 | -68.5 | -178.1 | 179.5 | 178.2 | 0 | 113.5 | ||
| 644 | Q | 82.8 | Confident | 87 | Confident | 148 Ų | 148 | 55.3 Ų | 55.3 | 69% | 0.692 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -21.3 | 178.7 | -57.7 | -172.5 | -7.5 | 0 | 0 | 112.6 | A593 D642 | A593-Q644 HydrophobicContact CB-CB 4.48Å; D642-Q644 PolarHBondContact O-N 3.5Å; D642-Q644 VanDerWaalsContact O-N 3.17Å; D642-Q644 WeakPolarHBondContact OD1-CA 3.19Å; D642-Q644 VanDerWaalsContact OD1-CB 3.31Å; D642-Q644 WeakPolarHBondContact OD1-CB 3.32Å; D642-Q644 PolarHBondContact OD1-N 3.4Å |
| 645 | V | 84.3 | Confident | 87 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -51.7 | -175.8 | -178.7 | 0 | 0 | 0 | 0 | 112.6 | V590 A593 A594 L597 L628 V639 D642 T647 | V590-V645 HydrophobicContact CG1-CB 4.46Å; V590-V645 HydrophobicContact CG1-CG1 3.92Å; A593-V645 HydrophobicContact CB-CG2 3.98Å; A594-V645 HydrophobicContact CB-CG1 4.18Å; A594-V645 HydrophobicContact CB-CG2 4.09Å; L597-V645 HydrophobicContact CD1-CG2 3.95Å; L628-V645 HydrophobicContact CD1-CG1 4.16Å; V639-V645 HydrophobicContact CG1-CG1 3.85Å; V639-V645 WeakPolarHBondContact O-CB 3.42Å; V639-V645 WeakPolarHBondContact O-CG1 3.5Å; D642-V645 HydrophobicContact CB-CB 4.33Å; D642-V645 HydrophobicContact CB-CG2 4.36Å; D642-V645 PolarHBondContact O-N 2.97Å; D642-V645 VanDerWaalsContact O-N 3.07Å; D642-V645 PolarHBondContact OD1-N 3.2Å; V645-T647 PolarHBondContact O-N 3.45Å; V645-T647 PolarHBondContact O-OG1 3.25Å |
| 646 | M | 86.3 | Confident | 87.1 | Confident | 100 Ų | 100 | 52.2 Ų | 52.2 | 49% | 0.493 | 26% | 0.261 | S | S | . | . | trans | 35.3 | 48.2 | 177.6 | -70.8 | -66.1 | -73.3 | 0 | 0 | 114.2 | D642 P659 | D642-M646 WeakPolarHBondContact O-CG 3.33Å; D642-M646 PolarHBondContact O-N 2.87Å; M646-P659 HydrophobicContact CE-CB 3.85Å; M646-P659 WeakPolarHBondContact O-CG 3.43Å; M646-P659 HydrophobicContact SD-CB 4.18Å | ||
| 647 | T | 87.8 | Confident | 87.3 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | trans | -124.9 | 147.5 | -174.5 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | L586 L628 A640 V645 T649 P659 | L586-T647 HydrophobicContact CD1-CG2 3.93Å; L586-T647 HydrophobicContact CD2-CG2 3.54Å; L586-T647 HydrophobicContact CG-CG2 4.39Å; L628-T647 HydrophobicContact CD1-CG2 4.32Å; L628-T647 HydrophobicContact CG-CG2 4.26Å; A640-T647 WeakPolarHBondContact CA-O 3.38Å; V645-T647 PolarHBondContact O-N 3.45Å; V645-T647 PolarHBondContact O-OG1 3.25Å; T647-T649 PolarHBondContact O-N 2.85Å; T647-P659 VanDerWaalsContact N-CG 3.34Å; T647-P659 WeakPolarHBondContact O-CG 3.46Å | ||
| 648 | K | 90.6 | Very high | 87.4 | Confident | 66 Ų | 66 | 49.8 Ų | 49.8 | 29% | 0.287 | 25% | 0.253 | S | S | . | . | trans | -60.9 | 128.3 | 176 | -172.2 | -179.3 | -177.8 | -178.6 | 0 | 110.8 | T627 L628 I656 F657 | T627-K648 HydrophobicContact CG2-CB 4.42Å; T627-K648 HydrophobicContact CG2-CD 4.45Å; T627-K648 HydrophobicContact CG2-CG 4.24Å; T627-K648 WeakPolarHBondContact CG2-O 3.44Å; L628-K648 PolarHBondContact N-O 3.27Å; K648-I656 HydrophobicContact CD-CG2 4.31Å; K648-I656 HydrophobicContact CG-CG2 4.16Å; K648-F657 WeakPolarHBondContact CA-O 3.39Å | ||
| 649 | T | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 148.2 | 176.4 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | L628 A636 V639 A640 T647 F657 | L628-T649 HydrophobicContact CB-CG2 4.22Å; L628-T649 CarbonylContact O-C 3.3Å; L628-T649 VanDerWaalsContact O-CA 3.23Å; L628-T649 WeakPolarHBondContact O-CA 3.1Å; A636-T649 PolarHBondContact O-OG1 3.39Å; A636-T649 VanDerWaalsContact O-OG1 3.08Å; V639-T649 HydrophobicContact CB-CG2 4.04Å; V639-T649 HydrophobicContact CG1-CG2 3.75Å; A640-T649 HydrophobicContact CB-CG2 3.99Å; T647-T649 PolarHBondContact O-N 2.85Å; T649-F657 PolarHBondContact N-O 3.42Å; T649-F657 PolarHBondContact O-N 3.32Å |
| 650 | V | 92.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.8 | 176 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | A540 V543 V544 T627 L628 V629 C630 D655 I656 | A540-V650 HydrophobicContact CB-CG1 4.15Å; V543-V650 HydrophobicContact CB-CG1 4.1Å; V543-V650 HydrophobicContact CG1-CG1 3.94Å; V543-V650 HydrophobicContact CG1-CG2 4.44Å; V544-V650 HydrophobicContact CG2-CB 4.13Å; V544-V650 HydrophobicContact CG2-CG1 4.48Å; V544-V650 HydrophobicContact CG2-CG2 3.81Å; T627-V650 HydrophobicContact CG2-CG2 3.77Å; L628-V650 PolarHBondContact O-N 3.41Å; V629-V650 CarbonylContact C-O 3.42Å; V629-V650 VanDerWaalsContact CA-O 3.28Å; V629-V650 WeakPolarHBondContact CA-O 3.47Å; C630-V650 PolarHBondContact N-O 3.5Å; V650-D655 CarbonylContact C-O 3.58Å; V650-D655 VanDerWaalsContact CA-O 3.26Å; V650-D655 WeakPolarHBondContact CA-O 3.37Å; V650-I656 HydrophobicContact CG2-CG1 4.31Å |
| 651 | T | 90.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 165 | 174.6 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | A540 C630 L633 A636 G653 G654 D655 F657 | A540-T651 WeakPolarHBondContact CB-O 3.43Å; C630-T651 CarbonylContact O-C 3.52Å; C630-T651 VanDerWaalsContact O-CA 3.27Å; C630-T651 WeakPolarHBondContact O-CA 3.35Å; L633-T651 HydrophobicContact CD2-CG2 4.08Å; L633-T651 HydrophobicContact CG-CG2 4.35Å; A636-T651 HydrophobicContact CB-CG2 3.54Å; T651-G653 PolarHBondContact O-N 3.32Å; T651-G654 PolarHBondContact O-N 2.99Å; T651-G654 PolarHBondContact OG1-N 3.07Å; T651-D655 HydrophobicContact CG2-CB 4.26Å; T651-D655 PolarHBondContact N-O 3.06Å; T651-D655 WeakPolarHBondContact OG1-CB 3.44Å; T651-D655 PolarHBondContact OG1-N 3.05Å; T651-D655 PolarHBondContact OG1-OD2 2.98Å; T651-D655 VanDerWaalsContact OG1-OD2 3.12Å; T651-F657 HydrophobicContact CG2-CE2 4.16Å |
| 652 | L | 86.5 | Confident | 86.3 | Confident | 55 Ų | 55 | 55 Ų | 55 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -35.2 | 169.7 | -66.1 | 176.4 | 0 | 0 | 0 | 112.8 | Y537 V629 C630 D631 G654 | Y537-L652 HydrophobicContact CD1-CD2 3.33Å; Y537-L652 HydrophobicContact CE1-CD2 3.53Å; Y537-L652 HydrophobicContact CG-CD2 4.15Å; V629-L652 HydrophobicContact CG1-CD2 4.46Å; C630-L652 PolarHBondContact O-N 2.87Å; C630-L652 VanDerWaalsContact O-N 3.09Å; D631-L652 HydrophobicContact CB-CD1 4.38Å; L652-G654 PolarHBondContact O-N 3.06Å |
| 653 | G | 79.7 | Confident | 86 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 60% | 0.598 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | T651 | T651-G653 PolarHBondContact O-N 3.32Š|
| 654 | G | 82.7 | Confident | 85.8 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | trans | 87.4 | 18.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T651 L652 | T651-G654 PolarHBondContact O-N 2.99Å; T651-G654 PolarHBondContact OG1-N 3.07Å; L652-G654 PolarHBondContact O-N 3.06Å | ||
| 655 | D | 88.1 | Confident | 85.3 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 20% | 0.198 | 30% | 0.3 | C | S | . | . | trans | -81.6 | 135.4 | 174.5 | -53.1 | -64.5 | 0 | 0 | 0 | 110.5 | L633 V650 T651 F657 S664 G665 | L633-D655 HydrophobicContact CD2-CB 3.92Å; L633-D655 WeakPolarHBondContact CD2-OD2 3.39Å; V650-D655 CarbonylContact C-O 3.58Å; V650-D655 VanDerWaalsContact CA-O 3.26Å; V650-D655 WeakPolarHBondContact CA-O 3.37Å; T651-D655 HydrophobicContact CG2-CB 4.26Å; T651-D655 PolarHBondContact N-O 3.06Å; T651-D655 WeakPolarHBondContact OG1-CB 3.44Å; T651-D655 PolarHBondContact OG1-N 3.05Å; T651-D655 PolarHBondContact OG1-OD2 2.98Å; T651-D655 VanDerWaalsContact OG1-OD2 3.12Å; D655-F657 HydrophobicContact CB-CE2 4.17Å; D655-S664 WeakPolarHBondContact CA-O 3.19Å; D655-G665 VanDerWaalsContact OD1-CA 3.24Å; D655-G665 WeakPolarHBondContact OD1-CA 3.38Å | ||
| 656 | I | 90.5 | Very high | 84.7 | Confident | 30 Ų | 30 | 51 Ų | 51 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.3 | -176 | -54.1 | 178.6 | 0 | 0 | 0 | 110.1 | V543 K648 V650 L663 S664 | V543-I656 HydrophobicContact CG1-CD1 3.45Å; V543-I656 VanDerWaalsContact CG1-CD1 3.45Å; V543-I656 HydrophobicContact CG1-CG1 3.38Å; K648-I656 HydrophobicContact CD-CG2 4.31Å; K648-I656 HydrophobicContact CG-CG2 4.16Å; V650-I656 HydrophobicContact CG2-CG1 4.31Å; I656-L663 WeakPolarHBondContact O-CA 3.22Å; I656-S664 PolarHBondContact N-O 3Å; I656-S664 PolarHBondContact O-N 3.3Å; I656-S664 VanDerWaalsContact O-N 3.14Å |
| 657 | F | 89.5 | Confident | 83.4 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 111.7 | 167.7 | -63.2 | -101.8 | 0 | 0 | 0 | 109.3 | L633 A636 K637 A640 F641 K648 T649 T651 D655 L663 | L633-F657 HydrophobicContact CD2-CE2 3.81Å; L633-F657 HydrophobicContact CD2-CZ 3.76Å; A636-F657 HydrophobicContact CB-CD2 3.75Å; A636-F657 HydrophobicContact CB-CE2 3.96Å; K637-F657 HydrophobicContact CB-CD1 4.18Å; K637-F657 HydrophobicContact CB-CE1 3.93Å; K637-F657 HydrophobicContact CB-CZ 4.48Å; K637-F657 HydrophobicContact CG-CE1 4.33Å; A640-F657 HydrophobicContact CB-CB 3.66Å; F641-F657 HydrophobicContact CE2-CD1 4.07Å; K648-F657 WeakPolarHBondContact CA-O 3.39Å; T649-F657 PolarHBondContact N-O 3.42Å; T649-F657 PolarHBondContact O-N 3.32Å; T651-F657 HydrophobicContact CG2-CE2 4.16Å; D655-F657 HydrophobicContact CB-CE2 4.17Å; F657-L663 HydrophobicContact CB-CD2 4.36Å; F657-L663 HydrophobicContact CD1-CD2 3.14Å; F657-L663 HydrophobicContact CE1-CD2 3.46Å; F657-L663 VanDerWaalsContact CE1-CD2 3.46Å; F657-L663 HydrophobicContact CG-CD2 3.91Å; F657-L663 HydrophobicContact CZ-CD2 4.44Å |
| 658 | D | 89.4 | Confident | 82.1 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | trans | -99.7 | 125.7 | 173.2 | -162.2 | -37.2 | 0 | 0 | 0 | 109.8 | Q660 G661 T662 | D658-Q660 PolarHBondContact O-N 2.61Å; D658-Q660 WeakPolarHBondContact OD1-CB 3.3Å; D658-Q660 WeakPolarHBondContact OD1-CG 3.22Å; D658-Q660 PolarHBondContact OD1-N 3.26Å; D658-G661 PolarHBondContact O-N 3.29Å; D658-T662 WeakPolarHBondContact CB-O 3.44Å; D658-T662 PolarHBondContact N-O 3.1Å | ||
| 659 | P | 85.9 | Confident | 80.2 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 12% | 0.117 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -21.4 | 174.1 | -20.8 | 25.1 | 0 | 0 | 0 | 114.1 | A640 M646 T647 G661 | A640-P659 WeakPolarHBondContact O-CG 3.43Å; M646-P659 HydrophobicContact CE-CB 3.85Å; M646-P659 WeakPolarHBondContact O-CG 3.43Å; M646-P659 HydrophobicContact SD-CB 4.18Å; T647-P659 VanDerWaalsContact N-CG 3.34Å; T647-P659 WeakPolarHBondContact O-CG 3.46Å; P659-G661 PolarHBondContact O-N 3.42Å |
| 660 | Q | 85.3 | Confident | 78.2 | Confident | 161 Ų | 161 | 70.3 Ų | 70.3 | 75% | 0.752 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 6.1 | 174.4 | -57.9 | -57.8 | -41.3 | 0 | 0 | 113.9 | D658 | D658-Q660 PolarHBondContact O-N 2.61Å; D658-Q660 WeakPolarHBondContact OD1-CB 3.3Å; D658-Q660 WeakPolarHBondContact OD1-CG 3.22Å; D658-Q660 PolarHBondContact OD1-N 3.26Å |
| 661 | G | 74.8 | Confident | 76.4 | Confident | 56 Ų | 56 | 74.4 Ų | 74.4 | 58% | 0.577 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 91.3 | 9.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D658 P659 | D658-G661 PolarHBondContact O-N 3.29Å; P659-G661 PolarHBondContact O-N 3.42Å |
| 662 | T | 81.6 | Confident | 75 | Confident | 85 Ų | 85 | 77.5 Ų | 77.5 | 52% | 0.521 | 49% | 0.49 | S | S | . | . | trans | -90.7 | 126.5 | 173.9 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | D658 | D658-T662 WeakPolarHBondContact CB-O 3.44Å; D658-T662 PolarHBondContact N-O 3.1Å | ||
| 663 | L | 82.4 | Confident | 74.1 | Confident | 111 Ų | 111 | 75.5 Ų | 75.5 | 58% | 0.581 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.7 | 175.9 | -66.6 | 161.6 | 0 | 0 | 0 | 107.6 | F641 I656 F657 | F641-L663 HydrophobicContact CZ-CD2 4.4Å; I656-L663 WeakPolarHBondContact O-CA 3.22Å; F657-L663 HydrophobicContact CB-CD2 4.36Å; F657-L663 HydrophobicContact CD1-CD2 3.14Å; F657-L663 HydrophobicContact CE1-CD2 3.46Å; F657-L663 VanDerWaalsContact CE1-CD2 3.46Å; F657-L663 HydrophobicContact CG-CD2 3.91Å; F657-L663 HydrophobicContact CZ-CD2 4.44Å |
| 664 | S | 78.8 | Confident | 74 | Confident | 72 Ų | 72 | 74.8 Ų | 74.8 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 121.2 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 109.4 | D655 I656 | D655-S664 WeakPolarHBondContact CA-O 3.19Å; I656-S664 PolarHBondContact N-O 3Å; I656-S664 PolarHBondContact O-N 3.3Å; I656-S664 VanDerWaalsContact O-N 3.14Å |
| 665 | G | 72.5 | Confident | 73.8 | Confident | 60 Ų | 60 | 74.6 Ų | 74.6 | 62% | 0.619 | 46% | 0.459 | S | S | * | . | trans | -162.4 | 153.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D655 | D655-G665 VanDerWaalsContact OD1-CA 3.24Å; D655-G665 WeakPolarHBondContact OD1-CA 3.38Å | ||
| 666 | G | 72.3 | Confident | 73.3 | Confident | 63 Ų | 63 | 74.6 Ų | 74.6 | 65% | 0.649 | 46% | 0.461 | S | S | * | . | trans | 165.9 | 163.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R668 | G666-R668 PolarHBondContact O-N 3.05Å; G666-R668 VanDerWaalsContact O-N 3.09Å | ||
| 667 | S | 59.3 | Low | 72.6 | Confident | 129 Ų | 129 | 73.8 Ų | 73.8 | 90% | 0.902 | 46% | 0.458 | S | S | * | . | trans | -70.4 | 103.2 | 176.7 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 668 | R | 59.6 | Low | 72.1 | Confident | 162 Ų | 162 | 73.3 Ų | 73.3 | 61% | 0.611 | 46% | 0.456 | S | S | * | . | trans | -69.3 | 153.1 | 167.9 | -76.1 | -175.1 | 168.7 | -160.3 | -2.1 | 110.1 | G666 Q670 | G666-R668 PolarHBondContact O-N 3.05Å; G666-R668 VanDerWaalsContact O-N 3.09Å; R668-Q670 PolarHBondContact O-N 3.21Å | ||
| 669 | S | 49.9 | Very low | 71.6 | Confident | 92 Ų | 92 | 74.9 Ų | 74.9 | 64% | 0.643 | 46% | 0.462 | S | S | * | . | trans | -53 | 135.1 | 169.1 | 51.5 | 0 | 0 | 0 | 0 | 109.2 | S671 | S669-S671 PolarHBondContact O-N 2.95Å; S669-S671 PolarHBondContact O-OG 3.42Å; S669-S671 PolarHBondContact OG-OG 3.25Å; S669-S671 VanDerWaalsContact OG-OG 3.05Å | ||
| 670 | Q | 50.8 | Low | 71.3 | Confident | 205 Ų | 205 | 78.6 Ų | 78.6 | 96% | 0.958 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -63.7 | 19.3 | 177.5 | -72.9 | -175.2 | -19.9 | 0 | 0 | 114.4 | R668 A672 | R668-Q670 PolarHBondContact O-N 3.21Å; Q670-A672 PolarHBondContact O-N 3.49Å |
| 671 | S | 54.4 | Low | 71.3 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 59% | 0.594 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -62 | 130.4 | 167.8 | 48.9 | 0 | 0 | 0 | 0 | 109.3 | S669 | S669-S671 PolarHBondContact O-N 2.95Å; S669-S671 PolarHBondContact O-OG 3.42Å; S669-S671 PolarHBondContact OG-OG 3.25Å; S669-S671 VanDerWaalsContact OG-OG 3.05Å |
| 672 | A | 60.5 | Low | 71.6 | Confident | 68 Ų | 68 | 72.7 Ų | 72.7 | 56% | 0.562 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -48.3 | 145.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q670 I674 | Q670-A672 PolarHBondContact O-N 3.49Å; A672-I674 PolarHBondContact O-N 3.46Å |
| 673 | S | 69 | Low | 71.7 | Confident | 14 Ų | 14 | 73.6 Ų | 73.6 | 10% | 0.098 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 133 | 174.8 | 139 | 0 | 0 | 0 | 0 | 110 | A538 E542 L675 T676 S677 | A538-S673 WeakPolarHBondContact CB-OG 3.32Å; E542-S673 VanDerWaalsContact OE1-CA 3.25Å; E542-S673 WeakPolarHBondContact OE1-CA 3.19Å; E542-S673 WeakPolarHBondContact OE1-CB 3.37Å; E542-S673 PolarHBondContact OE1-OG 3.08Å; S673-L675 PolarHBondContact O-N 2.72Å; S673-L675 PolarHBondContact OG-N 3.38Å; S673-T676 WeakPolarHBondContact CB-OG1 3.32Å; S673-T676 WeakPolarHBondContact O-CB 3.26Å; S673-T676 PolarHBondContact O-N 2.77Å; S673-T676 VanDerWaalsContact O-N 3.15Å; S673-T676 PolarHBondContact OG-N 3.18Å; S673-T676 VanDerWaalsContact OG-N 3.14Å; S673-T676 PolarHBondContact OG-OG1 3.35Å; S673-S677 PolarHBondContact O-N 3.4Å; S673-S677 PolarHBondContact O-OG 2.82Å; S673-S677 VanDerWaalsContact O-OG 3.09Å |
| 674 | I | 77.1 | Confident | 71.9 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.7 | -39.2 | 176 | -65.9 | 159.4 | 0 | 0 | 0 | 110.8 | F503 L506 E542 Y550 A672 S677 L678 | F503-I674 HydrophobicContact CE1-CG1 4.42Å; L506-I674 HydrophobicContact CD1-CG2 3.96Å; L506-I674 HydrophobicContact CD2-CG2 4.39Å; E542-I674 WeakPolarHBondContact OE1-CA 3.22Å; E542-I674 PolarHBondContact OE1-N 3.18Å; Y550-I674 WeakPolarHBondContact OH-CD1 3.05Å; A672-I674 PolarHBondContact O-N 3.46Å; I674-S677 PolarHBondContact O-N 3.03Å; I674-L678 HydrophobicContact CG2-CD1 3.94Å; I674-L678 HydrophobicContact CG2-CG 4.44Å; I674-L678 WeakPolarHBondContact O-CB 3.36Å; I674-L678 VanDerWaalsContact O-CG 3.31Å; I674-L678 WeakPolarHBondContact O-CG 3.11Å; I674-L678 PolarHBondContact O-N 3.35Å |
| 675 | L | 78.8 | Confident | 72.3 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.1 | -37 | 176.6 | -64.1 | -177 | 0 | 0 | 0 | 112.5 | I530 V532 A538 L541 E542 L549 S673 S677 L678 Q679 | I530-L675 HydrophobicContact CD1-CD1 4.24Å; I530-L675 HydrophobicContact CD1-CD2 3.53Å; I530-L675 HydrophobicContact CG1-CD2 4.27Å; V532-L675 HydrophobicContact CG2-CB 4.11Å; V532-L675 HydrophobicContact CG2-CD1 3.99Å; A538-L675 HydrophobicContact CB-CB 4.42Å; L541-L675 HydrophobicContact CB-CD1 3.94Å; E542-L675 HydrophobicContact CG-CB 4.32Å; E542-L675 HydrophobicContact CG-CD1 3.64Å; E542-L675 HydrophobicContact CG-CG 3.54Å; E542-L675 PolarHBondContact OE1-N 3.11Å; L549-L675 HydrophobicContact CD1-CD2 4.3Å; L549-L675 HydrophobicContact CD2-CD2 4.16Å; S673-L675 PolarHBondContact O-N 2.72Å; S673-L675 PolarHBondContact OG-N 3.38Å; L675-S677 VanDerWaalsContact C-N 3.34Å; L675-L678 HydrophobicContact CD2-CD1 4.14Å; L675-L678 PolarHBondContact O-N 3.47Å; L675-Q679 PolarHBondContact O-N 3.04Å; L675-Q679 VanDerWaalsContact O-N 3.16Å |
| 676 | T | 76.9 | Confident | 73 | Confident | 38 Ų | 38 | 70.3 Ų | 70.3 | 23% | 0.233 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 173.5 | -50.3 | 0 | 0 | 0 | 0 | 110.3 | V535 S673 L678 Q679 E680 | V535-T676 HydrophobicContact CG1-CG2 4.08Å; S673-T676 WeakPolarHBondContact CB-OG1 3.32Å; S673-T676 WeakPolarHBondContact O-CB 3.26Å; S673-T676 PolarHBondContact O-N 2.77Å; S673-T676 VanDerWaalsContact O-N 3.15Å; S673-T676 PolarHBondContact OG-N 3.18Å; S673-T676 VanDerWaalsContact OG-N 3.14Å; S673-T676 PolarHBondContact OG-OG1 3.35Å; T676-L678 VanDerWaalsContact C-N 3.32Å; T676-L678 PolarHBondContact O-N 3.42Å; T676-Q679 PolarHBondContact O-N 3.07Å; T676-E680 PolarHBondContact O-N 3.46Å |
| 677 | S | 76.7 | Confident | 73.8 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.9 | -31.8 | 178 | -53.1 | 0 | 0 | 0 | 0 | 112.7 | F503 S673 I674 L675 E680 V681 | F503-S677 WeakPolarHBondContact CZ-OG 3.47Å; S673-S677 PolarHBondContact O-N 3.4Å; S673-S677 PolarHBondContact O-OG 2.82Å; S673-S677 VanDerWaalsContact O-OG 3.09Å; I674-S677 PolarHBondContact O-N 3.03Å; L675-S677 VanDerWaalsContact C-N 3.34Å; S677-E680 PolarHBondContact O-N 2.92Å; S677-V681 WeakPolarHBondContact O-CG2 3.21Å; S677-V681 PolarHBondContact O-N 3.19Å; S677-V681 VanDerWaalsContact O-N 3.09Å |
| 678 | L | 78.6 | Confident | 75.4 | Confident | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.3 | -33.9 | 176.2 | -86.4 | 167.3 | 0 | 0 | 0 | 112.9 | L506 A527 N528 I674 L675 T676 V681 K682 | L506-L678 HydrophobicContact CD1-CD1 4.05Å; L506-L678 HydrophobicContact CD1-CD2 3.59Å; L506-L678 HydrophobicContact CD1-CG 3.75Å; L506-L678 HydrophobicContact CD2-CD1 4Å; L506-L678 HydrophobicContact CD2-CD2 4.29Å; L506-L678 HydrophobicContact CG-CD2 4.33Å; A527-L678 HydrophobicContact CB-CD1 3.6Å; N528-L678 VanDerWaalsContact OD1-CD2 3.28Å; N528-L678 WeakPolarHBondContact OD1-CD2 3.37Å; I674-L678 HydrophobicContact CG2-CD1 3.94Å; I674-L678 HydrophobicContact CG2-CG 4.44Å; I674-L678 WeakPolarHBondContact O-CB 3.36Å; I674-L678 VanDerWaalsContact O-CG 3.31Å; I674-L678 WeakPolarHBondContact O-CG 3.11Å; I674-L678 PolarHBondContact O-N 3.35Å; L675-L678 HydrophobicContact CD2-CD1 4.14Å; L675-L678 PolarHBondContact O-N 3.47Å; T676-L678 VanDerWaalsContact C-N 3.32Å; T676-L678 PolarHBondContact O-N 3.42Å; L678-V681 PolarHBondContact O-N 3.48Å; L678-K682 WeakPolarHBondContact O-CB 3.32Å; L678-K682 PolarHBondContact O-N 3.5Å |
| 679 | Q | 77.7 | Confident | 76.9 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 173.5 | -175.6 | 174.7 | -17.1 | 0 | 0 | 110.9 | L675 T676 V681 K682 E683 | L675-Q679 PolarHBondContact O-N 3.04Å; L675-Q679 VanDerWaalsContact O-N 3.16Å; T676-Q679 PolarHBondContact O-N 3.07Å; Q679-V681 VanDerWaalsContact C-N 3.32Å; Q679-V681 PolarHBondContact O-N 2.98Å; Q679-K682 PolarHBondContact O-N 3.35Å; Q679-E683 PolarHBondContact NE2-OE1 2.76Å; Q679-E683 WeakPolarHBondContact O-CG 3.39Å; Q679-E683 PolarHBondContact O-N 2.93Å |
| 680 | E | 80.9 | Confident | 78.9 | Confident | 97 Ų | 97 | 66.5 Ų | 66.5 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 174.3 | -64.3 | 179.1 | -179.8 | 0 | 0 | 111.9 | T676 S677 K682 E683 V684 | T676-E680 PolarHBondContact O-N 3.46Å; S677-E680 PolarHBondContact O-N 2.92Å; E680-K682 VanDerWaalsContact C-N 3.31Å; E680-K682 PolarHBondContact O-N 3.29Å; E680-E683 PolarHBondContact O-N 2.91Å; E680-V684 VanDerWaalsContact O-CG2 3.29Å; E680-V684 WeakPolarHBondContact O-CG2 3.5Å; E680-V684 PolarHBondContact O-N 3.48Å |
| 681 | V | 83.8 | Confident | 80.9 | Confident | 9 Ų | 9 | 59 Ų | 59 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 176.3 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | Y496 L499 M500 S677 L678 Q679 V684 Q685 | Y496-V681 HydrophobicContact CD2-CG1 4.11Å; Y496-V681 HydrophobicContact CE2-CG1 3.73Å; L499-V681 HydrophobicContact CB-CG2 3.75Å; L499-V681 HydrophobicContact CD1-CG2 4.31Å; M500-V681 HydrophobicContact CG-CG1 4.36Å; M500-V681 HydrophobicContact SD-CG1 3.93Å; S677-V681 WeakPolarHBondContact O-CG2 3.21Å; S677-V681 PolarHBondContact O-N 3.19Å; S677-V681 VanDerWaalsContact O-N 3.09Å; L678-V681 PolarHBondContact O-N 3.48Å; Q679-V681 VanDerWaalsContact C-N 3.32Å; Q679-V681 PolarHBondContact O-N 2.98Å; V681-V684 PolarHBondContact O-N 3.22Å; V681-Q685 WeakPolarHBondContact O-CB 3.3Å; V681-Q685 PolarHBondContact O-N 3.39Å |
| 682 | K | 81.3 | Confident | 82.7 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 37% | 0.365 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 179.6 | -170.9 | 172.9 | -178.3 | 172.1 | 0 | 112.2 | L678 Q679 E680 V684 Q685 D686 | L678-K682 WeakPolarHBondContact O-CB 3.32Å; L678-K682 PolarHBondContact O-N 3.5Å; Q679-K682 PolarHBondContact O-N 3.35Å; E680-K682 VanDerWaalsContact C-N 3.31Å; E680-K682 PolarHBondContact O-N 3.29Å; K682-V684 VanDerWaalsContact C-N 3.31Å; K682-V684 PolarHBondContact O-N 2.72Å; K682-Q685 WeakPolarHBondContact O-CB 3.24Å; K682-Q685 PolarHBondContact O-N 3.09Å; K682-Q685 VanDerWaalsContact O-N 3.14Å; K682-D686 PolarHBondContact O-N 3.05Å |
| 683 | E | 84.4 | Confident | 84.3 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 175.8 | -72.6 | 176 | -167.6 | 0 | 0 | 112.2 | Q679 E680 R687 | Q679-E683 PolarHBondContact NE2-OE1 2.76Å; Q679-E683 WeakPolarHBondContact O-CG 3.39Å; Q679-E683 PolarHBondContact O-N 2.93Å; E680-E683 PolarHBondContact O-N 2.91Å; E683-R687 WeakPolarHBondContact O-CB 3.49Å; E683-R687 VanDerWaalsContact O-CG 3.24Å; E683-R687 WeakPolarHBondContact O-CG 3.18Å; E683-R687 PolarHBondContact O-N 3.34Å; E683-R687 VanDerWaalsContact O-N 3.16Å |
| 684 | V | 87 | Confident | 85.4 | Confident | 23 Ų | 23 | 60.3 Ų | 60.3 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 175.2 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | L492 T495 L499 E680 V681 K682 L688 | L492-V684 HydrophobicContact CD2-CG1 4.35Å; T495-V684 WeakPolarHBondContact OG1-CG1 3.26Å; L499-V684 HydrophobicContact CD1-CG2 4.13Å; E680-V684 VanDerWaalsContact O-CG2 3.29Å; E680-V684 WeakPolarHBondContact O-CG2 3.5Å; E680-V684 PolarHBondContact O-N 3.48Å; V681-V684 PolarHBondContact O-N 3.22Å; K682-V684 VanDerWaalsContact C-N 3.31Å; K682-V684 PolarHBondContact O-N 2.72Å; V684-L688 WeakPolarHBondContact O-CB 3.21Å; V684-L688 PolarHBondContact O-N 3.28Å |
| 685 | Q | 87.2 | Confident | 86.2 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.4 | -49 | 176.2 | -175.5 | -176.6 | -17.3 | 0 | 0 | 111.6 | Y496 V681 K682 R687 L688 E689 | Y496-Q685 HydrophobicContact CD2-CB 4.25Å; Y496-Q685 HydrophobicContact CE2-CB 4.08Å; Y496-Q685 HydrophobicContact CE2-CG 4.37Å; V681-Q685 WeakPolarHBondContact O-CB 3.3Å; V681-Q685 PolarHBondContact O-N 3.39Å; K682-Q685 WeakPolarHBondContact O-CB 3.24Å; K682-Q685 PolarHBondContact O-N 3.09Å; K682-Q685 VanDerWaalsContact O-N 3.14Å; Q685-R687 VanDerWaalsContact C-N 3.29Å; Q685-R687 PolarHBondContact O-N 3.38Å; Q685-L688 WeakPolarHBondContact O-CB 3.41Å; Q685-L688 PolarHBondContact O-N 2.66Å; Q685-E689 PolarHBondContact NE2-OE1 3.39Å; Q685-E689 WeakPolarHBondContact O-CG 3.38Å; Q685-E689 PolarHBondContact O-N 3.37Å |
| 686 | D | 86.5 | Confident | 86.9 | Confident | 84 Ų | 84 | 64.9 Ų | 64.9 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.9 | -67.2 | -17.3 | 0 | 0 | 0 | 111 | K682 E689 E690 | K682-D686 PolarHBondContact O-N 3.05Å; D686-E689 PolarHBondContact O-N 3.18Å; D686-E690 PolarHBondContact O-N 3.42Å |
| 687 | R | 89.9 | Confident | 87.7 | Confident | 150 Ų | 150 | 66.7 Ų | 66.7 | 57% | 0.566 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.5 | -36.1 | 175 | -71.8 | 175.2 | 66.5 | -179.6 | 1.3 | 112.8 | L492 E683 Q685 K691 | L492-R687 HydrophobicContact CD1-CB 4.34Å; E683-R687 WeakPolarHBondContact O-CB 3.49Å; E683-R687 VanDerWaalsContact O-CG 3.24Å; E683-R687 WeakPolarHBondContact O-CG 3.18Å; E683-R687 PolarHBondContact O-N 3.34Å; E683-R687 VanDerWaalsContact O-N 3.16Å; Q685-R687 VanDerWaalsContact C-N 3.29Å; Q685-R687 PolarHBondContact O-N 3.38Å; R687-K691 WeakPolarHBondContact O-CG 3.16Å; R687-K691 PolarHBondContact O-N 2.95Å; R687-K691 VanDerWaalsContact O-N 3.08Å |
| 688 | L | 92.1 | Very high | 88.4 | Confident | 16 Ų | 16 | 66.8 Ų | 66.8 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -47.8 | 175.8 | 177.8 | 63.6 | 0 | 0 | 0 | 110.1 | V489 L492 K493 V684 Q685 E690 K691 E692 | V489-L688 HydrophobicContact CB-CD1 4.48Å; V489-L688 HydrophobicContact CG1-CD1 3.97Å; L492-L688 HydrophobicContact CB-CB 4.27Å; L492-L688 HydrophobicContact CB-CD1 3.81Å; K493-L688 HydrophobicContact CB-CD1 4.19Å; K493-L688 HydrophobicContact CB-CD2 4.36Å; V684-L688 WeakPolarHBondContact O-CB 3.21Å; V684-L688 PolarHBondContact O-N 3.28Å; Q685-L688 WeakPolarHBondContact O-CB 3.41Å; Q685-L688 PolarHBondContact O-N 2.66Å; L688-E690 VanDerWaalsContact C-N 3.35Å; L688-E690 PolarHBondContact O-N 2.81Å; L688-K691 PolarHBondContact O-N 3Å; L688-E692 HydrophobicContact CD1-CG 4.14Å; L688-E692 HydrophobicContact CG-CG 4.41Å; L688-E692 WeakPolarHBondContact O-CB 3.48Å; L688-E692 WeakPolarHBondContact O-CG 3.47Å; L688-E692 PolarHBondContact O-N 3.1Å |
| 689 | E | 90.8 | Very high | 89 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.9 | -70 | 179 | -165.2 | 0 | 0 | 111.7 | Q685 D686 E692 A693 | Q685-E689 PolarHBondContact NE2-OE1 3.39Å; Q685-E689 WeakPolarHBondContact O-CG 3.38Å; Q685-E689 PolarHBondContact O-N 3.37Å; D686-E689 PolarHBondContact O-N 3.18Å; E689-E692 PolarHBondContact O-N 2.89Å; E689-A693 WeakPolarHBondContact O-CB 3.38Å; E689-A693 PolarHBondContact O-N 2.88Å |
| 690 | E | 93.3 | Very high | 89.8 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 174.9 | -169.2 | -152.3 | 139.5 | 0 | 0 | 112.1 | D686 L688 A693 Q694 | D686-E690 PolarHBondContact O-N 3.42Å; L688-E690 VanDerWaalsContact C-N 3.35Å; L688-E690 PolarHBondContact O-N 2.81Å; E690-A693 PolarHBondContact O-N 3.47Å; E690-Q694 WeakPolarHBondContact O-CG 3.47Å; E690-Q694 PolarHBondContact O-N 3.47Å; E690-Q694 PolarHBondContact OE1-NE2 3.14Å |
| 691 | K | 91.9 | Very high | 90.2 | Very high | 49 Ų | 49 | 73.8 Ų | 73.8 | 21% | 0.213 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.6 | -32.6 | -178.6 | -66.8 | -49.6 | -177 | -162.1 | 0 | 113 | L485 V489 L492 R687 L688 Q694 L695 | L485-K691 HydrophobicContact CD2-CD 4.06Å; V489-K691 HydrophobicContact CG2-CB 3.84Å; L492-K691 HydrophobicContact CD1-CB 4.39Å; L492-K691 HydrophobicContact CD1-CG 4.01Å; R687-K691 WeakPolarHBondContact O-CG 3.16Å; R687-K691 PolarHBondContact O-N 2.95Å; R687-K691 VanDerWaalsContact O-N 3.08Å; L688-K691 PolarHBondContact O-N 3Å; K691-Q694 PolarHBondContact O-N 3.09Å; K691-L695 WeakPolarHBondContact O-CB 3.26Å; K691-L695 PolarHBondContact O-N 3.02Å |
| 692 | E | 92.9 | Very high | 90.4 | Very high | 68 Ų | 68 | 74.5 Ų | 74.5 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 171.8 | -76.6 | -175.8 | 165.7 | 0 | 0 | 111.3 | V489 L688 E689 L695 Q696 | V489-E692 HydrophobicContact CB-CG 4.48Å; V489-E692 HydrophobicContact CG1-CG 3.66Å; V489-E692 HydrophobicContact CG2-CG 3.94Å; L688-E692 HydrophobicContact CD1-CG 4.14Å; L688-E692 HydrophobicContact CG-CG 4.41Å; L688-E692 WeakPolarHBondContact O-CB 3.48Å; L688-E692 WeakPolarHBondContact O-CG 3.47Å; L688-E692 PolarHBondContact O-N 3.1Å; E689-E692 PolarHBondContact O-N 2.89Å; E692-L695 PolarHBondContact O-N 3.34Å; E692-Q696 WeakPolarHBondContact O-CG 3.18Å; E692-Q696 PolarHBondContact O-N 3.01Å |
| 693 | A | 93.7 | Very high | 90.8 | Very high | 57 Ų | 57 | 73.6 Ų | 73.6 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E689 E690 L695 Q696 D697 | E689-A693 WeakPolarHBondContact O-CB 3.38Å; E689-A693 PolarHBondContact O-N 2.88Å; E690-A693 PolarHBondContact O-N 3.47Å; A693-L695 PolarHBondContact O-N 3.1Å; A693-Q696 PolarHBondContact O-N 3.45Å; A693-D697 PolarHBondContact O-N 3.35Å |
| 694 | Q | 92.1 | Very high | 91 | Very high | 68 Ų | 68 | 74.4 Ų | 74.4 | 32% | 0.318 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 175.1 | -73.1 | 169.7 | 11.6 | 0 | 0 | 112.2 | L485 E690 K691 D697 V698 | L485-Q694 HydrophobicContact CD1-CB 4.16Å; L485-Q694 HydrophobicContact CD2-CB 4.17Å; E690-Q694 WeakPolarHBondContact O-CG 3.47Å; E690-Q694 PolarHBondContact O-N 3.47Å; E690-Q694 PolarHBondContact OE1-NE2 3.14Å; K691-Q694 PolarHBondContact O-N 3.09Å; Q694-D697 PolarHBondContact O-N 3.28Å; Q694-V698 WeakPolarHBondContact O-CG2 3.27Å; Q694-V698 PolarHBondContact O-N 2.91Å; Q694-V698 VanDerWaalsContact O-N 3.08Å |
| 695 | L | 93.8 | Very high | 91 | Very high | 20 Ų | 20 | 74.9 Ų | 74.9 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.6 | -44.2 | 176.7 | -179.3 | 62.8 | 0 | 0 | 0 | 111.3 | R482 L485 V489 K691 E692 A693 D697 V698 E699 | R482-L695 HydrophobicContact CG-CD1 3.76Å; L485-L695 HydrophobicContact CB-CB 4.26Å; L485-L695 HydrophobicContact CB-CD1 3.89Å; V489-L695 HydrophobicContact CG2-CD2 4.24Å; K691-L695 WeakPolarHBondContact O-CB 3.26Å; K691-L695 PolarHBondContact O-N 3.02Å; E692-L695 PolarHBondContact O-N 3.34Å; A693-L695 PolarHBondContact O-N 3.1Å; L695-D697 VanDerWaalsContact C-N 3.32Å; L695-D697 PolarHBondContact O-N 3.28Å; L695-V698 PolarHBondContact O-N 2.76Å; L695-E699 HydrophobicContact CD1-CG 4.47Å; L695-E699 WeakPolarHBondContact O-CB 3.22Å; L695-E699 WeakPolarHBondContact O-CG 3.35Å; L695-E699 PolarHBondContact O-N 2.99Å |
| 696 | Q | 93.3 | Very high | 90.9 | Very high | 126 Ų | 126 | 77.4 Ų | 77.4 | 59% | 0.589 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.1 | -38 | 176.5 | -76.2 | -177 | 7.6 | 0 | 0 | 112.6 | E692 A693 E699 R700 | E692-Q696 WeakPolarHBondContact O-CG 3.18Å; E692-Q696 PolarHBondContact O-N 3.01Å; A693-Q696 PolarHBondContact O-N 3.45Å; Q696-E699 PolarHBondContact O-N 3.24Å; Q696-R700 WeakPolarHBondContact O-CB 3.41Å; Q696-R700 PolarHBondContact O-N 3.33Å |
| 697 | D | 93.3 | Very high | 90.8 | Very high | 77 Ų | 77 | 75.1 Ų | 75.1 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 176.2 | -170.3 | 63.8 | 0 | 0 | 0 | 111.6 | A693 Q694 L695 E699 R700 Q701 | A693-D697 PolarHBondContact O-N 3.35Å; Q694-D697 PolarHBondContact O-N 3.28Å; L695-D697 VanDerWaalsContact C-N 3.32Å; L695-D697 PolarHBondContact O-N 3.28Å; D697-E699 VanDerWaalsContact C-N 3.33Å; D697-E699 PolarHBondContact O-N 2.87Å; D697-R700 WeakPolarHBondContact O-CB 3.32Å; D697-R700 PolarHBondContact O-N 3.44Å; D697-Q701 WeakPolarHBondContact O-CG 2.98Å; D697-Q701 PolarHBondContact O-N 3.37Å; D697-Q701 PolarHBondContact OD2-NE2 3Å |
| 698 | V | 92.7 | Very high | 90.7 | Very high | 15 Ų | 15 | 70.4 Ų | 70.4 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | L478 R482 L485 Q694 L695 R700 Q701 L702 | L478-V698 HydrophobicContact CD2-CG1 4.41Å; R482-V698 HydrophobicContact CB-CG1 4Å; L485-V698 HydrophobicContact CD1-CG2 3.89Å; Q694-V698 WeakPolarHBondContact O-CG2 3.27Å; Q694-V698 PolarHBondContact O-N 2.91Å; Q694-V698 VanDerWaalsContact O-N 3.08Å; L695-V698 PolarHBondContact O-N 2.76Å; V698-R700 VanDerWaalsContact C-N 3.33Å; V698-Q701 PolarHBondContact O-N 2.82Å; V698-L702 HydrophobicContact CG1-CD1 4.2Å; V698-L702 WeakPolarHBondContact O-CB 3.38Å; V698-L702 WeakPolarHBondContact O-CG 3.35Å; V698-L702 PolarHBondContact O-N 3.37Å |
| 699 | E | 91.4 | Very high | 90.3 | Very high | 91 Ų | 91 | 69.8 Ų | 69.8 | 43% | 0.425 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.5 | -37.6 | 175.1 | -75.6 | -176.5 | 160.8 | 0 | 0 | 112.3 | R482 L695 Q696 D697 L702 A703 | R482-E699 HydrophobicContact CG-CG 4.25Å; L695-E699 HydrophobicContact CD1-CG 4.47Å; L695-E699 WeakPolarHBondContact O-CB 3.22Å; L695-E699 WeakPolarHBondContact O-CG 3.35Å; L695-E699 PolarHBondContact O-N 2.99Å; Q696-E699 PolarHBondContact O-N 3.24Å; D697-E699 VanDerWaalsContact C-N 3.33Å; D697-E699 PolarHBondContact O-N 2.87Å; E699-L702 PolarHBondContact O-N 2.88Å; E699-A703 WeakPolarHBondContact O-CB 3.3Å; E699-A703 PolarHBondContact O-N 2.87Å |
| 700 | R | 93.1 | Very high | 90.1 | Very high | 165 Ų | 165 | 69 Ų | 69 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64 | -47.6 | 172.5 | -172.3 | -176.7 | -67.8 | 171.3 | -0 | 111.2 | Q696 D697 V698 L702 A703 D704 | Q696-R700 WeakPolarHBondContact O-CB 3.41Å; Q696-R700 PolarHBondContact O-N 3.33Å; D697-R700 WeakPolarHBondContact O-CB 3.32Å; D697-R700 PolarHBondContact O-N 3.44Å; V698-R700 VanDerWaalsContact C-N 3.33Å; R700-L702 VanDerWaalsContact C-N 3.32Å; R700-L702 PolarHBondContact O-N 3.22Å; R700-A703 WeakPolarHBondContact O-CB 3.36Å; R700-A703 PolarHBondContact O-N 3.24Å; R700-A703 VanDerWaalsContact O-N 3.13Å; R700-D704 PolarHBondContact O-N 2.84Å |
| 701 | Q | 89.4 | Confident | 89.8 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 177.1 | -67.7 | 178.5 | 20.1 | 0 | 0 | 112.3 | L478 D697 V698 D704 L705 | L478-Q701 HydrophobicContact CD1-CB 4.33Å; D697-Q701 WeakPolarHBondContact O-CG 2.98Å; D697-Q701 PolarHBondContact O-N 3.37Å; D697-Q701 PolarHBondContact OD2-NE2 3Å; V698-Q701 PolarHBondContact O-N 2.82Å; Q701-D704 PolarHBondContact O-N 3.38Å; Q701-L705 WeakPolarHBondContact O-CB 3.31Å; Q701-L705 WeakPolarHBondContact O-CD1 3.34Å; Q701-L705 WeakPolarHBondContact O-CG 3.48Å; Q701-L705 PolarHBondContact O-N 2.76Å |
| 702 | L | 88.9 | Confident | 89.6 | Confident | 23 Ų | 23 | 69.9 Ų | 69.9 | 12% | 0.12 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 175.2 | -80 | 170 | 0 | 0 | 0 | 112.5 | L478 L479 R482 V698 E699 R700 L705 K706 | L478-L702 HydrophobicContact CB-CD1 4.47Å; L478-L702 HydrophobicContact CB-CD2 3.59Å; L478-L702 HydrophobicContact CB-CG 3.92Å; L478-L702 HydrophobicContact CD1-CD2 4.43Å; L479-L702 HydrophobicContact CD2-CD1 4.06Å; L479-L702 HydrophobicContact CD2-CD2 4.23Å; L479-L702 HydrophobicContact CG-CD2 4.03Å; R482-L702 HydrophobicContact CB-CD1 4.06Å; R482-L702 HydrophobicContact CG-CD1 4.42Å; V698-L702 HydrophobicContact CG1-CD1 4.2Å; V698-L702 WeakPolarHBondContact O-CB 3.38Å; V698-L702 WeakPolarHBondContact O-CG 3.35Å; V698-L702 PolarHBondContact O-N 3.37Å; E699-L702 PolarHBondContact O-N 2.88Å; R700-L702 VanDerWaalsContact C-N 3.32Å; R700-L702 PolarHBondContact O-N 3.22Å; L702-L705 PolarHBondContact O-N 3.34Å; L702-K706 WeakPolarHBondContact O-CB 3.38Å; L702-K706 PolarHBondContact O-N 3.05Å; L702-K706 VanDerWaalsContact O-N 3.08Å |
| 703 | A | 89 | Confident | 89.2 | Confident | 66 Ų | 66 | 73.2 Ų | 73.2 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E699 R700 | E699-A703 WeakPolarHBondContact O-CB 3.3Å; E699-A703 PolarHBondContact O-N 2.87Å; R700-A703 WeakPolarHBondContact O-CB 3.36Å; R700-A703 PolarHBondContact O-N 3.24Å; R700-A703 VanDerWaalsContact O-N 3.13Å |
| 704 | D | 87.9 | Confident | 88.9 | Confident | 120 Ų | 120 | 76.3 Ų | 76.3 | 64% | 0.642 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68 | -38.3 | 178 | -66.3 | -22.3 | 0 | 0 | 0 | 111.9 | R700 Q701 | R700-D704 PolarHBondContact O-N 2.84Å; Q701-D704 PolarHBondContact O-N 3.38Å |
| 705 | L | 88.2 | Confident | 88.7 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 17% | 0.168 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76.6 | -22.5 | -179 | -81.9 | 162.7 | 0 | 0 | 0 | 114.6 | Y470 L478 Q701 L702 G707 T708 A709 | Y470-L705 HydrophobicContact CD2-CD2 4.16Å; Y470-L705 HydrophobicContact CE2-CD2 4.14Å; L478-L705 HydrophobicContact CD1-CD1 3.27Å; Q701-L705 WeakPolarHBondContact O-CB 3.31Å; Q701-L705 WeakPolarHBondContact O-CD1 3.34Å; Q701-L705 WeakPolarHBondContact O-CG 3.48Å; Q701-L705 PolarHBondContact O-N 2.76Å; L702-L705 PolarHBondContact O-N 3.34Å; L705-G707 VanDerWaalsContact C-N 3.35Å; L705-G707 PolarHBondContact O-N 2.7Å; L705-T708 WeakPolarHBondContact CA-OG1 3.3Å; L705-T708 PolarHBondContact O-N 2.77Å; L705-T708 PolarHBondContact O-OG1 3.46Å; L705-A709 WeakPolarHBondContact O-CB 3.44Å; L705-A709 PolarHBondContact O-N 3.08Å |
| 706 | K | 84.7 | Confident | 88.5 | Confident | 120 Ų | 120 | 76.5 Ų | 76.5 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.3 | -46.3 | -172.8 | -171.5 | 178.3 | 179.8 | -175.4 | 0 | 112.8 | L702 T708 A709 E710 | L702-K706 WeakPolarHBondContact O-CB 3.38Å; L702-K706 PolarHBondContact O-N 3.05Å; L702-K706 VanDerWaalsContact O-N 3.08Å; K706-T708 PolarHBondContact O-N 3.02Å; K706-A709 PolarHBondContact O-N 3.3Å; K706-E710 WeakPolarHBondContact CE-OE1 3.3Å; K706-E710 WeakPolarHBondContact O-CG 3.22Å; K706-E710 PolarHBondContact O-N 3.17Å |
| 707 | G | 84.7 | Confident | 88.2 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 38% | 0.381 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.7 | -33.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L705 K711 | L705-G707 VanDerWaalsContact C-N 3.35Å; L705-G707 PolarHBondContact O-N 2.7Å; G707-K711 VanDerWaalsContact O-CG 3.31Å; G707-K711 WeakPolarHBondContact O-CG 3.32Å; G707-K711 PolarHBondContact O-N 2.87Å |
| 708 | T | 86.8 | Confident | 88 | Confident | 51 Ų | 51 | 77.6 Ų | 77.6 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -75.3 | -40 | 175.3 | 42.7 | 0 | 0 | 0 | 0 | 112.1 | L705 K706 K711 Y712 | L705-T708 WeakPolarHBondContact CA-OG1 3.3Å; L705-T708 PolarHBondContact O-N 2.77Å; L705-T708 PolarHBondContact O-OG1 3.46Å; K706-T708 PolarHBondContact O-N 3.02Å; T708-K711 PolarHBondContact O-N 3.45Å; T708-Y712 WeakPolarHBondContact O-CB 3.39Å; T708-Y712 PolarHBondContact O-N 3.06Å |
| 709 | A | 85.4 | Confident | 87.9 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 2% | 0.017 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y470 E475 L705 K706 Y712 R713 | Y470-A709 HydrophobicContact CE2-CB 3.81Å; E475-A709 WeakPolarHBondContact OE2-CB 3.32Å; L705-A709 WeakPolarHBondContact O-CB 3.44Å; L705-A709 PolarHBondContact O-N 3.08Å; K706-A709 PolarHBondContact O-N 3.3Å; A709-Y712 PolarHBondContact O-N 3.35Å; A709-R713 WeakPolarHBondContact O-CB 3.29Å; A709-R713 PolarHBondContact O-N 2.95Å |
| 710 | E | 85.7 | Confident | 87.8 | Confident | 89 Ų | 89 | 78.5 Ų | 78.5 | 42% | 0.416 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 174.9 | -76.8 | 175.2 | -172.9 | 0 | 0 | 112 | K706 R713 Q714 | K706-E710 WeakPolarHBondContact CE-OE1 3.3Å; K706-E710 WeakPolarHBondContact O-CG 3.22Å; K706-E710 PolarHBondContact O-N 3.17Å; E710-R713 PolarHBondContact O-N 2.81Å; E710-Q714 WeakPolarHBondContact O-CG 3.45Å; E710-Q714 PolarHBondContact O-N 2.7Å |
| 711 | K | 86.6 | Confident | 87.5 | Confident | 127 Ų | 127 | 75.5 Ų | 75.5 | 55% | 0.552 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 176.1 | -73 | 174.4 | -175.8 | 176.4 | 0 | 112.2 | L468 G707 T708 Q714 L715 | L468-K711 HydrophobicContact CD1-CB 4.35Å; L468-K711 HydrophobicContact CD2-CB 4.49Å; G707-K711 VanDerWaalsContact O-CG 3.31Å; G707-K711 WeakPolarHBondContact O-CG 3.32Å; G707-K711 PolarHBondContact O-N 2.87Å; T708-K711 PolarHBondContact O-N 3.45Å; K711-Q714 PolarHBondContact O-N 2.84Å; K711-L715 PolarHBondContact O-N 3.38Å |
| 712 | Y | 88.1 | Confident | 87.5 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.3 | -46 | 175.8 | -178.9 | -90.4 | 0 | 0 | 0 | 111.1 | L465 Y470 T708 A709 Q714 L715 K716 | L465-Y712 HydrophobicContact CB-CE2 4.46Å; L465-Y712 HydrophobicContact CD2-CD2 3.61Å; L465-Y712 HydrophobicContact CD2-CE2 3.64Å; L465-Y712 HydrophobicContact CD2-CG 4.18Å; Y470-Y712 AromaticContact CD1-CD1 3.56Å; Y470-Y712 HydrophobicContact CD1-CD1 3.56Å; Y470-Y712 AromaticContact CD1-CD2 3.85Å; Y470-Y712 HydrophobicContact CD1-CD2 3.85Å; Y470-Y712 AromaticContact CD1-CE1 3.96Å; Y470-Y712 HydrophobicContact CD1-CE1 3.96Å; Y470-Y712 HydrophobicContact CD1-CE2 4.21Å; Y470-Y712 AromaticContact CD1-CG 3.5Å; Y470-Y712 HydrophobicContact CD1-CG 3.5Å; Y470-Y712 VanDerWaalsContact CD1-CG 3.5Å; Y470-Y712 AromaticContact CE1-CD1 3.89Å; Y470-Y712 HydrophobicContact CE1-CD1 3.89Å; Y470-Y712 HydrophobicContact CE1-CE1 4.3Å; Y470-Y712 HydrophobicContact CE1-CG 4.23Å; Y470-Y712 HydrophobicContact CG-CD2 4.32Å; Y470-Y712 HydrophobicContact CG-CG 4.16Å; T708-Y712 WeakPolarHBondContact O-CB 3.39Å; T708-Y712 PolarHBondContact O-N 3.06Å; A709-Y712 PolarHBondContact O-N 3.35Å; Y712-Q714 PolarHBondContact O-N 3.15Å; Y712-L715 PolarHBondContact O-N 3.42Å; Y712-K716 HydrophobicContact CE1-CB 4.42Å; Y712-K716 HydrophobicContact CE1-CD 3.88Å; Y712-K716 VanDerWaalsContact O-CB 3.25Å; Y712-K716 WeakPolarHBondContact O-CB 3.43Å; Y712-K716 PolarHBondContact O-N 3.21Å |
| 713 | R | 85 | Confident | 87.5 | Confident | 138 Ų | 138 | 76.7 Ų | 76.7 | 52% | 0.521 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 179.3 | -151.2 | -178.1 | -58.8 | 154.6 | 1.5 | 112.1 | E475 A709 E710 Q717 | E475-R713 IonicContact OE1-NH2 3.47Å; E475-R713 IonicContact OE2-NH2 3.84Å; E475-R713 PolarHBondContact OE2-NH2 2.89Å; A709-R713 WeakPolarHBondContact O-CB 3.29Å; A709-R713 PolarHBondContact O-N 2.95Å; E710-R713 PolarHBondContact O-N 2.81Å; R713-Q717 WeakPolarHBondContact O-CB 3.4Å; R713-Q717 PolarHBondContact O-N 3.43Å |
| 714 | Q | 87.3 | Confident | 87.3 | Confident | 121 Ų | 121 | 79 Ų | 79 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.2 | -46.5 | 175.7 | -73 | 176.4 | 0.3 | 0 | 0 | 112.4 | E710 K711 Y712 Q718 | E710-Q714 WeakPolarHBondContact O-CG 3.45Å; E710-Q714 PolarHBondContact O-N 2.7Å; K711-Q714 PolarHBondContact O-N 2.84Å; Y712-Q714 PolarHBondContact O-N 3.15Å; Q714-Q718 WeakPolarHBondContact O-CG 3.15Å; Q714-Q718 PolarHBondContact O-N 3.22Å; Q714-Q718 VanDerWaalsContact O-N 3.09Å |
| 715 | L | 88.8 | Confident | 87.4 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 178.2 | -77.7 | 166 | 0 | 0 | 0 | 112.2 | L461 L465 L468 K711 Y712 Q718 H719 | L461-L715 HydrophobicContact CD2-CD2 3.59Å; L465-L715 HydrophobicContact CD2-CB 3.69Å; L465-L715 HydrophobicContact CG-CB 4.13Å; L468-L715 HydrophobicContact CD1-CD1 3.51Å; K711-L715 PolarHBondContact O-N 3.38Å; Y712-L715 PolarHBondContact O-N 3.42Å; L715-Q718 PolarHBondContact O-N 3.2Å; L715-H719 WeakPolarHBondContact O-CB 3.41Å; L715-H719 PolarHBondContact O-N 2.85Å |
| 716 | K | 88.1 | Confident | 87.4 | Confident | 49 Ų | 49 | 76.7 Ų | 76.7 | 21% | 0.213 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.2 | -45.9 | 177.7 | -178 | 169.6 | 177.4 | 168.7 | 0 | 110.9 | L465 E472 Y712 Q718 H719 E720 | L465-K716 HydrophobicContact CD2-CB 4.11Å; E472-K716 IonicContact OE1-NZ 3.72Å; E472-K716 PolarHBondContact OE1-NZ 3.34Å; E472-K716 IonicContact OE2-NZ 3.63Å; E472-K716 PolarHBondContact OE2-NZ 3.36Å; Y712-K716 HydrophobicContact CE1-CB 4.42Å; Y712-K716 HydrophobicContact CE1-CD 3.88Å; Y712-K716 VanDerWaalsContact O-CB 3.25Å; Y712-K716 WeakPolarHBondContact O-CB 3.43Å; Y712-K716 PolarHBondContact O-N 3.21Å; K716-Q718 VanDerWaalsContact C-N 3.32Å; K716-Q718 PolarHBondContact O-N 3.02Å; K716-H719 WeakPolarHBondContact O-CB 3.42Å; K716-H719 PolarHBondContact O-N 3.19Å; K716-H719 VanDerWaalsContact O-N 3.15Å; K716-E720 WeakPolarHBondContact CE-OE1 3.48Å; K716-E720 WeakPolarHBondContact O-CG 3.4Å; K716-E720 PolarHBondContact O-N 3.02Å |
| 717 | Q | 87.8 | Confident | 87.4 | Confident | 124 Ų | 124 | 76.6 Ų | 76.6 | 58% | 0.579 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.8 | -42.6 | 174.4 | -173 | -178.8 | 14.1 | 0 | 0 | 111.9 | R713 H719 E720 L721 | R713-Q717 WeakPolarHBondContact O-CB 3.4Å; R713-Q717 PolarHBondContact O-N 3.43Å; Q717-H719 VanDerWaalsContact C-N 3.34Å; Q717-E720 PolarHBondContact O-N 3.15Å; Q717-L721 HydrophobicContact CG-CD1 4.48Å; Q717-L721 VanDerWaalsContact O-CG 3.31Å; Q717-L721 WeakPolarHBondContact O-CG 3.31Å; Q717-L721 PolarHBondContact O-N 3.36Å; Q717-L721 VanDerWaalsContact O-N 3.08Å |
| 718 | Q | 88.9 | Confident | 87.4 | Confident | 102 Ų | 102 | 80.5 Ų | 80.5 | 48% | 0.477 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 175.7 | -72.4 | 177.8 | 1.1 | 0 | 0 | 112.3 | L461 Q714 L715 K716 K722 | L461-Q718 HydrophobicContact CD1-CB 4.01Å; L461-Q718 HydrophobicContact CD2-CB 4.12Å; Q714-Q718 WeakPolarHBondContact O-CG 3.15Å; Q714-Q718 PolarHBondContact O-N 3.22Å; Q714-Q718 VanDerWaalsContact O-N 3.09Å; L715-Q718 PolarHBondContact O-N 3.2Å; K716-Q718 VanDerWaalsContact C-N 3.32Å; K716-Q718 PolarHBondContact O-N 3.02Å; Q718-K722 WeakPolarHBondContact O-CG 2.88Å; Q718-K722 PolarHBondContact O-N 2.86Å |
| 719 | H | 90.9 | Very high | 87.4 | Confident | 31 Ų | 31 | 79.2 Ų | 79.2 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 176.6 | 176.3 | -89.7 | 0 | 0 | 0 | 111.4 | R458 L461 L465 L715 K716 Q717 K722 L723 | R458-H719 WeakPolarHBondContact CG-NE2 3.28Å; L461-H719 HydrophobicContact CB-CB 4.16Å; L465-H719 HydrophobicContact CD1-CB 3.91Å; L715-H719 WeakPolarHBondContact O-CB 3.41Å; L715-H719 PolarHBondContact O-N 2.85Å; K716-H719 WeakPolarHBondContact O-CB 3.42Å; K716-H719 PolarHBondContact O-N 3.19Å; K716-H719 VanDerWaalsContact O-N 3.15Å; Q717-H719 VanDerWaalsContact C-N 3.34Å; H719-K722 PolarHBondContact O-N 3.19Å; H719-L723 WeakPolarHBondContact O-CB 3.38Å; H719-L723 PolarHBondContact O-N 3.43Å |
| 720 | E | 88 | Confident | 87.4 | Confident | 94 Ų | 94 | 82.4 Ų | 82.4 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.5 | -74 | 169.7 | -177 | 0 | 0 | 111.6 | K716 Q717 K722 L723 E724 | K716-E720 WeakPolarHBondContact CE-OE1 3.48Å; K716-E720 WeakPolarHBondContact O-CG 3.4Å; K716-E720 PolarHBondContact O-N 3.02Å; Q717-E720 PolarHBondContact O-N 3.15Å; E720-K722 VanDerWaalsContact C-N 3.31Å; E720-K722 PolarHBondContact O-N 3.34Å; E720-L723 WeakPolarHBondContact O-CB 3.29Å; E720-L723 PolarHBondContact O-N 2.97Å; E720-E724 PolarHBondContact O-N 3.41Å |
| 721 | L | 88.4 | Confident | 87.2 | Confident | 102 Ų | 102 | 80 Ų | 80 | 53% | 0.534 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 175.5 | -71.6 | 171.2 | 0 | 0 | 0 | 112.5 | Q717 E725 | Q717-L721 HydrophobicContact CG-CD1 4.48Å; Q717-L721 VanDerWaalsContact O-CG 3.31Å; Q717-L721 WeakPolarHBondContact O-CG 3.31Å; Q717-L721 PolarHBondContact O-N 3.36Å; Q717-L721 VanDerWaalsContact O-N 3.08Å; L721-E725 WeakPolarHBondContact O-CB 3.03Å; L721-E725 PolarHBondContact O-N 3.26Å |
| 722 | K | 88.4 | Confident | 87 | Confident | 60 Ų | 60 | 79 Ų | 79 | 26% | 0.261 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.6 | -30.7 | 177.3 | -74.3 | -59.6 | -178.4 | -171.6 | 0 | 113.3 | R458 L461 Q718 H719 E720 E725 E726 | R458-K722 HydrophobicContact CB-CB 4.37Å; L461-K722 HydrophobicContact CD1-CB 4.33Å; L461-K722 HydrophobicContact CD1-CG 3.83Å; Q718-K722 WeakPolarHBondContact O-CG 2.88Å; Q718-K722 PolarHBondContact O-N 2.86Å; H719-K722 PolarHBondContact O-N 3.19Å; E720-K722 VanDerWaalsContact C-N 3.31Å; E720-K722 PolarHBondContact O-N 3.34Å; K722-E725 WeakPolarHBondContact CD-OE2 3.4Å; K722-E725 WeakPolarHBondContact CE-OE2 3.34Å; K722-E725 IonicContact NZ-OE1 3.36Å; K722-E725 IonicContact NZ-OE2 3.35Å; K722-E725 PolarHBondContact NZ-OE2 3.47Å; K722-E726 WeakPolarHBondContact O-CB 3.42Å; K722-E726 PolarHBondContact O-N 3.07Å |
| 723 | L | 89.3 | Confident | 86.7 | Confident | 65 Ų | 65 | 77.9 Ų | 77.9 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 173.7 | -173.5 | 74.8 | 0 | 0 | 0 | 111 | H719 E720 E726 Q727 | H719-L723 WeakPolarHBondContact O-CB 3.38Å; H719-L723 PolarHBondContact O-N 3.43Å; E720-L723 WeakPolarHBondContact O-CB 3.29Å; E720-L723 PolarHBondContact O-N 2.97Å; L723-E726 WeakPolarHBondContact O-CB 3.49Å; L723-E726 PolarHBondContact O-N 3.29Å; L723-Q727 WeakPolarHBondContact O-CG 3.38Å; L723-Q727 PolarHBondContact O-N 2.93Å |
| 724 | E | 85.4 | Confident | 86.3 | Confident | 115 Ų | 115 | 76.8 Ų | 76.8 | 54% | 0.537 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 175 | -70.7 | -176.8 | 170.3 | 0 | 0 | 111.7 | E720 E726 Q727 I728 | E720-E724 PolarHBondContact O-N 3.41Å; E724-E726 VanDerWaalsContact C-N 3.32Å; E724-E726 PolarHBondContact O-N 3.23Å; E724-Q727 PolarHBondContact O-N 2.9Å; E724-I728 WeakPolarHBondContact O-CG1 3.46Å; E724-I728 PolarHBondContact O-N 2.61Å |
| 725 | E | 88.3 | Confident | 85.7 | Confident | 81 Ų | 81 | 78.1 Ų | 78.1 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.5 | -41.8 | 174.8 | -171.5 | -180 | 173.4 | 0 | 0 | 111.7 | L721 K722 I728 L729 | L721-E725 WeakPolarHBondContact O-CB 3.03Å; L721-E725 PolarHBondContact O-N 3.26Å; K722-E725 WeakPolarHBondContact CD-OE2 3.4Å; K722-E725 WeakPolarHBondContact CE-OE2 3.34Å; K722-E725 IonicContact NZ-OE1 3.36Å; K722-E725 IonicContact NZ-OE2 3.35Å; K722-E725 PolarHBondContact NZ-OE2 3.47Å; E725-I728 PolarHBondContact O-N 3.45Å; E725-L729 HydrophobicContact CG-CD1 4.05Å; E725-L729 WeakPolarHBondContact O-CB 3.31Å; E725-L729 VanDerWaalsContact O-CG 3.28Å; E725-L729 WeakPolarHBondContact O-CG 3.31Å; E725-L729 PolarHBondContact O-N 3.22Å |
| 726 | E | 88.9 | Confident | 85.2 | Confident | 23 Ų | 23 | 77 Ų | 77 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 174.8 | -174.8 | -175 | 163.6 | 0 | 0 | 111.7 | L451 R455 R458 K722 L723 E724 I728 L729 Q730 | L451-E726 HydrophobicContact CD1-CG 3.68Å; L451-E726 WeakPolarHBondContact CD1-O 3.32Å; R455-E726 HydrophobicContact CG-CG 3.88Å; R455-E726 WeakPolarHBondContact CG-OE1 3.48Å; R455-E726 IonicContact CZ-OE1 3.27Å; R455-E726 IonicContact NE-OE1 3.93Å; R455-E726 PolarHBondContact NE-OE1 2.86Å; R455-E726 IonicContact NH2-OE1 3.92Å; R458-E726 WeakPolarHBondContact CD-OE2 3.42Å; R458-E726 IonicContact NE-OE2 3.5Å; R458-E726 PolarHBondContact NE-OE2 2.79Å; K722-E726 WeakPolarHBondContact O-CB 3.42Å; K722-E726 PolarHBondContact O-N 3.07Å; L723-E726 WeakPolarHBondContact O-CB 3.49Å; L723-E726 PolarHBondContact O-N 3.29Å; E724-E726 VanDerWaalsContact C-N 3.32Å; E724-E726 PolarHBondContact O-N 3.23Å; E726-I728 PolarHBondContact O-N 2.98Å; E726-L729 PolarHBondContact O-N 3Å; E726-Q730 VanDerWaalsContact O-CB 3.3Å; E726-Q730 WeakPolarHBondContact O-CB 3.22Å; E726-Q730 PolarHBondContact O-N 3.27Å |
| 727 | Q | 84.8 | Confident | 84.4 | Confident | 117 Ų | 117 | 78 Ų | 78 | 55% | 0.547 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | -179.5 | -72.3 | 176.9 | 3.4 | 0 | 0 | 112.1 | L723 E724 Q730 A731 | L723-Q727 WeakPolarHBondContact O-CG 3.38Å; L723-Q727 PolarHBondContact O-N 2.93Å; E724-Q727 PolarHBondContact O-N 2.9Å; Q727-Q730 PolarHBondContact O-N 3.08Å; Q727-A731 WeakPolarHBondContact O-CB 3.11Å; Q727-A731 PolarHBondContact O-N 2.88Å |
| 728 | I | 85.3 | Confident | 83.8 | Confident | 119 Ų | 119 | 72.9 Ų | 72.9 | 61% | 0.61 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.9 | -46 | 176.8 | -66.9 | 166.5 | 0 | 0 | 0 | 110.4 | E724 E725 E726 Q730 A731 K732 | E724-I728 WeakPolarHBondContact O-CG1 3.46Å; E724-I728 PolarHBondContact O-N 2.61Å; E725-I728 PolarHBondContact O-N 3.45Å; E726-I728 PolarHBondContact O-N 2.98Å; I728-Q730 VanDerWaalsContact C-N 3.34Å; I728-Q730 PolarHBondContact O-N 3.38Å; I728-A731 PolarHBondContact O-N 3.01Å; I728-K732 WeakPolarHBondContact O-CB 3.47Å; I728-K732 PolarHBondContact O-N 3.32Å |
| 729 | L | 86.1 | Confident | 83 | Confident | 24 Ų | 24 | 71.6 Ų | 71.6 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 178 | -72.7 | 170.5 | 0 | 0 | 0 | 111.8 | A450 L451 A454 E725 E726 K732 V733 | A450-L729 HydrophobicContact CB-CD1 4.26Å; A450-L729 HydrophobicContact CB-CD2 4.33Å; L451-L729 HydrophobicContact CB-CB 4.26Å; L451-L729 HydrophobicContact CD1-CB 3.91Å; A454-L729 HydrophobicContact CB-CD1 4Å; E725-L729 HydrophobicContact CG-CD1 4.05Å; E725-L729 WeakPolarHBondContact O-CB 3.31Å; E725-L729 VanDerWaalsContact O-CG 3.28Å; E725-L729 WeakPolarHBondContact O-CG 3.31Å; E725-L729 PolarHBondContact O-N 3.22Å; E726-L729 PolarHBondContact O-N 3Å; L729-K732 PolarHBondContact O-N 3.39Å; L729-V733 VanDerWaalsContact O-CG2 3.3Å; L729-V733 WeakPolarHBondContact O-CG2 3.48Å; L729-V733 PolarHBondContact O-N 3.46Å |
| 730 | Q | 84.9 | Confident | 82.1 | Confident | 69 Ų | 69 | 75.8 Ų | 75.8 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 176.8 | -176.8 | 172.4 | -2.1 | 0 | 0 | 111.6 | L451 E726 Q727 I728 K732 V733 Q734 | L451-Q730 HydrophobicContact CD1-CB 4.05Å; L451-Q730 HydrophobicContact CD2-CB 4.4Å; E726-Q730 VanDerWaalsContact O-CB 3.3Å; E726-Q730 WeakPolarHBondContact O-CB 3.22Å; E726-Q730 PolarHBondContact O-N 3.27Å; Q727-Q730 PolarHBondContact O-N 3.08Å; I728-Q730 VanDerWaalsContact C-N 3.34Å; I728-Q730 PolarHBondContact O-N 3.38Å; Q730-K732 VanDerWaalsContact C-N 3.28Å; Q730-K732 PolarHBondContact O-N 3.05Å; Q730-V733 PolarHBondContact O-N 3.06Å; Q730-Q734 WeakPolarHBondContact O-CG 3.45Å; Q730-Q734 PolarHBondContact O-N 2.76Å |
| 731 | A | 81.4 | Confident | 81.5 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q727 I728 Q734 Q735 | Q727-A731 WeakPolarHBondContact O-CB 3.11Å; Q727-A731 PolarHBondContact O-N 2.88Å; I728-A731 PolarHBondContact O-N 3.01Å; A731-Q734 PolarHBondContact O-N 2.91Å; A731-Q735 WeakPolarHBondContact O-CB 3.38Å; A731-Q735 VanDerWaalsContact O-CG 3.31Å; A731-Q735 WeakPolarHBondContact O-CG 3.3Å; A731-Q735 PolarHBondContact O-N 3.36Å |
| 732 | K | 82.9 | Confident | 81 | Confident | 105 Ų | 105 | 71.4 Ų | 71.4 | 46% | 0.457 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 177.6 | -167.1 | -175.3 | 177 | -152.2 | 0 | 112.8 | D447 I728 L729 Q730 S736 | D447-K732 IonicContact OD1-NZ 3.68Å; D447-K732 PolarHBondContact OD1-NZ 3.24Å; D447-K732 IonicContact OD2-NZ 3.5Å; D447-K732 PolarHBondContact OD2-NZ 3.25Å; I728-K732 WeakPolarHBondContact O-CB 3.47Å; I728-K732 PolarHBondContact O-N 3.32Å; L729-K732 PolarHBondContact O-N 3.39Å; Q730-K732 VanDerWaalsContact C-N 3.28Å; Q730-K732 PolarHBondContact O-N 3.05Å; K732-S736 PolarHBondContact O-N 3.45Å |
| 733 | V | 82.2 | Confident | 80.4 | Confident | 13 Ų | 13 | 73 Ų | 73 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -42.8 | 175.4 | 170 | 0 | 0 | 0 | 0 | 110.9 | Y444 D447 L451 L729 Q730 S736 | Y444-V733 HydrophobicContact CD2-CG1 4.37Å; Y444-V733 HydrophobicContact CE2-CG1 3.57Å; D447-V733 HydrophobicContact CB-CG2 3.93Å; L451-V733 HydrophobicContact CD2-CG2 4.39Å; L729-V733 VanDerWaalsContact O-CG2 3.3Å; L729-V733 WeakPolarHBondContact O-CG2 3.48Å; L729-V733 PolarHBondContact O-N 3.46Å; Q730-V733 PolarHBondContact O-N 3.06Å; V733-S736 WeakPolarHBondContact O-CB 3.5Å; V733-S736 PolarHBondContact O-N 2.86Å; V733-S736 PolarHBondContact O-OG 3.12Å |
| 734 | Q | 76.8 | Confident | 79.9 | Confident | 114 Ų | 114 | 74.1 Ų | 74.1 | 53% | 0.533 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.8 | -33.9 | 178.4 | -72.8 | 178.4 | -14.8 | 0 | 0 | 113.3 | Q730 A731 S736 | Q730-Q734 WeakPolarHBondContact O-CG 3.45Å; Q730-Q734 PolarHBondContact O-N 2.76Å; A731-Q734 PolarHBondContact O-N 2.91Å; Q734-S736 VanDerWaalsContact C-N 3.28Å; Q734-S736 PolarHBondContact O-N 3.31Å |
| 735 | Q | 73.3 | Confident | 79.7 | Confident | 149 Ų | 149 | 69.3 Ų | 69.3 | 70% | 0.696 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1 | 177.1 | -68.8 | 178.3 | 3.3 | 0 | 0 | 113.6 | A731 | A731-Q735 WeakPolarHBondContact O-CB 3.38Å; A731-Q735 VanDerWaalsContact O-CG 3.31Å; A731-Q735 WeakPolarHBondContact O-CG 3.3Å; A731-Q735 PolarHBondContact O-N 3.36Å |
| 736 | S | 79.6 | Confident | 79.4 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -68.9 | 141.2 | -178.6 | 72.3 | 0 | 0 | 0 | 0 | 112 | Y444 K732 V733 Q734 F738 H739 Q740 | Y444-S736 WeakPolarHBondContact CD2-OG 3.49Å; K732-S736 PolarHBondContact O-N 3.45Å; V733-S736 WeakPolarHBondContact O-CB 3.5Å; V733-S736 PolarHBondContact O-N 2.86Å; V733-S736 PolarHBondContact O-OG 3.12Å; Q734-S736 VanDerWaalsContact C-N 3.28Å; Q734-S736 PolarHBondContact O-N 3.31Å; S736-F738 PolarHBondContact O-N 2.97Å; S736-F738 VanDerWaalsContact O-N 3.16Å; S736-H739 PolarHBondContact O-N 3.27Å; S736-H739 VanDerWaalsContact O-N 3.14Å; S736-H739 PolarHBondContact OG-N 3.18Å; S736-Q740 PolarHBondContact O-N 2.84Å |
| 737 | S | 69.9 | Low | 79 | Confident | 71 Ų | 71 | 77.7 Ų | 77.7 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59 | -27.7 | 176.3 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | Q741 | S737-Q741 WeakPolarHBondContact O-CB 3.41Å; S737-Q741 WeakPolarHBondContact O-CG 3.48Å; S737-Q741 PolarHBondContact O-N 3.44Å |
| 738 | F | 75.9 | Confident | 78.9 | Confident | 17 Ų | 17 | 73.5 Ų | 73.5 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 176.3 | -176.1 | -87.7 | 0 | 0 | 0 | 112.1 | V437 M440 D441 Y444 S736 Q740 Q741 Q742 | V437-F738 HydrophobicContact CG1-CD2 4.11Å; V437-F738 HydrophobicContact CG1-CE2 3.47Å; V437-F738 VanDerWaalsContact CG1-CE2 3.47Å; V437-F738 HydrophobicContact CG1-CZ 3.81Å; V437-F738 WeakPolarHBondContact O-CE2 3.43Å; M440-F738 HydrophobicContact CB-CD2 4.03Å; D441-F738 HydrophobicContact CB-CE2 4.31Å; Y444-F738 AromaticContact CD1-CD1 3.47Å; Y444-F738 HydrophobicContact CD1-CD1 3.47Å; Y444-F738 VanDerWaalsContact CD1-CD1 3.47Å; Y444-F738 AromaticContact CD1-CE1 3.48Å; Y444-F738 HydrophobicContact CD1-CE1 3.48Å; Y444-F738 VanDerWaalsContact CD1-CE1 3.48Å; Y444-F738 HydrophobicContact CD1-CG 4.26Å; Y444-F738 HydrophobicContact CD1-CZ 4.26Å; Y444-F738 HydrophobicContact CD2-CB 4.03Å; Y444-F738 AromaticContact CD2-CD1 3.6Å; Y444-F738 HydrophobicContact CD2-CD1 3.6Å; Y444-F738 HydrophobicContact CD2-CE1 4.42Å; Y444-F738 HydrophobicContact CD2-CG 4.11Å; Y444-F738 AromaticContact CE1-CD1 3.86Å; Y444-F738 HydrophobicContact CE1-CD1 3.86Å; Y444-F738 AromaticContact CE1-CE1 3.73Å; Y444-F738 HydrophobicContact CE1-CE1 3.73Å; Y444-F738 AromaticContact CE2-CD1 3.95Å; Y444-F738 HydrophobicContact CE2-CD1 3.95Å; Y444-F738 HydrophobicContact CG-CB 4.08Å; Y444-F738 AromaticContact CG-CD1 3.33Å; Y444-F738 HydrophobicContact CG-CD1 3.33Å; Y444-F738 AromaticContact CG-CE1 3.86Å; Y444-F738 HydrophobicContact CG-CE1 3.86Å; Y444-F738 AromaticContact CG-CG 3.78Å; Y444-F738 HydrophobicContact CG-CG 3.78Å; S736-F738 PolarHBondContact O-N 2.97Å; S736-F738 VanDerWaalsContact O-N 3.16Å; F738-Q740 PolarHBondContact O-N 3.08Å; F738-Q741 PolarHBondContact O-N 2.87Å; F738-Q742 WeakPolarHBondContact O-CB 3.46Å; F738-Q742 PolarHBondContact O-N 3.19Å |
| 739 | H | 71.9 | Confident | 78.8 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 35% | 0.347 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | -179.8 | -167.2 | 59.4 | 0 | 0 | 0 | 111.6 | Y444 S736 Q742 E743 | Y444-H739 HydrophobicContact CE2-CB 4.34Å; S736-H739 PolarHBondContact O-N 3.27Å; S736-H739 VanDerWaalsContact O-N 3.14Å; S736-H739 PolarHBondContact OG-N 3.18Å; H739-Q742 PolarHBondContact O-N 3.22Å; H739-E743 PolarHBondContact O-N 3.03Å; H739-E743 VanDerWaalsContact O-N 3.09Å |
| 740 | Q | 73.1 | Confident | 78.5 | Confident | 118 Ų | 118 | 80 Ų | 80 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 175.3 | -65.9 | 175.9 | -7.9 | 0 | 0 | 112.4 | S736 F738 Q742 E743 E744 | S736-Q740 PolarHBondContact O-N 2.84Å; F738-Q740 PolarHBondContact O-N 3.08Å; Q740-Q742 VanDerWaalsContact C-N 3.35Å; Q740-E743 PolarHBondContact O-N 3.27Å; Q740-E744 PolarHBondContact O-N 3.19Å; Q740-E744 VanDerWaalsContact O-N 3.13Å |
| 741 | Q | 75.7 | Confident | 78.3 | Confident | 29 Ų | 29 | 78.5 Ų | 78.5 | 14% | 0.136 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -71.1 | -28.5 | 176.1 | -73.5 | -161.2 | -14.3 | 0 | 0 | 113.1 | V437 S737 F738 E744 L745 | V437-Q741 HydrophobicContact CG2-CB 3.71Å; S737-Q741 WeakPolarHBondContact O-CB 3.41Å; S737-Q741 WeakPolarHBondContact O-CG 3.48Å; S737-Q741 PolarHBondContact O-N 3.44Å; F738-Q741 PolarHBondContact O-N 2.87Å; Q741-E744 PolarHBondContact O-N 3.48Å; Q741-L745 WeakPolarHBondContact O-CG 3.17Å; Q741-L745 PolarHBondContact O-N 3.48Å |
| 742 | Q | 76.4 | Confident | 78.5 | Confident | 75 Ų | 75 | 77.3 Ų | 77.3 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 175.1 | -170.1 | 175.1 | 1.6 | 0 | 0 | 111.6 | F738 H739 Q740 E744 L745 E746 | F738-Q742 WeakPolarHBondContact O-CB 3.46Å; F738-Q742 PolarHBondContact O-N 3.19Å; H739-Q742 PolarHBondContact O-N 3.22Å; Q740-Q742 VanDerWaalsContact C-N 3.35Å; Q742-E744 VanDerWaalsContact C-N 3.33Å; Q742-L745 WeakPolarHBondContact O-CB 3.35Å; Q742-L745 PolarHBondContact O-N 3.41Å; Q742-E746 PolarHBondContact O-N 3.12Å; Q742-E746 VanDerWaalsContact O-N 3.1Å |
| 743 | E | 76.9 | Confident | 78.4 | Confident | 94 Ų | 94 | 78.9 Ų | 78.9 | 44% | 0.439 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 173.7 | -155 | -166.3 | 145.8 | 0 | 0 | 111.4 | H739 Q740 L745 E746 R747 | H739-E743 PolarHBondContact O-N 3.03Å; H739-E743 VanDerWaalsContact O-N 3.09Å; Q740-E743 PolarHBondContact O-N 3.27Å; E743-L745 VanDerWaalsContact C-N 3.35Å; E743-L745 PolarHBondContact O-N 3.06Å; E743-E746 PolarHBondContact O-N 2.85Å; E743-R747 WeakPolarHBondContact O-CG 3.48Å; E743-R747 PolarHBondContact O-N 3.21Å; E743-R747 VanDerWaalsContact O-N 3.1Å; E743-R747 IonicContact OE1-CZ 3.29Å; E743-R747 IonicContact OE1-NE 3.69Å; E743-R747 IonicContact OE1-NH2 3.21Å; E743-R747 PolarHBondContact OE1-NH2 3.47Å |
| 744 | E | 78.4 | Confident | 78.2 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 42% | 0.416 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 174.8 | -162.8 | 171.4 | -139.4 | 0 | 0 | 112.1 | K433 Q740 Q741 Q742 R747 L748 | K433-E744 IonicContact NZ-OE2 3.45Å; K433-E744 PolarHBondContact NZ-OE2 3.09Å; Q740-E744 PolarHBondContact O-N 3.19Å; Q740-E744 VanDerWaalsContact O-N 3.13Å; Q741-E744 PolarHBondContact O-N 3.48Å; Q742-E744 VanDerWaalsContact C-N 3.33Å; E744-R747 PolarHBondContact O-N 2.99Å; E744-L748 WeakPolarHBondContact O-CG 3.16Å; E744-L748 PolarHBondContact O-N 3.46Å |
| 745 | L | 81.8 | Confident | 78.4 | Confident | 14 Ų | 14 | 80 Ų | 80 | 7% | 0.073 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 172.9 | -81.6 | 179.9 | 0 | 0 | 0 | 113.2 | L430 K433 Q434 V437 Q741 Q742 E743 L748 R749 | L430-L745 HydrophobicContact CD1-CD2 3.77Å; L430-L745 HydrophobicContact CG-CD2 4.47Å; K433-L745 HydrophobicContact CB-CD2 3.56Å; K433-L745 HydrophobicContact CB-CG 4.33Å; Q434-L745 HydrophobicContact CG-CD1 4.06Å; Q434-L745 HydrophobicContact CG-CD2 3.76Å; V437-L745 HydrophobicContact CB-CD1 3.96Å; V437-L745 HydrophobicContact CG1-CD1 4.17Å; V437-L745 HydrophobicContact CG2-CD1 3.59Å; V437-L745 HydrophobicContact CG2-CG 4.35Å; Q741-L745 WeakPolarHBondContact O-CG 3.17Å; Q741-L745 PolarHBondContact O-N 3.48Å; Q742-L745 WeakPolarHBondContact O-CB 3.35Å; Q742-L745 PolarHBondContact O-N 3.41Å; E743-L745 VanDerWaalsContact C-N 3.35Å; E743-L745 PolarHBondContact O-N 3.06Å; L745-L748 PolarHBondContact O-N 3.33Å; L745-R749 WeakPolarHBondContact O-CG 3.17Å; L745-R749 PolarHBondContact O-N 3.21Å |
| 746 | E | 80.4 | Confident | 78.8 | Confident | 111 Ų | 111 | 77.8 Ų | 77.8 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67 | -38.4 | 176 | -76.6 | -174.2 | 175.2 | 0 | 0 | 111.8 | Q742 E743 R749 K750 | Q742-E746 PolarHBondContact O-N 3.12Å; Q742-E746 VanDerWaalsContact O-N 3.1Å; E743-E746 PolarHBondContact O-N 2.85Å; E746-R749 PolarHBondContact O-N 3.24Å; E746-K750 PolarHBondContact O-N 3.15Å; E746-K750 VanDerWaalsContact O-N 3.1Å |
| 747 | R | 81.6 | Confident | 78.7 | Confident | 168 Ų | 168 | 80.7 Ų | 80.7 | 63% | 0.634 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 172.7 | -68.5 | 178.9 | -169.1 | -165.4 | 5.1 | 111.7 | E743 E744 R749 K750 A751 | E743-R747 WeakPolarHBondContact O-CG 3.48Å; E743-R747 PolarHBondContact O-N 3.21Å; E743-R747 VanDerWaalsContact O-N 3.1Å; E743-R747 IonicContact OE1-CZ 3.29Å; E743-R747 IonicContact OE1-NE 3.69Å; E743-R747 IonicContact OE1-NH2 3.21Å; E743-R747 PolarHBondContact OE1-NH2 3.47Å; E744-R747 PolarHBondContact O-N 2.99Å; R747-R749 VanDerWaalsContact C-N 3.33Å; R747-R749 PolarHBondContact O-N 3.24Å; R747-K750 PolarHBondContact O-N 2.68Å; R747-A751 PolarHBondContact O-N 3.12Å |
| 748 | L | 82.9 | Confident | 79.1 | Confident | 30 Ų | 30 | 80.8 Ų | 80.8 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.5 | -35.3 | 176.5 | -75.5 | 169.8 | 0 | 0 | 0 | 112.7 | E429 L430 K433 E744 L745 A751 I752 | E429-L748 HydrophobicContact CG-CD1 4.4Å; L430-L748 HydrophobicContact CD1-CB 3.84Å; K433-L748 HydrophobicContact CG-CD1 4.41Å; E744-L748 WeakPolarHBondContact O-CG 3.16Å; E744-L748 PolarHBondContact O-N 3.46Å; L745-L748 PolarHBondContact O-N 3.33Å; L748-A751 PolarHBondContact O-N 3.17Å; L748-I752 WeakPolarHBondContact O-CD1 2.78Å; L748-I752 VanDerWaalsContact O-CG1 3.31Å; L748-I752 WeakPolarHBondContact O-CG1 3.47Å; L748-I752 PolarHBondContact O-N 3.45Å; L748-I752 VanDerWaalsContact O-N 3.14Å |
| 749 | R | 82.8 | Confident | 79.3 | Confident | 142 Ų | 142 | 80.7 Ų | 80.7 | 54% | 0.536 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 174.7 | -77.1 | -179.6 | 177.8 | 170.7 | 1.9 | 112.3 | L430 L745 E746 R747 A751 I752 E753 | L430-R749 HydrophobicContact CD1-CG 3.69Å; L430-R749 HydrophobicContact CD2-CG 4.3Å; L745-R749 WeakPolarHBondContact O-CG 3.17Å; L745-R749 PolarHBondContact O-N 3.21Å; E746-R749 PolarHBondContact O-N 3.24Å; R747-R749 VanDerWaalsContact C-N 3.33Å; R747-R749 PolarHBondContact O-N 3.24Å; R749-A751 VanDerWaalsContact C-N 3.33Å; R749-A751 PolarHBondContact O-N 2.96Å; R749-I752 PolarHBondContact O-N 2.78Å; R749-E753 PolarHBondContact O-N 2.67Å; R749-E753 VanDerWaalsContact O-N 3.14Å |
| 750 | K | 80.2 | Confident | 79.6 | Confident | 137 Ų | 137 | 83.8 Ų | 83.8 | 60% | 0.596 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.1 | -42.7 | 175.9 | -74.1 | -176.4 | 176.1 | -178.8 | 0 | 111.8 | E746 R747 I752 E753 E754 | E746-K750 PolarHBondContact O-N 3.15Å; E746-K750 VanDerWaalsContact O-N 3.1Å; R747-K750 PolarHBondContact O-N 2.68Å; K750-I752 VanDerWaalsContact C-N 3.28Å; K750-I752 PolarHBondContact O-N 3.21Å; K750-E753 PolarHBondContact O-N 2.85Å; K750-E754 WeakPolarHBondContact O-CG 3.48Å; K750-E754 PolarHBondContact O-N 2.88Å |
| 751 | A | 80.8 | Confident | 79.8 | Confident | 37 Ų | 37 | 81.5 Ų | 81.5 | 31% | 0.306 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63 | -31.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R747 L748 R749 S755 | R747-A751 PolarHBondContact O-N 3.12Å; L748-A751 PolarHBondContact O-N 3.17Å; R749-A751 VanDerWaalsContact C-N 3.33Å; R749-A751 PolarHBondContact O-N 2.96Å; A751-S755 WeakPolarHBondContact O-CB 3.44Å; A751-S755 PolarHBondContact O-N 2.94Å; A751-S755 VanDerWaalsContact O-N 3.1Å; A751-S755 PolarHBondContact O-OG 3.47Å |
| 752 | I | 84.2 | Confident | 79.8 | Confident | 16 Ų | 16 | 80.7 Ų | 80.7 | 8% | 0.082 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.2 | -48 | 173.1 | -70.6 | 164 | 0 | 0 | 0 | 110.3 | L423 A426 Q427 L430 L748 R749 K750 E754 S755 E756 | L423-I752 HydrophobicContact CD1-CG2 3.82Å; A426-I752 HydrophobicContact CB-CD1 4.32Å; A426-I752 HydrophobicContact CB-CG1 3.66Å; Q427-I752 HydrophobicContact CG-CD1 3.91Å; Q427-I752 HydrophobicContact CG-CG1 4.18Å; Q427-I752 HydrophobicContact CG-CG2 4.19Å; L430-I752 HydrophobicContact CB-CD1 4.01Å; L430-I752 HydrophobicContact CD2-CD1 3.72Å; L430-I752 HydrophobicContact CG-CD1 4.3Å; L748-I752 WeakPolarHBondContact O-CD1 2.78Å; L748-I752 VanDerWaalsContact O-CG1 3.31Å; L748-I752 WeakPolarHBondContact O-CG1 3.47Å; L748-I752 PolarHBondContact O-N 3.45Å; L748-I752 VanDerWaalsContact O-N 3.14Å; R749-I752 PolarHBondContact O-N 2.78Å; K750-I752 VanDerWaalsContact C-N 3.28Å; K750-I752 PolarHBondContact O-N 3.21Å; I752-E754 VanDerWaalsContact C-N 3.33Å; I752-E754 PolarHBondContact O-N 3.45Å; I752-S755 PolarHBondContact O-N 2.93Å; I752-S755 VanDerWaalsContact O-N 3.09Å; I752-E756 HydrophobicContact CG2-CG 4.44Å; I752-E756 WeakPolarHBondContact O-CG 3.37Å; I752-E756 PolarHBondContact O-N 3.3Å |
| 753 | E | 80.8 | Confident | 79.7 | Confident | 137 Ų | 137 | 83 Ų | 83 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.2 | -43.8 | 179.6 | -168.6 | 171.6 | -165.9 | 0 | 0 | 111.7 | R749 K750 S755 E756 E757 | R749-E753 PolarHBondContact O-N 2.67Å; R749-E753 VanDerWaalsContact O-N 3.14Å; K750-E753 PolarHBondContact O-N 2.85Å; E753-S755 VanDerWaalsContact C-N 3.35Å; E753-S755 PolarHBondContact O-N 2.92Å; E753-E756 PolarHBondContact O-N 3.05Å; E753-E757 PolarHBondContact O-N 3.28Å; E753-E757 VanDerWaalsContact O-N 3.1Å |
| 754 | E | 79.9 | Confident | 79.5 | Confident | 130 Ų | 130 | 83.8 Ų | 83.8 | 61% | 0.607 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62 | -39.8 | 173.7 | -70.5 | 170 | -177.4 | 0 | 0 | 112.4 | K750 I752 T758 | K750-E754 WeakPolarHBondContact O-CG 3.48Å; K750-E754 PolarHBondContact O-N 2.88Å; I752-E754 VanDerWaalsContact C-N 3.33Å; I752-E754 PolarHBondContact O-N 3.45Å; E754-T758 WeakPolarHBondContact O-CB 3.35Å; E754-T758 PolarHBondContact O-N 3.09Å; E754-T758 VanDerWaalsContact O-N 3.08Å; E754-T758 PolarHBondContact O-OG1 2.68Å |
| 755 | S | 80.6 | Confident | 79.2 | Confident | 22 Ų | 22 | 83 Ų | 83 | 15% | 0.154 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.4 | -34.7 | 177.8 | -62.5 | 0 | 0 | 0 | 0 | 112.7 | A751 I752 E753 L759 | A751-S755 WeakPolarHBondContact O-CB 3.44Å; A751-S755 PolarHBondContact O-N 2.94Å; A751-S755 VanDerWaalsContact O-N 3.1Å; A751-S755 PolarHBondContact O-OG 3.47Å; I752-S755 PolarHBondContact O-N 2.93Å; I752-S755 VanDerWaalsContact O-N 3.09Å; E753-S755 VanDerWaalsContact C-N 3.35Å; E753-S755 PolarHBondContact O-N 2.92Å; S755-L759 WeakPolarHBondContact O-CB 3.28Å; S755-L759 PolarHBondContact O-N 3.1Å |
| 756 | E | 80.9 | Confident | 78.9 | Confident | 101 Ų | 101 | 85.7 Ų | 85.7 | 47% | 0.472 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 175.3 | -69.4 | -174.2 | 165.3 | 0 | 0 | 111.7 | L423 I752 E753 T758 L759 R760 | L423-E756 HydrophobicContact CD1-CB 4.39Å; L423-E756 HydrophobicContact CD1-CG 3.26Å; L423-E756 HydrophobicContact CD2-CG 4.33Å; L423-E756 HydrophobicContact CG-CG 4.42Å; I752-E756 HydrophobicContact CG2-CG 4.44Å; I752-E756 WeakPolarHBondContact O-CG 3.37Å; I752-E756 PolarHBondContact O-N 3.3Å; E753-E756 PolarHBondContact O-N 3.05Å; E756-T758 VanDerWaalsContact C-N 3.35Å; E756-L759 WeakPolarHBondContact O-CB 3.18Å; E756-L759 PolarHBondContact O-N 2.94Å; E756-R760 PolarHBondContact O-N 2.74Å |
| 757 | E | 78.2 | Confident | 78.5 | Confident | 81 Ų | 81 | 87.2 Ų | 87.2 | 38% | 0.379 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 177.7 | -172.6 | 61.6 | -170.4 | 0 | 0 | 111.2 | E753 L759 R760 V761 | E753-E757 PolarHBondContact O-N 3.28Å; E753-E757 VanDerWaalsContact O-N 3.1Å; E757-L759 PolarHBondContact O-N 2.81Å; E757-R760 WeakPolarHBondContact O-CB 3.33Å; E757-R760 PolarHBondContact O-N 3.18Å; E757-R760 VanDerWaalsContact O-N 3.1Å; E757-R760 IonicContact OE1-CZ 3.09Å; E757-R760 IonicContact OE1-NE 3.85Å; E757-R760 IonicContact OE1-NH1 3.23Å; E757-R760 PolarHBondContact OE1-NH1 3.43Å; E757-R760 IonicContact OE1-NH2 2.78Å; E757-R760 PolarHBondContact OE1-NH2 2.69Å; E757-R760 IonicContact OE2-CZ 3.23Å; E757-R760 VanDerWaalsContact OE2-CZ 3.23Å; E757-R760 IonicContact OE2-NE 3.82Å; E757-R760 IonicContact OE2-NH1 2.71Å; E757-R760 PolarHBondContact OE2-NH1 3.36Å; E757-R760 IonicContact OE2-NH2 3.73Å; E757-V761 WeakPolarHBondContact O-CG2 3.33Å; E757-V761 PolarHBondContact O-N 3.47Å |
| 758 | T | 77.8 | Confident | 77.9 | Confident | 73 Ų | 73 | 85.8 Ų | 85.8 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.9 | -37 | 174.9 | -55.3 | 0 | 0 | 0 | 0 | 112 | A419 E754 E756 T762 | A419-T758 HydrophobicContact CB-CG2 4.42Å; E754-T758 WeakPolarHBondContact O-CB 3.35Å; E754-T758 PolarHBondContact O-N 3.09Å; E754-T758 VanDerWaalsContact O-N 3.08Å; E754-T758 PolarHBondContact O-OG1 2.68Å; E756-T758 VanDerWaalsContact C-N 3.35Å; T758-T762 WeakPolarHBondContact O-CB 3.45Å; T758-T762 WeakPolarHBondContact O-CG2 3.4Å; T758-T762 PolarHBondContact O-N 3.05Å; T758-T762 VanDerWaalsContact O-N 3.11Å; T758-T762 PolarHBondContact O-OG1 3.22Å |
| 759 | L | 80.3 | Confident | 77 | Confident | 15 Ų | 15 | 84.8 Ų | 84.8 | 8% | 0.079 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.1 | -29.8 | 178.1 | -145.2 | 148.5 | 0 | 0 | 0 | 112.8 | A419 Q420 S755 E756 E757 T762 K763 | A419-L759 HydrophobicContact CB-CD1 4.22Å; A419-L759 HydrophobicContact CB-CG 4.44Å; Q420-L759 VanDerWaalsContact CA-CD1 3.49Å; Q420-L759 HydrophobicContact CB-CD1 3.7Å; Q420-L759 HydrophobicContact CG-CD1 4.17Å; S755-L759 WeakPolarHBondContact O-CB 3.28Å; S755-L759 PolarHBondContact O-N 3.1Å; E756-L759 WeakPolarHBondContact O-CB 3.18Å; E756-L759 PolarHBondContact O-N 2.94Å; E757-L759 PolarHBondContact O-N 2.81Å; L759-T762 WeakPolarHBondContact CA-OG1 3.38Å; L759-T762 PolarHBondContact O-OG1 3.39Å; L759-K763 HydrophobicContact CD2-CD 4.39Å; L759-K763 WeakPolarHBondContact O-CG 3.37Å |
| 760 | R | 78.4 | Confident | 76.4 | Confident | 141 Ų | 141 | 83 Ų | 83 | 53% | 0.532 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.4 | -49.3 | 172.9 | -161.5 | -176.3 | 87.7 | -149.7 | 0 | 110.9 | E756 E757 K763 E764 | E756-R760 PolarHBondContact O-N 2.74Å; E757-R760 WeakPolarHBondContact O-CB 3.33Å; E757-R760 PolarHBondContact O-N 3.18Å; E757-R760 VanDerWaalsContact O-N 3.1Å; E757-R760 IonicContact OE1-CZ 3.09Å; E757-R760 IonicContact OE1-NE 3.85Å; E757-R760 IonicContact OE1-NH1 3.23Å; E757-R760 PolarHBondContact OE1-NH1 3.43Å; E757-R760 IonicContact OE1-NH2 2.78Å; E757-R760 PolarHBondContact OE1-NH2 2.69Å; E757-R760 IonicContact OE2-CZ 3.23Å; E757-R760 VanDerWaalsContact OE2-CZ 3.23Å; E757-R760 IonicContact OE2-NE 3.82Å; E757-R760 IonicContact OE2-NH1 2.71Å; E757-R760 PolarHBondContact OE2-NH1 3.36Å; E757-R760 IonicContact OE2-NH2 3.73Å; R760-K763 PolarHBondContact O-N 3.46Å; R760-E764 PolarHBondContact O-N 2.74Å |
| 761 | V | 76.9 | Confident | 75.7 | Confident | 69 Ų | 69 | 82.6 Ų | 82.6 | 42% | 0.418 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | -177.9 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | E757 K763 E764 V765 | E757-V761 WeakPolarHBondContact O-CG2 3.33Å; E757-V761 PolarHBondContact O-N 3.47Å; V761-K763 VanDerWaalsContact C-N 3.3Å; V761-K763 PolarHBondContact O-N 3.42Å; V761-E764 PolarHBondContact O-N 3.37Å; V761-E764 VanDerWaalsContact O-N 3.14Å; V761-V765 WeakPolarHBondContact O-CG2 3.32Å; V761-V765 PolarHBondContact O-N 2.95Å; V761-V765 VanDerWaalsContact O-N 3.09Å |
| 762 | T | 75.4 | Confident | 74.7 | Confident | 12 Ų | 12 | 87.5 Ų | 87.5 | 7% | 0.074 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.5 | -32.5 | 179.1 | 42.2 | 0 | 0 | 0 | 0 | 113.4 | E415 T758 L759 V765 K766 | E415-T762 HydrophobicContact CB-CG2 4.07Å; T758-T762 WeakPolarHBondContact O-CB 3.45Å; T758-T762 WeakPolarHBondContact O-CG2 3.4Å; T758-T762 PolarHBondContact O-N 3.05Å; T758-T762 VanDerWaalsContact O-N 3.11Å; T758-T762 PolarHBondContact O-OG1 3.22Å; L759-T762 WeakPolarHBondContact CA-OG1 3.38Å; L759-T762 PolarHBondContact O-OG1 3.39Å; T762-V765 PolarHBondContact O-N 3.02Å; T762-K766 PolarHBondContact O-N 3.39Å |
| 763 | K | 75.2 | Confident | 73.7 | Confident | 125 Ų | 125 | 89.6 Ų | 89.6 | 54% | 0.543 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.5 | -36.3 | 173.8 | -78.6 | 177.1 | 178.6 | 171.5 | 0 | 113.2 | L759 R760 V761 K767 | L759-K763 HydrophobicContact CD2-CD 4.39Å; L759-K763 WeakPolarHBondContact O-CG 3.37Å; R760-K763 PolarHBondContact O-N 3.46Å; V761-K763 VanDerWaalsContact C-N 3.3Å; V761-K763 PolarHBondContact O-N 3.42Å; K763-K767 PolarHBondContact O-N 2.95Å |
| 764 | E | 71.7 | Confident | 72.7 | Confident | 109 Ų | 109 | 90.5 Ų | 90.5 | 51% | 0.509 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.9 | -37.9 | 175.8 | -72.5 | -173.1 | 163.2 | 0 | 0 | 112.2 | R760 V761 K766 K767 K768 | R760-E764 PolarHBondContact O-N 2.74Å; V761-E764 PolarHBondContact O-N 3.37Å; V761-E764 VanDerWaalsContact O-N 3.14Å; E764-K766 VanDerWaalsContact C-N 3.35Å; E764-K766 PolarHBondContact O-N 2.89Å; E764-K767 PolarHBondContact O-N 2.96Å; E764-K768 PolarHBondContact O-N 3.48Å |
| 765 | V | 72.3 | Confident | 71.7 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 45% | 0.448 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | V761 T762 K767 K768 A769 | V761-V765 WeakPolarHBondContact O-CG2 3.32Å; V761-V765 PolarHBondContact O-N 2.95Å; V761-V765 VanDerWaalsContact O-N 3.09Å; T762-V765 PolarHBondContact O-N 3.02Å; V765-K767 VanDerWaalsContact C-N 3.32Å; V765-K767 PolarHBondContact O-N 3.25Å; V765-K768 PolarHBondContact O-N 3.12Å; V765-A769 PolarHBondContact O-N 3.03Å; V765-A769 VanDerWaalsContact O-N 3.14Å |
| 766 | K | 75.4 | Confident | 70.4 | Confident | 70 Ų | 70 | 88.8 Ų | 88.8 | 30% | 0.304 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58 | -42 | 176.9 | -173.7 | 178.6 | -179.9 | 178.8 | 0 | 112.7 | M409 A412 D413 T762 E764 A769 E770 | M409-K766 HydrophobicContact CG-CG 4.46Å; A412-K766 HydrophobicContact CB-CB 4.15Å; D413-K766 IonicContact OD1-NZ 2.73Å; D413-K766 PolarHBondContact OD1-NZ 3.24Å; T762-K766 PolarHBondContact O-N 3.39Å; E764-K766 VanDerWaalsContact C-N 3.35Å; E764-K766 PolarHBondContact O-N 2.89Å; K766-A769 PolarHBondContact O-N 3.5Å; K766-E770 PolarHBondContact O-N 3.34Å |
| 767 | K | 72.2 | Confident | 69.1 | Low | 142 Ų | 142 | 89.9 Ų | 89.9 | 62% | 0.617 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.2 | -39.3 | -179 | -166.1 | 179.5 | 179.2 | -174.7 | 0 | 112.2 | K763 E764 V765 E770 | K763-K767 PolarHBondContact O-N 2.95Å; E764-K767 PolarHBondContact O-N 2.96Å; V765-K767 VanDerWaalsContact C-N 3.32Å; V765-K767 PolarHBondContact O-N 3.25Å; K767-E770 PolarHBondContact O-N 3.03Å |
| 768 | K | 68.1 | Low | 67.9 | Low | 138 Ų | 138 | 92.6 Ų | 92.6 | 60% | 0.6 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.4 | -33.8 | 178.2 | -69.7 | 178.4 | 179.2 | 174.4 | 0 | 112.9 | E764 V765 | E764-K768 PolarHBondContact O-N 3.48Å; V765-K768 PolarHBondContact O-N 3.12Å |
| 769 | A | 65.1 | Low | 66.5 | Low | 10 Ų | 10 | 95.9 Ų | 95.9 | 8% | 0.083 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.4 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D408 M409 V765 K766 K772 Y773 | D408-A769 HydrophobicContact CB-CB 4.47Å; M409-A769 HydrophobicContact CG-CB 3.81Å; V765-A769 PolarHBondContact O-N 3.03Å; V765-A769 VanDerWaalsContact O-N 3.14Å; K766-A769 PolarHBondContact O-N 3.5Å; A769-K772 PolarHBondContact O-N 2.83Å; A769-Y773 PolarHBondContact O-N 3.18Å |
| 770 | E | 69.3 | Low | 64.8 | Low | 104 Ų | 104 | 99.9 Ų | 99.9 | 49% | 0.486 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.9 | -32.8 | -178.5 | -157 | 164.6 | -137.1 | 0 | 0 | 112.9 | M409 K766 K767 | M409-E770 HydrophobicContact CE-CB 3.94Å; M409-E770 VanDerWaalsContact CE-CD 3.48Å; M409-E770 HydrophobicContact CE-CG 3.5Å; M409-E770 VanDerWaalsContact CE-CG 3.5Å; M409-E770 WeakPolarHBondContact CE-OE1 3.39Å; M409-E770 HydrophobicContact SD-CB 3.92Å; M409-E770 HydrophobicContact SD-CG 3.96Å; K766-E770 PolarHBondContact O-N 3.34Å; K767-E770 PolarHBondContact O-N 3.03Å |
| 771 | E | 66.1 | Low | 63.4 | Low | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -71.8 | -38.2 | 174.7 | -72.9 | 174.5 | 172.6 | 0 | 0 | 112.4 | ||
| 772 | K | 60.7 | Low | 62.1 | Low | 140 Ų | 140 | 106.5 Ų | 106.5 | 61% | 0.609 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.3 | -38.5 | 177.6 | -72.2 | -175.3 | 177.2 | -171.7 | 0 | 112.3 | A769 K774 V775 L776 | A769-K772 PolarHBondContact O-N 2.83Å; K772-K774 VanDerWaalsContact C-N 3.26Å; K772-K774 PolarHBondContact O-N 3.48Å; K772-V775 PolarHBondContact O-N 3.48Å; K772-V775 VanDerWaalsContact O-N 3.11Å; K772-L776 VanDerWaalsContact O-CD1 3.29Å; K772-L776 WeakPolarHBondContact O-CD1 3.25Å; K772-L776 WeakPolarHBondContact O-CG 3.47Å |
| 773 | Y | 63.4 | Low | 60.5 | Low | 60 Ų | 60 | 109.2 Ų | 109.2 | 24% | 0.235 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -53.7 | -38 | 180 | -174.2 | -89 | 0 | 0 | 0 | 113.6 | M402 C405 K406 A769 V775 L776 | M402-Y773 HydrophobicContact CB-CD2 4.09Å; M402-Y773 HydrophobicContact CB-CE2 3.72Å; M402-Y773 HydrophobicContact CE-CE1 3.77Å; M402-Y773 HydrophobicContact CE-CE2 4.07Å; M402-Y773 VanDerWaalsContact CE-CZ 3.47Å; M402-Y773 WeakPolarHBondContact CE-OH 3.32Å; M402-Y773 HydrophobicContact CG-CD2 4.41Å; M402-Y773 HydrophobicContact CG-CE2 4.25Å; M402-Y773 WeakPolarHBondContact O-CD2 3.41Å; M402-Y773 WeakPolarHBondContact O-CE2 3.35Å; C405-Y773 HydrophobicContact CB-CD2 3.96Å; C405-Y773 HydrophobicContact CB-CG 4.44Å; K406-Y773 HydrophobicContact CB-CD2 4.23Å; K406-Y773 HydrophobicContact CB-CE2 3.91Å; K406-Y773 HydrophobicContact CD-CE2 4.15Å; K406-Y773 HydrophobicContact CG-CE2 4.45Å; A769-Y773 PolarHBondContact O-N 3.18Å; Y773-V775 PolarHBondContact O-N 3.34Å; Y773-L776 PolarHBondContact O-N 3.46Å |
| 774 | K | 59.6 | Low | 59 | Low | 156 Ų | 156 | 111.6 Ų | 111.6 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.2 | -27.5 | -179 | -75.1 | -178 | 177.7 | 176.2 | 0 | 114.3 | K772 L776 | K772-K774 VanDerWaalsContact C-N 3.26Å; K772-K774 PolarHBondContact O-N 3.48Å; K774-L776 VanDerWaalsContact C-N 3.32Å |
| 775 | V | 58.9 | Low | 57.7 | Low | 94 Ų | 94 | 111.3 Ų | 111.3 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -77.6 | -27.2 | -178.2 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | K772 Y773 | K772-V775 PolarHBondContact O-N 3.48Å; K772-V775 VanDerWaalsContact O-N 3.11Å; Y773-V775 PolarHBondContact O-N 3.34Å |
| 776 | L | 52.8 | Low | 56.6 | Low | 22 Ų | 22 | 115.4 Ų | 115.4 | 12% | 0.115 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -85.3 | -23.4 | -170.7 | -66.7 | 163.9 | 0 | 0 | 0 | 113.4 | L398 Q401 M402 K772 Y773 K774 N778 | L398-L776 HydrophobicContact CD2-CB 4.36Å; L398-L776 HydrophobicContact CD2-CD2 3.8Å; L398-L776 VanDerWaalsContact CD2-O 3.22Å; L398-L776 WeakPolarHBondContact CD2-O 3.47Å; Q401-L776 HydrophobicContact CB-CB 4.26Å; Q401-L776 HydrophobicContact CB-CD1 3.41Å; Q401-L776 VanDerWaalsContact CB-CD1 3.41Å; Q401-L776 HydrophobicContact CB-CD2 3.45Å; Q401-L776 VanDerWaalsContact CB-CD2 3.45Å; Q401-L776 HydrophobicContact CB-CG 3.87Å; Q401-L776 HydrophobicContact CG-CD2 4.03Å; M402-L776 HydrophobicContact CG-CB 3.67Å; K772-L776 VanDerWaalsContact O-CD1 3.29Å; K772-L776 WeakPolarHBondContact O-CD1 3.25Å; K772-L776 WeakPolarHBondContact O-CG 3.47Å; Y773-L776 PolarHBondContact O-N 3.46Å; K774-L776 VanDerWaalsContact C-N 3.32Å; L776-N778 PolarHBondContact O-N 3.37Å |
| 777 | E | 53.7 | Low | 55.4 | Low | 123 Ų | 123 | 116.2 Ų | 116.2 | 58% | 0.575 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -25.8 | 176.2 | -167.8 | 169.9 | -144 | 0 | 0 | 113.7 | M402 | M402-E777 HydrophobicContact CE-CB 3.94Å; M402-E777 HydrophobicContact CE-CG 3.93Å; M402-E777 WeakPolarHBondContact SD-CA 3.49Å; M402-E777 HydrophobicContact SD-CB 3.84Å; M402-E777 HydrophobicContact SD-CG 4.21Å |
| 778 | N | 53.3 | Low | 54.3 | Low | 139 Ų | 139 | 117.5 Ų | 117.5 | 74% | 0.743 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -23.2 | -171.7 | -79.6 | -34.9 | 0 | 0 | 0 | 116 | L776 | L776-N778 PolarHBondContact O-N 3.37Š|
| 779 | K | 47.8 | Very low | 53.7 | Low | 141 Ų | 141 | 120 Ų | 120 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -104.1 | 5.1 | -170.1 | -44.5 | 169.3 | 170.9 | 177.9 | 0 | 114.1 | L398 K781 | L398-K779 HydrophobicContact CD1-CB 3.29Å; L398-K779 HydrophobicContact CD1-CD 4.29Å; L398-K779 HydrophobicContact CD1-CG 4.41Å; L398-K779 WeakPolarHBondContact CD1-O 3.33Å; L398-K779 HydrophobicContact CD2-CB 3.45Å; L398-K779 VanDerWaalsContact CD2-CB 3.45Å; L398-K779 HydrophobicContact CD2-CD 3.86Å; L398-K779 HydrophobicContact CD2-CG 3.94Å; L398-K779 HydrophobicContact CG-CB 3.79Å; K779-K781 VanDerWaalsContact C-N 3.33Å; K779-K781 PolarHBondContact O-N 2.82Å |
| 780 | M | 45 | Very low | 53.4 | Low | 99 Ų | 99 | 123.6 Ų | 123.6 | 49% | 0.488 | 61% | 0.606 | S | S | . | * | trans | -76.2 | 24.1 | -167.2 | -132.5 | -163.9 | 93.2 | 0 | 0 | 118.7 | L398 A399 M402 | L398-M780 VanDerWaalsContact C-CG 3.48Å; L398-M780 HydrophobicContact CB-CB 4Å; L398-M780 HydrophobicContact CB-CG 3.66Å; A399-M780 WeakPolarHBondContact CA-SD 3.43Å; A399-M780 HydrophobicContact CB-CE 3.49Å; A399-M780 VanDerWaalsContact CB-CE 3.49Å; A399-M780 HydrophobicContact CB-CG 3.85Å; A399-M780 HydrophobicContact CB-SD 3.27Å; A399-M780 WeakPolarHBondContact CB-SD 3.39Å; M402-M780 HydrophobicContact SD-SD 4.45Å | ||
| 781 | K | 49 | Very low | 52.8 | Low | 187 Ų | 187 | 121.4 Ų | 121.4 | 81% | 0.813 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -93.4 | -16 | -163.3 | -91.5 | -176.9 | 178.4 | 177.3 | 0 | 119.4 | K779 | K779-K781 VanDerWaalsContact C-N 3.33Å; K779-K781 PolarHBondContact O-N 2.82Å |
| 782 | N | 48.3 | Very low | 52.6 | Low | 163 Ų | 163 | 123.4 Ų | 123.4 | 87% | 0.872 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -163.9 | 82.1 | -172.2 | -81.1 | -39.7 | 0 | 0 | 0 | 116.8 | ||
| 783 | A | 42 | Very low | 52.8 | Low | 69 Ų | 69 | 119.3 Ų | 119.3 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | trans | -171.1 | 94.4 | 163 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 784 | E | 43.5 | Very low | 53 | Low | 174 Ų | 174 | 116.5 Ų | 116.5 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | trans | -120.9 | -10 | 178 | -105.8 | 178.5 | 171.8 | 0 | 0 | 115 | ||||
| 785 | A | 45.9 | Very low | 53.5 | Low | 104 Ų | 104 | 112.4 Ų | 112.4 | 86% | 0.86 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -95 | -13.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 786 | E | 48.5 | Very low | 54.3 | Low | 160 Ų | 160 | 114.9 Ų | 114.9 | 75% | 0.748 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -88.1 | -13 | 177.7 | -79.6 | -174.9 | 145.3 | 0 | 0 | 113.9 | E788 | E786-E788 PolarHBondContact O-N 3.35Š|
| 787 | R | 50.3 | Low | 55.4 | Low | 86 Ų | 86 | 119.7 Ų | 119.7 | 33% | 0.325 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.6 | -31.4 | -163.6 | -156.5 | 171.3 | 166.6 | 124.1 | -1.4 | 116.1 | A385 G386 T397 | A385-R787 PolarHBondContact O-NH1 3.3Å; A385-R787 PolarHBondContact O-NH2 3.19Å; G386-R787 VanDerWaalsContact CA-NE 3.33Å; G386-R787 PolarHBondContact O-NH1 3.38Å; T397-R787 PolarHBondContact OG1-NH1 2.95Å |
| 788 | E | 49 | Very low | 56.5 | Low | 170 Ų | 170 | 114.9 Ų | 114.9 | 79% | 0.794 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -87.2 | -18.1 | -164.1 | -151.7 | 175.3 | -179.1 | 0 | 0 | 113.2 | E786 | E786-E788 PolarHBondContact O-N 3.35Å |
| 789 | K | 55.5 | Low | 57.6 | Low | 190 Ų | 190 | 112.8 Ų | 112.8 | 83% | 0.826 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -86.7 | -36.3 | -175.6 | -123 | 178 | -178.1 | 179.2 | 0 | 113.3 | L791 | K789-L791 VanDerWaalsContact C-N 3.34Å |
| 790 | E | 58.3 | Low | 59.1 | Low | 85 Ų | 85 | 110 Ų | 110 | 40% | 0.397 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.2 | -28.7 | -179 | -69.2 | -179.8 | 150.1 | 0 | 0 | 112.2 | V383 K792 A793 A794 | V383-E790 HydrophobicContact CB-CB 4.5Å; V383-E790 HydrophobicContact CG1-CB 3.27Å; V383-E790 WeakPolarHBondContact CG1-O 3.48Å; V383-E790 HydrophobicContact CG2-CB 4.37Å; E790-K792 VanDerWaalsContact C-N 3.26Å; E790-K792 PolarHBondContact O-N 2.77Å; E790-A793 PolarHBondContact O-N 2.85Å; E790-A794 PolarHBondContact O-N 2.63Å; E790-A794 VanDerWaalsContact O-N 3.15Å |
| 791 | L | 57.2 | Low | 60.8 | Low | 59 Ų | 59 | 106 Ų | 106 | 31% | 0.309 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.3 | -34.6 | -172.6 | -133.5 | 160 | 0 | 0 | 0 | 112.9 | F380 V383 K789 | F380-L791 HydrophobicContact CE2-CD2 4.48Å; V383-L791 VanDerWaalsContact CG1-CA 3.4Å; V383-L791 HydrophobicContact CG1-CB 4.15Å; V383-L791 HydrophobicContact CG1-CG 4.29Å; K789-L791 VanDerWaalsContact C-N 3.34Å |
| 792 | K | 62.3 | Low | 62.2 | Low | 170 Ų | 170 | 102.1 Ų | 102.1 | 74% | 0.739 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.6 | -37 | 175.8 | -72.8 | -176.8 | 178.6 | 176.2 | 0 | 112.7 | E790 A794 | E790-K792 VanDerWaalsContact C-N 3.26Å; E790-K792 PolarHBondContact O-N 2.77Å; K792-A794 VanDerWaalsContact C-N 3.35Å; K792-A794 PolarHBondContact O-N 3.39Å |
| 793 | A | 65.6 | Low | 63.7 | Low | 54 Ų | 54 | 97.4 Ų | 97.4 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70 | -32.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E790 | E790-A793 PolarHBondContact O-N 2.85Å |
| 794 | A | 66.5 | Low | 65.4 | Low | 1 Ų | 1 | 100.2 Ų | 100.2 | 1% | 0.008 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -73.9 | -32.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H379 F380 V383 E790 K792 L798 | H379-A794 WeakPolarHBondContact ND1-CB 3.35Å; F380-A794 HydrophobicContact CB-CB 4.36Å; F380-A794 HydrophobicContact CD2-CB 4.1Å; V383-A794 HydrophobicContact CB-CB 4.01Å; V383-A794 HydrophobicContact CG1-CB 4.42Å; V383-A794 HydrophobicContact CG2-CB 4.13Å; E790-A794 PolarHBondContact O-N 2.63Å; E790-A794 VanDerWaalsContact O-N 3.15Å; K792-A794 VanDerWaalsContact C-N 3.35Å; K792-A794 PolarHBondContact O-N 3.39Å; A794-L798 PolarHBondContact O-N 3.23Å |
| 795 | Q | 71.2 | Confident | 67.1 | Low | 71 Ų | 71 | 92.4 Ų | 92.4 | 33% | 0.332 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 179.5 | -176.8 | 61.7 | 81 | 0 | 0 | 112.8 | F380 N799 | F380-Q795 HydrophobicContact CD2-CB 3.98Å; F380-Q795 HydrophobicContact CE2-CB 3.64Å; F380-Q795 HydrophobicContact CE2-CG 4.11Å; Q795-N799 PolarHBondContact NE2-OD1 3.06Å; Q795-N799 PolarHBondContact O-N 3.48Å |
| 796 | E | 74 | Confident | 68.6 | Low | 145 Ų | 145 | 92.3 Ų | 92.3 | 68% | 0.678 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.4 | -42.1 | 178.8 | -71.8 | -176.3 | 163.7 | 0 | 0 | 111.5 | L798 N799 T800 | E796-L798 VanDerWaalsContact C-N 3.34Å; E796-L798 PolarHBondContact O-N 3.23Å; E796-N799 PolarHBondContact O-N 3.43Å; E796-T800 WeakPolarHBondContact O-CG2 3.34Å; E796-T800 PolarHBondContact O-N 2.86Å; E796-T800 PolarHBondContact O-OG1 3.28Å |
| 797 | K | 75.9 | Confident | 70.1 | Confident | 124 Ų | 124 | 87.2 Ų | 87.2 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 175.9 | -74.7 | -178.2 | -179.9 | 175.9 | 0 | 112.2 | N799 T800 A801 | K797-N799 PolarHBondContact O-N 3.38Å; K797-T800 PolarHBondContact O-N 3.44Å; K797-T800 PolarHBondContact O-OG1 2.76Å; K797-A801 PolarHBondContact O-N 3.07Å |
| 798 | L | 78.1 | Confident | 71.6 | Confident | 22 Ų | 22 | 84.4 Ų | 84.4 | 12% | 0.115 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.3 | -49.4 | 177.5 | 178.1 | 68.8 | 0 | 0 | 0 | 112.6 | E377 F380 A794 E796 T800 A801 K802 | E377-L798 HydrophobicContact CB-CD1 4.12Å; E377-L798 HydrophobicContact CG-CD1 3.29Å; F380-L798 HydrophobicContact CB-CB 4.34Å; F380-L798 HydrophobicContact CB-CD2 4.31Å; F380-L798 HydrophobicContact CD1-CD2 3.75Å; F380-L798 HydrophobicContact CE1-CD2 4.3Å; F380-L798 HydrophobicContact CG-CD2 4Å; A794-L798 PolarHBondContact O-N 3.23Å; E796-L798 VanDerWaalsContact C-N 3.34Å; E796-L798 PolarHBondContact O-N 3.23Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 3.28Å; L798-A801 PolarHBondContact O-N 3.42Å; L798-K802 PolarHBondContact O-N 3.15Å |
| 799 | N | 76.5 | Confident | 73 | Confident | 94 Ų | 94 | 80.7 Ų | 80.7 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.1 | -36.7 | -177.7 | -70.5 | -17.4 | 0 | 0 | 0 | 111.4 | Q795 E796 K797 A803 | Q795-N799 PolarHBondContact NE2-OD1 3.06Å; Q795-N799 PolarHBondContact O-N 3.48Å; E796-N799 PolarHBondContact O-N 3.43Å; K797-N799 PolarHBondContact O-N 3.38Å; N799-A803 PolarHBondContact O-N 3.26Å |
| 800 | T | 78.8 | Confident | 74.2 | Confident | 84 Ų | 84 | 79.6 Ų | 79.6 | 52% | 0.515 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 176.1 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | E796 K797 L798 K804 | E796-T800 WeakPolarHBondContact O-CG2 3.34Å; E796-T800 PolarHBondContact O-N 2.86Å; E796-T800 PolarHBondContact O-OG1 3.28Å; K797-T800 PolarHBondContact O-N 3.44Å; K797-T800 PolarHBondContact O-OG1 2.76Å; L798-T800 VanDerWaalsContact C-N 3.28Å; L798-T800 PolarHBondContact O-N 3.28Å; T800-K804 WeakPolarHBondContact O-CG 3.38Å; T800-K804 PolarHBondContact O-N 3.32Å |
| 801 | A | 80.1 | Confident | 75.3 | Confident | 13 Ų | 13 | 82 Ų | 82 | 11% | 0.107 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L373 A376 K797 L798 K804 A805 | L373-A801 HydrophobicContact CB-CB 4.41Å; L373-A801 HydrophobicContact CD1-CB 3.98Å; A376-A801 HydrophobicContact CB-CB 3.99Å; K797-A801 PolarHBondContact O-N 3.07Å; L798-A801 PolarHBondContact O-N 3.42Å; A801-K804 PolarHBondContact O-N 2.85Å; A801-A805 PolarHBondContact O-N 2.72Å; A801-A805 VanDerWaalsContact O-N 3.08Å |
| 802 | K | 78.6 | Confident | 76.5 | Confident | 107 Ų | 107 | 81 Ų | 81 | 47% | 0.465 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | -179.7 | -158.4 | 170.2 | -173.3 | 169.2 | 0 | 112.4 | L373 L798 K804 A805 D806 | L373-K802 HydrophobicContact CD1-CB 3.84Å; L373-K802 HydrophobicContact CD1-CG 4.21Å; L798-K802 PolarHBondContact O-N 3.15Å; K802-K804 VanDerWaalsContact C-N 3.27Å; K802-K804 PolarHBondContact O-N 3.29Å; K802-A805 PolarHBondContact O-N 2.9Å; K802-D806 PolarHBondContact O-N 3.07Å; K802-D806 VanDerWaalsContact O-N 3.1Å |
| 803 | A | 79.5 | Confident | 77.4 | Confident | 63 Ų | 63 | 79.9 Ų | 79.9 | 52% | 0.521 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.8 | -33.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N799 A807 | N799-A803 PolarHBondContact O-N 3.26Å; A803-A807 WeakPolarHBondContact O-CB 3.33Å; A803-A807 PolarHBondContact O-N 3.24Å |
| 804 | K | 78.6 | Confident | 78.2 | Confident | 128 Ų | 128 | 82.6 Ų | 82.6 | 56% | 0.557 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -70.4 | -43.3 | 176.1 | -72.5 | 178.7 | 178.4 | -175.8 | 0 | 112.3 | T800 A801 K802 A807 F808 | T800-K804 WeakPolarHBondContact O-CG 3.38Å; T800-K804 PolarHBondContact O-N 3.32Å; A801-K804 PolarHBondContact O-N 2.85Å; K802-K804 VanDerWaalsContact C-N 3.27Å; K802-K804 PolarHBondContact O-N 3.29Å; K804-A807 PolarHBondContact O-N 3.39Å; K804-F808 WeakPolarHBondContact O-CB 3.44Å; K804-F808 PolarHBondContact O-N 2.9Å |
| 805 | A | 78.2 | Confident | 78.9 | Confident | 10 Ų | 10 | 85.5 Ų | 85.5 | 8% | 0.083 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L373 A801 K802 F808 N809 | L373-A805 HydrophobicContact CD2-CB 3.81Å; A801-A805 PolarHBondContact O-N 2.72Å; A801-A805 VanDerWaalsContact O-N 3.08Å; K802-A805 PolarHBondContact O-N 2.9Å; A805-F808 WeakPolarHBondContact O-CB 3.47Å; A805-F808 PolarHBondContact O-N 3.2Å; A805-N809 PolarHBondContact O-N 3.48Å |
| 806 | D | 77.8 | Confident | 79.3 | Confident | 103 Ų | 103 | 85.8 Ų | 85.8 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.4 | -39.1 | 175.6 | -75.7 | -25.3 | 0 | 0 | 0 | 112 | K802 F808 K810 | K802-D806 PolarHBondContact O-N 3.07Å; K802-D806 VanDerWaalsContact O-N 3.1Å; D806-F808 VanDerWaalsContact C-N 3.32Å; D806-F808 PolarHBondContact O-N 2.73Å; D806-K810 PolarHBondContact O-N 3.37Å |
| 807 | A | 79.9 | Confident | 79.8 | Confident | 52 Ų | 52 | 84.9 Ų | 84.9 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | A803 K804 K811 | A803-A807 WeakPolarHBondContact O-CB 3.33Å; A803-A807 PolarHBondContact O-N 3.24Å; K804-A807 PolarHBondContact O-N 3.39Å; A807-K811 PolarHBondContact O-N 3.1Å |
| 808 | F | 82.3 | Confident | 80.2 | Confident | 28 Ų | 28 | 82.2 Ų | 82.2 | 12% | 0.123 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.3 | -52.5 | 174.4 | 165.2 | -100.6 | 0 | 0 | 0 | 112.3 | V362 K804 A805 D806 K810 K811 L812 | V362-F808 HydrophobicContact CG1-CD2 4.17Å; V362-F808 HydrophobicContact CG1-CE2 3.49Å; V362-F808 VanDerWaalsContact CG1-CE2 3.49Å; V362-F808 HydrophobicContact CG1-CZ 4.37Å; V362-F808 WeakPolarHBondContact O-CE2 3.46Å; K804-F808 WeakPolarHBondContact O-CB 3.44Å; K804-F808 PolarHBondContact O-N 2.9Å; A805-F808 WeakPolarHBondContact O-CB 3.47Å; A805-F808 PolarHBondContact O-N 3.2Å; D806-F808 VanDerWaalsContact C-N 3.32Å; D806-F808 PolarHBondContact O-N 2.73Å; F808-K810 PolarHBondContact O-N 2.74Å; F808-K811 WeakPolarHBondContact O-CA 3.42Å; F808-K811 WeakPolarHBondContact O-CB 3.43Å; F808-K811 PolarHBondContact O-N 3.48Å; F808-L812 HydrophobicContact CE1-CD2 4.41Å; F808-L812 HydrophobicContact CE2-CB 4.42Å; F808-L812 HydrophobicContact CZ-CB 4.13Å; F808-L812 HydrophobicContact CZ-CD1 4.07Å; F808-L812 HydrophobicContact CZ-CD2 4.25Å; F808-L812 HydrophobicContact CZ-CG 4.38Å; F808-L812 PolarHBondContact O-N 3.32Å |
| 809 | N | 77.9 | Confident | 80.4 | Confident | 92 Ų | 92 | 82.1 Ų | 82.1 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.9 | -35.1 | -179.5 | -85.1 | -32.8 | 0 | 0 | 0 | 112.4 | A805 K813 | A805-N809 PolarHBondContact O-N 3.48Å; N809-K813 WeakPolarHBondContact O-CB 3.36Å; N809-K813 PolarHBondContact O-N 3.42Å; N809-K813 VanDerWaalsContact O-N 3.11Å |
| 810 | K | 80.4 | Confident | 80.7 | Confident | 167 Ų | 167 | 81.9 Ų | 81.9 | 73% | 0.726 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.5 | -42 | 175 | -159 | 175.7 | -176.7 | -179.7 | 0 | 112.2 | D806 F808 Q814 | D806-K810 PolarHBondContact O-N 3.37Å; F808-K810 PolarHBondContact O-N 2.74Å; K810-Q814 PolarHBondContact O-N 2.84Å |
| 811 | K | 81.4 | Confident | 81.1 | Confident | 136 Ų | 136 | 80.2 Ų | 80.2 | 59% | 0.591 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 174.8 | -76.6 | -179.6 | 179.8 | 178.3 | 0 | 112.5 | A807 F808 Q814 K815 | A807-K811 PolarHBondContact O-N 3.1Å; F808-K811 WeakPolarHBondContact O-CA 3.42Å; F808-K811 WeakPolarHBondContact O-CB 3.43Å; F808-K811 PolarHBondContact O-N 3.48Å; K811-Q814 PolarHBondContact O-N 2.85Å; K811-K815 WeakPolarHBondContact O-CG 3.42Å; K811-K815 PolarHBondContact O-N 3.34Å |
| 812 | L | 82.3 | Confident | 81.3 | Confident | 36 Ų | 36 | 80.5 Ų | 80.5 | 19% | 0.188 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -49.6 | 177.4 | -175.2 | 78.4 | 0 | 0 | 0 | 110.7 | L359 V362 Q363 F808 Q814 K815 Q816 | L359-L812 HydrophobicContact CD2-CD1 4.17Å; V362-L812 HydrophobicContact CG1-CB 4.5Å; V362-L812 HydrophobicContact CG1-CD1 4.07Å; Q363-L812 HydrophobicContact CG-CD1 3.68Å; F808-L812 HydrophobicContact CE1-CD2 4.41Å; F808-L812 HydrophobicContact CE2-CB 4.42Å; F808-L812 HydrophobicContact CZ-CB 4.13Å; F808-L812 HydrophobicContact CZ-CD1 4.07Å; F808-L812 HydrophobicContact CZ-CD2 4.25Å; F808-L812 HydrophobicContact CZ-CG 4.38Å; F808-L812 PolarHBondContact O-N 3.32Å; L812-Q814 VanDerWaalsContact C-N 3.31Å; L812-Q814 PolarHBondContact O-N 3.17Å; L812-K815 PolarHBondContact O-N 2.93Å; L812-Q816 WeakPolarHBondContact O-CB 3.48Å; L812-Q816 PolarHBondContact O-N 2.79Å |
| 813 | K | 81.5 | Confident | 81.6 | Confident | 147 Ų | 147 | 77.4 Ų | 77.4 | 64% | 0.639 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.7 | -38 | -179.4 | -159.1 | 173.5 | -173.4 | 176.5 | 0 | 112.5 | N809 Q817 | N809-K813 WeakPolarHBondContact O-CB 3.36Å; N809-K813 PolarHBondContact O-N 3.42Å; N809-K813 VanDerWaalsContact O-N 3.11Å; K813-Q817 WeakPolarHBondContact O-CG 3.42Å; K813-Q817 PolarHBondContact O-N 2.83Å; K813-Q817 VanDerWaalsContact O-N 3.16Å |
| 814 | Q | 83.2 | Confident | 81.9 | Confident | 112 Ų | 112 | 80 Ų | 80 | 52% | 0.523 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 175.1 | -172.9 | 176.9 | -3.5 | 0 | 0 | 111.7 | K810 K811 L812 Q817 E818 | K810-Q814 PolarHBondContact O-N 2.84Å; K811-Q814 PolarHBondContact O-N 2.85Å; L812-Q814 VanDerWaalsContact C-N 3.31Å; L812-Q814 PolarHBondContact O-N 3.17Å; Q814-Q817 PolarHBondContact O-N 2.85Å; Q814-E818 WeakPolarHBondContact O-CG 3.49Å; Q814-E818 PolarHBondContact O-N 2.89Å |
| 815 | K | 81.5 | Confident | 82.2 | Confident | 61 Ų | 61 | 78 Ų | 78 | 27% | 0.265 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.4 | -33 | 178.6 | -75.3 | -74.1 | 165.3 | -159.9 | 0 | 113.4 | K811 L812 E818 S819 | K811-K815 WeakPolarHBondContact O-CG 3.42Å; K811-K815 PolarHBondContact O-N 3.34Å; L812-K815 PolarHBondContact O-N 2.93Å; K815-E818 WeakPolarHBondContact CE-OE2 3.41Å; K815-E818 IonicContact NZ-OE2 2.7Å; K815-E818 PolarHBondContact NZ-OE2 3.25Å; K815-E818 PolarHBondContact O-N 3.09Å; K815-S819 PolarHBondContact O-N 3.25Å |
| 816 | Q | 79.9 | Confident | 82.7 | Confident | 77 Ų | 77 | 78.6 Ų | 78.6 | 36% | 0.36 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 172.8 | -157.5 | 97.9 | 28.5 | 0 | 0 | 111.3 | L812 E818 S819 D820 | L812-Q816 WeakPolarHBondContact O-CB 3.48Å; L812-Q816 PolarHBondContact O-N 2.79Å; Q816-E818 VanDerWaalsContact C-N 3.34Å; Q816-E818 PolarHBondContact O-N 3.45Å; Q816-S819 WeakPolarHBondContact O-CB 3.2Å; Q816-S819 PolarHBondContact O-N 2.92Å; Q816-S819 VanDerWaalsContact O-N 3.16Å; Q816-D820 PolarHBondContact O-N 2.88Å |
| 817 | Q | 82.8 | Confident | 83.1 | Confident | 126 Ų | 126 | 78.2 Ų | 78.2 | 59% | 0.589 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.6 | -39.3 | 177.2 | -74.1 | 178.8 | -24.2 | 0 | 0 | 112.6 | K813 Q814 A821 | K813-Q817 WeakPolarHBondContact O-CG 3.42Å; K813-Q817 PolarHBondContact O-N 2.83Å; K813-Q817 VanDerWaalsContact O-N 3.16Å; Q814-Q817 PolarHBondContact O-N 2.85Å; Q817-A821 WeakPolarHBondContact O-CB 3.16Å; Q817-A821 PolarHBondContact O-N 2.8Å; Q817-A821 VanDerWaalsContact O-N 3.12Å |
| 818 | E | 84.1 | Confident | 83.4 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 32% | 0.322 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 173.7 | -73.3 | 171.7 | -166.3 | 0 | 0 | 111.7 | Q814 K815 Q816 V822 | Q814-E818 WeakPolarHBondContact O-CG 3.49Å; Q814-E818 PolarHBondContact O-N 2.89Å; K815-E818 WeakPolarHBondContact CE-OE2 3.41Å; K815-E818 IonicContact NZ-OE2 2.7Å; K815-E818 PolarHBondContact NZ-OE2 3.25Å; K815-E818 PolarHBondContact O-N 3.09Å; Q816-E818 VanDerWaalsContact C-N 3.34Å; Q816-E818 PolarHBondContact O-N 3.45Å; E818-V822 WeakPolarHBondContact O-CG2 3.38Å; E818-V822 PolarHBondContact O-N 3.19Å |
| 819 | S | 83.9 | Confident | 83.7 | Confident | 20 Ų | 20 | 81.2 Ų | 81.2 | 14% | 0.14 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 177.8 | -173 | 0 | 0 | 0 | 0 | 112.6 | K815 Q816 A821 V822 A823 | K815-S819 PolarHBondContact O-N 3.25Å; Q816-S819 WeakPolarHBondContact O-CB 3.2Å; Q816-S819 PolarHBondContact O-N 2.92Å; Q816-S819 VanDerWaalsContact O-N 3.16Å; S819-A821 VanDerWaalsContact C-N 3.33Å; S819-A821 PolarHBondContact O-N 2.8Å; S819-V822 PolarHBondContact O-N 3Å; S819-A823 WeakPolarHBondContact O-CB 3.49Å; S819-A823 PolarHBondContact O-N 2.61Å |
| 820 | D | 82.9 | Confident | 84.1 | Confident | 89 Ų | 89 | 80.9 Ų | 80.9 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | -178.8 | -66.5 | -21.5 | 0 | 0 | 0 | 111.5 | Q816 A823 L824 | Q816-D820 PolarHBondContact O-N 2.88Å; D820-A823 PolarHBondContact O-N 3.13Å; D820-L824 WeakPolarHBondContact O-CG 3.41Å; D820-L824 PolarHBondContact O-N 3.31Å; D820-L824 VanDerWaalsContact O-N 3.12Å |
| 821 | A | 85.8 | Confident | 84.5 | Confident | 49 Ų | 49 | 81 Ų | 81 | 41% | 0.405 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q817 S819 A823 L824 E825 | Q817-A821 WeakPolarHBondContact O-CB 3.16Å; Q817-A821 PolarHBondContact O-N 2.8Å; Q817-A821 VanDerWaalsContact O-N 3.12Å; S819-A821 VanDerWaalsContact C-N 3.33Å; S819-A821 PolarHBondContact O-N 2.8Å; A821-A823 VanDerWaalsContact C-N 3.33Å; A821-A823 PolarHBondContact O-N 3.26Å; A821-L824 PolarHBondContact O-N 2.79Å; A821-E825 PolarHBondContact O-N 3.3Å |
| 822 | V | 85.6 | Confident | 84.8 | Confident | 18 Ų | 18 | 78.7 Ų | 78.7 | 11% | 0.109 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -69.6 | -31.8 | 179.4 | -178 | 0 | 0 | 0 | 0 | 111.5 | K348 E351 V352 L355 E818 S819 E825 L826 | K348-V822 HydrophobicContact CD-CG1 4.01Å; E351-V822 HydrophobicContact CB-CG1 4.33Å; V352-V822 HydrophobicContact CG2-CB 4.29Å; V352-V822 HydrophobicContact CG2-CG1 3.6Å; L355-V822 HydrophobicContact CD1-CB 4.4Å; L355-V822 HydrophobicContact CD1-CG2 4.02Å; E818-V822 WeakPolarHBondContact O-CG2 3.38Å; E818-V822 PolarHBondContact O-N 3.19Å; S819-V822 PolarHBondContact O-N 3Å; V822-E825 PolarHBondContact O-N 3.11Å; V822-L826 WeakPolarHBondContact O-CB 3.34Å; V822-L826 PolarHBondContact O-N 3.26Å |
| 823 | A | 83.8 | Confident | 85.1 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S819 D820 A821 L826 E827 | S819-A823 WeakPolarHBondContact O-CB 3.49Å; S819-A823 PolarHBondContact O-N 2.61Å; D820-A823 PolarHBondContact O-N 3.13Å; A821-A823 VanDerWaalsContact C-N 3.33Å; A821-A823 PolarHBondContact O-N 3.26Å; A823-L826 PolarHBondContact O-N 3.03Å; A823-E827 PolarHBondContact O-N 3.35Å; A823-E827 VanDerWaalsContact O-N 3.08Å |
| 824 | L | 85.9 | Confident | 85.4 | Confident | 117 Ų | 117 | 73.9 Ų | 73.9 | 61% | 0.613 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 174.7 | -75.2 | 164.8 | 0 | 0 | 0 | 112.1 | D820 A821 L826 E827 E828 | D820-L824 WeakPolarHBondContact O-CG 3.41Å; D820-L824 PolarHBondContact O-N 3.31Å; D820-L824 VanDerWaalsContact O-N 3.12Å; A821-L824 PolarHBondContact O-N 2.79Å; L824-L826 VanDerWaalsContact C-N 3.26Å; L824-L826 PolarHBondContact O-N 3.44Å; L824-E827 PolarHBondContact O-N 3.21Å; L824-E828 PolarHBondContact O-N 3.11Å |
| 825 | E | 85.7 | Confident | 85.8 | Confident | 86 Ų | 86 | 69.6 Ų | 69.6 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.6 | -39 | 174.6 | -71.4 | 177.5 | 179.5 | 0 | 0 | 111.9 | K348 A821 V822 E828 L829 | K348-E825 WeakPolarHBondContact CE-OE2 3.46Å; K348-E825 IonicContact NZ-OE2 2.81Å; K348-E825 PolarHBondContact NZ-OE2 2.97Å; A821-E825 PolarHBondContact O-N 3.3Å; V822-E825 PolarHBondContact O-N 3.11Å; E825-E828 PolarHBondContact O-N 3.02Å; E825-L829 WeakPolarHBondContact O-CG 3.5Å; E825-L829 PolarHBondContact O-N 3.45Å |
| 826 | L | 88.4 | Confident | 86.2 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68 | -40.5 | 178.6 | -169.3 | 150.2 | 0 | 0 | 0 | 112.1 | K348 E349 V352 V822 A823 L824 E828 L829 Q830 | K348-L826 HydrophobicContact CB-CD1 4.32Å; E349-L826 HydrophobicContact CB-CD1 4.28Å; E349-L826 HydrophobicContact CG-CD1 3.68Å; E349-L826 HydrophobicContact CG-CG 4.46Å; V352-L826 HydrophobicContact CB-CD1 4.5Å; V352-L826 HydrophobicContact CG2-CD1 3.85Å; V822-L826 WeakPolarHBondContact O-CB 3.34Å; V822-L826 PolarHBondContact O-N 3.26Å; A823-L826 PolarHBondContact O-N 3.03Å; L824-L826 VanDerWaalsContact C-N 3.26Å; L824-L826 PolarHBondContact O-N 3.44Å; L826-E828 VanDerWaalsContact C-N 3.33Å; L826-L829 PolarHBondContact O-N 2.92Å; L826-Q830 HydrophobicContact CD2-CG 4.27Å; L826-Q830 WeakPolarHBondContact O-CG 3.29Å; L826-Q830 PolarHBondContact O-N 3.12Å |
| 827 | E | 85.8 | Confident | 86.7 | Confident | 95 Ų | 95 | 71 Ų | 71 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.4 | -35 | 177.3 | -147.4 | -169.3 | -132.3 | 0 | 0 | 111.9 | A823 L824 R831 | A823-E827 PolarHBondContact O-N 3.35Å; A823-E827 VanDerWaalsContact O-N 3.08Å; L824-E827 PolarHBondContact O-N 3.21Å; E827-R831 WeakPolarHBondContact O-CG 3.33Å; E827-R831 PolarHBondContact O-N 3.45Å; E827-R831 IonicContact OE2-CZ 3.62Å; E827-R831 IonicContact OE2-NH2 3.63Å; E827-R831 PolarHBondContact OE2-NH2 3.4Å |
| 828 | E | 87.3 | Confident | 87.1 | Confident | 124 Ų | 124 | 71.8 Ų | 71.8 | 58% | 0.579 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66 | -49.1 | 173.8 | -169.4 | 165.8 | -161.2 | 0 | 0 | 111.4 | L824 E825 L826 Q830 R831 E832 | L824-E828 PolarHBondContact O-N 3.11Å; E825-E828 PolarHBondContact O-N 3.02Å; L826-E828 VanDerWaalsContact C-N 3.33Å; E828-Q830 VanDerWaalsContact C-N 3.29Å; E828-Q830 PolarHBondContact O-N 3.41Å; E828-R831 PolarHBondContact O-N 2.84Å; E828-R831 VanDerWaalsContact O-N 3.09Å; E828-E832 PolarHBondContact O-N 3.02Å |
| 829 | L | 87.6 | Confident | 87.4 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.9 | -37.1 | 175.3 | -76.3 | 168.5 | 0 | 0 | 0 | 112.7 | M344 L345 K348 E825 L826 E832 Q833 | M344-L829 HydrophobicContact CG-CD1 4.28Å; M344-L829 HydrophobicContact SD-CD1 4.39Å; M344-L829 HydrophobicContact SD-CD2 4.42Å; L345-L829 HydrophobicContact CD1-CB 4.35Å; K348-L829 HydrophobicContact CG-CD1 4.19Å; E825-L829 WeakPolarHBondContact O-CG 3.5Å; E825-L829 PolarHBondContact O-N 3.45Å; L826-L829 PolarHBondContact O-N 2.92Å; L829-E832 PolarHBondContact O-N 3.23Å; L829-Q833 PolarHBondContact O-N 3.34Å |
| 830 | Q | 87.4 | Confident | 87.8 | Confident | 84 Ų | 84 | 73.1 Ų | 73.1 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 175 | -80.2 | 178.4 | -11.4 | 0 | 0 | 112.4 | L345 L826 E828 Q833 A834 | L345-Q830 HydrophobicContact CD1-CB 4.5Å; L345-Q830 HydrophobicContact CD1-CG 3.71Å; L345-Q830 HydrophobicContact CG-CG 4.44Å; L826-Q830 HydrophobicContact CD2-CG 4.27Å; L826-Q830 WeakPolarHBondContact O-CG 3.29Å; L826-Q830 PolarHBondContact O-N 3.12Å; E828-Q830 VanDerWaalsContact C-N 3.29Å; E828-Q830 PolarHBondContact O-N 3.41Å; Q830-Q833 PolarHBondContact O-N 3.39Å; Q830-A834 PolarHBondContact O-N 2.93Å |
| 831 | R | 88.3 | Confident | 88.2 | Confident | 170 Ų | 170 | 74.6 Ų | 74.6 | 64% | 0.642 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.9 | -40.6 | 174.9 | -71.9 | -178.6 | -148.3 | 177.8 | 8.5 | 111.9 | E827 E828 Q833 A834 G835 | E827-R831 WeakPolarHBondContact O-CG 3.33Å; E827-R831 PolarHBondContact O-N 3.45Å; E827-R831 IonicContact OE2-CZ 3.62Å; E827-R831 IonicContact OE2-NH2 3.63Å; E827-R831 PolarHBondContact OE2-NH2 3.4Å; E828-R831 PolarHBondContact O-N 2.84Å; E828-R831 VanDerWaalsContact O-N 3.09Å; R831-Q833 VanDerWaalsContact C-N 3.33Å; R831-A834 PolarHBondContact O-N 3.24Å; R831-G835 PolarHBondContact O-N 3.49Å |
| 832 | E | 87.7 | Confident | 88.5 | Confident | 87 Ų | 87 | 75 Ų | 75 | 41% | 0.407 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 175.8 | -70.6 | -173 | 153.4 | 0 | 0 | 111.3 | E828 L829 A834 G835 Y836 | E828-E832 PolarHBondContact O-N 3.02Å; L829-E832 PolarHBondContact O-N 3.23Å; E832-A834 PolarHBondContact O-N 3.45Å; E832-G835 WeakPolarHBondContact O-CA 3.32Å; E832-G835 PolarHBondContact O-N 2.91Å; E832-G835 VanDerWaalsContact O-N 3.08Å; E832-Y836 HydrophobicContact CB-CE2 4.32Å; E832-Y836 WeakPolarHBondContact O-CD2 3.36Å; E832-Y836 PolarHBondContact O-N 3.14Å |
| 833 | Q | 88 | Confident | 88.8 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 16% | 0.159 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.7 | -155.6 | -157.4 | -15.1 | 0 | 0 | 112.4 | M338 L829 Q830 R831 G835 Y836 E837 | M338-Q833 HydrophobicContact CG-CG 4.24Å; L829-Q833 PolarHBondContact O-N 3.34Å; Q830-Q833 PolarHBondContact O-N 3.39Å; R831-Q833 VanDerWaalsContact C-N 3.33Å; Q833-G835 VanDerWaalsContact C-N 3.31Å; Q833-G835 PolarHBondContact O-N 3.43Å; Q833-Y836 PolarHBondContact O-N 3.16Å; Q833-E837 PolarHBondContact O-N 3.07Å; Q833-E837 VanDerWaalsContact O-N 3.14Å |
| 834 | A | 88.3 | Confident | 89.2 | Confident | 48 Ų | 48 | 74.9 Ų | 74.9 | 40% | 0.397 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.3 | -36 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q830 R831 E832 E837 Q838 | Q830-A834 PolarHBondContact O-N 2.93Å; R831-A834 PolarHBondContact O-N 3.24Å; E832-A834 PolarHBondContact O-N 3.45Å; A834-E837 PolarHBondContact O-N 3.19Å; A834-Q838 PolarHBondContact O-N 3.48Å |
| 835 | G | 90.4 | Very high | 89.5 | Confident | 23 Ų | 23 | 74.9 Ų | 74.9 | 24% | 0.237 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | R831 E832 Q833 Q838 Q839 | R831-G835 PolarHBondContact O-N 3.49Å; E832-G835 WeakPolarHBondContact O-CA 3.32Å; E832-G835 PolarHBondContact O-N 2.91Å; E832-G835 VanDerWaalsContact O-N 3.08Å; Q833-G835 VanDerWaalsContact C-N 3.31Å; Q833-G835 PolarHBondContact O-N 3.43Å; G835-Q838 PolarHBondContact O-N 3.04Å; G835-Q839 WeakPolarHBondContact O-CG 3.09Å; G835-Q839 PolarHBondContact O-N 2.95Å; G835-Q839 VanDerWaalsContact O-N 3.12Å |
| 836 | Y | 90.9 | Very high | 89.6 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 21% | 0.212 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.2 | -72.3 | -59 | 0 | 0 | 0 | 112.5 | L334 M338 D341 E832 Q833 Q838 Q839 I840 | L334-Y836 HydrophobicContact CD2-CD1 4.06Å; L334-Y836 HydrophobicContact CD2-CE1 4.28Å; M338-Y836 HydrophobicContact CB-CD2 4.44Å; M338-Y836 HydrophobicContact CB-CG 4.29Å; D341-Y836 WeakPolarHBondContact OD2-CE2 3.43Å; E832-Y836 HydrophobicContact CB-CE2 4.32Å; E832-Y836 WeakPolarHBondContact O-CD2 3.36Å; E832-Y836 PolarHBondContact O-N 3.14Å; Q833-Y836 PolarHBondContact O-N 3.16Å; Y836-Q838 PolarHBondContact O-N 3.4Å; Y836-Q839 PolarHBondContact O-N 3.08Å; Y836-I840 WeakPolarHBondContact O-CB 3.46Å; Y836-I840 VanDerWaalsContact O-CG1 3.26Å; Y836-I840 WeakPolarHBondContact O-CG1 3.35Å; Y836-I840 PolarHBondContact O-N 3.23Å |
| 837 | E | 90.1 | Very high | 89.8 | Confident | 112 Ų | 112 | 72.6 Ų | 72.6 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.7 | -84.2 | 178.7 | 170.4 | 0 | 0 | 112.1 | M338 Q833 A834 Q839 I840 Q841 | M338-E837 HydrophobicContact SD-CG 4.14Å; Q833-E837 PolarHBondContact O-N 3.07Å; Q833-E837 VanDerWaalsContact O-N 3.14Å; A834-E837 PolarHBondContact O-N 3.19Å; E837-Q839 PolarHBondContact O-N 2.84Å; E837-I840 PolarHBondContact O-N 2.82Å; E837-Q841 PolarHBondContact O-N 2.84Å |
| 838 | Q | 90.8 | Very high | 90.2 | Very high | 144 Ų | 144 | 75.1 Ų | 75.1 | 67% | 0.673 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.6 | -41.7 | 175.8 | -72.3 | -176.6 | -7.3 | 0 | 0 | 112.4 | A834 G835 Y836 Q841 A842 | A834-Q838 PolarHBondContact O-N 3.48Å; G835-Q838 PolarHBondContact O-N 3.04Å; Y836-Q838 PolarHBondContact O-N 3.4Å; Q838-Q841 PolarHBondContact O-N 3.33Å; Q838-A842 PolarHBondContact O-N 3.02Å |
| 839 | Q | 90.2 | Very high | 90.4 | Very high | 98 Ų | 98 | 71.3 Ų | 71.3 | 46% | 0.458 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 177.7 | -70.8 | 178.3 | 32.8 | 0 | 0 | 112.2 | L334 G835 Y836 E837 Q841 A842 V843 | L334-Q839 HydrophobicContact CD1-CB 4.23Å; G835-Q839 WeakPolarHBondContact O-CG 3.09Å; G835-Q839 PolarHBondContact O-N 2.95Å; G835-Q839 VanDerWaalsContact O-N 3.12Å; Y836-Q839 PolarHBondContact O-N 3.08Å; E837-Q839 PolarHBondContact O-N 2.84Å; Q839-Q841 VanDerWaalsContact C-N 3.34Å; Q839-A842 PolarHBondContact O-N 2.76Å; Q839-V843 VanDerWaalsContact O-CG2 3.3Å; Q839-V843 WeakPolarHBondContact O-CG2 3.48Å; Q839-V843 PolarHBondContact O-N 2.98Å |
| 840 | I | 92.9 | Very high | 90.5 | Very high | 18 Ų | 18 | 71.6 Ų | 71.6 | 9% | 0.092 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 176 | -70.6 | 163.5 | 0 | 0 | 0 | 110.1 | L334 V335 M338 Y836 E837 A842 V843 D844 | L334-I840 HydrophobicContact CB-CD1 4.47Å; L334-I840 HydrophobicContact CB-CG1 3.94Å; V335-I840 HydrophobicContact CG2-CD1 3.78Å; V335-I840 HydrophobicContact CG2-CG1 4.25Å; M338-I840 HydrophobicContact SD-CD1 3.84Å; Y836-I840 WeakPolarHBondContact O-CB 3.46Å; Y836-I840 VanDerWaalsContact O-CG1 3.26Å; Y836-I840 WeakPolarHBondContact O-CG1 3.35Å; Y836-I840 PolarHBondContact O-N 3.23Å; E837-I840 PolarHBondContact O-N 2.82Å; I840-A842 PolarHBondContact O-N 2.88Å; I840-V843 PolarHBondContact O-N 2.85Å; I840-D844 WeakPolarHBondContact O-CB 3.48Å; I840-D844 PolarHBondContact O-N 2.96Å |
| 841 | Q | 92.3 | Very high | 90.7 | Very high | 120 Ų | 120 | 71 Ų | 71 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61 | -45.5 | 177.7 | -172.3 | 175.7 | -2.8 | 0 | 0 | 112 | E837 Q838 Q839 V843 D844 E845 | E837-Q841 PolarHBondContact O-N 2.84Å; Q838-Q841 PolarHBondContact O-N 3.33Å; Q839-Q841 VanDerWaalsContact C-N 3.34Å; Q841-V843 VanDerWaalsContact C-N 3.33Å; Q841-V843 PolarHBondContact O-N 3.26Å; Q841-D844 PolarHBondContact O-N 2.91Å; Q841-E845 WeakPolarHBondContact O-CG 3.41Å; Q841-E845 PolarHBondContact O-N 3.42Å |
| 842 | A | 90.5 | Very high | 90.9 | Very high | 58 Ų | 58 | 69.4 Ų | 69.4 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q838 Q839 I840 A846 | Q838-A842 PolarHBondContact O-N 3.02Å; Q839-A842 PolarHBondContact O-N 2.76Å; I840-A842 PolarHBondContact O-N 2.88Å; A842-A846 WeakPolarHBondContact O-CB 3.5Å; A842-A846 PolarHBondContact O-N 2.95Å |
| 843 | V | 92.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.6 | -36.8 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | E327 K330 R331 L334 Q839 I840 Q841 A846 T847 | E327-V843 HydrophobicContact CB-CG1 4.5Å; K330-V843 HydrophobicContact CD-CG2 4.47Å; R331-V843 HydrophobicContact CB-CG1 3.84Å; R331-V843 HydrophobicContact CG-CG1 4.4Å; L334-V843 HydrophobicContact CD1-CG2 4.17Å; Q839-V843 VanDerWaalsContact O-CG2 3.3Å; Q839-V843 WeakPolarHBondContact O-CG2 3.48Å; Q839-V843 PolarHBondContact O-N 2.98Å; I840-V843 PolarHBondContact O-N 2.85Å; Q841-V843 VanDerWaalsContact C-N 3.33Å; Q841-V843 PolarHBondContact O-N 3.26Å; V843-A846 PolarHBondContact O-N 3.16Å; V843-T847 WeakPolarHBondContact O-CB 3.37Å; V843-T847 PolarHBondContact O-N 3.38Å; V843-T847 PolarHBondContact O-OG1 3.24Å |
| 844 | D | 91.6 | Very high | 91.3 | Very high | 50 Ų | 50 | 68 Ų | 68 | 27% | 0.267 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 176.6 | -87.4 | -25.8 | 0 | 0 | 0 | 112.4 | R331 I840 Q841 T847 K848 | R331-D844 WeakPolarHBondContact CD-OD1 3.24Å; R331-D844 IonicContact CZ-OD1 2.8Å; R331-D844 IonicContact CZ-OD2 3.79Å; R331-D844 VanDerWaalsContact NE-CG 3.27Å; R331-D844 IonicContact NE-OD1 3.6Å; R331-D844 PolarHBondContact NE-OD1 2.94Å; R331-D844 IonicContact NE-OD2 2.9Å; R331-D844 PolarHBondContact NE-OD2 3.32Å; R331-D844 IonicContact NH2-OD1 3.24Å; R331-D844 IonicContact NH2-OD2 2.77Å; R331-D844 PolarHBondContact NH2-OD2 2.97Å; I840-D844 WeakPolarHBondContact O-CB 3.48Å; I840-D844 PolarHBondContact O-N 2.96Å; Q841-D844 PolarHBondContact O-N 2.91Å; D844-T847 PolarHBondContact O-N 3.13Å; D844-K848 PolarHBondContact O-N 3.14Å |
| 845 | E | 92.1 | Very high | 91.5 | Very high | 117 Ų | 117 | 70 Ų | 70 | 55% | 0.547 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 173.6 | -71.5 | 174 | -172.5 | 0 | 0 | 111.7 | Q841 T847 K848 A849 | Q841-E845 WeakPolarHBondContact O-CG 3.41Å; Q841-E845 PolarHBondContact O-N 3.42Å; E845-T847 VanDerWaalsContact C-N 3.32Å; E845-T847 PolarHBondContact O-N 3.17Å; E845-K848 PolarHBondContact O-N 3.48Å; E845-A849 PolarHBondContact O-N 3.01Å |
| 846 | A | 89.6 | Confident | 91.5 | Very high | 39 Ų | 39 | 72.1 Ų | 72.1 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A842 V843 A849 I850 | A842-A846 WeakPolarHBondContact O-CB 3.5Å; A842-A846 PolarHBondContact O-N 2.95Å; V843-A846 PolarHBondContact O-N 3.16Å; A846-A849 PolarHBondContact O-N 2.96Å; A846-I850 VanDerWaalsContact O-CG1 3.24Å; A846-I850 WeakPolarHBondContact O-CG1 3.46Å; A846-I850 PolarHBondContact O-N 3.37Å |
| 847 | T | 92.6 | Very high | 91.5 | Very high | 22 Ų | 22 | 71.9 Ų | 71.9 | 14% | 0.135 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 178.4 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | L324 T328 V843 D844 E845 I850 Q851 | L324-T847 HydrophobicContact CD1-CG2 3.54Å; L324-T847 WeakPolarHBondContact CD1-O 3.43Å; T328-T847 HydrophobicContact CG2-CG2 3.88Å; V843-T847 WeakPolarHBondContact O-CB 3.37Å; V843-T847 PolarHBondContact O-N 3.38Å; V843-T847 PolarHBondContact O-OG1 3.24Å; D844-T847 PolarHBondContact O-N 3.13Å; E845-T847 VanDerWaalsContact C-N 3.32Å; E845-T847 PolarHBondContact O-N 3.17Å; T847-I850 PolarHBondContact O-N 3.28Å; T847-Q851 WeakPolarHBondContact O-CB 3.25Å; T847-Q851 PolarHBondContact O-N 3.48Å |
| 848 | K | 92.5 | Very high | 91.6 | Very high | 148 Ų | 148 | 68.3 Ų | 68.3 | 64% | 0.643 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.1 | -47.9 | 174.6 | -75.8 | 178.9 | -179.6 | 176.4 | 0 | 112 | D844 E845 I850 Q851 E852 | D844-K848 PolarHBondContact O-N 3.14Å; E845-K848 PolarHBondContact O-N 3.48Å; K848-I850 VanDerWaalsContact C-N 3.31Å; K848-I850 PolarHBondContact O-N 2.73Å; K848-Q851 WeakPolarHBondContact O-CB 3.46Å; K848-Q851 PolarHBondContact O-N 3.4Å; K848-Q851 VanDerWaalsContact O-N 3.1Å; K848-E852 PolarHBondContact O-N 3.43Å |
| 849 | A | 91.4 | Very high | 91.6 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E845 A846 Q853 | E845-A849 PolarHBondContact O-N 3.01Å; A846-A849 PolarHBondContact O-N 2.96Å; A849-Q853 WeakPolarHBondContact O-CG 3.42Å; A849-Q853 PolarHBondContact O-N 2.96Å |
| 850 | I | 90.4 | Very high | 91.5 | Very high | 25 Ų | 25 | 63.3 Ų | 63.3 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 175.1 | -66.7 | 166 | 0 | 0 | 0 | 110.9 | L324 E327 A846 T847 K848 Q853 I854 | L324-I850 HydrophobicContact CB-CG2 3.88Å; L324-I850 HydrophobicContact CD1-CB 4.13Å; L324-I850 HydrophobicContact CD1-CG2 3.91Å; E327-I850 HydrophobicContact CG-CD1 4.15Å; A846-I850 VanDerWaalsContact O-CG1 3.24Å; A846-I850 WeakPolarHBondContact O-CG1 3.46Å; A846-I850 PolarHBondContact O-N 3.37Å; T847-I850 PolarHBondContact O-N 3.28Å; K848-I850 VanDerWaalsContact C-N 3.31Å; K848-I850 PolarHBondContact O-N 2.73Å; I850-Q853 WeakPolarHBondContact O-CB 3.39Å; I850-Q853 PolarHBondContact O-N 2.94Å; I850-I854 HydrophobicContact CG2-CD1 3.92Å; I850-I854 HydrophobicContact CG2-CG1 4.45Å; I850-I854 WeakPolarHBondContact O-CG1 3.35Å; I850-I854 PolarHBondContact O-N 3.25Å |
| 851 | Q | 92.3 | Very high | 91.5 | Very high | 70 Ų | 70 | 62.7 Ų | 62.7 | 33% | 0.327 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 178.5 | -173.4 | 60.5 | 52.6 | 0 | 0 | 112.1 | L324 T847 K848 Q853 I854 D855 | L324-Q851 HydrophobicContact CD1-CB 4.48Å; T847-Q851 WeakPolarHBondContact O-CB 3.25Å; T847-Q851 PolarHBondContact O-N 3.48Å; K848-Q851 WeakPolarHBondContact O-CB 3.46Å; K848-Q851 PolarHBondContact O-N 3.4Å; K848-Q851 VanDerWaalsContact O-N 3.1Å; Q851-Q853 VanDerWaalsContact C-N 3.27Å; Q851-Q853 PolarHBondContact O-N 3.37Å; Q851-I854 WeakPolarHBondContact O-CB 3.25Å; Q851-I854 PolarHBondContact O-N 2.98Å; Q851-D855 PolarHBondContact NE2-OD1 3.26Å; Q851-D855 VanDerWaalsContact O-CG 3.3Å; Q851-D855 PolarHBondContact O-N 3.45Å |
| 852 | E | 92.2 | Very high | 91.4 | Very high | 138 Ų | 138 | 60.8 Ų | 60.8 | 65% | 0.645 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.5 | -38.1 | 175.8 | -69.5 | 172.7 | 180 | 0 | 0 | 112 | K848 D855 S856 | K848-E852 PolarHBondContact O-N 3.43Å; E852-D855 PolarHBondContact O-N 2.89Å; E852-S856 PolarHBondContact O-N 2.9Å; E852-S856 VanDerWaalsContact O-N 3.1Å; E852-S856 PolarHBondContact O-OG 3.39Å |
| 853 | Q | 90.7 | Very high | 91.4 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 173.3 | -71.2 | 176.7 | 11.5 | 0 | 0 | 112.1 | A849 I850 Q851 D855 S856 M857 | A849-Q853 WeakPolarHBondContact O-CG 3.42Å; A849-Q853 PolarHBondContact O-N 2.96Å; I850-Q853 WeakPolarHBondContact O-CB 3.39Å; I850-Q853 PolarHBondContact O-N 2.94Å; Q851-Q853 VanDerWaalsContact C-N 3.27Å; Q851-Q853 PolarHBondContact O-N 3.37Å; Q853-D855 VanDerWaalsContact C-N 3.35Å; Q853-S856 PolarHBondContact O-OG 3.42Å; Q853-M857 WeakPolarHBondContact O-CB 3.48Å; Q853-M857 WeakPolarHBondContact O-CG 3.47Å; Q853-M857 PolarHBondContact O-N 2.88Å |
| 854 | I | 93.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.5 | -74.1 | 165.9 | 0 | 0 | 0 | 110.7 | L317 K320 K321 L324 I850 Q851 M857 A858 | L317-I854 HydrophobicContact CD1-CB 4.43Å; L317-I854 HydrophobicContact CD1-CG2 3.97Å; L317-I854 WeakPolarHBondContact CD1-O 3.41Å; K320-I854 HydrophobicContact CB-CD1 4.49Å; K320-I854 HydrophobicContact CB-CG1 3.87Å; K321-I854 HydrophobicContact CG-CD1 4.06Å; K321-I854 HydrophobicContact CG-CG1 4.33Å; K321-I854 HydrophobicContact CG-CG2 4.21Å; L324-I854 HydrophobicContact CB-CD1 3.84Å; L324-I854 HydrophobicContact CD2-CD1 3.78Å; L324-I854 HydrophobicContact CG-CD1 4.28Å; I850-I854 HydrophobicContact CG2-CD1 3.92Å; I850-I854 HydrophobicContact CG2-CG1 4.45Å; I850-I854 WeakPolarHBondContact O-CG1 3.35Å; I850-I854 PolarHBondContact O-N 3.25Å; Q851-I854 WeakPolarHBondContact O-CB 3.25Å; Q851-I854 PolarHBondContact O-N 2.98Å; I854-M857 PolarHBondContact O-N 3.39Å; I854-A858 VanDerWaalsContact O-CB 3.24Å; I854-A858 WeakPolarHBondContact O-CB 3.19Å; I854-A858 PolarHBondContact O-N 2.61Å |
| 855 | D | 91.2 | Very high | 91.2 | Very high | 90 Ų | 90 | 67.1 Ų | 67.1 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | -176.9 | -64 | -20.5 | 0 | 0 | 0 | 111.5 | Q851 E852 Q853 A858 C859 | Q851-D855 PolarHBondContact NE2-OD1 3.26Å; Q851-D855 VanDerWaalsContact O-CG 3.3Å; Q851-D855 PolarHBondContact O-N 3.45Å; E852-D855 PolarHBondContact O-N 2.89Å; Q853-D855 VanDerWaalsContact C-N 3.35Å; D855-A858 PolarHBondContact O-N 3.14Å; D855-C859 PolarHBondContact O-N 3.19Å; D855-C859 VanDerWaalsContact O-N 3.15Å |
| 856 | S | 91.5 | Very high | 91.1 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 174.4 | 62 | 0 | 0 | 0 | 0 | 112.4 | E852 Q853 C859 T860 | E852-S856 PolarHBondContact O-N 2.9Å; E852-S856 VanDerWaalsContact O-N 3.1Å; E852-S856 PolarHBondContact O-OG 3.39Å; Q853-S856 PolarHBondContact O-OG 3.42Å; S856-C859 WeakPolarHBondContact O-CB 3.5Å; S856-C859 PolarHBondContact O-N 3.46Å; S856-T860 PolarHBondContact O-N 3.27Å; S856-T860 PolarHBondContact O-OG1 3.31Å |
| 857 | M | 90.2 | Very high | 91.1 | Very high | 48 Ų | 48 | 66.2 Ų | 66.2 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.7 | -33.7 | 178.5 | -70.1 | 176.4 | 71.4 | 0 | 0 | 112.6 | A316 L317 K320 Q853 I854 C859 T860 V861 | A316-M857 HydrophobicContact CB-CE 3.43Å; A316-M857 VanDerWaalsContact CB-CE 3.43Å; L317-M857 HydrophobicContact CB-CE 4.45Å; L317-M857 HydrophobicContact CD1-CB 3.88Å; K320-M857 HydrophobicContact CG-SD 4.03Å; Q853-M857 WeakPolarHBondContact O-CB 3.48Å; Q853-M857 WeakPolarHBondContact O-CG 3.47Å; Q853-M857 PolarHBondContact O-N 2.88Å; I854-M857 PolarHBondContact O-N 3.39Å; M857-C859 VanDerWaalsContact C-N 3.32Å; M857-C859 PolarHBondContact O-N 3.04Å; M857-T860 PolarHBondContact O-N 2.85Å; M857-V861 WeakPolarHBondContact O-CG2 3.5Å; M857-V861 PolarHBondContact O-N 3.33Å |
| 858 | A | 91.8 | Very high | 91 | Very high | 38 Ų | 38 | 66.3 Ų | 66.3 | 31% | 0.314 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L317 I854 D855 V861 S862 | L317-A858 HydrophobicContact CD1-CB 4.39Å; L317-A858 HydrophobicContact CD2-CB 4.39Å; I854-A858 VanDerWaalsContact O-CB 3.24Å; I854-A858 WeakPolarHBondContact O-CB 3.19Å; I854-A858 PolarHBondContact O-N 2.61Å; D855-A858 PolarHBondContact O-N 3.14Å; A858-V861 PolarHBondContact O-N 3.05Å; A858-S862 PolarHBondContact O-N 3.13Å |
| 859 | C | 90.8 | Very high | 91.1 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 49% | 0.486 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 172.7 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | D855 S856 M857 V861 S862 Q863 | D855-C859 PolarHBondContact O-N 3.19Å; D855-C859 VanDerWaalsContact O-N 3.15Å; S856-C859 WeakPolarHBondContact O-CB 3.5Å; S856-C859 PolarHBondContact O-N 3.46Å; M857-C859 VanDerWaalsContact C-N 3.32Å; M857-C859 PolarHBondContact O-N 3.04Å; C859-V861 PolarHBondContact O-N 2.92Å; C859-S862 WeakPolarHBondContact O-CB 3.48Å; C859-S862 PolarHBondContact O-N 2.92Å; C859-Q863 WeakPolarHBondContact O-CG 3.29Å; C859-Q863 PolarHBondContact O-N 3.25Å |
| 860 | T | 89.4 | Confident | 91 | Very high | 64 Ų | 64 | 68.9 Ų | 68.9 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 176.7 | -49.3 | 0 | 0 | 0 | 0 | 112.5 | S856 M857 S862 Q863 N864 | S856-T860 PolarHBondContact O-N 3.27Å; S856-T860 PolarHBondContact O-OG1 3.31Å; M857-T860 PolarHBondContact O-N 2.85Å; T860-S862 VanDerWaalsContact C-N 3.32Å; T860-S862 PolarHBondContact O-N 2.93Å; T860-Q863 PolarHBondContact O-N 3.05Å; T860-N864 VanDerWaalsContact O-CG 3.29Å; T860-N864 PolarHBondContact O-N 2.96Å; T860-N864 PolarHBondContact O-ND2 2.99Å |
| 861 | V | 92.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.6 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | L317 M857 A858 C859 Q863 N864 K865 | L317-V861 HydrophobicContact CB-CG2 4.42Å; L317-V861 HydrophobicContact CD2-CB 4.42Å; L317-V861 HydrophobicContact CD2-CG2 4.07Å; M857-V861 WeakPolarHBondContact O-CG2 3.5Å; M857-V861 PolarHBondContact O-N 3.33Å; A858-V861 PolarHBondContact O-N 3.05Å; C859-V861 PolarHBondContact O-N 2.92Å; V861-Q863 VanDerWaalsContact C-N 3.33Å; V861-Q863 PolarHBondContact O-N 3.36Å; V861-N864 PolarHBondContact O-N 3.3Å; V861-K865 HydrophobicContact CG1-CD 4.24Å; V861-K865 HydrophobicContact CG1-CG 4.49Å; V861-K865 WeakPolarHBondContact O-CG 3.38Å; V861-K865 PolarHBondContact O-N 3.44Å |
| 862 | S | 90.9 | Very high | 90.8 | Very high | 79 Ų | 79 | 69.2 Ų | 69.2 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 175.7 | -170.4 | 0 | 0 | 0 | 0 | 112.2 | A858 C859 T860 K865 E866 | A858-S862 PolarHBondContact O-N 3.13Å; C859-S862 WeakPolarHBondContact O-CB 3.48Å; C859-S862 PolarHBondContact O-N 2.92Å; T860-S862 VanDerWaalsContact C-N 3.32Å; T860-S862 PolarHBondContact O-N 2.93Å; S862-K865 PolarHBondContact O-N 3.46Å; S862-E866 PolarHBondContact O-N 3.11Å |
| 863 | Q | 90.5 | Very high | 90.7 | Very high | 119 Ų | 119 | 66.7 Ų | 66.7 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.8 | -42.4 | 176.2 | -69.5 | 173.5 | -12.9 | 0 | 0 | 111.5 | C859 T860 V861 E866 T867 | C859-Q863 WeakPolarHBondContact O-CG 3.29Å; C859-Q863 PolarHBondContact O-N 3.25Å; T860-Q863 PolarHBondContact O-N 3.05Å; V861-Q863 VanDerWaalsContact C-N 3.33Å; V861-Q863 PolarHBondContact O-N 3.36Å; Q863-E866 WeakPolarHBondContact O-CB 3.42Å; Q863-E866 PolarHBondContact O-N 3.21Å; Q863-T867 PolarHBondContact O-N 3.29Å; Q863-T867 VanDerWaalsContact O-N 3.08Å |
| 864 | N | 89.7 | Confident | 90.5 | Very high | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 178.1 | -68.2 | -18.3 | 0 | 0 | 0 | 112.8 | D310 S313 T860 V861 E866 T867 V868 | D310-N864 HydrophobicContact CB-CB 4.15Å; S313-N864 PolarHBondContact OG-ND2 3.15Å; T860-N864 VanDerWaalsContact O-CG 3.29Å; T860-N864 PolarHBondContact O-N 2.96Å; T860-N864 PolarHBondContact O-ND2 2.99Å; V861-N864 PolarHBondContact O-N 3.3Å; N864-E866 VanDerWaalsContact C-N 3.28Å; N864-E866 PolarHBondContact O-N 3.16Å; N864-T867 WeakPolarHBondContact CA-OG1 3.42Å; N864-T867 PolarHBondContact O-N 3.47Å; N864-T867 PolarHBondContact O-OG1 2.84Å; N864-V868 WeakPolarHBondContact O-CG2 3.46Å; N864-V868 PolarHBondContact O-N 3.05Å |
| 865 | K | 89.9 | Confident | 90.3 | Very high | 106 Ų | 106 | 68.1 Ų | 68.1 | 46% | 0.461 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 172.9 | -77.7 | -179.5 | -178.1 | 170.9 | 0 | 112.2 | V861 S862 V868 R869 | V861-K865 HydrophobicContact CG1-CD 4.24Å; V861-K865 HydrophobicContact CG1-CG 4.49Å; V861-K865 WeakPolarHBondContact O-CG 3.38Å; V861-K865 PolarHBondContact O-N 3.44Å; S862-K865 PolarHBondContact O-N 3.46Å; K865-V868 PolarHBondContact O-N 3.39Å; K865-R869 WeakPolarHBondContact O-CB 3.13Å; K865-R869 PolarHBondContact O-N 3.35Å |
| 866 | E | 90.7 | Very high | 90.2 | Very high | 66 Ų | 66 | 66.5 Ų | 66.5 | 31% | 0.308 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 176.3 | -177.5 | 58.3 | -165 | 0 | 0 | 112.1 | S862 Q863 N864 R869 K870 | S862-E866 PolarHBondContact O-N 3.11Å; Q863-E866 WeakPolarHBondContact O-CB 3.42Å; Q863-E866 PolarHBondContact O-N 3.21Å; N864-E866 VanDerWaalsContact C-N 3.28Å; N864-E866 PolarHBondContact O-N 3.16Å; E866-R869 VanDerWaalsContact CD-NH2 3.31Å; E866-R869 PolarHBondContact O-N 2.91Å; E866-R869 IonicContact OE1-CZ 2.78Å; E866-R869 IonicContact OE1-NE 3.12Å; E866-R869 IonicContact OE1-NH2 2.63Å; E866-R869 PolarHBondContact OE1-NH2 2.76Å; E866-R869 IonicContact OE2-CZ 3.21Å; E866-R869 IonicContact OE2-NE 2.66Å; E866-R869 PolarHBondContact OE2-NE 2.83Å; E866-R869 IonicContact OE2-NH2 3.18Å; E866-R869 PolarHBondContact OE2-NH2 2.83Å; E866-R869 VanDerWaalsContact OE2-NH2 3.13Å; E866-K870 WeakPolarHBondContact O-CG 3.42Å; E866-K870 PolarHBondContact O-N 3.47Å; E866-K870 WeakPolarHBondContact OE1-CE 3.32Å |
| 867 | T | 89.3 | Confident | 90.1 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 44% | 0.436 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 174.5 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | Q863 N864 R869 K870 A871 | Q863-T867 PolarHBondContact O-N 3.29Å; Q863-T867 VanDerWaalsContact O-N 3.08Å; N864-T867 WeakPolarHBondContact CA-OG1 3.42Å; N864-T867 PolarHBondContact O-N 3.47Å; N864-T867 PolarHBondContact O-OG1 2.84Å; T867-R869 VanDerWaalsContact C-N 3.33Å; T867-R869 PolarHBondContact O-N 2.84Å; T867-K870 PolarHBondContact O-N 3.13Å; T867-A871 PolarHBondContact O-N 3.28Å |
| 868 | V | 91.2 | Very high | 89.9 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 172.7 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L303 A306 Q307 D310 N864 K865 K870 A871 Q872 | L303-V868 HydrophobicContact CD1-CG1 4.25Å; A306-V868 HydrophobicContact CB-CG2 3.85Å; Q307-V868 HydrophobicContact CG-CG1 3.93Å; Q307-V868 HydrophobicContact CG-CG2 4.31Å; D310-V868 HydrophobicContact CB-CG2 4.09Å; N864-V868 WeakPolarHBondContact O-CG2 3.46Å; N864-V868 PolarHBondContact O-N 3.05Å; K865-V868 PolarHBondContact O-N 3.39Å; V868-K870 PolarHBondContact O-N 3.48Å; V868-A871 PolarHBondContact O-N 3.3Å; V868-Q872 WeakPolarHBondContact O-CB 3.27Å; V868-Q872 PolarHBondContact O-N 3.47Å |
| 869 | R | 92.6 | Very high | 89.6 | Confident | 130 Ų | 130 | 71.6 Ų | 71.6 | 49% | 0.491 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59 | -48.4 | 177.6 | -173.6 | 177.1 | 74.5 | 122.9 | 1.3 | 111.8 | K865 E866 T867 A871 Q872 E873 | K865-R869 WeakPolarHBondContact O-CB 3.13Å; K865-R869 PolarHBondContact O-N 3.35Å; E866-R869 VanDerWaalsContact CD-NH2 3.31Å; E866-R869 PolarHBondContact O-N 2.91Å; E866-R869 IonicContact OE1-CZ 2.78Å; E866-R869 IonicContact OE1-NE 3.12Å; E866-R869 IonicContact OE1-NH2 2.63Å; E866-R869 PolarHBondContact OE1-NH2 2.76Å; E866-R869 IonicContact OE2-CZ 3.21Å; E866-R869 IonicContact OE2-NE 2.66Å; E866-R869 PolarHBondContact OE2-NE 2.83Å; E866-R869 IonicContact OE2-NH2 3.18Å; E866-R869 PolarHBondContact OE2-NH2 2.83Å; E866-R869 VanDerWaalsContact OE2-NH2 3.13Å; T867-R869 VanDerWaalsContact C-N 3.33Å; T867-R869 PolarHBondContact O-N 2.84Å; R869-A871 PolarHBondContact O-N 3.23Å; R869-Q872 WeakPolarHBondContact O-CB 3.37Å; R869-Q872 PolarHBondContact O-N 3.22Å; R869-E873 IonicContact NH1-OE1 3.39Å; R869-E873 PolarHBondContact O-N 2.96Å |
| 870 | K | 90.8 | Very high | 89.4 | Confident | 117 Ų | 117 | 74.4 Ų | 74.4 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 178.3 | -71.4 | 179.3 | -179.3 | -177.4 | 0 | 112.3 | E866 T867 V868 Q872 E873 E874 | E866-K870 WeakPolarHBondContact O-CG 3.42Å; E866-K870 PolarHBondContact O-N 3.47Å; E866-K870 WeakPolarHBondContact OE1-CE 3.32Å; T867-K870 PolarHBondContact O-N 3.13Å; V868-K870 PolarHBondContact O-N 3.48Å; K870-Q872 VanDerWaalsContact C-N 3.31Å; K870-Q872 PolarHBondContact O-N 3.5Å; K870-E873 PolarHBondContact O-N 3.16Å; K870-E874 PolarHBondContact O-N 3.42Å |
| 871 | A | 88.3 | Confident | 89.3 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L303 T867 V868 R869 L875 | L303-A871 HydrophobicContact CB-CB 4.45Å; L303-A871 HydrophobicContact CD1-CB 4.06Å; T867-A871 PolarHBondContact O-N 3.28Å; V868-A871 PolarHBondContact O-N 3.3Å; R869-A871 PolarHBondContact O-N 3.23Å; A871-L875 WeakPolarHBondContact O-CB 3.42Å; A871-L875 PolarHBondContact O-N 2.9Å |
| 872 | Q | 89.4 | Confident | 89 | Confident | 90 Ų | 90 | 74.7 Ų | 74.7 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 176.2 | -167.3 | 76.8 | 42.2 | 0 | 0 | 111.8 | L303 V868 R869 K870 L875 S876 | L303-Q872 HydrophobicContact CD1-CB 4.28Å; L303-Q872 VanDerWaalsContact CD2-OE1 3.27Å; V868-Q872 WeakPolarHBondContact O-CB 3.27Å; V868-Q872 PolarHBondContact O-N 3.47Å; R869-Q872 WeakPolarHBondContact O-CB 3.37Å; R869-Q872 PolarHBondContact O-N 3.22Å; K870-Q872 VanDerWaalsContact C-N 3.31Å; K870-Q872 PolarHBondContact O-N 3.5Å; Q872-L875 PolarHBondContact O-N 3.19Å; Q872-S876 PolarHBondContact O-N 3.43Å |
| 873 | E | 89.9 | Confident | 88.8 | Confident | 84 Ų | 84 | 77.3 Ų | 77.3 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -44.9 | 176.4 | -75.7 | 178 | -169.6 | 0 | 0 | 111.5 | R869 K870 L875 S876 K877 | R869-E873 IonicContact NH1-OE1 3.39Å; R869-E873 PolarHBondContact O-N 2.96Å; K870-E873 PolarHBondContact O-N 3.16Å; E873-L875 PolarHBondContact O-N 2.86Å; E873-S876 PolarHBondContact O-N 3.23Å; E873-S876 PolarHBondContact O-OG 3.14Å; E873-K877 WeakPolarHBondContact O-CG 3.4Å; E873-K877 PolarHBondContact O-N 3.1Å |
| 874 | E | 87.6 | Confident | 88.6 | Confident | 111 Ų | 111 | 75.5 Ų | 75.5 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.8 | -77.7 | 176.8 | 173.4 | 0 | 0 | 112.4 | L299 K870 S876 K877 Q878 | L299-E874 HydrophobicContact CD2-CB 4.32Å; K870-E874 PolarHBondContact O-N 3.42Å; E874-S876 VanDerWaalsContact C-N 3.3Å; E874-S876 PolarHBondContact O-N 2.67Å; E874-K877 PolarHBondContact O-N 3.24Å; E874-Q878 PolarHBondContact O-N 2.68Å |
| 875 | L | 89.2 | Confident | 88.4 | Confident | 9 Ų | 9 | 76 Ų | 76 | 5% | 0.047 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 175.9 | -175.7 | 69.1 | 0 | 0 | 0 | 111.8 | L296 L299 E300 L303 A871 Q872 E873 Q878 K879 | L296-L875 HydrophobicContact CD1-CD1 3.69Å; L299-L875 HydrophobicContact CB-CD1 3.79Å; E300-L875 HydrophobicContact CG-CD1 3.66Å; E300-L875 HydrophobicContact CG-CD2 4.21Å; L303-L875 HydrophobicContact CD2-CD2 3.62Å; A871-L875 WeakPolarHBondContact O-CB 3.42Å; A871-L875 PolarHBondContact O-N 2.9Å; Q872-L875 PolarHBondContact O-N 3.19Å; E873-L875 PolarHBondContact O-N 2.86Å; L875-Q878 PolarHBondContact O-N 3.33Å; L875-K879 HydrophobicContact CG-CD 4.48Å; L875-K879 WeakPolarHBondContact O-CG 3.1Å; L875-K879 PolarHBondContact O-N 2.93Å |
| 876 | S | 87.9 | Confident | 88 | Confident | 57 Ų | 57 | 73.5 Ų | 73.5 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 178.6 | 72.3 | 0 | 0 | 0 | 0 | 112.3 | Q872 E873 E874 Q878 K879 E880 | Q872-S876 PolarHBondContact O-N 3.43Å; E873-S876 PolarHBondContact O-N 3.23Å; E873-S876 PolarHBondContact O-OG 3.14Å; E874-S876 VanDerWaalsContact C-N 3.3Å; E874-S876 PolarHBondContact O-N 2.67Å; S876-Q878 VanDerWaalsContact C-N 3.33Å; S876-Q878 PolarHBondContact O-N 2.91Å; S876-K879 PolarHBondContact O-N 3.49Å; S876-E880 PolarHBondContact O-N 3.41Å |
| 877 | K | 89.3 | Confident | 87.8 | Confident | 132 Ų | 132 | 76.8 Ų | 76.8 | 57% | 0.574 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.1 | -43 | 175.7 | -71 | 174.9 | -177.7 | 172.7 | 0 | 111.5 | E873 E874 K879 E880 V881 | E873-K877 WeakPolarHBondContact O-CG 3.4Å; E873-K877 PolarHBondContact O-N 3.1Å; E874-K877 PolarHBondContact O-N 3.24Å; K877-K879 VanDerWaalsContact C-N 3.34Å; K877-K879 PolarHBondContact O-N 3.47Å; K877-E880 PolarHBondContact O-N 3.01Å; K877-V881 WeakPolarHBondContact O-CG2 3.23Å; K877-V881 PolarHBondContact O-N 3.5Å |
| 878 | Q | 86.6 | Confident | 87.7 | Confident | 39 Ų | 39 | 77.7 Ų | 77.7 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 178.8 | -166.7 | 62.6 | 23.2 | 0 | 0 | 112.3 | V295 L296 L299 E874 L875 S876 V881 I882 | V295-Q878 HydrophobicContact CG1-CG 4.21Å; L296-Q878 HydrophobicContact CD1-CG 4.42Å; L299-Q878 HydrophobicContact CD1-CB 3.84Å; L299-Q878 HydrophobicContact CD1-CG 4.09Å; E874-Q878 PolarHBondContact O-N 2.68Å; L875-Q878 PolarHBondContact O-N 3.33Å; S876-Q878 VanDerWaalsContact C-N 3.33Å; S876-Q878 PolarHBondContact O-N 2.91Å; Q878-V881 PolarHBondContact O-N 3.34Å; Q878-I882 HydrophobicContact CG-CD1 4.38Å; Q878-I882 WeakPolarHBondContact O-CG1 3.46Å; Q878-I882 PolarHBondContact O-N 2.98Å; Q878-I882 VanDerWaalsContact O-N 3.12Å |
| 879 | K | 85.6 | Confident | 87.5 | Confident | 90 Ų | 90 | 77 Ų | 77 | 39% | 0.391 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -38.7 | 174.5 | -75.8 | -178.9 | 178.2 | -178.1 | 0 | 112.2 | L296 E300 L875 S876 K877 I882 M883 | L296-K879 HydrophobicContact CD1-CG 3.8Å; E300-K879 IonicContact OE1-NZ 3.13Å; L875-K879 HydrophobicContact CG-CD 4.48Å; L875-K879 WeakPolarHBondContact O-CG 3.1Å; L875-K879 PolarHBondContact O-N 2.93Å; S876-K879 PolarHBondContact O-N 3.49Å; K877-K879 VanDerWaalsContact C-N 3.34Å; K877-K879 PolarHBondContact O-N 3.47Å; K879-I882 PolarHBondContact O-N 3.48Å; K879-M883 WeakPolarHBondContact O-CG 3.31Å; K879-M883 PolarHBondContact O-N 3.49Å |
| 880 | E | 86.4 | Confident | 87.2 | Confident | 131 Ų | 131 | 78 Ų | 78 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61.6 | -42.4 | 174.3 | -72.6 | -177 | 168.9 | 0 | 0 | 112.2 | S876 K877 I882 M883 T884 | S876-E880 PolarHBondContact O-N 3.41Å; K877-E880 PolarHBondContact O-N 3.01Å; E880-I882 PolarHBondContact O-N 2.83Å; E880-M883 WeakPolarHBondContact O-CB 3.16Å; E880-M883 PolarHBondContact O-N 3.37Å; E880-T884 PolarHBondContact O-N 3.08Å |
| 881 | V | 86.6 | Confident | 87 | Confident | 60 Ų | 60 | 77.3 Ų | 77.3 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 176 | 174.3 | 0 | 0 | 0 | 0 | 111.7 | K877 Q878 M883 T884 Q885 | K877-V881 WeakPolarHBondContact O-CG2 3.23Å; K877-V881 PolarHBondContact O-N 3.5Å; Q878-V881 PolarHBondContact O-N 3.34Å; V881-M883 VanDerWaalsContact C-N 3.32Å; V881-M883 PolarHBondContact O-N 2.98Å; V881-T884 PolarHBondContact O-N 2.89Å; V881-T884 PolarHBondContact O-OG1 3.15Å; V881-Q885 WeakPolarHBondContact O-CG 3.3Å; V881-Q885 PolarHBondContact O-N 3.4Å |
| 882 | I | 86.6 | Confident | 86.9 | Confident | 16 Ų | 16 | 79 Ų | 79 | 8% | 0.082 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 177.1 | -66.9 | 160.7 | 0 | 0 | 0 | 110.7 | V292 L296 Q878 K879 E880 T884 Q885 D886 | V292-I882 HydrophobicContact CG2-CD1 3.96Å; V292-I882 HydrophobicContact CG2-CG1 4.35Å; V292-I882 HydrophobicContact CG2-CG2 4.15Å; L296-I882 HydrophobicContact CB-CD1 4.19Å; L296-I882 HydrophobicContact CD1-CD1 4.04Å; L296-I882 HydrophobicContact CD2-CD1 4.01Å; L296-I882 HydrophobicContact CG-CD1 4.31Å; Q878-I882 HydrophobicContact CG-CD1 4.38Å; Q878-I882 WeakPolarHBondContact O-CG1 3.46Å; Q878-I882 PolarHBondContact O-N 2.98Å; Q878-I882 VanDerWaalsContact O-N 3.12Å; K879-I882 PolarHBondContact O-N 3.48Å; E880-I882 PolarHBondContact O-N 2.83Å; I882-T884 PolarHBondContact O-N 2.97Å; I882-Q885 PolarHBondContact O-N 2.88Å; I882-D886 PolarHBondContact O-N 3.47Å |
| 883 | M | 86.2 | Confident | 86.7 | Confident | 134 Ų | 134 | 78 Ų | 78 | 66% | 0.66 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.1 | -38.3 | 177.8 | -75.4 | 179.3 | 64.2 | 0 | 0 | 113 | K879 E880 V881 K887 | K879-M883 WeakPolarHBondContact O-CG 3.31Å; K879-M883 PolarHBondContact O-N 3.49Å; E880-M883 WeakPolarHBondContact O-CB 3.16Å; E880-M883 PolarHBondContact O-N 3.37Å; V881-M883 VanDerWaalsContact C-N 3.32Å; V881-M883 PolarHBondContact O-N 2.98Å; M883-K887 PolarHBondContact O-N 3.37Å; M883-K887 VanDerWaalsContact O-N 3.12Å |
| 884 | T | 86.6 | Confident | 86.5 | Confident | 82 Ų | 82 | 77.5 Ų | 77.5 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 176.1 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | E880 V881 I882 D886 K887 E888 | E880-T884 PolarHBondContact O-N 3.08Å; V881-T884 PolarHBondContact O-N 2.89Å; V881-T884 PolarHBondContact O-OG1 3.15Å; I882-T884 PolarHBondContact O-N 2.97Å; T884-D886 PolarHBondContact O-N 2.99Å; T884-K887 WeakPolarHBondContact O-CB 3.45Å; T884-K887 PolarHBondContact O-N 2.84Å; T884-E888 PolarHBondContact O-N 3.23Å; T884-E888 VanDerWaalsContact O-N 3.09Å |
| 885 | Q | 84.8 | Confident | 86.4 | Confident | 37 Ų | 37 | 77.6 Ų | 77.6 | 17% | 0.173 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 174.9 | -67.7 | 175.3 | 10.1 | 0 | 0 | 112.6 | E291 V881 I882 K887 E888 L889 | E291-Q885 PolarHBondContact OE1-NE2 2.97Å; E291-Q885 PolarHBondContact OE2-NE2 3.08Å; E291-Q885 PolarHBondContact OE2-OE1 3.12Å; V881-Q885 WeakPolarHBondContact O-CG 3.3Å; V881-Q885 PolarHBondContact O-N 3.4Å; I882-Q885 PolarHBondContact O-N 2.88Å; Q885-K887 VanDerWaalsContact C-N 3.27Å; Q885-K887 PolarHBondContact O-N 2.74Å; Q885-E888 PolarHBondContact O-N 3.2Å; Q885-L889 WeakPolarHBondContact O-CB 3.46Å; Q885-L889 PolarHBondContact O-N 2.97Å |
| 886 | D | 82.3 | Confident | 86.3 | Confident | 53 Ų | 53 | 77.4 Ų | 77.4 | 28% | 0.283 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.4 | -32.2 | 176.2 | -89.2 | -18.7 | 0 | 0 | 0 | 112.2 | R288 I882 T884 K890 | R288-D886 IonicContact CZ-OD1 2.61Å; R288-D886 IonicContact NE-OD1 2.69Å; R288-D886 IonicContact NH1-OD1 3.79Å; R288-D886 PolarHBondContact NH1-OD1 3.02Å; I882-D886 PolarHBondContact O-N 3.47Å; T884-D886 PolarHBondContact O-N 2.99Å; D886-K890 WeakPolarHBondContact O-CG 3.31Å; D886-K890 PolarHBondContact O-N 3.11Å; D886-K890 VanDerWaalsContact O-N 3.11Å |
| 887 | K | 87.3 | Confident | 86.1 | Confident | 134 Ų | 134 | 78.4 Ų | 78.4 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68 | -47.6 | 174.6 | -171.4 | -175.1 | 174.8 | -168.5 | 0 | 111.4 | M883 T884 Q885 L889 K890 E891 | M883-K887 PolarHBondContact O-N 3.37Å; M883-K887 VanDerWaalsContact O-N 3.12Å; T884-K887 WeakPolarHBondContact O-CB 3.45Å; T884-K887 PolarHBondContact O-N 2.84Å; Q885-K887 VanDerWaalsContact C-N 3.27Å; Q885-K887 PolarHBondContact O-N 2.74Å; K887-L889 VanDerWaalsContact C-N 3.34Å; K887-L889 PolarHBondContact O-N 3.49Å; K887-K890 WeakPolarHBondContact O-CB 2.99Å; K887-K890 PolarHBondContact O-N 3.45Å; K887-E891 VanDerWaalsContact CE-OE1 3.29Å; K887-E891 WeakPolarHBondContact CE-OE1 3.36Å; K887-E891 WeakPolarHBondContact O-CG 3.49Å; K887-E891 PolarHBondContact O-N 2.97Å |
| 888 | E | 86.5 | Confident | 86 | Confident | 90 Ų | 90 | 78 Ų | 78 | 42% | 0.421 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 176.8 | -69.5 | -178.4 | -173.1 | 0 | 0 | 112.2 | Q284 T884 Q885 K890 E891 K892 | Q284-E888 PolarHBondContact NE2-OE2 3.33Å; T884-E888 PolarHBondContact O-N 3.23Å; T884-E888 VanDerWaalsContact O-N 3.09Å; Q885-E888 PolarHBondContact O-N 3.2Å; E888-K890 VanDerWaalsContact C-N 3.32Å; E888-K890 PolarHBondContact O-N 3.21Å; E888-E891 PolarHBondContact O-N 3.33Å; E888-K892 PolarHBondContact O-N 3.31Å |
| 889 | L | 87.4 | Confident | 85.9 | Confident | 9 Ų | 9 | 77.5 Ų | 77.5 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.4 | -40 | 175.8 | -84.3 | 170.7 | 0 | 0 | 0 | 112.1 | I281 Q284 Q285 Q885 K887 N893 | I281-L889 HydrophobicContact CB-CD2 4.49Å; I281-L889 HydrophobicContact CG2-CD2 4.04Å; Q284-L889 HydrophobicContact CB-CD2 3.86Å; Q284-L889 HydrophobicContact CB-CG 4.32Å; Q285-L889 HydrophobicContact CB-CD2 4.42Å; Q885-L889 WeakPolarHBondContact O-CB 3.46Å; Q885-L889 PolarHBondContact O-N 2.97Å; K887-L889 VanDerWaalsContact C-N 3.34Å; K887-L889 PolarHBondContact O-N 3.49Å; L889-N893 WeakPolarHBondContact O-CB 3.12Å; L889-N893 PolarHBondContact O-N 3Å |
| 890 | K | 85.3 | Confident | 85.9 | Confident | 150 Ų | 150 | 79.3 Ų | 79.3 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.8 | -47.9 | 175.1 | -78.9 | 174.6 | -177.1 | 175.7 | 0 | 111.2 | D886 K887 E888 K892 N893 T894 | D886-K890 WeakPolarHBondContact O-CG 3.31Å; D886-K890 PolarHBondContact O-N 3.11Å; D886-K890 VanDerWaalsContact O-N 3.11Å; K887-K890 WeakPolarHBondContact O-CB 2.99Å; K887-K890 PolarHBondContact O-N 3.45Å; E888-K890 VanDerWaalsContact C-N 3.32Å; E888-K890 PolarHBondContact O-N 3.21Å; K890-K892 PolarHBondContact O-N 2.95Å; K890-N893 PolarHBondContact O-N 3.35Å; K890-T894 WeakPolarHBondContact O-CG2 3.37Å; K890-T894 PolarHBondContact O-N 3.2Å |
| 891 | E | 87.4 | Confident | 85.7 | Confident | 104 Ų | 104 | 78.6 Ų | 78.6 | 49% | 0.486 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.2 | -50.3 | 179.5 | -72.3 | 173.5 | -174.1 | 0 | 0 | 111.2 | K887 E888 N893 T894 E895 | K887-E891 VanDerWaalsContact CE-OE1 3.29Å; K887-E891 WeakPolarHBondContact CE-OE1 3.36Å; K887-E891 WeakPolarHBondContact O-CG 3.49Å; K887-E891 PolarHBondContact O-N 2.97Å; E888-E891 PolarHBondContact O-N 3.33Å; E891-N893 PolarHBondContact O-N 2.95Å; E891-T894 PolarHBondContact O-N 2.82Å; E891-T894 VanDerWaalsContact O-N 3.14Å; E891-T894 PolarHBondContact O-OG1 3.49Å; E891-E895 PolarHBondContact O-N 2.97Å; E891-E895 VanDerWaalsContact O-N 3.1Å |
| 892 | K | 86.8 | Confident | 85.6 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 20% | 0.204 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 176.9 | -68.7 | -172.6 | -177.4 | -178.5 | 0 | 113.4 | I281 E888 K890 T894 E895 V896 | I281-K892 HydrophobicContact CD1-CB 4.07Å; I281-K892 HydrophobicContact CG1-CB 3.89Å; E888-K892 PolarHBondContact O-N 3.31Å; K890-K892 PolarHBondContact O-N 2.95Å; K892-T894 VanDerWaalsContact C-N 3.34Å; K892-T894 PolarHBondContact O-N 2.95Å; K892-E895 PolarHBondContact O-N 2.88Å; K892-V896 WeakPolarHBondContact O-CG2 3.34Å; K892-V896 PolarHBondContact O-N 3Å |
| 893 | N | 84.5 | Confident | 85.6 | Confident | 70 Ų | 70 | 80.9 Ų | 80.9 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 174.3 | -99.7 | -33.8 | 0 | 0 | 0 | 112.3 | L889 K890 E891 E895 V896 N897 | L889-N893 WeakPolarHBondContact O-CB 3.12Å; L889-N893 PolarHBondContact O-N 3Å; K890-N893 PolarHBondContact O-N 3.35Å; E891-N893 PolarHBondContact O-N 2.95Å; N893-E895 VanDerWaalsContact C-N 3.27Å; N893-E895 PolarHBondContact O-N 3.31Å; N893-V896 PolarHBondContact O-N 3.38Å; N893-N897 WeakPolarHBondContact O-CB 3.33Å; N893-N897 VanDerWaalsContact O-CG 3.28Å; N893-N897 PolarHBondContact O-N 3.41Å; N893-N897 PolarHBondContact O-ND2 3.46Å |
| 894 | T | 86.6 | Confident | 85.4 | Confident | 73 Ų | 73 | 79.3 Ų | 79.3 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -34.8 | 175.2 | 66.3 | 0 | 0 | 0 | 0 | 112 | K890 E891 K892 N897 K898 | K890-T894 WeakPolarHBondContact O-CG2 3.37Å; K890-T894 PolarHBondContact O-N 3.2Å; E891-T894 PolarHBondContact O-N 2.82Å; E891-T894 VanDerWaalsContact O-N 3.14Å; E891-T894 PolarHBondContact O-OG1 3.49Å; K892-T894 VanDerWaalsContact C-N 3.34Å; K892-T894 PolarHBondContact O-N 2.95Å; T894-N897 PolarHBondContact O-N 3.48Å; T894-K898 VanDerWaalsContact O-CG 3.32Å; T894-K898 WeakPolarHBondContact O-CG 3.48Å; T894-K898 PolarHBondContact O-N 3.09Å |
| 895 | E | 85.4 | Confident | 85.2 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 53% | 0.528 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.3 | -42.3 | 178.4 | -166.3 | 140.5 | -147.7 | 0 | 0 | 112.2 | L277 E891 K892 N893 N897 K898 M899 | L277-E895 HydrophobicContact CD1-CG 4.27Å; E891-E895 PolarHBondContact O-N 2.97Å; E891-E895 VanDerWaalsContact O-N 3.1Å; K892-E895 PolarHBondContact O-N 2.88Å; N893-E895 VanDerWaalsContact C-N 3.27Å; N893-E895 PolarHBondContact O-N 3.31Å; E895-N897 VanDerWaalsContact C-N 3.32Å; E895-N897 PolarHBondContact O-N 3.06Å; E895-K898 PolarHBondContact O-N 3.3Å; E895-M899 WeakPolarHBondContact O-CG 3.46Å; E895-M899 PolarHBondContact O-N 3.39Å |
| 896 | V | 86.8 | Confident | 85.1 | Confident | 5 Ų | 5 | 79.6 Ų | 79.6 | 3% | 0.03 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 171.1 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | I274 L277 I281 K892 N893 M899 R900 | I274-V896 HydrophobicContact CG2-CG1 4.28Å; L277-V896 HydrophobicContact CB-CG2 3.57Å; L277-V896 HydrophobicContact CD1-CG2 4.09Å; L277-V896 HydrophobicContact CG-CG2 4.47Å; I281-V896 HydrophobicContact CD1-CG2 3.82Å; K892-V896 WeakPolarHBondContact O-CG2 3.34Å; K892-V896 PolarHBondContact O-N 3Å; N893-V896 PolarHBondContact O-N 3.38Å; V896-M899 PolarHBondContact O-N 3.18Å; V896-R900 HydrophobicContact CG1-CG 4.45Å; V896-R900 WeakPolarHBondContact O-CB 3.35Å; V896-R900 WeakPolarHBondContact O-CG 3.31Å; V896-R900 PolarHBondContact O-N 3.5Å |
| 897 | N | 82.9 | Confident | 85.1 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 42% | 0.417 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 178.8 | -72.9 | -19.8 | 0 | 0 | 0 | 112 | N893 T894 E895 M899 R900 E901 | N893-N897 WeakPolarHBondContact O-CB 3.33Å; N893-N897 VanDerWaalsContact O-CG 3.28Å; N893-N897 PolarHBondContact O-N 3.41Å; N893-N897 PolarHBondContact O-ND2 3.46Å; T894-N897 PolarHBondContact O-N 3.48Å; E895-N897 VanDerWaalsContact C-N 3.32Å; E895-N897 PolarHBondContact O-N 3.06Å; N897-M899 VanDerWaalsContact C-N 3.31Å; N897-M899 PolarHBondContact O-N 2.98Å; N897-R900 PolarHBondContact O-N 3.37Å; N897-E901 WeakPolarHBondContact O-CB 3.43Å; N897-E901 WeakPolarHBondContact O-CG 3.43Å; N897-E901 PolarHBondContact O-N 3.38Å |
| 898 | K | 86.8 | Confident | 84.7 | Confident | 123 Ų | 123 | 79.5 Ų | 79.5 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 174.5 | -76.1 | 172.3 | -178.6 | 173.7 | 0 | 112.5 | T894 E895 E901 K902 | T894-K898 VanDerWaalsContact O-CG 3.32Å; T894-K898 WeakPolarHBondContact O-CG 3.48Å; T894-K898 PolarHBondContact O-N 3.09Å; E895-K898 PolarHBondContact O-N 3.3Å; K898-E901 PolarHBondContact O-N 2.96Å; K898-K902 WeakPolarHBondContact O-CG 2.99Å; K898-K902 PolarHBondContact O-N 3.27Å |
| 899 | M | 85.1 | Confident | 84.4 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 14% | 0.143 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.5 | -36.8 | 178.2 | -65.3 | -64.2 | -97.9 | 0 | 0 | 111.7 | N270 K273 I274 E895 V896 N897 K902 N903 | N270-M899 HydrophobicContact CB-CE 4.4Å; N270-M899 WeakPolarHBondContact OD1-CE 3.49Å; K273-M899 HydrophobicContact CB-CE 4.49Å; K273-M899 HydrophobicContact CD-CE 3.9Å; I274-M899 HydrophobicContact CD1-CB 4.09Å; I274-M899 HydrophobicContact CG1-CB 3.94Å; E895-M899 WeakPolarHBondContact O-CG 3.46Å; E895-M899 PolarHBondContact O-N 3.39Å; V896-M899 PolarHBondContact O-N 3.18Å; N897-M899 VanDerWaalsContact C-N 3.31Å; N897-M899 PolarHBondContact O-N 2.98Å; M899-K902 PolarHBondContact O-N 3.47Å; M899-K902 HydrophobicContact SD-CD 4.19Å; M899-N903 PolarHBondContact O-N 3.07Å |
| 900 | R | 84.6 | Confident | 84 | Confident | 128 Ų | 128 | 79.7 Ų | 79.7 | 48% | 0.483 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 171.2 | -76.2 | 179.4 | 176.1 | -176.3 | -0.2 | 112.4 | I274 V896 N897 N903 N904 | I274-R900 HydrophobicContact CD1-CG 3.8Å; V896-R900 HydrophobicContact CG1-CG 4.45Å; V896-R900 WeakPolarHBondContact O-CB 3.35Å; V896-R900 WeakPolarHBondContact O-CG 3.31Å; V896-R900 PolarHBondContact O-N 3.5Å; N897-R900 PolarHBondContact O-N 3.37Å; R900-N903 PolarHBondContact O-N 3.42Å; R900-N904 VanDerWaalsContact O-CB 3.31Å; R900-N904 WeakPolarHBondContact O-CB 3.29Å; R900-N904 PolarHBondContact O-N 3.01Å; R900-N904 PolarHBondContact O-ND2 3.39Å |
| 901 | E | 84.3 | Confident | 83.8 | Confident | 116 Ų | 116 | 78.2 Ų | 78.2 | 54% | 0.542 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 173.3 | -76.1 | 170.8 | 178.9 | 0 | 0 | 110.7 | N897 K898 N903 N904 E905 | N897-E901 WeakPolarHBondContact O-CB 3.43Å; N897-E901 WeakPolarHBondContact O-CG 3.43Å; N897-E901 PolarHBondContact O-N 3.38Å; K898-E901 PolarHBondContact O-N 2.96Å; E901-N903 VanDerWaalsContact C-N 3.35Å; E901-N903 PolarHBondContact O-N 3.14Å; E901-N904 PolarHBondContact O-N 3.35Å; E901-E905 WeakPolarHBondContact O-CB 3.33Å; E901-E905 WeakPolarHBondContact O-CG 3.26Å; E901-E905 PolarHBondContact O-N 2.99Å |
| 902 | K | 84 | Confident | 83.4 | Confident | 119 Ų | 119 | 78.9 Ų | 78.9 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 174.1 | -72.7 | 176.2 | -178 | 178.2 | 0 | 112.8 | K898 M899 E905 A906 | K898-K902 WeakPolarHBondContact O-CG 2.99Å; K898-K902 PolarHBondContact O-N 3.27Å; M899-K902 PolarHBondContact O-N 3.47Å; M899-K902 HydrophobicContact SD-CD 4.19Å; K902-E905 PolarHBondContact O-N 3.29Å; K902-A906 VanDerWaalsContact O-CB 3.28Å; K902-A906 WeakPolarHBondContact O-CB 3.49Å; K902-A906 PolarHBondContact O-N 3.33Å |
| 903 | N | 86.1 | Confident | 83.1 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | 175.1 | -85.8 | 10 | 0 | 0 | 0 | 111.7 | M267 N270 E271 M899 R900 E901 A906 Q907 | M267-N903 HydrophobicContact CE-CB 4.28Å; M267-N903 PolarHBondContact O-ND2 3.45Å; N270-N903 WeakPolarHBondContact CB-OD1 3.12Å; N270-N903 PolarHBondContact ND2-OD1 2.98Å; E271-N903 PolarHBondContact OE2-ND2 3.49Å; M899-N903 PolarHBondContact O-N 3.07Å; R900-N903 PolarHBondContact O-N 3.42Å; E901-N903 VanDerWaalsContact C-N 3.35Å; E901-N903 PolarHBondContact O-N 3.14Å; N903-A906 PolarHBondContact O-N 3.44Å; N903-Q907 WeakPolarHBondContact O-CB 3.45Å; N903-Q907 PolarHBondContact O-N 2.85Å |
| 904 | N | 81.3 | Confident | 82.7 | Confident | 101 Ų | 101 | 78.5 Ų | 78.5 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.9 | -42 | 175.6 | -74.7 | -24.4 | 0 | 0 | 0 | 111.4 | R900 E901 Q907 L908 | R900-N904 VanDerWaalsContact O-CB 3.31Å; R900-N904 WeakPolarHBondContact O-CB 3.29Å; R900-N904 PolarHBondContact O-N 3.01Å; R900-N904 PolarHBondContact O-ND2 3.39Å; E901-N904 PolarHBondContact O-N 3.35Å; N904-Q907 PolarHBondContact O-N 3.3Å; N904-L908 VanDerWaalsContact O-CB 3.3Å; N904-L908 WeakPolarHBondContact O-CB 3.19Å; N904-L908 WeakPolarHBondContact O-CG 3.33Å; N904-L908 PolarHBondContact O-N 3.27Å |
| 905 | E | 82.9 | Confident | 82.1 | Confident | 106 Ų | 106 | 81 Ų | 81 | 50% | 0.495 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 173.7 | -76.6 | -176.8 | -164.6 | 0 | 0 | 111.8 | E901 K902 Q907 L908 K909 | E901-E905 WeakPolarHBondContact O-CB 3.33Å; E901-E905 WeakPolarHBondContact O-CG 3.26Å; E901-E905 PolarHBondContact O-N 2.99Å; K902-E905 PolarHBondContact O-N 3.29Å; E905-Q907 VanDerWaalsContact C-N 3.34Å; E905-L908 PolarHBondContact O-N 2.92Å; E905-K909 WeakPolarHBondContact O-CB 3.5Å; E905-K909 VanDerWaalsContact O-CG 3.25Å; E905-K909 WeakPolarHBondContact O-CG 3.36Å; E905-K909 PolarHBondContact O-N 3.36Å |
| 906 | A | 82.9 | Confident | 81.5 | Confident | 18 Ų | 18 | 77.4 Ų | 77.4 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M267 K902 N903 K909 I910 | M267-A906 HydrophobicContact CG-CB 3.75Å; M267-A906 HydrophobicContact SD-CB 3.86Å; K902-A906 VanDerWaalsContact O-CB 3.28Å; K902-A906 WeakPolarHBondContact O-CB 3.49Å; K902-A906 PolarHBondContact O-N 3.33Å; N903-A906 PolarHBondContact O-N 3.44Å; A906-K909 CarbonylContact O-C 3.48Å; A906-K909 PolarHBondContact O-N 3.33Å; A906-I910 WeakPolarHBondContact O-CB 3.21Å; A906-I910 VanDerWaalsContact O-CG1 3.25Å; A906-I910 WeakPolarHBondContact O-CG1 3.42Å; A906-I910 PolarHBondContact O-N 3.24Å |
| 907 | Q | 81.4 | Confident | 80.9 | Confident | 70 Ų | 70 | 78.1 Ų | 78.1 | 33% | 0.327 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 177.9 | -168.8 | 64.8 | 4.2 | 0 | 0 | 112.2 | M267 N903 N904 E905 I910 K911 | M267-Q907 HydrophobicContact CE-CB 3.89Å; M267-Q907 HydrophobicContact CE-CG 4.35Å; M267-Q907 HydrophobicContact SD-CB 4.09Å; M267-Q907 PolarHBondContact SD-OE1 3.27Å; N903-Q907 WeakPolarHBondContact O-CB 3.45Å; N903-Q907 PolarHBondContact O-N 2.85Å; N904-Q907 PolarHBondContact O-N 3.3Å; E905-Q907 VanDerWaalsContact C-N 3.34Å; Q907-I910 PolarHBondContact O-N 2.92Å; Q907-K911 WeakPolarHBondContact O-CB 3.42Å; Q907-K911 VanDerWaalsContact O-CG 3.29Å; Q907-K911 WeakPolarHBondContact O-CG 3.23Å; Q907-K911 PolarHBondContact O-N 3.42Å |
| 908 | L | 79.4 | Confident | 80.5 | Confident | 115 Ų | 115 | 79.5 Ų | 79.5 | 60% | 0.602 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 173 | -74.8 | 169.7 | 0 | 0 | 0 | 110.4 | N904 E905 K911 E912 | N904-L908 VanDerWaalsContact O-CB 3.3Å; N904-L908 WeakPolarHBondContact O-CB 3.19Å; N904-L908 WeakPolarHBondContact O-CG 3.33Å; N904-L908 PolarHBondContact O-N 3.27Å; E905-L908 PolarHBondContact O-N 2.92Å; L908-K911 PolarHBondContact O-N 3.04Å; L908-E912 VanDerWaalsContact O-CB 3.22Å; L908-E912 WeakPolarHBondContact O-CB 3.39Å; L908-E912 PolarHBondContact O-N 2.67Å |
| 909 | K | 79.8 | Confident | 79.6 | Confident | 103 Ų | 103 | 78.1 Ų | 78.1 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 174.4 | -74.5 | 169.5 | -176.4 | 164.8 | 0 | 112.2 | E905 A906 E912 L913 | E905-K909 WeakPolarHBondContact O-CB 3.5Å; E905-K909 VanDerWaalsContact O-CG 3.25Å; E905-K909 WeakPolarHBondContact O-CG 3.36Å; E905-K909 PolarHBondContact O-N 3.36Å; A906-K909 CarbonylContact O-C 3.48Å; A906-K909 PolarHBondContact O-N 3.33Å; K909-E912 PolarHBondContact O-N 2.85Å; K909-L913 VanDerWaalsContact O-CB 3.26Å; K909-L913 WeakPolarHBondContact O-CB 3.27Å; K909-L913 WeakPolarHBondContact O-CG 3.5Å; K909-L913 PolarHBondContact O-N 3.42Å |
| 910 | I | 80.9 | Confident | 78.8 | Confident | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -49.9 | 172.7 | -74 | 164.6 | 0 | 0 | 0 | 109 | I260 M263 Q264 M267 A906 Q907 E912 L913 E914 | I260-I910 HydrophobicContact CG2-CG2 4.28Å; M263-I910 HydrophobicContact CB-CD1 3.82Å; M263-I910 HydrophobicContact CB-CG1 3.82Å; Q264-I910 HydrophobicContact CG-CD1 3.84Å; M267-I910 HydrophobicContact SD-CD1 3.62Å; A906-I910 WeakPolarHBondContact O-CB 3.21Å; A906-I910 VanDerWaalsContact O-CG1 3.25Å; A906-I910 WeakPolarHBondContact O-CG1 3.42Å; A906-I910 PolarHBondContact O-N 3.24Å; Q907-I910 PolarHBondContact O-N 2.92Å; I910-E912 VanDerWaalsContact C-N 3.27Å; I910-E912 PolarHBondContact O-N 3.35Å; I910-L913 CarbonylContact O-C 3.52Å; I910-L913 PolarHBondContact O-N 3.49Å; I910-L913 VanDerWaalsContact O-N 3.15Å; I910-E914 HydrophobicContact CG2-CG 4Å; I910-E914 WeakPolarHBondContact CG2-OE1 3Å; I910-E914 VanDerWaalsContact O-CB 3.29Å; I910-E914 WeakPolarHBondContact O-CB 3.42Å; I910-E914 VanDerWaalsContact O-CG 3.26Å; I910-E914 WeakPolarHBondContact O-CG 3.37Å; I910-E914 PolarHBondContact O-N 2.86Å |
| 911 | K | 79.4 | Confident | 78.2 | Confident | 119 Ų | 119 | 77.1 Ų | 77.1 | 52% | 0.517 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -35.4 | 176.7 | -75.8 | 178.6 | 179.9 | -179.5 | 0 | 112.6 | Q907 L908 H915 | Q907-K911 WeakPolarHBondContact O-CB 3.42Å; Q907-K911 VanDerWaalsContact O-CG 3.29Å; Q907-K911 WeakPolarHBondContact O-CG 3.23Å; Q907-K911 PolarHBondContact O-N 3.42Å; L908-K911 PolarHBondContact O-N 3.04Å; K911-H915 WeakPolarHBondContact O-CA 3.42Å; K911-H915 WeakPolarHBondContact O-CB 3.23Å; K911-H915 PolarHBondContact O-N 3.25Å |
| 912 | E | 79.6 | Confident | 77.4 | Confident | 118 Ų | 118 | 77.8 Ų | 77.8 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.4 | -44.9 | 174.2 | -177.1 | 177.7 | -167.7 | 0 | 0 | 110.5 | L908 K909 I910 H915 N916 | L908-E912 VanDerWaalsContact O-CB 3.22Å; L908-E912 WeakPolarHBondContact O-CB 3.39Å; L908-E912 PolarHBondContact O-N 2.67Å; K909-E912 PolarHBondContact O-N 2.85Å; I910-E912 VanDerWaalsContact C-N 3.27Å; I910-E912 PolarHBondContact O-N 3.35Å; E912-H915 PolarHBondContact O-N 3.05Å; E912-N916 WeakPolarHBondContact O-CB 3.46Å; E912-N916 PolarHBondContact O-N 3.38Å; E912-N916 PolarHBondContact O-ND2 2.98Å |
| 913 | L | 79.6 | Confident | 76.5 | Confident | 34 Ų | 34 | 74.8 Ų | 74.8 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.3 | -37.9 | 175.5 | -72.9 | 172.1 | 0 | 0 | 0 | 112.2 | M256 N259 I260 M263 K909 I910 N916 I917 | M256-L913 HydrophobicContact CG-CD2 4.48Å; N259-L913 HydrophobicContact CB-CD1 4.49Å; I260-L913 HydrophobicContact CD1-CB 4.01Å; I260-L913 HydrophobicContact CG1-CB 3.9Å; I260-L913 HydrophobicContact CG1-CD1 4.29Å; M263-L913 HydrophobicContact SD-CD1 4.4Å; K909-L913 VanDerWaalsContact O-CB 3.26Å; K909-L913 WeakPolarHBondContact O-CB 3.27Å; K909-L913 WeakPolarHBondContact O-CG 3.5Å; K909-L913 PolarHBondContact O-N 3.42Å; I910-L913 CarbonylContact O-C 3.52Å; I910-L913 PolarHBondContact O-N 3.49Å; I910-L913 VanDerWaalsContact O-N 3.15Å; L913-N916 CarbonylContact O-C 3.48Å; L913-N916 PolarHBondContact O-N 3.4Å; L913-I917 VanDerWaalsContact O-CB 3.28Å; L913-I917 WeakPolarHBondContact O-CB 3.47Å; L913-I917 WeakPolarHBondContact O-CG1 3.49Å; L913-I917 PolarHBondContact O-N 2.89Å |
| 914 | E | 77 | Confident | 75.6 | Confident | 75 Ų | 75 | 76 Ų | 76 | 35% | 0.35 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.3 | -40.9 | 174.4 | -75.7 | 176.3 | 168.5 | 0 | 0 | 110.7 | I260 I910 N916 I917 N918 | I260-E914 HydrophobicContact CD1-CG 3.68Å; I910-E914 HydrophobicContact CG2-CG 4Å; I910-E914 WeakPolarHBondContact CG2-OE1 3Å; I910-E914 VanDerWaalsContact O-CB 3.29Å; I910-E914 WeakPolarHBondContact O-CB 3.42Å; I910-E914 VanDerWaalsContact O-CG 3.26Å; I910-E914 WeakPolarHBondContact O-CG 3.37Å; I910-E914 PolarHBondContact O-N 2.86Å; E914-N916 VanDerWaalsContact C-N 3.34Å; E914-I917 PolarHBondContact O-N 3.35Å; E914-N918 VanDerWaalsContact O-CB 3.3Å; E914-N918 WeakPolarHBondContact O-CB 3.38Å; E914-N918 PolarHBondContact O-N 3.31Å |
| 915 | H | 74 | Confident | 75 | Confident | 124 Ų | 124 | 76.1 Ų | 76.1 | 57% | 0.574 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.9 | -40.9 | 171.2 | -176.5 | 68.7 | 0 | 0 | 0 | 110.2 | K911 E912 N918 K919 | K911-H915 WeakPolarHBondContact O-CA 3.42Å; K911-H915 WeakPolarHBondContact O-CB 3.23Å; K911-H915 PolarHBondContact O-N 3.25Å; E912-H915 PolarHBondContact O-N 3.05Å; H915-N918 PolarHBondContact O-N 3.18Å; H915-K919 WeakPolarHBondContact O-CA 3.34Å; H915-K919 WeakPolarHBondContact O-CB 3.47Å; H915-K919 PolarHBondContact O-N 3.02Å |
| 916 | N | 73.3 | Confident | 74 | Confident | 39 Ų | 39 | 73.7 Ų | 73.7 | 21% | 0.209 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.9 | -33 | 176 | -72.4 | -27.1 | 0 | 0 | 0 | 111.9 | M256 E912 L913 E914 K919 H920 | M256-N916 HydrophobicContact SD-CB 4.49Å; E912-N916 WeakPolarHBondContact O-CB 3.46Å; E912-N916 PolarHBondContact O-N 3.38Å; E912-N916 PolarHBondContact O-ND2 2.98Å; L913-N916 CarbonylContact O-C 3.48Å; L913-N916 PolarHBondContact O-N 3.4Å; E914-N916 VanDerWaalsContact C-N 3.34Å; N916-K919 CarbonylContact O-C 3.59Å; N916-H920 WeakPolarHBondContact O-CA 3.48Å; N916-H920 WeakPolarHBondContact O-CB 3.42Å; N916-H920 PolarHBondContact O-CD2 3.45Å; N916-H920 PolarHBondContact O-N 2.96Å |
| 917 | I | 74.5 | Confident | 73.1 | Confident | 19 Ų | 19 | 73.2 Ų | 73.2 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.1 | -50.2 | 172.6 | -78.7 | 170.6 | 0 | 0 | 0 | 109.2 | L253 M256 Q257 I260 L913 E914 K919 H920 H921 | L253-I917 HydrophobicContact CD2-CG2 3.94Å; M256-I917 HydrophobicContact CB-CD1 3.85Å; M256-I917 HydrophobicContact CB-CG1 3.72Å; M256-I917 HydrophobicContact SD-CG1 4.41Å; Q257-I917 HydrophobicContact CG-CD1 3.93Å; I260-I917 HydrophobicContact CD1-CD1 3.3Å; I260-I917 HydrophobicContact CG1-CD1 4.42Å; L913-I917 VanDerWaalsContact O-CB 3.28Å; L913-I917 WeakPolarHBondContact O-CB 3.47Å; L913-I917 WeakPolarHBondContact O-CG1 3.49Å; L913-I917 PolarHBondContact O-N 2.89Å; E914-I917 PolarHBondContact O-N 3.35Å; I917-K919 PolarHBondContact O-N 3Å; I917-H920 PolarHBondContact O-N 3.32Å; I917-H921 WeakPolarHBondContact O-CA 3.31Å; I917-H921 WeakPolarHBondContact O-CB 3.4Å; I917-H921 PolarHBondContact O-N 3.38Å |
| 918 | N | 72.9 | Confident | 72.3 | Confident | 107 Ų | 107 | 71.2 Ų | 71.2 | 57% | 0.572 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.3 | -34.5 | 175.3 | -85.8 | -16.2 | 0 | 0 | 0 | 111.2 | E914 H915 K922 | E914-N918 VanDerWaalsContact O-CB 3.3Å; E914-N918 WeakPolarHBondContact O-CB 3.38Å; E914-N918 PolarHBondContact O-N 3.31Å; H915-N918 PolarHBondContact O-N 3.18Å; N918-K922 WeakPolarHBondContact O-CA 3.43Å; N918-K922 WeakPolarHBondContact O-CB 3.06Å; N918-K922 PolarHBondContact O-N 2.98Å |
| 919 | K | 69.4 | Low | 71.6 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73 | -39.1 | 175.8 | -174.5 | -169.9 | -175.8 | -134.3 | 0 | 110.9 | H915 N916 I917 K922 E923 | H915-K919 WeakPolarHBondContact O-CA 3.34Å; H915-K919 WeakPolarHBondContact O-CB 3.47Å; H915-K919 PolarHBondContact O-N 3.02Å; N916-K919 CarbonylContact O-C 3.59Å; I917-K919 PolarHBondContact O-N 3Å; K919-K922 CarbonylContact O-C 3.36Å; K919-E923 WeakPolarHBondContact CE-OE1 3.49Å; K919-E923 HydrophobicContact CG-CG 4.12Å; K919-E923 WeakPolarHBondContact CG-OE1 3.28Å; K919-E923 IonicContact NZ-OE1 2.89Å; K919-E923 PolarHBondContact NZ-OE1 3.46Å; K919-E923 VanDerWaalsContact NZ-OE1 3.08Å; K919-E923 VanDerWaalsContact O-CA 3.28Å; K919-E923 WeakPolarHBondContact O-CA 3.39Å; K919-E923 WeakPolarHBondContact O-CB 3.33Å; K919-E923 WeakPolarHBondContact O-CG 3.47Å; K919-E923 PolarHBondContact O-N 3.47Å |
| 920 | H | 68.1 | Low | 70.8 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 18% | 0.181 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -76.7 | -30.6 | 175.8 | -75.6 | -47.6 | 0 | 0 | 0 | 112.1 | L253 N916 I917 E923 S924 | L253-H920 HydrophobicContact CD1-CB 4.45Å; N916-H920 WeakPolarHBondContact O-CA 3.48Å; N916-H920 WeakPolarHBondContact O-CB 3.42Å; N916-H920 PolarHBondContact O-CD2 3.45Å; N916-H920 PolarHBondContact O-N 2.96Å; I917-H920 PolarHBondContact O-N 3.32Å; H920-E923 IonicContact CE1-OE2 3.87Å; H920-E923 PolarHBondContact CE1-OE2 2.86Å; H920-E923 IonicContact CG-OE2 3.43Å; H920-E923 IonicContact ND1-OE2 3.08Å; H920-E923 PolarHBondContact ND1-OE2 3.1Å; H920-S924 WeakPolarHBondContact O-CB 3.24Å; H920-S924 PolarHBondContact O-N 2.88Å |
| 921 | H | 71.4 | Confident | 70 | Confident | 98 Ų | 98 | 69 Ų | 69 | 45% | 0.454 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.3 | -48.9 | 171.9 | -169.9 | 56.4 | 0 | 0 | 0 | 109.9 | L253 I917 S924 Q925 | L253-H921 HydrophobicContact CD1-CB 4.06Å; I917-H921 WeakPolarHBondContact O-CA 3.31Å; I917-H921 WeakPolarHBondContact O-CB 3.4Å; I917-H921 PolarHBondContact O-N 3.38Å; H921-S924 WeakPolarHBondContact O-CB 3.23Å; H921-S924 PolarHBondContact O-N 2.78Å; H921-Q925 VanDerWaalsContact O-CB 3.23Å; H921-Q925 WeakPolarHBondContact O-CB 3.18Å; H921-Q925 PolarHBondContact O-N 3.43Å |
| 922 | K | 66.9 | Low | 69.3 | Low | 129 Ų | 129 | 66.2 Ų | 66.2 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -72.4 | -23.6 | 172.4 | -163 | -177.4 | 177.1 | 179.4 | 0 | 112.5 | N918 K919 D926 | N918-K922 WeakPolarHBondContact O-CA 3.43Å; N918-K922 WeakPolarHBondContact O-CB 3.06Å; N918-K922 PolarHBondContact O-N 2.98Å; K919-K922 CarbonylContact O-C 3.36Å; K922-D926 WeakPolarHBondContact CE-OD2 2.95Å; K922-D926 WeakPolarHBondContact CG-OD2 3.49Å; K922-D926 WeakPolarHBondContact O-CA 3.45Å; K922-D926 WeakPolarHBondContact O-CB 3.28Å; K922-D926 PolarHBondContact O-N 3.38Å |
| 923 | E | 65.4 | Low | 68.4 | Low | 57 Ų | 57 | 64.9 Ų | 64.9 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -80.5 | -29 | 171.8 | -82.7 | 166.5 | 178.5 | 0 | 0 | 109.6 | K919 H920 A927 | K919-E923 WeakPolarHBondContact CE-OE1 3.49Å; K919-E923 HydrophobicContact CG-CG 4.12Å; K919-E923 WeakPolarHBondContact CG-OE1 3.28Å; K919-E923 IonicContact NZ-OE1 2.89Å; K919-E923 PolarHBondContact NZ-OE1 3.46Å; K919-E923 VanDerWaalsContact NZ-OE1 3.08Å; K919-E923 VanDerWaalsContact O-CA 3.28Å; K919-E923 WeakPolarHBondContact O-CA 3.39Å; K919-E923 WeakPolarHBondContact O-CB 3.33Å; K919-E923 WeakPolarHBondContact O-CG 3.47Å; K919-E923 PolarHBondContact O-N 3.47Å; H920-E923 IonicContact CE1-OE2 3.87Å; H920-E923 PolarHBondContact CE1-OE2 2.86Å; H920-E923 IonicContact CG-OE2 3.43Å; H920-E923 IonicContact ND1-OE2 3.08Å; H920-E923 PolarHBondContact ND1-OE2 3.1Å; E923-A927 VanDerWaalsContact O-CA 3.3Å; E923-A927 WeakPolarHBondContact O-CA 3.29Å; E923-A927 WeakPolarHBondContact O-CB 3.32Å; E923-A927 PolarHBondContact O-N 3.26Å |
| 924 | S | 68.3 | Low | 67.6 | Low | 29 Ų | 29 | 63.7 Ų | 63.7 | 20% | 0.203 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.8 | -42.3 | 170.9 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | H920 H921 A928 | H920-S924 WeakPolarHBondContact O-CB 3.24Å; H920-S924 PolarHBondContact O-N 2.88Å; H921-S924 WeakPolarHBondContact O-CB 3.23Å; H921-S924 PolarHBondContact O-N 2.78Å; S924-A928 WeakPolarHBondContact O-CB 3.26Å; S924-A928 PolarHBondContact O-N 3.01Å |
| 925 | Q | 67 | Low | 66.9 | Low | 104 Ų | 104 | 62.1 Ų | 62.1 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -76.8 | -48.1 | 178.7 | -166.4 | 149.1 | -2.4 | 0 | 0 | 111.3 | H921 A927 A928 D929 | H921-Q925 VanDerWaalsContact O-CB 3.23Å; H921-Q925 WeakPolarHBondContact O-CB 3.18Å; H921-Q925 PolarHBondContact O-N 3.43Å; Q925-A927 PolarHBondContact O-N 2.99Å; Q925-A928 CarbonylContact O-C 3.49Å; Q925-A928 WeakPolarHBondContact O-CA 3.45Å; Q925-A928 WeakPolarHBondContact O-CB 3.27Å; Q925-A928 PolarHBondContact O-N 2.91Å; Q925-A928 VanDerWaalsContact O-N 3.09Å; Q925-D929 VanDerWaalsContact O-CB 3.31Å; Q925-D929 WeakPolarHBondContact O-CB 3.37Å; Q925-D929 PolarHBondContact O-N 2.85Å |
| 926 | D | 63.3 | Low | 66.1 | Low | 56 Ų | 56 | 62.9 Ų | 62.9 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -33.6 | 167.6 | -70 | -26.7 | 0 | 0 | 0 | 111 | K922 A928 D929 K930 R933 | K922-D926 WeakPolarHBondContact CE-OD2 2.95Å; K922-D926 WeakPolarHBondContact CG-OD2 3.49Å; K922-D926 WeakPolarHBondContact O-CA 3.45Å; K922-D926 WeakPolarHBondContact O-CB 3.28Å; K922-D926 PolarHBondContact O-N 3.38Å; D926-A928 VanDerWaalsContact C-N 3.3Å; D926-D929 PolarHBondContact O-N 2.79Å; D926-K930 WeakPolarHBondContact O-CA 3.49Å; D926-K930 WeakPolarHBondContact O-CB 3.29Å; D926-K930 PolarHBondContact O-N 2.9Å; D926-R933 IonicContact OD1-NH2 2.87Å |
| 927 | A | 63.2 | Low | 64.9 | Low | 8 Ų | 8 | 66.9 Ų | 66.9 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.7 | -36 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | K246 E923 Q925 V931 | K246-A927 HydrophobicContact CB-CB 4.34Å; E923-A927 VanDerWaalsContact O-CA 3.3Å; E923-A927 WeakPolarHBondContact O-CA 3.29Å; E923-A927 WeakPolarHBondContact O-CB 3.32Å; E923-A927 PolarHBondContact O-N 3.26Å; Q925-A927 PolarHBondContact O-N 2.99Å; A927-V931 VanDerWaalsContact O-CB 3.23Å; A927-V931 WeakPolarHBondContact O-CB 3.37Å; A927-V931 WeakPolarHBondContact O-CG2 3.17Å; A927-V931 PolarHBondContact O-N 2.99Å |
| 928 | A | 64.6 | Low | 64 | Low | 27 Ų | 27 | 68.8 Ų | 68.8 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.1 | -46.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | K246 S924 Q925 D926 S932 | K246-A928 HydrophobicContact CD-CB 4.21Å; S924-A928 WeakPolarHBondContact O-CB 3.26Å; S924-A928 PolarHBondContact O-N 3.01Å; Q925-A928 CarbonylContact O-C 3.49Å; Q925-A928 WeakPolarHBondContact O-CA 3.45Å; Q925-A928 WeakPolarHBondContact O-CB 3.27Å; Q925-A928 PolarHBondContact O-N 2.91Å; Q925-A928 VanDerWaalsContact O-N 3.09Å; D926-A928 VanDerWaalsContact C-N 3.3Å; A928-S932 WeakPolarHBondContact O-CB 3.09Å; A928-S932 PolarHBondContact O-N 2.99Å |
| 929 | D | 65.4 | Low | 63.2 | Low | 72 Ų | 72 | 69.9 Ų | 69.9 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75.5 | -30.8 | -178.9 | -63.4 | -19.8 | 0 | 0 | 0 | 111.4 | Q925 D926 S932 R933 | Q925-D929 VanDerWaalsContact O-CB 3.31Å; Q925-D929 WeakPolarHBondContact O-CB 3.37Å; Q925-D929 PolarHBondContact O-N 2.85Å; D926-D929 PolarHBondContact O-N 2.79Å; D929-S932 CarbonylContact O-C 3.51Å; D929-S932 PolarHBondContact O-N 2.91Å; D929-R933 WeakPolarHBondContact O-CA 3.33Å; D929-R933 WeakPolarHBondContact O-CB 3.49Å; D929-R933 PolarHBondContact O-N 2.9Å |
| 930 | K | 63.3 | Low | 62.9 | Low | 77 Ų | 77 | 68.7 Ų | 68.7 | 34% | 0.335 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -80.2 | -32.9 | 176.5 | -175.3 | 176.8 | -174.3 | 176.6 | 0 | 110.1 | D926 S932 M934 | D926-K930 WeakPolarHBondContact O-CA 3.49Å; D926-K930 WeakPolarHBondContact O-CB 3.29Å; D926-K930 PolarHBondContact O-N 2.9Å; K930-S932 VanDerWaalsContact C-N 3.31Å; K930-M934 HydrophobicContact CD-SD 4.19Å; K930-M934 HydrophobicContact CG-CG 3.74Å; K930-M934 HydrophobicContact CG-SD 3.52Å; K930-M934 VanDerWaalsContact CG-SD 3.52Å; K930-M934 WeakPolarHBondContact O-CA 3.27Å; K930-M934 WeakPolarHBondContact O-CB 3.37Å; K930-M934 WeakPolarHBondContact O-CG 3.38Å; K930-M934 PolarHBondContact O-N 2.69Å |
| 931 | V | 63.1 | Low | 62.6 | Low | 24 Ų | 24 | 66.9 Ų | 66.9 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 162.9 | 168.1 | 0 | 0 | 0 | 0 | 108.9 | A242 E243 A927 L935 | A242-V931 HydrophobicContact CB-CG2 3.87Å; E243-V931 HydrophobicContact CG-CG2 4.34Å; A927-V931 VanDerWaalsContact O-CB 3.23Å; A927-V931 WeakPolarHBondContact O-CB 3.37Å; A927-V931 WeakPolarHBondContact O-CG2 3.17Å; A927-V931 PolarHBondContact O-N 2.99Å; V931-L935 HydrophobicContact CG1-CD1 4.19Å; V931-L935 WeakPolarHBondContact O-CD1 3.42Å; V931-L935 WeakPolarHBondContact O-CG 3.24Å; V931-L935 PolarHBondContact O-N 2.97Å |
| 932 | S | 65.5 | Low | 62.1 | Low | 61 Ų | 61 | 68.5 Ų | 68.5 | 43% | 0.427 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 178.8 | -148.3 | 0 | 0 | 0 | 0 | 113.5 | A928 D929 K930 L935 E936 | A928-S932 WeakPolarHBondContact O-CB 3.09Å; A928-S932 PolarHBondContact O-N 2.99Å; D929-S932 CarbonylContact O-C 3.51Å; D929-S932 PolarHBondContact O-N 2.91Å; K930-S932 VanDerWaalsContact C-N 3.31Å; S932-L935 WeakPolarHBondContact O-CB 3.41Å; S932-L935 PolarHBondContact O-N 3.43Å; S932-E936 WeakPolarHBondContact O-CG 3.4Å; S932-E936 PolarHBondContact O-N 2.92Å |
| 933 | R | 60.3 | Low | 61.5 | Low | 90 Ų | 90 | 66 Ų | 66 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -85.7 | -34.3 | -173.8 | -167.7 | -163.1 | -32.2 | 151 | 6.2 | 112.2 | D926 D929 L935 E936 E937 | D926-R933 IonicContact OD1-NH2 2.87Å; D929-R933 WeakPolarHBondContact O-CA 3.33Å; D929-R933 WeakPolarHBondContact O-CB 3.49Å; D929-R933 PolarHBondContact O-N 2.9Å; R933-L935 PolarHBondContact O-N 3.44Å; R933-E936 CarbonylContact O-C 3.56Å; R933-E936 PolarHBondContact O-N 2.8Å; R933-E937 VanDerWaalsContact CD-CD 3.43Å; R933-E937 WeakPolarHBondContact CD-OE1 3.26Å; R933-E937 VanDerWaalsContact CG-CD 3.4Å; R933-E937 HydrophobicContact CG-CG 3.77Å; R933-E937 WeakPolarHBondContact CG-OE1 3.43Å; R933-E937 WeakPolarHBondContact O-CB 3.49Å; R933-E937 PolarHBondContact O-N 3.04Å |
| 934 | M | 63.3 | Low | 61.3 | Low | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -26.9 | 168.4 | -69.2 | 174.7 | 91.1 | 0 | 0 | 110.9 | V235 L238 F239 K930 E936 I941 | V235-M934 HydrophobicContact CG1-CE 3.7Å; V235-M934 WeakPolarHBondContact O-CE 3.44Å; L238-M934 HydrophobicContact CB-CE 4.33Å; F239-M934 HydrophobicContact CB-CE 3.89Å; F239-M934 HydrophobicContact CB-SD 4.26Å; F239-M934 HydrophobicContact CD2-CB 3.9Å; F239-M934 HydrophobicContact CD2-SD 4.1Å; F239-M934 HydrophobicContact CE2-CB 4.35Å; K930-M934 HydrophobicContact CD-SD 4.19Å; K930-M934 HydrophobicContact CG-CG 3.74Å; K930-M934 HydrophobicContact CG-SD 3.52Å; K930-M934 VanDerWaalsContact CG-SD 3.52Å; K930-M934 WeakPolarHBondContact O-CA 3.27Å; K930-M934 WeakPolarHBondContact O-CB 3.37Å; K930-M934 WeakPolarHBondContact O-CG 3.38Å; K930-M934 PolarHBondContact O-N 2.69Å; M934-E936 VanDerWaalsContact C-N 3.31Å; M934-I941 HydrophobicContact CB-CD1 4.01Å; M934-I941 HydrophobicContact CE-CD1 4.25Å |
| 935 | L | 61.9 | Low | 61 | Low | 43 Ų | 43 | 70.3 Ų | 70.3 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -73.3 | -20.8 | 170 | -67.4 | 164.7 | 0 | 0 | 0 | 113 | F239 V931 S932 R933 I941 H942 | F239-L935 HydrophobicContact CE2-CD2 3.99Å; F239-L935 HydrophobicContact CE2-CG 3.97Å; F239-L935 HydrophobicContact CZ-CD2 3.83Å; F239-L935 HydrophobicContact CZ-CG 4.22Å; V931-L935 HydrophobicContact CG1-CD1 4.19Å; V931-L935 WeakPolarHBondContact O-CD1 3.42Å; V931-L935 WeakPolarHBondContact O-CG 3.24Å; V931-L935 PolarHBondContact O-N 2.97Å; S932-L935 WeakPolarHBondContact O-CB 3.41Å; S932-L935 PolarHBondContact O-N 3.43Å; R933-L935 PolarHBondContact O-N 3.44Å; L935-I941 HydrophobicContact CD2-CG2 4.37Å; L935-H942 VanDerWaalsContact CD2-ND1 3.33Å; L935-H942 WeakPolarHBondContact CD2-ND1 3.34Å |
| 936 | E | 56.5 | Low | 60.7 | Low | 139 Ų | 139 | 72.3 Ų | 72.3 | 65% | 0.65 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -100.3 | -40.2 | 179.6 | -72.1 | 172.1 | -178 | 0 | 0 | 114.6 | S932 R933 M934 | S932-E936 WeakPolarHBondContact O-CG 3.4Å; S932-E936 PolarHBondContact O-N 2.92Å; R933-E936 CarbonylContact O-C 3.56Å; R933-E936 PolarHBondContact O-N 2.8Å; M934-E936 VanDerWaalsContact C-N 3.31Å |
| 937 | E | 48 | Very low | 60.5 | Low | 123 Ų | 123 | 75.7 Ų | 75.7 | 58% | 0.575 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -84.2 | -20.7 | -174.8 | -78.8 | 177.7 | 168.7 | 0 | 0 | 113.3 | R933 | R933-E937 VanDerWaalsContact CD-CD 3.43Å; R933-E937 WeakPolarHBondContact CD-OE1 3.26Å; R933-E937 VanDerWaalsContact CG-CD 3.4Å; R933-E937 HydrophobicContact CG-CG 3.77Å; R933-E937 WeakPolarHBondContact CG-OE1 3.43Å; R933-E937 WeakPolarHBondContact O-CB 3.49Å; R933-E937 PolarHBondContact O-N 3.04Å |
| 938 | H | 56.6 | Low | 60.6 | Low | 60 Ų | 60 | 76.3 Ų | 76.3 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | trans | -129.1 | 76.4 | -176 | -69.6 | -24.4 | 0 | 0 | 0 | 107.7 | W940 I941 | H938-W940 HydrophobicContact CB-CZ2 4.46Å; H938-W940 AromaticContact CG-NE1 3.6Å; H938-W940 AromaticContact ND1-NE1 3.83Å; H938-W940 PolarHBondContact O-N 3.48Å; H938-I941 HydrophobicContact CB-CB 4.43Å; H938-I941 HydrophobicContact CB-CD1 3.54Å; H938-I941 HydrophobicContact CB-CG1 3.71Å; H938-I941 VanDerWaalsContact O-CB 3.26Å; H938-I941 WeakPolarHBondContact O-CB 3.11Å; H938-I941 PolarHBondContact O-N 3.29Å | ||
| 939 | D | 55.4 | Low | 60.3 | Low | 130 Ų | 130 | 77 Ų | 77 | 70% | 0.695 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -49.8 | -32.3 | 180 | -69.9 | -32 | 0 | 0 | 0 | 112.8 | I941 H942 | D939-I941 PolarHBondContact O-N 3.01Å; D939-H942 WeakPolarHBondContact O-CB 3.47Å; D939-H942 PolarHBondContact O-N 2.86Å; D939-H942 VanDerWaalsContact O-N 3.12Å |
| 940 | W | 63 | Low | 60.1 | Low | 69 Ų | 69 | 78.4 Ų | 78.4 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -21.7 | 176.2 | 66.4 | -89.9 | 0 | 0 | 0 | 113.7 | V235 A236 H938 H942 S943 E944 F948 Y955 | V235-W940 HydrophobicContact CG1-CZ2 4.24Å; A236-W940 HydrophobicContact CB-CH2 4.14Å; A236-W940 HydrophobicContact CB-CZ3 4.5Å; H938-W940 HydrophobicContact CB-CZ2 4.46Å; H938-W940 AromaticContact CG-NE1 3.6Å; H938-W940 AromaticContact ND1-NE1 3.83Å; H938-W940 PolarHBondContact O-N 3.48Å; W940-H942 VanDerWaalsContact C-N 3.32Å; W940-S943 PolarHBondContact O-N 3.03Å; W940-S943 PolarHBondContact O-OG 3.34Å; W940-S943 VanDerWaalsContact O-OG 3.09Å; W940-E944 HydrophobicContact CE3-CB 4.31Å; W940-E944 WeakPolarHBondContact O-CB 3.35Å; W940-E944 WeakPolarHBondContact O-CG 3.46Å; W940-E944 PolarHBondContact O-N 3.41Å; W940-F948 HydrophobicContact CE3-CE1 4.44Å; W940-F948 HydrophobicContact CE3-CZ 4.23Å; W940-F948 HydrophobicContact CH2-CZ 4.27Å; W940-F948 AromaticContact CZ3-CE1 3.76Å; W940-F948 HydrophobicContact CZ3-CE1 3.76Å; W940-F948 AromaticContact CZ3-CZ 3.58Å; W940-F948 HydrophobicContact CZ3-CZ 3.58Å; W940-Y955 HydrophobicContact CH2-CE1 4.19Å; W940-Y955 AromaticContact CZ3-CE1 3.95Å; W940-Y955 HydrophobicContact CZ3-CE1 3.95Å; W940-Y955 HydrophobicContact CZ3-CE2 4.38Å; W940-Y955 AromaticContact CZ3-CZ 3.63Å; W940-Y955 VanDerWaalsContact CZ3-OH 3.25Å; W940-Y955 WeakPolarHBondContact CZ3-OH 3.45Å |
| 941 | I | 62.7 | Low | 59.8 | Low | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -34.7 | 173.9 | -66.8 | -178.2 | 0 | 0 | 0 | 110.4 | F239 M934 L935 H938 D939 R945 F948 | F239-I941 HydrophobicContact CD1-CG2 4.35Å; F239-I941 HydrophobicContact CD2-CG2 4.09Å; F239-I941 HydrophobicContact CE1-CG2 4.29Å; F239-I941 HydrophobicContact CE2-CG2 4.03Å; F239-I941 HydrophobicContact CG-CG2 4.27Å; F239-I941 HydrophobicContact CZ-CG2 4.13Å; M934-I941 HydrophobicContact CB-CD1 4.01Å; M934-I941 HydrophobicContact CE-CD1 4.25Å; L935-I941 HydrophobicContact CD2-CG2 4.37Å; H938-I941 HydrophobicContact CB-CB 4.43Å; H938-I941 HydrophobicContact CB-CD1 3.54Å; H938-I941 HydrophobicContact CB-CG1 3.71Å; H938-I941 VanDerWaalsContact O-CB 3.26Å; H938-I941 WeakPolarHBondContact O-CB 3.11Å; H938-I941 PolarHBondContact O-N 3.29Å; D939-I941 PolarHBondContact O-N 3.01Å; I941-R945 WeakPolarHBondContact O-CB 3.37Å; I941-R945 PolarHBondContact O-N 3.33Å; I941-F948 HydrophobicContact CB-CZ 4.4Å; I941-F948 HydrophobicContact CG1-CE2 4.37Å; I941-F948 HydrophobicContact CG1-CZ 4.07Å; I941-F948 HydrophobicContact CG2-CE2 3.97Å; I941-F948 HydrophobicContact CG2-CZ 4.3Å |
| 942 | H | 60.8 | Low | 59.6 | Low | 133 Ų | 133 | 86 Ų | 86 | 62% | 0.616 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.4 | -39.4 | 177.5 | -113.9 | 57.7 | 0 | 0 | 0 | 112.3 | L935 D939 W940 | L935-H942 VanDerWaalsContact CD2-ND1 3.33Å; L935-H942 WeakPolarHBondContact CD2-ND1 3.34Å; D939-H942 WeakPolarHBondContact O-CB 3.47Å; D939-H942 PolarHBondContact O-N 2.86Å; D939-H942 VanDerWaalsContact O-N 3.12Å; W940-H942 VanDerWaalsContact C-N 3.32Å |
| 943 | S | 55 | Low | 59.4 | Low | 76 Ų | 76 | 85.3 Ų | 85.3 | 53% | 0.531 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -82.9 | -30.1 | 178.5 | 51 | 0 | 0 | 0 | 0 | 113.5 | W940 | W940-S943 PolarHBondContact O-N 3.03Å; W940-S943 PolarHBondContact O-OG 3.34Å; W940-S943 VanDerWaalsContact O-OG 3.09Å |
| 944 | E | 60.5 | Low | 59.3 | Low | 64 Ų | 64 | 85.6 Ų | 85.6 | 30% | 0.299 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -104.8 | -3.3 | -172.9 | -58.8 | -177.9 | -178.5 | 0 | 0 | 114.9 | W940 Q946 Y947 F948 Y955 | W940-E944 HydrophobicContact CE3-CB 4.31Å; W940-E944 WeakPolarHBondContact O-CB 3.35Å; W940-E944 WeakPolarHBondContact O-CG 3.46Å; W940-E944 PolarHBondContact O-N 3.41Å; E944-Q946 PolarHBondContact O-N 3.43Å; E944-Y947 HydrophobicContact CB-CD2 4.25Å; E944-Y947 HydrophobicContact CG-CD2 4.48Å; E944-Y947 WeakPolarHBondContact O-CB 3.39Å; E944-Y947 PolarHBondContact O-N 3.41Å; E944-F948 HydrophobicContact CB-CE1 3.92Å; E944-F948 HydrophobicContact CB-CZ 4.46Å; E944-F948 VanDerWaalsContact O-CD1 3.26Å; E944-F948 WeakPolarHBondContact O-CD1 3.41Å; E944-F948 WeakPolarHBondContact O-CE1 3.35Å; E944-Y955 WeakPolarHBondContact OE2-CE2 3.5Å; E944-Y955 PolarHBondContact OE2-OH 3.06Å; E944-Y955 VanDerWaalsContact OE2-OH 3.11Å |
| 945 | R | 62.7 | Low | 59.1 | Low | 112 Ų | 112 | 87.4 Ų | 87.4 | 42% | 0.423 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -51.1 | -32.5 | 178 | -178 | 175.9 | -176.4 | 174.6 | 8.2 | 113.5 | F239 E243 I941 Y947 F948 | F239-R945 HydrophobicContact CE1-CG 4.17Å; E243-R945 IonicContact OE1-NH2 3.5Å; E243-R945 PolarHBondContact OE1-NH2 3.31Å; E243-R945 IonicContact OE2-NH2 3.85Å; E243-R945 PolarHBondContact OE2-NH2 3.19Å; I941-R945 WeakPolarHBondContact O-CB 3.37Å; I941-R945 PolarHBondContact O-N 3.33Å; R945-Y947 VanDerWaalsContact C-N 3.27Å; R945-Y947 PolarHBondContact O-N 2.97Å; R945-F948 PolarHBondContact O-N 3.31Å |
| 946 | Q | 59.9 | Low | 59.2 | Low | 147 Ų | 147 | 86 Ų | 86 | 69% | 0.687 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -71 | -22.7 | -179.5 | -54.1 | -175.5 | 15.5 | 0 | 0 | 112.8 | E944 Q950 | E944-Q946 PolarHBondContact O-N 3.43Å; Q946-Q950 WeakPolarHBondContact O-CG 3.38Å; Q946-Q950 PolarHBondContact O-NE2 3.11Å |
| 947 | Y | 58.1 | Low | 59.5 | Low | 126 Ų | 126 | 81.7 Ų | 81.7 | 49% | 0.494 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -93.8 | -7.2 | -179.2 | -57.1 | -62.9 | 0 | 0 | 0 | 113.3 | E944 R945 G949 Q950 T953 | E944-Y947 HydrophobicContact CB-CD2 4.25Å; E944-Y947 HydrophobicContact CG-CD2 4.48Å; E944-Y947 WeakPolarHBondContact O-CB 3.39Å; E944-Y947 PolarHBondContact O-N 3.41Å; R945-Y947 VanDerWaalsContact C-N 3.27Å; R945-Y947 PolarHBondContact O-N 2.97Å; Y947-G949 PolarHBondContact O-N 2.91Å; Y947-Q950 PolarHBondContact O-N 2.83Å; Y947-T953 HydrophobicContact CD1-CG2 4.45Å; Y947-T953 PolarHBondContact O-OG1 2.97Å |
| 948 | F | 66.1 | Low | 60 | Low | 22 Ų | 22 | 85.3 Ų | 85.3 | 10% | 0.096 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 118.6 | 180 | -65.9 | -4.2 | 0 | 0 | 0 | 110.4 | A236 F239 V240 W940 I941 E944 R945 Q950 Y955 F957 | A236-F948 HydrophobicContact CB-CE1 4.27Å; A236-F948 HydrophobicContact CB-CZ 4.35Å; F239-F948 HydrophobicContact CD1-CD2 4.19Å; F239-F948 HydrophobicContact CD1-CE2 4.15Å; V240-F948 HydrophobicContact CG2-CB 4.44Å; W940-F948 HydrophobicContact CE3-CE1 4.44Å; W940-F948 HydrophobicContact CE3-CZ 4.23Å; W940-F948 HydrophobicContact CH2-CZ 4.27Å; W940-F948 AromaticContact CZ3-CE1 3.76Å; W940-F948 HydrophobicContact CZ3-CE1 3.76Å; W940-F948 AromaticContact CZ3-CZ 3.58Å; W940-F948 HydrophobicContact CZ3-CZ 3.58Å; I941-F948 HydrophobicContact CB-CZ 4.4Å; I941-F948 HydrophobicContact CG1-CE2 4.37Å; I941-F948 HydrophobicContact CG1-CZ 4.07Å; I941-F948 HydrophobicContact CG2-CE2 3.97Å; I941-F948 HydrophobicContact CG2-CZ 4.3Å; E944-F948 HydrophobicContact CB-CE1 3.92Å; E944-F948 HydrophobicContact CB-CZ 4.46Å; E944-F948 VanDerWaalsContact O-CD1 3.26Å; E944-F948 WeakPolarHBondContact O-CD1 3.41Å; E944-F948 WeakPolarHBondContact O-CE1 3.35Å; R945-F948 PolarHBondContact O-N 3.31Å; F948-Q950 VanDerWaalsContact C-N 3.33Å; F948-Y955 HydrophobicContact CD1-CD2 4.34Å; F948-Y955 HydrophobicContact CD1-CG 4.29Å; F948-Y955 HydrophobicContact CE1-CD2 4.31Å; F948-Y955 HydrophobicContact CE1-CE2 4.44Å; F948-Y955 HydrophobicContact CE1-CG 4.43Å; F948-F957 HydrophobicContact CB-CZ 4.45Å |
| 949 | G | 59.5 | Low | 60 | Low | 40 Ų | 40 | 87.7 Ų | 87.7 | 41% | 0.412 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 7.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y947 Y955 F957 | Y947-G949 PolarHBondContact O-N 2.91Å; G949-Y955 PolarHBondContact N-O 3.02Å; G949-F957 VanDerWaalsContact CA-CD2 3.45Å |
| 950 | Q | 60 | Low | 60.1 | Low | 102 Ų | 102 | 86 Ų | 86 | 48% | 0.477 | 44% | 0.441 | S | S | . | . | trans | -86.9 | 145.8 | 175.4 | -64.6 | -133.9 | 22.7 | 0 | 0 | 112.6 | Q946 Y947 F948 T953 | Q946-Q950 WeakPolarHBondContact O-CG 3.38Å; Q946-Q950 PolarHBondContact O-NE2 3.11Å; Y947-Q950 PolarHBondContact O-N 2.83Å; F948-Q950 VanDerWaalsContact C-N 3.33Å; Q950-T953 PolarHBondContact O-OG1 3.47Å | ||
| 951 | P | 56.3 | Low | 60 | Low | 99 Ų | 99 | 86 Ų | 86 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 145.3 | 179.1 | 26 | -30.4 | 0 | 0 | 0 | 112.5 | ||
| 952 | N | 59.1 | Low | 59.9 | Low | 161 Ų | 161 | 86.4 Ų | 86.4 | 86% | 0.861 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 26.2 | -178.4 | -79.7 | -6.6 | 0 | 0 | 0 | 118.1 | N956 | N952-N956 PolarHBondContact N-ND2 3.33Š|
| 953 | T | 62.7 | Low | 59.7 | Low | 48 Ų | 48 | 88.3 Ų | 88.3 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -117 | 167.7 | 171 | 67.1 | 0 | 0 | 0 | 0 | 112.6 | Y947 Q950 Y955 N956 | Y947-T953 HydrophobicContact CD1-CG2 4.45Å; Y947-T953 PolarHBondContact O-OG1 2.97Å; Q950-T953 PolarHBondContact O-OG1 3.47Å; T953-Y955 PolarHBondContact O-N 3.01Å; T953-Y955 PolarHBondContact OG1-N 3.45Å; T953-N956 VanDerWaalsContact O-CB 3.24Å; T953-N956 WeakPolarHBondContact O-CB 3.34Å; T953-N956 PolarHBondContact O-N 3.16Å; T953-N956 VanDerWaalsContact O-N 3.09Å |
| 954 | S | 56.9 | Low | 60.1 | Low | 95 Ų | 95 | 90.4 Ų | 90.4 | 66% | 0.664 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -13.8 | 172.7 | -46.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 955 | Y | 59.1 | Low | 60.1 | Low | 47 Ų | 47 | 88 Ų | 88 | 18% | 0.184 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 26.5 | 179.7 | -51.6 | -75.3 | 0 | 0 | 0 | 112.4 | A236 W940 E944 F948 G949 T953 F957 | A236-Y955 HydrophobicContact CB-CD1 3.4Å; A236-Y955 HydrophobicContact CB-CE1 3.72Å; A236-Y955 HydrophobicContact CB-CG 4.26Å; W940-Y955 HydrophobicContact CH2-CE1 4.19Å; W940-Y955 AromaticContact CZ3-CE1 3.95Å; W940-Y955 HydrophobicContact CZ3-CE1 3.95Å; W940-Y955 HydrophobicContact CZ3-CE2 4.38Å; W940-Y955 AromaticContact CZ3-CZ 3.63Å; W940-Y955 VanDerWaalsContact CZ3-OH 3.25Å; W940-Y955 WeakPolarHBondContact CZ3-OH 3.45Å; E944-Y955 WeakPolarHBondContact OE2-CE2 3.5Å; E944-Y955 PolarHBondContact OE2-OH 3.06Å; E944-Y955 VanDerWaalsContact OE2-OH 3.11Å; F948-Y955 HydrophobicContact CD1-CD2 4.34Å; F948-Y955 HydrophobicContact CD1-CG 4.29Å; F948-Y955 HydrophobicContact CE1-CD2 4.31Å; F948-Y955 HydrophobicContact CE1-CE2 4.44Å; F948-Y955 HydrophobicContact CE1-CG 4.43Å; G949-Y955 PolarHBondContact N-O 3.02Å; T953-Y955 PolarHBondContact O-N 3.01Å; T953-Y955 PolarHBondContact OG1-N 3.45Å; Y955-F957 WeakPolarHBondContact O-CD1 3.39Å; Y955-F957 WeakPolarHBondContact O-CE1 3.42Å; Y955-F957 PolarHBondContact O-N 3.29Å; Y955-F957 VanDerWaalsContact O-N 3.07Å |
| 956 | N | 63.7 | Low | 60 | Low | 13 Ų | 13 | 82.9 Ų | 82.9 | 7% | 0.07 | 43% | 0.426 | C | S | . | . | trans | -73.4 | 98.8 | 175.2 | -177.1 | -9 | 0 | 0 | 0 | 110.8 | N952 T953 K958 T959 N960 | N952-N956 PolarHBondContact N-ND2 3.33Å; T953-N956 VanDerWaalsContact O-CB 3.24Å; T953-N956 WeakPolarHBondContact O-CB 3.34Å; T953-N956 PolarHBondContact O-N 3.16Å; T953-N956 VanDerWaalsContact O-N 3.09Å; N956-K958 PolarHBondContact O-N 3.29Å; N956-K958 VanDerWaalsContact O-N 3.08Å; N956-K958 WeakPolarHBondContact OD1-CB 3.45Å; N956-K958 PolarHBondContact OD1-N 3.41Å; N956-T959 PolarHBondContact ND2-OG1 3.2Å; N956-T959 PolarHBondContact O-N 2.9Å; N956-T959 PolarHBondContact OD1-N 3.48Å; N956-N960 PolarHBondContact O-N 3.4Å | ||
| 957 | F | 63.4 | Low | 60.2 | Low | 48 Ų | 48 | 80.4 Ų | 80.4 | 21% | 0.211 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -6.3 | -178.7 | -56.5 | -29.5 | 0 | 0 | 0 | 114.8 | W237 F948 G949 Y955 P962 | W237-F957 HydrophobicContact CB-CE1 3.94Å; W237-F957 HydrophobicContact CB-CZ 4.1Å; F948-F957 HydrophobicContact CB-CZ 4.45Å; G949-F957 VanDerWaalsContact CA-CD2 3.45Å; Y955-F957 WeakPolarHBondContact O-CD1 3.39Å; Y955-F957 WeakPolarHBondContact O-CE1 3.42Å; Y955-F957 PolarHBondContact O-N 3.29Å; Y955-F957 VanDerWaalsContact O-N 3.07Å; F957-P962 HydrophobicContact CB-CG 3.54Å; F957-P962 HydrophobicContact CD1-CB 4.21Å; F957-P962 HydrophobicContact CD1-CG 3.27Å; F957-P962 HydrophobicContact CE1-CG 4.18Å; F957-P962 HydrophobicContact CG-CG 3.64Å; F957-P962 VanDerWaalsContact O-CD 3.27Å; F957-P962 WeakPolarHBondContact O-CD 3.41Å |
| 958 | K | 58.3 | Low | 60.6 | Low | 200 Ų | 200 | 81.8 Ų | 81.8 | 87% | 0.87 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -30 | 176 | -67.1 | -178.6 | 177.8 | 178.3 | 0 | 113.3 | N956 | N956-K958 PolarHBondContact O-N 3.29Å; N956-K958 VanDerWaalsContact O-N 3.08Å; N956-K958 WeakPolarHBondContact OD1-CB 3.45Å; N956-K958 PolarHBondContact OD1-N 3.41Å |
| 959 | T | 57.3 | Low | 60.6 | Low | 109 Ų | 109 | 80.9 Ų | 80.9 | 67% | 0.669 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -41.1 | -178 | -48.8 | 0 | 0 | 0 | 0 | 112.4 | N956 | N956-T959 PolarHBondContact ND2-OG1 3.2Å; N956-T959 PolarHBondContact O-N 2.9Å; N956-T959 PolarHBondContact OD1-N 3.48Å |
| 960 | N | 58.3 | Low | 60.7 | Low | 95 Ų | 95 | 84 Ų | 84 | 51% | 0.508 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -106.8 | 106.8 | 167.8 | -79.6 | -23.2 | 0 | 0 | 0 | 107.2 | L233 N956 P962 | L233-N960 HydrophobicContact CD2-CB 4.45Å; N956-N960 PolarHBondContact O-N 3.4Å; N960-P962 WeakPolarHBondContact O-CD 3.32Å |
| 961 | N | 60.5 | Low | 61.2 | Low | 70 Ų | 70 | 85.5 Ų | 85.5 | 37% | 0.374 | 42% | 0.422 | S | S | . | . | trans | -67 | 107.1 | -174.3 | -172.2 | -12.9 | 0 | 0 | 0 | 110.1 | R963 E964 A965 | N961-R963 PolarHBondContact O-N 3.46Å; N961-R963 VanDerWaalsContact O-N 3.16Å; N961-R963 VanDerWaalsContact OD1-CB 3.25Å; N961-R963 WeakPolarHBondContact OD1-CB 3.4Å; N961-R963 PolarHBondContact OD1-N 3.26Å; N961-E964 HydrophobicContact CB-CB 3.98Å; N961-E964 HydrophobicContact CB-CG 4.1Å; N961-E964 PolarHBondContact O-N 2.73Å; N961-A965 PolarHBondContact O-N 3.05Å | ||
| 962 | P | 60.7 | Low | 61.8 | Low | 8 Ų | 8 | 81.8 Ų | 81.8 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.1 | -22.7 | -175.3 | -16.6 | 31.9 | 0 | 0 | 0 | 111.2 | W237 F957 N960 G966 | W237-P962 HydrophobicContact CB-CB 3.85Å; W237-P962 HydrophobicContact CD2-CB 4.3Å; W237-P962 HydrophobicContact CG-CB 3.68Å; W237-P962 HydrophobicContact CG-CG 4.42Å; F957-P962 HydrophobicContact CB-CG 3.54Å; F957-P962 HydrophobicContact CD1-CB 4.21Å; F957-P962 HydrophobicContact CD1-CG 3.27Å; F957-P962 HydrophobicContact CE1-CG 4.18Å; F957-P962 HydrophobicContact CG-CG 3.64Å; F957-P962 VanDerWaalsContact O-CD 3.27Å; F957-P962 WeakPolarHBondContact O-CD 3.41Å; N960-P962 WeakPolarHBondContact O-CD 3.32Å; P962-G966 WeakPolarHBondContact O-CA 3.46Å; P962-G966 PolarHBondContact O-N 3.27Å |
| 963 | R | 56.2 | Low | 62.2 | Low | 172 Ų | 172 | 77.8 Ų | 77.8 | 65% | 0.649 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -74.7 | -34.4 | 174.6 | -141.5 | 177.6 | -168.7 | -174.5 | 2.6 | 111.4 | N961 Q967 | N961-R963 PolarHBondContact O-N 3.46Å; N961-R963 VanDerWaalsContact O-N 3.16Å; N961-R963 VanDerWaalsContact OD1-CB 3.25Å; N961-R963 WeakPolarHBondContact OD1-CB 3.4Å; N961-R963 PolarHBondContact OD1-N 3.26Å; R963-Q967 WeakPolarHBondContact O-CA 3.27Å; R963-Q967 WeakPolarHBondContact O-CB 3.35Å; R963-Q967 WeakPolarHBondContact O-CG 3.21Å; R963-Q967 PolarHBondContact O-N 2.86Å |
| 964 | E | 63.3 | Low | 62.3 | Low | 120 Ų | 120 | 79.7 Ų | 79.7 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -76.9 | -40.5 | 173.1 | -77.8 | 176.3 | 166.3 | 0 | 0 | 112.1 | N961 Q967 R968 | N961-E964 HydrophobicContact CB-CB 3.98Å; N961-E964 HydrophobicContact CB-CG 4.1Å; N961-E964 PolarHBondContact O-N 2.73Å; E964-Q967 PolarHBondContact O-N 3.15Å; E964-R968 WeakPolarHBondContact O-CB 3.4Å; E964-R968 PolarHBondContact O-N 3.09Å |
| 965 | A | 59.4 | Low | 62.7 | Low | 15 Ų | 15 | 78 Ų | 78 | 12% | 0.124 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L233 N961 R968 L969 | L233-A965 HydrophobicContact CD2-CB 3.6Å; N961-A965 PolarHBondContact O-N 3.05Å; A965-R968 PolarHBondContact O-N 3.26Å; A965-L969 WeakPolarHBondContact O-CB 3.33Å; A965-L969 PolarHBondContact O-N 2.67Å |
| 966 | G | 62.1 | Low | 63 | Low | 4 Ų | 4 | 76 Ų | 76 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.2 | -38.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y234 P962 K970 | Y234-G966 VanDerWaalsContact CD2-CA 3.46Å; P962-G966 WeakPolarHBondContact O-CA 3.46Å; P962-G966 PolarHBondContact O-N 3.27Å; G966-K970 WeakPolarHBondContact O-CA 3.39Å; G966-K970 WeakPolarHBondContact O-CB 3.23Å; G966-K970 PolarHBondContact O-N 3.11Å |
| 967 | Q | 62.8 | Low | 62.9 | Low | 95 Ų | 95 | 78 Ų | 78 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69 | -33.3 | 173.1 | -83.5 | 170.2 | 11.6 | 0 | 0 | 112 | R963 E964 K971 | R963-Q967 WeakPolarHBondContact O-CA 3.27Å; R963-Q967 WeakPolarHBondContact O-CB 3.35Å; R963-Q967 WeakPolarHBondContact O-CG 3.21Å; R963-Q967 PolarHBondContact O-N 2.86Å; E964-Q967 PolarHBondContact O-N 3.15Å; Q967-K971 WeakPolarHBondContact O-CA 3.28Å; Q967-K971 WeakPolarHBondContact O-CB 3.38Å; Q967-K971 WeakPolarHBondContact O-CG 3.48Å; Q967-K971 PolarHBondContact O-N 3.36Å |
| 968 | R | 66 | Low | 63 | Low | 155 Ų | 155 | 82.3 Ų | 82.3 | 59% | 0.585 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -74.4 | -43.8 | 176.5 | -166.1 | 169.6 | -179.4 | 165.2 | -2.1 | 110.3 | L230 E964 A965 K970 K971 L972 | L230-R968 HydrophobicContact CD1-CB 4.41Å; L230-R968 HydrophobicContact CD1-CG 4.21Å; E964-R968 WeakPolarHBondContact O-CB 3.4Å; E964-R968 PolarHBondContact O-N 3.09Å; A965-R968 PolarHBondContact O-N 3.26Å; R968-K970 VanDerWaalsContact C-N 3.35Å; R968-K970 PolarHBondContact O-N 3.03Å; R968-K971 PolarHBondContact O-N 3.34Å; R968-L972 HydrophobicContact CG-CD1 4.29Å; R968-L972 VanDerWaalsContact O-CB 3.26Å; R968-L972 WeakPolarHBondContact O-CB 3.44Å; R968-L972 WeakPolarHBondContact O-CD1 3.34Å; R968-L972 WeakPolarHBondContact O-CG 3.22Å; R968-L972 PolarHBondContact O-N 3.03Å |
| 969 | L | 66.4 | Low | 63.3 | Low | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 170.2 | -177.1 | 120.3 | 0 | 0 | 0 | 111.3 | I227 L230 S231 Y234 A965 L972 E973 | I227-L969 HydrophobicContact CG2-CD1 4.37Å; I227-L969 WeakPolarHBondContact O-CD1 3.47Å; L230-L969 VanDerWaalsContact C-CD1 3.4Å; L230-L969 HydrophobicContact CB-CB 4.04Å; L230-L969 HydrophobicContact CB-CD1 3.47Å; L230-L969 VanDerWaalsContact CB-CD1 3.47Å; L230-L969 HydrophobicContact CB-CG 4.36Å; L230-L969 HydrophobicContact CD1-CB 4.45Å; S231-L969 VanDerWaalsContact N-CD1 3.29Å; Y234-L969 HydrophobicContact CD1-CD2 3.66Å; Y234-L969 HydrophobicContact CE1-CD2 4Å; Y234-L969 HydrophobicContact CG-CD2 4.28Å; A965-L969 WeakPolarHBondContact O-CB 3.33Å; A965-L969 PolarHBondContact O-N 2.67Å; L969-L972 CarbonylContact O-C 3.49Å; L969-L972 PolarHBondContact O-N 2.75Å; L969-E973 WeakPolarHBondContact CD2-OE1 3.48Å; L969-E973 WeakPolarHBondContact CD2-OE2 3.34Å; L969-E973 HydrophobicContact CG-CG 4.5Å; L969-E973 VanDerWaalsContact O-CB 3.31Å; L969-E973 WeakPolarHBondContact O-CB 3.4Å; L969-E973 VanDerWaalsContact O-CG 3.23Å; L969-E973 WeakPolarHBondContact O-CG 3.41Å; L969-E973 PolarHBondContact O-N 3.29Å |
| 970 | K | 62.7 | Low | 63.4 | Low | 105 Ų | 105 | 73.2 Ų | 73.2 | 46% | 0.457 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -75.9 | -32.2 | 179.8 | -158.3 | 178.4 | -168.5 | -177.1 | 0 | 112.9 | G966 R968 E973 E974 | G966-K970 WeakPolarHBondContact O-CA 3.39Å; G966-K970 WeakPolarHBondContact O-CB 3.23Å; G966-K970 PolarHBondContact O-N 3.11Å; R968-K970 VanDerWaalsContact C-N 3.35Å; R968-K970 PolarHBondContact O-N 3.03Å; K970-E973 PolarHBondContact O-N 3.29Å; K970-E974 HydrophobicContact CG-CG 4.32Å; K970-E974 WeakPolarHBondContact O-CA 3.48Å; K970-E974 WeakPolarHBondContact O-CB 3.44Å; K970-E974 WeakPolarHBondContact O-CG 3.46Å; K970-E974 PolarHBondContact O-N 3.34Å |
| 971 | K | 69 | Low | 63.6 | Low | 134 Ų | 134 | 79.2 Ų | 79.2 | 58% | 0.583 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.7 | -40.8 | 168.8 | -82.1 | 173.5 | -178.2 | -179.9 | 0 | 110.3 | Q967 R968 T975 | Q967-K971 WeakPolarHBondContact O-CA 3.28Å; Q967-K971 WeakPolarHBondContact O-CB 3.38Å; Q967-K971 WeakPolarHBondContact O-CG 3.48Å; Q967-K971 PolarHBondContact O-N 3.36Å; R968-K971 PolarHBondContact O-N 3.34Å; K971-T975 VanDerWaalsContact O-CB 3.25Å; K971-T975 WeakPolarHBondContact O-CB 3.32Å; K971-T975 WeakPolarHBondContact O-CG2 3.47Å; K971-T975 PolarHBondContact O-N 3.41Å; K971-T975 PolarHBondContact O-OG1 3.21Å |
| 972 | L | 69.3 | Low | 63.5 | Low | 22 Ų | 22 | 82.2 Ų | 82.2 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 173.6 | -69.6 | 167.8 | 0 | 0 | 0 | 110.2 | L223 E226 I227 L230 R968 L969 T975 T976 | L223-L972 HydrophobicContact CD2-CD2 3.6Å; E226-L972 HydrophobicContact CB-CD1 4.25Å; E226-L972 HydrophobicContact CG-CD1 4.01Å; I227-L972 HydrophobicContact CD1-CB 4.36Å; I227-L972 HydrophobicContact CG1-CB 3.83Å; L230-L972 HydrophobicContact CD1-CD1 3.94Å; R968-L972 HydrophobicContact CG-CD1 4.29Å; R968-L972 VanDerWaalsContact O-CB 3.26Å; R968-L972 WeakPolarHBondContact O-CB 3.44Å; R968-L972 WeakPolarHBondContact O-CD1 3.34Å; R968-L972 WeakPolarHBondContact O-CG 3.22Å; R968-L972 PolarHBondContact O-N 3.03Å; L969-L972 CarbonylContact O-C 3.49Å; L969-L972 PolarHBondContact O-N 2.75Å; L972-T975 WeakPolarHBondContact CA-OG1 3.07Å; L972-T975 PolarHBondContact O-OG1 2.79Å; L972-T976 WeakPolarHBondContact O-CB 3.43Å; L972-T976 PolarHBondContact O-N 3.01Å; L972-T976 PolarHBondContact O-OG1 3.09Å |
| 973 | E | 67.1 | Low | 63.6 | Low | 77 Ų | 77 | 82.2 Ų | 82.2 | 36% | 0.36 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.3 | -33.9 | 175.8 | -74.3 | 170.7 | 168.4 | 0 | 0 | 113.3 | I227 L969 K970 S977 | I227-E973 HydrophobicContact CD1-CB 4.42Å; I227-E973 HydrophobicContact CD1-CG 3.74Å; I227-E973 HydrophobicContact CG1-CG 4.05Å; I227-E973 HydrophobicContact CG2-CG 3.78Å; I227-E973 WeakPolarHBondContact CG2-OE1 3.32Å; L969-E973 WeakPolarHBondContact CD2-OE1 3.48Å; L969-E973 WeakPolarHBondContact CD2-OE2 3.34Å; L969-E973 HydrophobicContact CG-CG 4.5Å; L969-E973 VanDerWaalsContact O-CB 3.31Å; L969-E973 WeakPolarHBondContact O-CB 3.4Å; L969-E973 VanDerWaalsContact O-CG 3.23Å; L969-E973 WeakPolarHBondContact O-CG 3.41Å; L969-E973 PolarHBondContact O-N 3.29Å; K970-E973 PolarHBondContact O-N 3.29Å; E973-S977 WeakPolarHBondContact O-CA 3.24Å; E973-S977 WeakPolarHBondContact O-CB 3.42Å; E973-S977 PolarHBondContact O-N 3.34Å |
| 974 | E | 65.3 | Low | 64.1 | Low | 87 Ų | 87 | 76.2 Ų | 76.2 | 41% | 0.407 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -75.7 | -40.7 | 175.5 | -79.3 | 173.5 | -167.2 | 0 | 0 | 111.3 | K970 T976 S977 K978 | K970-E974 HydrophobicContact CG-CG 4.32Å; K970-E974 WeakPolarHBondContact O-CA 3.48Å; K970-E974 WeakPolarHBondContact O-CB 3.44Å; K970-E974 WeakPolarHBondContact O-CG 3.46Å; K970-E974 PolarHBondContact O-N 3.34Å; E974-T976 VanDerWaalsContact C-N 3.31Å; E974-S977 PolarHBondContact O-N 3.41Å; E974-K978 WeakPolarHBondContact O-CB 3.35Å; E974-K978 WeakPolarHBondContact O-CG 3.3Å; E974-K978 PolarHBondContact O-N 2.79Å |
| 975 | T | 65.1 | Low | 64.3 | Low | 61 Ų | 61 | 76.3 Ų | 76.3 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 171.5 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | K971 L972 L979 | K971-T975 VanDerWaalsContact O-CB 3.25Å; K971-T975 WeakPolarHBondContact O-CB 3.32Å; K971-T975 WeakPolarHBondContact O-CG2 3.47Å; K971-T975 PolarHBondContact O-N 3.41Å; K971-T975 PolarHBondContact O-OG1 3.21Å; L972-T975 WeakPolarHBondContact CA-OG1 3.07Å; L972-T975 PolarHBondContact O-OG1 2.79Å; T975-L979 VanDerWaalsContact O-CB 3.23Å; T975-L979 WeakPolarHBondContact O-CB 3.18Å; T975-L979 WeakPolarHBondContact O-CD1 3.39Å; T975-L979 WeakPolarHBondContact O-CG 3.36Å; T975-L979 PolarHBondContact O-N 2.61Å |
| 976 | T | 65.3 | Low | 64.8 | Low | 4 Ų | 4 | 84.7 Ų | 84.7 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 174.8 | -53.1 | 0 | 0 | 0 | 0 | 111 | Y220 L223 M224 I227 L972 E974 L979 E980 | Y220-T976 HydrophobicContact CD2-CG2 3.57Å; Y220-T976 WeakPolarHBondContact CD2-O 3.28Å; Y220-T976 HydrophobicContact CE2-CG2 3.2Å; Y220-T976 WeakPolarHBondContact CE2-O 3.45Å; L223-T976 WeakPolarHBondContact CB-OG1 3.43Å; M224-T976 HydrophobicContact CE-CG2 3.82Å; M224-T976 HydrophobicContact CG-CG2 3.91Å; M224-T976 HydrophobicContact SD-CG2 4.08Å; I227-T976 HydrophobicContact CD1-CG2 4.26Å; L972-T976 WeakPolarHBondContact O-CB 3.43Å; L972-T976 PolarHBondContact O-N 3.01Å; L972-T976 PolarHBondContact O-OG1 3.09Å; E974-T976 VanDerWaalsContact C-N 3.31Å; T976-L979 CarbonylContact O-C 3.57Å; T976-L979 PolarHBondContact O-N 2.79Å; T976-E980 VanDerWaalsContact O-CB 3.31Å; T976-E980 WeakPolarHBondContact O-CB 3.17Å; T976-E980 PolarHBondContact O-N 3.05Å |
| 977 | S | 62 | Low | 65.2 | Low | 56 Ų | 56 | 84.5 Ų | 84.5 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.7 | -34.7 | 178.6 | -178.4 | 0 | 0 | 0 | 0 | 113.8 | E973 E974 E980 R981 | E973-S977 WeakPolarHBondContact O-CA 3.24Å; E973-S977 WeakPolarHBondContact O-CB 3.42Å; E973-S977 PolarHBondContact O-N 3.34Å; E974-S977 PolarHBondContact O-N 3.41Å; S977-E980 PolarHBondContact O-N 3.25Å; S977-R981 PolarHBondContact O-N 2.96Å |
| 978 | K | 65.3 | Low | 65.6 | Low | 138 Ų | 138 | 84 Ų | 84 | 60% | 0.6 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66 | -43.5 | 171.8 | -77.1 | 172.5 | -174.7 | 176.5 | 0 | 110.8 | E974 N982 | E974-K978 WeakPolarHBondContact O-CB 3.35Å; E974-K978 WeakPolarHBondContact O-CG 3.3Å; E974-K978 PolarHBondContact O-N 2.79Å; K978-N982 PolarHBondContact O-N 2.83Å |
| 979 | L | 64.9 | Low | 66 | Low | 35 Ų | 35 | 81.4 Ų | 81.4 | 18% | 0.183 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 169.9 | -72.9 | 164.9 | 0 | 0 | 0 | 108.8 | Y220 L223 T975 T976 R981 N982 V983 | Y220-L979 HydrophobicContact CD2-CB 3.98Å; L223-L979 HydrophobicContact CD1-CD1 3.62Å; T975-L979 VanDerWaalsContact O-CB 3.23Å; T975-L979 WeakPolarHBondContact O-CB 3.18Å; T975-L979 WeakPolarHBondContact O-CD1 3.39Å; T975-L979 WeakPolarHBondContact O-CG 3.36Å; T975-L979 PolarHBondContact O-N 2.61Å; T976-L979 CarbonylContact O-C 3.57Å; T976-L979 PolarHBondContact O-N 2.79Å; L979-R981 VanDerWaalsContact C-N 3.29Å; L979-R981 PolarHBondContact O-N 3.2Å; L979-R981 VanDerWaalsContact O-N 3.13Å; L979-N982 CarbonylContact O-C 3.58Å; L979-N982 PolarHBondContact O-N 3.42Å; L979-V983 HydrophobicContact CB-CG2 4.07Å; L979-V983 HydrophobicContact CD2-CG2 4.4Å; L979-V983 WeakPolarHBondContact O-CA 3.29Å; L979-V983 WeakPolarHBondContact O-CB 3.48Å; L979-V983 WeakPolarHBondContact O-CG2 3.36Å; L979-V983 PolarHBondContact O-N 3.46Å |
| 980 | E | 60.4 | Low | 66.5 | Low | 83 Ų | 83 | 85.5 Ų | 85.5 | 39% | 0.388 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -54.9 | -37.7 | -178.1 | -159.5 | 171.6 | -166.5 | 0 | 0 | 114.4 | Y220 T976 S977 K985 | Y220-E980 HydrophobicContact CD2-CB 4.31Å; Y220-E980 HydrophobicContact CE2-CB 3.57Å; Y220-E980 HydrophobicContact CE2-CG 3.91Å; Y220-E980 WeakPolarHBondContact OH-CG 3.4Å; Y220-E980 PolarHBondContact OH-OE1 2.97Å; Y220-E980 VanDerWaalsContact OH-OE1 3.07Å; Y220-E980 PolarHBondContact OH-OE2 3.37Å; T976-E980 VanDerWaalsContact O-CB 3.31Å; T976-E980 WeakPolarHBondContact O-CB 3.17Å; T976-E980 PolarHBondContact O-N 3.05Å; S977-E980 PolarHBondContact O-N 3.25Å; E980-K985 IonicContact OE1-NZ 2.81Å |
| 981 | R | 62 | Low | 67.4 | Low | 221 Ų | 221 | 80.6 Ų | 80.6 | 83% | 0.834 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.2 | -32.7 | 177.7 | -86.1 | -177.4 | 168.4 | 176.8 | -2.6 | 113.8 | S977 L979 | S977-R981 PolarHBondContact O-N 2.96Å; L979-R981 VanDerWaalsContact C-N 3.29Å; L979-R981 PolarHBondContact O-N 3.2Å; L979-R981 VanDerWaalsContact O-N 3.13Å |
| 982 | N | 58.6 | Low | 67.8 | Low | 132 Ų | 132 | 77.9 Ų | 77.9 | 71% | 0.706 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -101.2 | -7.6 | -177.2 | -68.5 | -10.1 | 0 | 0 | 0 | 112.8 | K978 L979 N984 | K978-N982 PolarHBondContact O-N 2.83Å; L979-N982 CarbonylContact O-C 3.58Å; L979-N982 PolarHBondContact O-N 3.42Å; N982-N984 PolarHBondContact O-N 2.94Å |
| 983 | V | 62.7 | Low | 68.3 | Low | 9 Ų | 9 | 81.8 Ų | 81.8 | 6% | 0.055 | 39% | 0.387 | C | S | . | . | trans | -91.5 | 103.8 | -174.2 | 162.5 | 0 | 0 | 0 | 0 | 109.5 | Y217 L979 K985 | Y217-V983 HydrophobicContact CD2-CG1 3.3Å; Y217-V983 HydrophobicContact CE2-CG1 4.32Å; Y217-V983 HydrophobicContact CG-CG1 3.9Å; L979-V983 HydrophobicContact CB-CG2 4.07Å; L979-V983 HydrophobicContact CD2-CG2 4.4Å; L979-V983 WeakPolarHBondContact O-CA 3.29Å; L979-V983 WeakPolarHBondContact O-CB 3.48Å; L979-V983 WeakPolarHBondContact O-CG2 3.36Å; L979-V983 PolarHBondContact O-N 3.46Å; V983-K985 PolarHBondContact O-N 2.79Å; V983-K985 VanDerWaalsContact O-N 3.14Å | ||
| 984 | N | 67.3 | Low | 68.9 | Low | 45 Ų | 45 | 78.9 Ų | 78.9 | 24% | 0.241 | 38% | 0.375 | C | S | . | . | trans | -74.4 | 101.3 | 173.7 | 177.8 | 3.7 | 0 | 0 | 0 | 109.9 | E213 N982 R986 A987 | E213-N984 VanDerWaalsContact OE2-CB 3.3Å; E213-N984 WeakPolarHBondContact OE2-CB 3.38Å; E213-N984 PolarHBondContact OE2-ND2 3.46Å; N982-N984 PolarHBondContact O-N 2.94Å; N984-R986 PolarHBondContact O-N 3.44Å; N984-R986 WeakPolarHBondContact OD1-CA 3.24Å; N984-R986 WeakPolarHBondContact OD1-CB 3.29Å; N984-R986 PolarHBondContact OD1-N 2.83Å; N984-A987 HydrophobicContact CB-CB 3.96Å; N984-A987 WeakPolarHBondContact O-CB 3.26Å; N984-A987 PolarHBondContact O-N 2.88Å; N984-A987 PolarHBondContact OD1-N 3.33Å | ||
| 985 | K | 67.4 | Low | 69.7 | Low | 122 Ų | 122 | 77.8 Ų | 77.8 | 53% | 0.53 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.2 | 178 | -59.6 | 178.4 | -176.1 | 172.9 | 0 | 113.1 | Y217 E980 V983 | Y217-K985 HydrophobicContact CD2-CG 4.44Å; Y217-K985 HydrophobicContact CE2-CB 4.45Å; Y217-K985 HydrophobicContact CE2-CG 3.96Å; E980-K985 IonicContact OE1-NZ 2.81Å; V983-K985 PolarHBondContact O-N 2.79Å; V983-K985 VanDerWaalsContact O-N 3.14Å |
| 986 | R | 68.5 | Low | 70.5 | Confident | 191 Ų | 191 | 80.9 Ų | 80.9 | 72% | 0.721 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -1.7 | 175 | -62.6 | -177.6 | -179.9 | 178.8 | 0.3 | 113.7 | N984 M988 N989 M990 | N984-R986 PolarHBondContact O-N 3.44Å; N984-R986 WeakPolarHBondContact OD1-CA 3.24Å; N984-R986 WeakPolarHBondContact OD1-CB 3.29Å; N984-R986 PolarHBondContact OD1-N 2.83Å; R986-M988 PolarHBondContact O-N 2.89Å; R986-M988 VanDerWaalsContact O-N 3.1Å; R986-N989 PolarHBondContact O-N 2.81Å; R986-M990 PolarHBondContact O-N 2.9Å; R986-M990 VanDerWaalsContact O-N 3.09Å |
| 987 | A | 70.8 | Confident | 71.2 | Confident | 1 Ų | 1 | 88.6 Ų | 88.6 | 1% | 0.008 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -53.8 | -33.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E213 N984 N989 M990 L991 | E213-A987 HydrophobicContact CB-CB 3.89Å; N984-A987 HydrophobicContact CB-CB 3.96Å; N984-A987 WeakPolarHBondContact O-CB 3.26Å; N984-A987 PolarHBondContact O-N 2.88Å; N984-A987 PolarHBondContact OD1-N 3.33Å; A987-N989 PolarHBondContact O-N 2.78Å; A987-M990 PolarHBondContact O-N 3.22Å; A987-L991 WeakPolarHBondContact O-CB 3.26Å; A987-L991 PolarHBondContact O-N 3.05Å |
| 988 | M | 70.7 | Confident | 72.3 | Confident | 83 Ų | 83 | 89.2 Ų | 89.2 | 41% | 0.409 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 175.8 | -167.6 | 69.6 | -172.8 | 0 | 0 | 112.7 | R214 R986 N992 | R214-M988 HydrophobicContact CG-SD 4.31Å; R986-M988 PolarHBondContact O-N 2.89Å; R986-M988 VanDerWaalsContact O-N 3.1Å; M988-N992 PolarHBondContact O-N 3.38Å; M988-N992 PolarHBondContact O-ND2 2.75Å; M988-N992 PolarHBondContact O-OD1 2.92Å |
| 989 | N | 76.1 | Confident | 73.2 | Confident | 102 Ų | 102 | 87.3 Ų | 87.3 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -78.3 | -39.6 | -179.4 | -66.6 | -7.5 | 0 | 0 | 0 | 111.3 | R986 A987 N992 E993 | R986-N989 PolarHBondContact O-N 2.81Å; A987-N989 PolarHBondContact O-N 2.78Å; N989-N992 WeakPolarHBondContact O-CB 3.25Å; N989-N992 PolarHBondContact O-N 2.81Å; N989-E993 PolarHBondContact O-N 3.27Å; N989-E993 VanDerWaalsContact O-N 3.1Å |
| 990 | M | 76.3 | Confident | 74.1 | Confident | 87 Ų | 87 | 89.5 Ų | 89.5 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.4 | -35 | 179.2 | -66.7 | 179 | 66.3 | 0 | 0 | 112.8 | L210 R986 A987 E993 A994 | L210-M990 HydrophobicContact CD1-CB 4.26Å; L210-M990 HydrophobicContact CD2-CB 4.08Å; R986-M990 PolarHBondContact O-N 2.9Å; R986-M990 VanDerWaalsContact O-N 3.09Å; A987-M990 PolarHBondContact O-N 3.22Å; M990-E993 PolarHBondContact O-N 2.8Å; M990-A994 WeakPolarHBondContact O-CB 3.37Å; M990-A994 PolarHBondContact O-N 2.84Å |
| 991 | L | 80.3 | Confident | 75.2 | Confident | 2 Ų | 2 | 87.4 Ų | 87.4 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 173.2 | -178.2 | 67.6 | 0 | 0 | 0 | 110.6 | M207 L210 Q211 A987 E993 A994 E995 | M207-L991 HydrophobicContact CG-CD1 4Å; L210-L991 HydrophobicContact CB-CB 4.2Å; L210-L991 HydrophobicContact CB-CD1 3.8Å; Q211-L991 HydrophobicContact CG-CD1 3.67Å; Q211-L991 HydrophobicContact CG-CD2 4Å; A987-L991 WeakPolarHBondContact O-CB 3.26Å; A987-L991 PolarHBondContact O-N 3.05Å; L991-E993 PolarHBondContact O-N 2.81Å; L991-A994 PolarHBondContact O-N 3.42Å; L991-E995 HydrophobicContact CD1-CG 4.44Å; L991-E995 HydrophobicContact CG-CG 4.46Å; L991-E995 WeakPolarHBondContact O-CB 3.3Å; L991-E995 WeakPolarHBondContact O-CG 3.31Å; L991-E995 PolarHBondContact O-N 2.89Å |
| 992 | N | 79 | Confident | 76.3 | Confident | 78 Ų | 78 | 79 Ų | 79 | 42% | 0.417 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 176.6 | -67.2 | -17 | 0 | 0 | 0 | 111.7 | M988 N989 E995 E996 | M988-N992 PolarHBondContact O-N 3.38Å; M988-N992 PolarHBondContact O-ND2 2.75Å; M988-N992 PolarHBondContact O-OD1 2.92Å; N989-N992 WeakPolarHBondContact O-CB 3.25Å; N989-N992 PolarHBondContact O-N 2.81Å; N992-E995 PolarHBondContact O-N 3Å; N992-E996 WeakPolarHBondContact O-CB 3.36Å; N992-E996 PolarHBondContact O-N 3.32Å |
| 993 | E | 79.3 | Confident | 77.6 | Confident | 104 Ų | 104 | 79.1 Ų | 79.1 | 49% | 0.486 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 176.8 | -71.4 | 177.5 | -163.5 | 0 | 0 | 112.7 | N989 M990 L991 E996 R997 | N989-E993 PolarHBondContact O-N 3.27Å; N989-E993 VanDerWaalsContact O-N 3.1Å; M990-E993 PolarHBondContact O-N 2.8Å; L991-E993 PolarHBondContact O-N 2.81Å; E993-E996 PolarHBondContact O-N 3.23Å; E993-R997 WeakPolarHBondContact O-CG 3.18Å; E993-R997 PolarHBondContact O-N 3.49Å; E993-R997 VanDerWaalsContact O-N 3.09Å |
| 994 | A | 80.1 | Confident | 78.6 | Confident | 15 Ų | 15 | 84.5 Ų | 84.5 | 12% | 0.124 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L210 M990 L991 R997 Y998 | L210-A994 HydrophobicContact CD1-CB 4.1Å; M990-A994 WeakPolarHBondContact O-CB 3.37Å; M990-A994 PolarHBondContact O-N 2.84Å; L991-A994 PolarHBondContact O-N 3.42Å; A994-R997 PolarHBondContact O-N 3.17Å; A994-Y998 WeakPolarHBondContact O-CB 3.37Å; A994-Y998 PolarHBondContact O-N 3.1Å |
| 995 | E | 81.3 | Confident | 79.5 | Confident | 65 Ų | 65 | 84.2 Ų | 84.2 | 30% | 0.304 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 173.5 | -77.4 | -179 | -177.7 | 0 | 0 | 111.5 | M207 L991 N992 Y998 N999 | M207-E995 HydrophobicContact CG-CG 4.4Å; M207-E995 HydrophobicContact SD-CG 4.14Å; L991-E995 HydrophobicContact CD1-CG 4.44Å; L991-E995 HydrophobicContact CG-CG 4.46Å; L991-E995 WeakPolarHBondContact O-CB 3.3Å; L991-E995 WeakPolarHBondContact O-CG 3.31Å; L991-E995 PolarHBondContact O-N 2.89Å; N992-E995 PolarHBondContact O-N 3Å; E995-Y998 PolarHBondContact O-N 2.87Å; E995-N999 WeakPolarHBondContact O-CB 3.48Å; E995-N999 PolarHBondContact O-N 3.49Å; E995-N999 PolarHBondContact O-ND2 3.26Å |
| 996 | E | 83.1 | Confident | 80.4 | Confident | 126 Ų | 126 | 85.7 Ų | 85.7 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.3 | -47.5 | 175.7 | -169.3 | 175.9 | -169.2 | 0 | 0 | 111.5 | N992 E993 Y998 N999 D1000 | N992-E996 WeakPolarHBondContact O-CB 3.36Å; N992-E996 PolarHBondContact O-N 3.32Å; E993-E996 PolarHBondContact O-N 3.23Å; E996-Y998 PolarHBondContact O-N 3.35Å; E996-N999 PolarHBondContact O-N 3.2Å; E996-D1000 WeakPolarHBondContact O-CB 3.18Å; E996-D1000 PolarHBondContact O-N 3.11Å |
| 997 | R | 79.2 | Confident | 81.3 | Confident | 165 Ų | 165 | 80.8 Ų | 80.8 | 62% | 0.623 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 176 | -71 | 179.8 | -168.7 | 178.2 | 7.3 | 112.8 | E993 A994 D1000 L1001 | E993-R997 WeakPolarHBondContact O-CG 3.18Å; E993-R997 PolarHBondContact O-N 3.49Å; E993-R997 VanDerWaalsContact O-N 3.09Å; A994-R997 PolarHBondContact O-N 3.17Å; R997-D1000 PolarHBondContact O-N 3.33Å; R997-L1001 PolarHBondContact O-N 2.77Å |
| 998 | Y | 84.6 | Confident | 81.9 | Confident | 69 Ų | 69 | 82.8 Ų | 82.8 | 27% | 0.271 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 175.5 | 178.2 | -92.6 | 0 | 0 | 0 | 111 | L199 I203 A994 E995 E996 D1000 L1001 M1002 | L199-Y998 HydrophobicContact CD2-CD2 3.75Å; L199-Y998 HydrophobicContact CD2-CE2 3.96Å; I203-Y998 HydrophobicContact CG2-CD2 3.99Å; I203-Y998 HydrophobicContact CG2-CG 4.49Å; A994-Y998 WeakPolarHBondContact O-CB 3.37Å; A994-Y998 PolarHBondContact O-N 3.1Å; E995-Y998 PolarHBondContact O-N 2.87Å; E996-Y998 PolarHBondContact O-N 3.35Å; Y998-D1000 VanDerWaalsContact C-N 3.33Å; Y998-D1000 PolarHBondContact O-N 3.47Å; Y998-L1001 PolarHBondContact O-N 3.49Å; Y998-M1002 HydrophobicContact CD1-CG 4.17Å; Y998-M1002 HydrophobicContact CE1-CG 3.75Å; Y998-M1002 HydrophobicContact CE2-CG 4.36Å; Y998-M1002 WeakPolarHBondContact O-CB 3.38Å; Y998-M1002 WeakPolarHBondContact O-CG 3.11Å; Y998-M1002 PolarHBondContact O-N 3.46Å |
| 999 | N | 85.2 | Confident | 82.5 | Confident | 98 Ų | 98 | 82.5 Ų | 82.5 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 178.6 | -75 | -37 | 0 | 0 | 0 | 112.1 | E995 E996 M1002 K1003 | E995-N999 WeakPolarHBondContact O-CB 3.48Å; E995-N999 PolarHBondContact O-N 3.49Å; E995-N999 PolarHBondContact O-ND2 3.26Å; E996-N999 PolarHBondContact O-N 3.2Å; N999-M1002 PolarHBondContact O-N 3.4Å; N999-K1003 VanDerWaalsContact O-CB 3.3Å; N999-K1003 WeakPolarHBondContact O-CB 3.4Å; N999-K1003 PolarHBondContact O-N 2.91Å |
| 1000 | D | 84.1 | Confident | 83.1 | Confident | 82 Ų | 82 | 82.4 Ų | 82.4 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.2 | -92.2 | -4.9 | 0 | 0 | 0 | 113.2 | E996 R997 Y998 K1003 K1004 | E996-D1000 WeakPolarHBondContact O-CB 3.18Å; E996-D1000 PolarHBondContact O-N 3.11Å; R997-D1000 PolarHBondContact O-N 3.33Å; Y998-D1000 VanDerWaalsContact C-N 3.33Å; Y998-D1000 PolarHBondContact O-N 3.47Å; D1000-K1003 PolarHBondContact O-N 3.42Å; D1000-K1004 WeakPolarHBondContact O-CG 3.36Å; D1000-K1004 PolarHBondContact O-N 3.04Å |
| 1001 | L | 83.3 | Confident | 83.4 | Confident | 38 Ų | 38 | 81.2 Ų | 81.2 | 20% | 0.199 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 176.4 | -78.4 | 165.4 | 0 | 0 | 0 | 111.8 | I195 L199 I203 R997 Y998 K1003 K1004 K1005 | I195-L1001 HydrophobicContact CG2-CD2 4.37Å; L199-L1001 HydrophobicContact CD2-CB 3.99Å; L199-L1001 HydrophobicContact CD2-CD1 4.32Å; L199-L1001 HydrophobicContact CG-CB 4.44Å; I203-L1001 HydrophobicContact CD1-CD1 3.16Å; R997-L1001 PolarHBondContact O-N 2.77Å; Y998-L1001 PolarHBondContact O-N 3.49Å; L1001-K1003 VanDerWaalsContact C-N 3.33Å; L1001-K1003 PolarHBondContact O-N 2.9Å; L1001-K1004 PolarHBondContact O-N 3.15Å; L1001-K1005 WeakPolarHBondContact O-CB 3.14Å; L1001-K1005 PolarHBondContact O-N 2.89Å |
| 1002 | M | 84.9 | Confident | 83.5 | Confident | 44 Ų | 44 | 84.6 Ų | 84.6 | 22% | 0.217 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 172.9 | -81.4 | -66.5 | -74.6 | 0 | 0 | 112.1 | L199 Y998 N999 K1005 R1006 | L199-M1002 HydrophobicContact CD1-SD 4.37Å; Y998-M1002 HydrophobicContact CD1-CG 4.17Å; Y998-M1002 HydrophobicContact CE1-CG 3.75Å; Y998-M1002 HydrophobicContact CE2-CG 4.36Å; Y998-M1002 WeakPolarHBondContact O-CB 3.38Å; Y998-M1002 WeakPolarHBondContact O-CG 3.11Å; Y998-M1002 PolarHBondContact O-N 3.46Å; N999-M1002 PolarHBondContact O-N 3.4Å; M1002-K1005 PolarHBondContact O-N 3.42Å; M1002-K1005 HydrophobicContact SD-CD 4.47Å; M1002-R1006 WeakPolarHBondContact O-CG 3.32Å; M1002-R1006 PolarHBondContact O-N 3.29Å |
| 1003 | K | 86.6 | Confident | 83.8 | Confident | 135 Ų | 135 | 83.4 Ų | 83.4 | 59% | 0.587 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -63.1 | -45.4 | 173.9 | -172.9 | 179.4 | -179.4 | -178.5 | 0 | 111.3 | N999 D1000 L1001 R1006 I1007 | N999-K1003 VanDerWaalsContact O-CB 3.3Å; N999-K1003 WeakPolarHBondContact O-CB 3.4Å; N999-K1003 PolarHBondContact O-N 2.91Å; D1000-K1003 PolarHBondContact O-N 3.42Å; L1001-K1003 VanDerWaalsContact C-N 3.33Å; L1001-K1003 PolarHBondContact O-N 2.9Å; K1003-R1006 PolarHBondContact O-N 3.42Å; K1003-I1007 HydrophobicContact CG-CD1 4.23Å; K1003-I1007 VanDerWaalsContact O-CG1 3.29Å; K1003-I1007 WeakPolarHBondContact O-CG1 3.19Å; K1003-I1007 PolarHBondContact O-N 3.43Å |
| 1004 | K | 83.1 | Confident | 84.2 | Confident | 123 Ų | 123 | 84.8 Ų | 84.8 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.6 | -74.3 | 172.9 | -177.4 | 170.5 | 0 | 112.1 | D1000 L1001 I1007 V1008 | D1000-K1004 WeakPolarHBondContact O-CG 3.36Å; D1000-K1004 PolarHBondContact O-N 3.04Å; L1001-K1004 PolarHBondContact O-N 3.15Å; K1004-I1007 PolarHBondContact O-N 3.02Å; K1004-V1008 WeakPolarHBondContact O-CG2 3.43Å; K1004-V1008 PolarHBondContact O-N 3.34Å; K1004-V1008 VanDerWaalsContact O-N 3.09Å |
| 1005 | K | 85.6 | Confident | 84.4 | Confident | 39 Ų | 39 | 86.6 Ų | 86.6 | 17% | 0.17 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.9 | -51.6 | 175.8 | 179.3 | -179.8 | 170.5 | -178.4 | 0 | 111.3 | L1001 M1002 I1007 V1008 E1009 | L1001-K1005 WeakPolarHBondContact O-CB 3.14Å; L1001-K1005 PolarHBondContact O-N 2.89Å; M1002-K1005 PolarHBondContact O-N 3.42Å; M1002-K1005 HydrophobicContact SD-CD 4.47Å; K1005-I1007 VanDerWaalsContact C-N 3.31Å; K1005-I1007 PolarHBondContact O-N 2.95Å; K1005-V1008 PolarHBondContact O-N 3.45Å; K1005-V1008 VanDerWaalsContact O-N 3.15Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.3Å; K1005-E1009 HydrophobicContact CG-CG 4.48Å; K1005-E1009 WeakPolarHBondContact O-CG 3.46Å; K1005-E1009 PolarHBondContact O-N 2.72Å |
| 1006 | R | 86.8 | Confident | 84.5 | Confident | 153 Ų | 153 | 87.7 Ų | 87.7 | 58% | 0.577 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.1 | -39 | 178.2 | -73.3 | 178 | -176.4 | 169.8 | 3.2 | 112.9 | M1002 K1003 N1010 | M1002-R1006 WeakPolarHBondContact O-CG 3.32Å; M1002-R1006 PolarHBondContact O-N 3.29Å; K1003-R1006 PolarHBondContact O-N 3.42Å; R1006-N1010 WeakPolarHBondContact O-CB 3.46Å; R1006-N1010 VanDerWaalsContact O-CG 3.24Å; R1006-N1010 PolarHBondContact O-N 3.26Å; R1006-N1010 PolarHBondContact O-ND2 2.93Å |
| 1007 | I | 86.3 | Confident | 84.8 | Confident | 88 Ų | 88 | 87.2 Ų | 87.2 | 45% | 0.451 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -47.1 | 176.5 | -68.7 | 164.1 | 0 | 0 | 0 | 110.4 | K1003 K1004 K1005 E1009 N1010 D1011 | K1003-I1007 HydrophobicContact CG-CD1 4.23Å; K1003-I1007 VanDerWaalsContact O-CG1 3.29Å; K1003-I1007 WeakPolarHBondContact O-CG1 3.19Å; K1003-I1007 PolarHBondContact O-N 3.43Å; K1004-I1007 PolarHBondContact O-N 3.02Å; K1005-I1007 VanDerWaalsContact C-N 3.31Å; K1005-I1007 PolarHBondContact O-N 2.95Å; I1007-E1009 PolarHBondContact O-N 3.01Å; I1007-N1010 PolarHBondContact O-N 3.2Å; I1007-D1011 WeakPolarHBondContact O-CB 3.2Å; I1007-D1011 PolarHBondContact O-N 3.05Å |
| 1008 | V | 83.6 | Confident | 85.1 | Confident | 42 Ų | 42 | 82.6 Ų | 82.6 | 26% | 0.255 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | -179.8 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | L192 K1004 K1005 D1011 K1012 | L192-V1008 HydrophobicContact CD1-CG1 4.13Å; K1004-V1008 WeakPolarHBondContact O-CG2 3.43Å; K1004-V1008 PolarHBondContact O-N 3.34Å; K1004-V1008 VanDerWaalsContact O-N 3.09Å; K1005-V1008 PolarHBondContact O-N 3.45Å; K1005-V1008 VanDerWaalsContact O-N 3.15Å; V1008-D1011 PolarHBondContact O-N 3.17Å; V1008-K1012 WeakPolarHBondContact O-CB 3.26Å; V1008-K1012 PolarHBondContact O-N 2.86Å |
| 1009 | E | 84.6 | Confident | 85.3 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 175.1 | -72.2 | 173.4 | 162.1 | 0 | 0 | 111.8 | L192 K1005 I1007 K1012 A1013 | L192-E1009 HydrophobicContact CD1-CG 3.87Å; K1005-E1009 WeakPolarHBondContact CE-OE1 3.3Å; K1005-E1009 HydrophobicContact CG-CG 4.48Å; K1005-E1009 WeakPolarHBondContact O-CG 3.46Å; K1005-E1009 PolarHBondContact O-N 2.72Å; I1007-E1009 PolarHBondContact O-N 3.01Å; E1009-K1012 WeakPolarHBondContact O-CB 3.39Å; E1009-K1012 PolarHBondContact O-N 3.12Å; E1009-A1013 PolarHBondContact O-N 2.69Å |
| 1010 | N | 87.1 | Confident | 85.4 | Confident | 99 Ų | 99 | 83.4 Ų | 83.4 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.8 | -75.5 | -23.6 | 0 | 0 | 0 | 112.4 | R1006 I1007 K1012 A1013 K1014 | R1006-N1010 WeakPolarHBondContact O-CB 3.46Å; R1006-N1010 VanDerWaalsContact O-CG 3.24Å; R1006-N1010 PolarHBondContact O-N 3.26Å; R1006-N1010 PolarHBondContact O-ND2 2.93Å; I1007-N1010 PolarHBondContact O-N 3.2Å; N1010-K1012 VanDerWaalsContact C-N 3.33Å; N1010-K1012 PolarHBondContact O-N 3.11Å; N1010-A1013 PolarHBondContact O-N 3.45Å; N1010-K1014 WeakPolarHBondContact O-CG 3.22Å; N1010-K1014 PolarHBondContact O-N 3.16Å |
| 1011 | D | 83.1 | Confident | 85.6 | Confident | 63 Ų | 63 | 84 Ų | 84 | 34% | 0.337 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 175.1 | -81.5 | -2.6 | 0 | 0 | 0 | 111.3 | I1007 V1008 K1014 I1015 | I1007-D1011 WeakPolarHBondContact O-CB 3.2Å; I1007-D1011 PolarHBondContact O-N 3.05Å; V1008-D1011 PolarHBondContact O-N 3.17Å; D1011-K1014 PolarHBondContact O-N 2.89Å; D1011-I1015 VanDerWaalsContact O-CG1 3.23Å; D1011-I1015 WeakPolarHBondContact O-CG1 3.39Å; D1011-I1015 PolarHBondContact O-N 3.5Å |
| 1012 | K | 83.6 | Confident | 85.7 | Confident | 73 Ų | 73 | 85.5 Ų | 85.5 | 32% | 0.317 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 175.2 | -179.6 | -172.3 | -179.5 | -179.1 | 0 | 111 | I185 E189 V1008 E1009 N1010 K1014 I1015 L1016 | I185-K1012 HydrophobicContact CG2-CG 4.43Å; E189-K1012 WeakPolarHBondContact OE1-CE 3.29Å; E189-K1012 IonicContact OE1-NZ 3.86Å; E189-K1012 PolarHBondContact OE1-NZ 3.43Å; V1008-K1012 WeakPolarHBondContact O-CB 3.26Å; V1008-K1012 PolarHBondContact O-N 2.86Å; E1009-K1012 WeakPolarHBondContact O-CB 3.39Å; E1009-K1012 PolarHBondContact O-N 3.12Å; N1010-K1012 VanDerWaalsContact C-N 3.33Å; N1010-K1012 PolarHBondContact O-N 3.11Å; K1012-K1014 VanDerWaalsContact C-N 3.32Å; K1012-K1014 PolarHBondContact O-N 2.91Å; K1012-I1015 PolarHBondContact O-N 3.41Å; K1012-L1016 HydrophobicContact CG-CD1 4.16Å; K1012-L1016 WeakPolarHBondContact O-CG 3.36Å; K1012-L1016 PolarHBondContact O-N 2.78Å |
| 1013 | A | 85.3 | Confident | 85.8 | Confident | 53 Ų | 53 | 85.3 Ų | 85.3 | 44% | 0.438 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59 | -44 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1009 N1010 L1016 Q1017 | E1009-A1013 PolarHBondContact O-N 2.69Å; N1010-A1013 PolarHBondContact O-N 3.45Å; A1013-L1016 PolarHBondContact O-N 3.33Å; A1013-Q1017 WeakPolarHBondContact O-CB 3.25Å; A1013-Q1017 PolarHBondContact O-N 3.43Å |
| 1014 | K | 87 | Confident | 85.8 | Confident | 132 Ų | 132 | 84.7 Ų | 84.7 | 57% | 0.574 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 175.4 | -74.9 | 178.1 | -177.5 | 177.9 | 0 | 112.5 | N1010 D1011 K1012 L1016 Q1017 T1018 | N1010-K1014 WeakPolarHBondContact O-CG 3.22Å; N1010-K1014 PolarHBondContact O-N 3.16Å; D1011-K1014 PolarHBondContact O-N 2.89Å; K1012-K1014 VanDerWaalsContact C-N 3.32Å; K1012-K1014 PolarHBondContact O-N 2.91Å; K1014-L1016 VanDerWaalsContact C-N 3.34Å; K1014-L1016 PolarHBondContact O-N 3.31Å; K1014-Q1017 PolarHBondContact O-N 2.94Å; K1014-T1018 PolarHBondContact O-N 2.77Å; K1014-T1018 PolarHBondContact O-OG1 3.43Å |
| 1015 | I | 83.3 | Confident | 86 | Confident | 53 Ų | 53 | 85.2 Ų | 85.2 | 27% | 0.272 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 179 | -66.4 | 163.9 | 0 | 0 | 0 | 110.5 | I185 D1011 K1012 Q1017 T1018 I1019 | I185-I1015 HydrophobicContact CD1-CG2 3.79Å; I185-I1015 HydrophobicContact CG1-CG2 4.34Å; D1011-I1015 VanDerWaalsContact O-CG1 3.23Å; D1011-I1015 WeakPolarHBondContact O-CG1 3.39Å; D1011-I1015 PolarHBondContact O-N 3.5Å; K1012-I1015 PolarHBondContact O-N 3.41Å; I1015-Q1017 VanDerWaalsContact C-N 3.34Å; I1015-Q1017 PolarHBondContact O-N 3.14Å; I1015-T1018 PolarHBondContact O-N 3.4Å; I1015-I1019 HydrophobicContact CG2-CD1 3.91Å; I1015-I1019 HydrophobicContact CG2-CG1 4.45Å; I1015-I1019 VanDerWaalsContact O-CG1 3.29Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.06Å; I1015-I1019 PolarHBondContact O-N 3.31Å |
| 1016 | L | 84.6 | Confident | 86 | Confident | 88 Ų | 88 | 84.7 Ų | 84.7 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.1 | -71.6 | 172.8 | 0 | 0 | 0 | 112.1 | I185 K1012 A1013 K1014 I1019 K1020 | I185-L1016 HydrophobicContact CD1-CD2 4.34Å; K1012-L1016 HydrophobicContact CG-CD1 4.16Å; K1012-L1016 WeakPolarHBondContact O-CG 3.36Å; K1012-L1016 PolarHBondContact O-N 2.78Å; A1013-L1016 PolarHBondContact O-N 3.33Å; K1014-L1016 VanDerWaalsContact C-N 3.34Å; K1014-L1016 PolarHBondContact O-N 3.31Å; L1016-I1019 PolarHBondContact O-N 2.89Å; L1016-K1020 PolarHBondContact O-N 3.45Å |
| 1017 | Q | 88.6 | Confident | 85.9 | Confident | 116 Ų | 116 | 80.1 Ų | 80.1 | 54% | 0.542 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | 174.7 | -177.1 | 179.6 | -12.4 | 0 | 0 | 111.3 | A1013 K1014 I1015 I1019 K1020 E1021 | A1013-Q1017 WeakPolarHBondContact O-CB 3.25Å; A1013-Q1017 PolarHBondContact O-N 3.43Å; K1014-Q1017 PolarHBondContact O-N 2.94Å; I1015-Q1017 VanDerWaalsContact C-N 3.34Å; I1015-Q1017 PolarHBondContact O-N 3.14Å; Q1017-I1019 VanDerWaalsContact C-N 3.32Å; Q1017-I1019 PolarHBondContact O-N 3.36Å; Q1017-K1020 WeakPolarHBondContact O-CB 3.44Å; Q1017-K1020 PolarHBondContact O-N 3.48Å; Q1017-K1020 VanDerWaalsContact O-N 3.12Å; Q1017-E1021 WeakPolarHBondContact CG-OE1 3.08Å; Q1017-E1021 PolarHBondContact NE2-OE1 2.88Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.1Å; Q1017-E1021 PolarHBondContact O-N 3Å |
| 1018 | T | 86.9 | Confident | 85.9 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 42% | 0.423 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 177 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | K1014 I1015 K1020 E1021 L1022 | K1014-T1018 PolarHBondContact O-N 2.77Å; K1014-T1018 PolarHBondContact O-OG1 3.43Å; I1015-T1018 PolarHBondContact O-N 3.4Å; T1018-K1020 VanDerWaalsContact C-N 3.33Å; T1018-K1020 PolarHBondContact O-N 3.14Å; T1018-E1021 PolarHBondContact O-N 3.41Å; T1018-L1022 HydrophobicContact CG2-CD1 3.85Å; T1018-L1022 HydrophobicContact CG2-CG 4.25Å; T1018-L1022 WeakPolarHBondContact O-CB 3.42Å; T1018-L1022 VanDerWaalsContact O-CG 3.25Å; T1018-L1022 WeakPolarHBondContact O-CG 3.36Å; T1018-L1022 PolarHBondContact O-N 3.4Å |
| 1019 | I | 87.1 | Confident | 86 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 11% | 0.113 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 173.8 | -70.9 | 167.1 | 0 | 0 | 0 | 110.4 | Y174 K178 I185 I1015 L1016 Q1017 E1021 L1022 D1023 | Y174-I1019 PolarHBondContact OH-O 3.21Å; K178-I1019 HydrophobicContact CD-CG2 4.33Å; K178-I1019 HydrophobicContact CG-CG2 4.36Å; I185-I1019 HydrophobicContact CD1-CD1 4.37Å; I1015-I1019 HydrophobicContact CG2-CD1 3.91Å; I1015-I1019 HydrophobicContact CG2-CG1 4.45Å; I1015-I1019 VanDerWaalsContact O-CG1 3.29Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.06Å; I1015-I1019 PolarHBondContact O-N 3.31Å; L1016-I1019 PolarHBondContact O-N 2.89Å; Q1017-I1019 VanDerWaalsContact C-N 3.32Å; Q1017-I1019 PolarHBondContact O-N 3.36Å; I1019-E1021 PolarHBondContact O-N 3.48Å; I1019-L1022 PolarHBondContact O-N 3.06Å; I1019-D1023 WeakPolarHBondContact O-CB 3.01Å; I1019-D1023 VanDerWaalsContact O-CG 3.31Å; I1019-D1023 PolarHBondContact O-N 3.4Å |
| 1020 | K | 88.1 | Confident | 86.1 | Confident | 162 Ų | 162 | 77 Ų | 77 | 70% | 0.704 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 178.2 | -170.9 | 179.8 | 179.6 | -177.9 | 0 | 112.3 | L1016 Q1017 T1018 D1023 Q1024 | L1016-K1020 PolarHBondContact O-N 3.45Å; Q1017-K1020 WeakPolarHBondContact O-CB 3.44Å; Q1017-K1020 PolarHBondContact O-N 3.48Å; Q1017-K1020 VanDerWaalsContact O-N 3.12Å; T1018-K1020 VanDerWaalsContact C-N 3.33Å; T1018-K1020 PolarHBondContact O-N 3.14Å; K1020-D1023 PolarHBondContact O-N 3.32Å; K1020-Q1024 PolarHBondContact O-N 3.38Å |
| 1021 | E | 88.4 | Confident | 86.1 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 177 | -70.9 | 172.7 | -166.8 | 0 | 0 | 112 | Q1017 T1018 I1019 Q1024 K1025 | Q1017-E1021 WeakPolarHBondContact CG-OE1 3.08Å; Q1017-E1021 PolarHBondContact NE2-OE1 2.88Å; Q1017-E1021 WeakPolarHBondContact O-CG 3.1Å; Q1017-E1021 PolarHBondContact O-N 3Å; T1018-E1021 PolarHBondContact O-N 3.41Å; I1019-E1021 PolarHBondContact O-N 3.48Å; E1021-Q1024 PolarHBondContact O-N 2.88Å; E1021-K1025 PolarHBondContact O-N 3.48Å |
| 1022 | L | 85.8 | Confident | 86.3 | Confident | 70 Ų | 70 | 77.7 Ų | 77.7 | 37% | 0.366 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.7 | -34.5 | 178.2 | -69.9 | 175.3 | 0 | 0 | 0 | 112.6 | Y174 T1018 I1019 Q1024 K1025 K1026 | Y174-L1022 HydrophobicContact CD2-CB 4.02Å; Y174-L1022 HydrophobicContact CD2-CD1 3.98Å; Y174-L1022 HydrophobicContact CE1-CB 4.44Å; Y174-L1022 HydrophobicContact CE2-CB 3.26Å; Y174-L1022 HydrophobicContact CE2-CD1 3.52Å; Y174-L1022 HydrophobicContact CE2-CG 4Å; Y174-L1022 VanDerWaalsContact CZ-CB 3.49Å; Y174-L1022 WeakPolarHBondContact OH-CB 3.43Å; T1018-L1022 HydrophobicContact CG2-CD1 3.85Å; T1018-L1022 HydrophobicContact CG2-CG 4.25Å; T1018-L1022 WeakPolarHBondContact O-CB 3.42Å; T1018-L1022 VanDerWaalsContact O-CG 3.25Å; T1018-L1022 WeakPolarHBondContact O-CG 3.36Å; T1018-L1022 PolarHBondContact O-N 3.4Å; I1019-L1022 PolarHBondContact O-N 3.06Å; L1022-Q1024 VanDerWaalsContact C-N 3.31Å; L1022-Q1024 PolarHBondContact O-N 3.46Å; L1022-K1025 PolarHBondContact O-N 3.45Å; L1022-K1026 WeakPolarHBondContact O-CB 3.37Å; L1022-K1026 PolarHBondContact O-N 3.3Å |
| 1023 | D | 85.5 | Confident | 86.5 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 21% | 0.214 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 173.2 | -80.9 | -12.7 | 0 | 0 | 0 | 111.3 | Y174 K178 I1019 K1020 K1026 N1027 | Y174-D1023 WeakPolarHBondContact CE1-OD1 3.25Å; Y174-D1023 VanDerWaalsContact CZ-OD1 3.32Å; Y174-D1023 PolarHBondContact OH-N 3.25Å; Y174-D1023 PolarHBondContact OH-OD1 2.94Å; K178-D1023 IonicContact NZ-OD1 3.29Å; K178-D1023 PolarHBondContact NZ-OD1 3.48Å; K178-D1023 IonicContact NZ-OD2 2.69Å; K178-D1023 PolarHBondContact NZ-OD2 3.38Å; I1019-D1023 WeakPolarHBondContact O-CB 3.01Å; I1019-D1023 VanDerWaalsContact O-CG 3.31Å; I1019-D1023 PolarHBondContact O-N 3.4Å; K1020-D1023 PolarHBondContact O-N 3.32Å; D1023-K1026 WeakPolarHBondContact O-CB 3.2Å; D1023-K1026 PolarHBondContact O-N 3.44Å; D1023-N1027 VanDerWaalsContact O-CG 3.3Å; D1023-N1027 PolarHBondContact O-N 3.23Å; D1023-N1027 VanDerWaalsContact O-N 3.08Å |
| 1024 | Q | 87.6 | Confident | 86.7 | Confident | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.5 | -49.6 | 175.1 | -175.8 | 176.3 | -7.8 | 0 | 0 | 111.4 | K1020 E1021 L1022 K1026 N1027 E1028 | K1020-Q1024 PolarHBondContact O-N 3.38Å; E1021-Q1024 PolarHBondContact O-N 2.88Å; L1022-Q1024 VanDerWaalsContact C-N 3.31Å; L1022-Q1024 PolarHBondContact O-N 3.46Å; Q1024-K1026 PolarHBondContact O-N 3.23Å; Q1024-N1027 PolarHBondContact O-N 3.13Å; Q1024-N1027 VanDerWaalsContact O-N 3.17Å; Q1024-E1028 PolarHBondContact NE2-OE1 3.32Å; Q1024-E1028 WeakPolarHBondContact O-CG 3.11Å; Q1024-E1028 PolarHBondContact O-N 3.4Å |
| 1025 | K | 86.2 | Confident | 86.8 | Confident | 135 Ų | 135 | 73.2 Ų | 73.2 | 59% | 0.587 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.7 | -34.3 | 176.3 | -71.7 | -177.8 | 179.2 | 178 | 0 | 112.4 | E1021 L1022 A1029 | E1021-K1025 PolarHBondContact O-N 3.48Å; L1022-K1025 PolarHBondContact O-N 3.45Å; K1025-A1029 VanDerWaalsContact O-CB 3.28Å; K1025-A1029 WeakPolarHBondContact O-CB 3.37Å; K1025-A1029 PolarHBondContact O-N 3.3Å |
| 1026 | K | 85.8 | Confident | 87.1 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 12% | 0.122 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.2 | -52.2 | 174.3 | -167.7 | -167.8 | 75.6 | 160.5 | 0 | 110.6 | T171 Y174 E175 L1022 D1023 Q1024 E1028 A1029 L1030 | T171-K1026 HydrophobicContact CG2-CG 3.75Å; Y174-K1026 HydrophobicContact CD1-CB 4.38Å; Y174-K1026 HydrophobicContact CD1-CD 3.84Å; Y174-K1026 HydrophobicContact CD1-CG 4.23Å; Y174-K1026 HydrophobicContact CE1-CB 4.38Å; Y174-K1026 HydrophobicContact CE1-CD 4.04Å; E175-K1026 IonicContact OE2-NZ 3.32Å; E175-K1026 PolarHBondContact OE2-NZ 3.46Å; L1022-K1026 WeakPolarHBondContact O-CB 3.37Å; L1022-K1026 PolarHBondContact O-N 3.3Å; D1023-K1026 WeakPolarHBondContact O-CB 3.2Å; D1023-K1026 PolarHBondContact O-N 3.44Å; Q1024-K1026 PolarHBondContact O-N 3.23Å; K1026-E1028 VanDerWaalsContact C-N 3.33Å; K1026-E1028 PolarHBondContact O-N 3.19Å; K1026-A1029 PolarHBondContact O-N 3.37Å; K1026-L1030 VanDerWaalsContact O-CB 3.31Å; K1026-L1030 WeakPolarHBondContact O-CB 3.18Å; K1026-L1030 PolarHBondContact O-N 3.32Å |
| 1027 | N | 85.7 | Confident | 87.4 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | -176.9 | -66.9 | -12.6 | 0 | 0 | 0 | 111.6 | D1023 Q1024 N1031 | D1023-N1027 VanDerWaalsContact O-CG 3.3Å; D1023-N1027 PolarHBondContact O-N 3.23Å; D1023-N1027 VanDerWaalsContact O-N 3.08Å; Q1024-N1027 PolarHBondContact O-N 3.13Å; Q1024-N1027 VanDerWaalsContact O-N 3.17Å; N1027-N1031 WeakPolarHBondContact O-CB 3.49Å; N1027-N1031 PolarHBondContact O-N 3Å; N1027-N1031 PolarHBondContact O-ND2 3.09Å |
| 1028 | E | 86.8 | Confident | 87.4 | Confident | 101 Ų | 101 | 67.7 Ų | 67.7 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.8 | -49.3 | 173.5 | -71 | 170.6 | -169.4 | 0 | 0 | 111.6 | Q1024 K1026 L1030 N1031 L1032 | Q1024-E1028 PolarHBondContact NE2-OE1 3.32Å; Q1024-E1028 WeakPolarHBondContact O-CG 3.11Å; Q1024-E1028 PolarHBondContact O-N 3.4Å; K1026-E1028 VanDerWaalsContact C-N 3.33Å; K1026-E1028 PolarHBondContact O-N 3.19Å; E1028-L1030 VanDerWaalsContact C-N 3.33Å; E1028-L1030 PolarHBondContact O-N 2.98Å; E1028-N1031 PolarHBondContact O-N 3.48Å; E1028-L1032 WeakPolarHBondContact O-CG 3.08Å; E1028-L1032 PolarHBondContact O-N 3.48Å |
| 1029 | A | 85.3 | Confident | 87.6 | Confident | 39 Ų | 39 | 72.1 Ų | 72.1 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T171 K1025 K1026 A1033 | T171-A1029 HydrophobicContact CG2-CB 4.25Å; K1025-A1029 VanDerWaalsContact O-CB 3.28Å; K1025-A1029 WeakPolarHBondContact O-CB 3.37Å; K1025-A1029 PolarHBondContact O-N 3.3Å; K1026-A1029 PolarHBondContact O-N 3.37Å; A1029-A1033 WeakPolarHBondContact O-CB 3.04Å; A1029-A1033 PolarHBondContact O-N 3.41Å |
| 1030 | L | 86.5 | Confident | 87.6 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 176.4 | -175.1 | 103.1 | 0 | 0 | 0 | 111.9 | L162 E166 K1026 E1028 L1032 A1033 W1034 V1064 L1065 | L162-L1030 HydrophobicContact CD1-CD1 4.15Å; L162-L1030 HydrophobicContact CD1-CD2 4.14Å; E166-L1030 HydrophobicContact CB-CD1 4.15Å; E166-L1030 HydrophobicContact CG-CD1 3.26Å; K1026-L1030 VanDerWaalsContact O-CB 3.31Å; K1026-L1030 WeakPolarHBondContact O-CB 3.18Å; K1026-L1030 PolarHBondContact O-N 3.32Å; E1028-L1030 VanDerWaalsContact C-N 3.33Å; E1028-L1030 PolarHBondContact O-N 2.98Å; L1030-L1032 VanDerWaalsContact C-N 3.33Å; L1030-L1032 PolarHBondContact O-N 3.44Å; L1030-A1033 WeakPolarHBondContact O-CB 3.4Å; L1030-A1033 PolarHBondContact O-N 2.86Å; L1030-A1033 VanDerWaalsContact O-N 3.15Å; L1030-W1034 PolarHBondContact O-N 2.91Å; L1030-V1064 HydrophobicContact CD2-CG1 4.28Å; L1030-L1065 HydrophobicContact CD2-CD2 3.51Å |
| 1031 | N | 87.3 | Confident | 87.7 | Confident | 63 Ų | 63 | 65.2 Ų | 65.2 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 179.2 | -83.6 | -37.2 | 0 | 0 | 0 | 111.7 | N1027 E1028 A1033 W1034 Q1035 | N1027-N1031 WeakPolarHBondContact O-CB 3.49Å; N1027-N1031 PolarHBondContact O-N 3Å; N1027-N1031 PolarHBondContact O-ND2 3.09Å; E1028-N1031 PolarHBondContact O-N 3.48Å; N1031-A1033 VanDerWaalsContact C-N 3.33Å; N1031-W1034 PolarHBondContact O-N 3.4Å; N1031-Q1035 WeakPolarHBondContact O-CG 2.91Å; N1031-Q1035 PolarHBondContact O-N 3.28Å |
| 1032 | L | 87.6 | Confident | 87.6 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 60% | 0.597 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 173.4 | -72.8 | 168.6 | 0 | 0 | 0 | 111.7 | E1028 L1030 K1036 | E1028-L1032 WeakPolarHBondContact O-CG 3.08Å; E1028-L1032 PolarHBondContact O-N 3.48Å; L1030-L1032 VanDerWaalsContact C-N 3.33Å; L1030-L1032 PolarHBondContact O-N 3.44Å; L1032-K1036 WeakPolarHBondContact O-CB 3.31Å; L1032-K1036 PolarHBondContact O-N 2.78Å; L1032-K1036 VanDerWaalsContact O-N 3.1Å |
| 1033 | A | 87.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I165 A169 A1029 L1030 N1031 Q1035 K1036 V1037 F1104 | I165-A1033 HydrophobicContact CG2-CB 4.07Å; A169-A1033 HydrophobicContact CB-CB 3.72Å; A1029-A1033 WeakPolarHBondContact O-CB 3.04Å; A1029-A1033 PolarHBondContact O-N 3.41Å; L1030-A1033 WeakPolarHBondContact O-CB 3.4Å; L1030-A1033 PolarHBondContact O-N 2.86Å; L1030-A1033 VanDerWaalsContact O-N 3.15Å; N1031-A1033 VanDerWaalsContact C-N 3.33Å; A1033-Q1035 PolarHBondContact O-N 3.01Å; A1033-K1036 PolarHBondContact O-N 3.4Å; A1033-V1037 VanDerWaalsContact O-CB 3.3Å; A1033-V1037 WeakPolarHBondContact O-CB 3.18Å; A1033-V1037 VanDerWaalsContact O-CG2 3.22Å; A1033-V1037 WeakPolarHBondContact O-CG2 3.23Å; A1033-V1037 PolarHBondContact O-N 3.47Å; A1033-F1104 HydrophobicContact CB-CE1 3.77Å; A1033-F1104 HydrophobicContact CB-CE2 3.99Å; A1033-F1104 HydrophobicContact CB-CZ 3.43Å; A1033-F1104 VanDerWaalsContact CB-CZ 3.43Å |
| 1034 | W | 88.9 | Confident | 87.6 | Confident | 50 Ų | 50 | 60 Ų | 60 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 176.8 | 165.9 | 64.7 | 0 | 0 | 0 | 111.7 | L1030 N1031 K1036 N1038 L1056 V1064 | L1030-W1034 PolarHBondContact O-N 2.91Å; N1031-W1034 PolarHBondContact O-N 3.4Å; W1034-K1036 PolarHBondContact O-N 3.35Å; W1034-N1038 WeakPolarHBondContact O-CB 2.97Å; W1034-N1038 PolarHBondContact O-N 2.95Å; W1034-L1056 PolarHBondContact NE1-O 3.37Å; W1034-V1064 HydrophobicContact CB-CG1 4.44Å; W1034-V1064 HydrophobicContact CD2-CG1 4.21Å; W1034-V1064 HydrophobicContact CD2-CG2 4.24Å; W1034-V1064 HydrophobicContact CE3-CG1 4.4Å; W1034-V1064 HydrophobicContact CE3-CG2 4.04Å; W1034-V1064 HydrophobicContact CG-CG1 4.21Å; W1034-V1064 HydrophobicContact CH2-CG2 4.15Å; W1034-V1064 HydrophobicContact CZ2-CG2 4.34Å; W1034-V1064 HydrophobicContact CZ3-CG2 3.99Å |
| 1035 | Q | 89.5 | Confident | 87.6 | Confident | 114 Ų | 114 | 54.3 Ų | 54.3 | 53% | 0.533 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | -180 | -73.9 | 177.7 | 0.3 | 0 | 0 | 112.4 | N1031 A1033 K1039 | N1031-Q1035 WeakPolarHBondContact O-CG 2.91Å; N1031-Q1035 PolarHBondContact O-N 3.28Å; A1033-Q1035 PolarHBondContact O-N 3.01Å; Q1035-K1039 PolarHBondContact O-N 2.75Å; Q1035-K1039 VanDerWaalsContact O-N 3.13Å |
| 1036 | K | 89.5 | Confident | 87.5 | Confident | 105 Ų | 105 | 50.1 Ų | 50.1 | 46% | 0.457 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.2 | -48.5 | -179.7 | -173.4 | 169.6 | 171.5 | -166.1 | 0 | 111.8 | L1032 A1033 W1034 N1038 K1039 D1040 F1104 | L1032-K1036 WeakPolarHBondContact O-CB 3.31Å; L1032-K1036 PolarHBondContact O-N 2.78Å; L1032-K1036 VanDerWaalsContact O-N 3.1Å; A1033-K1036 PolarHBondContact O-N 3.4Å; W1034-K1036 PolarHBondContact O-N 3.35Å; K1036-N1038 VanDerWaalsContact C-N 3.28Å; K1036-N1038 PolarHBondContact O-N 2.83Å; K1036-K1039 PolarHBondContact O-N 3.37Å; K1036-D1040 PolarHBondContact O-N 3.42Å; K1036-F1104 HydrophobicContact CB-CD2 3.81Å; K1036-F1104 HydrophobicContact CB-CE2 3.93Å; K1036-F1104 HydrophobicContact CD-CD2 3.62Å; K1036-F1104 HydrophobicContact CD-CE2 3.83Å; K1036-F1104 HydrophobicContact CG-CD2 3.79Å; K1036-F1104 HydrophobicContact CG-CE2 4.23Å |
| 1037 | V | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 176.4 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | A1033 K1039 D1040 F1041 L1056 L1097 A1100 M1101 F1104 | A1033-V1037 VanDerWaalsContact O-CB 3.3Å; A1033-V1037 WeakPolarHBondContact O-CB 3.18Å; A1033-V1037 VanDerWaalsContact O-CG2 3.22Å; A1033-V1037 WeakPolarHBondContact O-CG2 3.23Å; A1033-V1037 PolarHBondContact O-N 3.47Å; V1037-K1039 PolarHBondContact O-N 3.29Å; V1037-D1040 PolarHBondContact O-N 3.11Å; V1037-F1041 WeakPolarHBondContact O-CB 3.19Å; V1037-F1041 PolarHBondContact O-N 3.34Å; V1037-L1056 HydrophobicContact CG1-CD1 4.33Å; V1037-L1097 HydrophobicContact CG1-CD1 4.06Å; V1037-A1100 HydrophobicContact CG1-CB 4.29Å; V1037-M1101 HydrophobicContact CG1-CG 4.25Å; V1037-F1104 HydrophobicContact CG2-CB 3.67Å; V1037-F1104 HydrophobicContact CG2-CD1 4.39Å; V1037-F1104 HydrophobicContact CG2-CD2 4.06Å; V1037-F1104 HydrophobicContact CG2-CG 3.77Å |
| 1038 | N | 90.3 | Very high | 87 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 179.3 | -170.2 | 35.1 | 0 | 0 | 0 | 112.4 | W1034 K1036 G1042 K1055 L1056 | W1034-N1038 WeakPolarHBondContact O-CB 2.97Å; W1034-N1038 PolarHBondContact O-N 2.95Å; K1036-N1038 VanDerWaalsContact C-N 3.28Å; K1036-N1038 PolarHBondContact O-N 2.83Å; N1038-G1042 PolarHBondContact O-N 2.74Å; N1038-G1042 VanDerWaalsContact O-N 3.12Å; N1038-K1055 WeakPolarHBondContact OD1-CA 3.47Å; N1038-K1055 WeakPolarHBondContact OD1-CB 3.26Å; N1038-L1056 PolarHBondContact OD1-N 3.32Å |
| 1039 | K | 89.4 | Confident | 86.8 | Confident | 162 Ų | 162 | 46 Ų | 46 | 70% | 0.704 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.7 | -48.6 | 174.6 | -176.6 | -178.8 | 177.7 | -178.6 | 0 | 111.6 | Q1035 K1036 V1037 F1041 G1042 S1043 | Q1035-K1039 PolarHBondContact O-N 2.75Å; Q1035-K1039 VanDerWaalsContact O-N 3.13Å; K1036-K1039 PolarHBondContact O-N 3.37Å; V1037-K1039 PolarHBondContact O-N 3.29Å; K1039-F1041 VanDerWaalsContact C-N 3.32Å; K1039-F1041 PolarHBondContact O-N 3.39Å; K1039-G1042 PolarHBondContact O-N 3.24Å; K1039-S1043 PolarHBondContact O-N 3.32Å; K1039-S1043 VanDerWaalsContact O-N 3.1Å |
| 1040 | D | 88.4 | Confident | 86.5 | Confident | 39 Ų | 39 | 49.2 Ų | 49.2 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | -179.3 | -65.8 | -19.7 | 0 | 0 | 0 | 110.7 | K1036 V1037 S1043 I1044 A1100 | K1036-D1040 PolarHBondContact O-N 3.42Å; V1037-D1040 PolarHBondContact O-N 3.11Å; D1040-S1043 PolarHBondContact O-N 3.25Å; D1040-I1044 WeakPolarHBondContact O-CB 3.43Å; D1040-I1044 WeakPolarHBondContact O-CD1 3.17Å; D1040-I1044 WeakPolarHBondContact O-CG1 3.45Å; D1040-I1044 PolarHBondContact O-N 3.43Å; D1040-A1100 HydrophobicContact CB-CB 4.11Å |
| 1041 | F | 89.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 175.3 | 174.6 | -125.2 | 0 | 0 | 0 | 112.5 | V1037 K1039 S1043 I1044 F1045 A1054 L1056 F1070 V1093 L1097 A1100 | V1037-F1041 WeakPolarHBondContact O-CB 3.19Å; V1037-F1041 PolarHBondContact O-N 3.34Å; K1039-F1041 VanDerWaalsContact C-N 3.32Å; K1039-F1041 PolarHBondContact O-N 3.39Å; F1041-S1043 VanDerWaalsContact C-N 3.33Å; F1041-S1043 PolarHBondContact O-N 2.94Å; F1041-I1044 PolarHBondContact O-N 3.17Å; F1041-F1045 VanDerWaalsContact O-CB 3.31Å; F1041-F1045 WeakPolarHBondContact O-CB 3.05Å; F1041-F1045 PolarHBondContact O-N 3.29Å; F1041-A1054 HydrophobicContact CD1-CB 4.15Å; F1041-A1054 HydrophobicContact CE1-CB 3.41Å; F1041-A1054 VanDerWaalsContact CE1-CB 3.41Å; F1041-A1054 HydrophobicContact CE2-CB 4.27Å; F1041-A1054 HydrophobicContact CZ-CB 3.49Å; F1041-A1054 VanDerWaalsContact CZ-CB 3.49Å; F1041-L1056 HydrophobicContact CD1-CG 4.19Å; F1041-L1056 HydrophobicContact CE1-CD2 4.4Å; F1041-L1056 HydrophobicContact CE1-CG 4.35Å; F1041-F1070 HydrophobicContact CE1-CD1 4.36Å; F1041-F1070 AromaticContact CZ-CD1 3.97Å; F1041-F1070 HydrophobicContact CZ-CD1 3.97Å; F1041-F1070 HydrophobicContact CZ-CE1 4.18Å; F1041-V1093 HydrophobicContact CE2-CG1 4.5Å; F1041-V1093 WeakPolarHBondContact CE2-O 2.94Å; F1041-V1093 HydrophobicContact CZ-CG1 4.05Å; F1041-L1097 VanDerWaalsContact CD2-CA 3.47Å; F1041-L1097 HydrophobicContact CD2-CB 3.91Å; F1041-L1097 HydrophobicContact CD2-CD1 4.35Å; F1041-L1097 HydrophobicContact CE2-CB 3.76Å; F1041-L1097 HydrophobicContact CG-CD1 4.45Å; F1041-A1100 HydrophobicContact CB-CB 3.82Å |
| 1042 | G | 86.7 | Confident | 86 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 19% | 0.186 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1038 K1039 S1046 A1054 | N1038-G1042 PolarHBondContact O-N 2.74Å; N1038-G1042 VanDerWaalsContact O-N 3.12Å; K1039-G1042 PolarHBondContact O-N 3.24Å; G1042-S1046 WeakPolarHBondContact O-CB 3.17Å; G1042-S1046 PolarHBondContact O-N 3.38Å; G1042-S1046 VanDerWaalsContact O-N 3.09Å; G1042-S1046 PolarHBondContact O-OG 3.26Å; G1042-A1054 WeakPolarHBondContact CA-O 3.47Å |
| 1043 | S | 85.2 | Confident | 85.9 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 177.5 | -172.4 | 0 | 0 | 0 | 0 | 112.1 | K1039 D1040 F1041 F1045 S1046 T1047 | K1039-S1043 PolarHBondContact O-N 3.32Å; K1039-S1043 VanDerWaalsContact O-N 3.1Å; D1040-S1043 PolarHBondContact O-N 3.25Å; F1041-S1043 VanDerWaalsContact C-N 3.33Å; F1041-S1043 PolarHBondContact O-N 2.94Å; S1043-F1045 VanDerWaalsContact C-N 3.35Å; S1043-F1045 PolarHBondContact O-N 2.75Å; S1043-S1046 PolarHBondContact O-N 2.64Å; S1043-S1046 PolarHBondContact O-OG 3.37Å; S1043-T1047 PolarHBondContact O-N 2.85Å; S1043-T1047 VanDerWaalsContact O-N 3.14Å; S1043-T1047 PolarHBondContact O-OG1 2.83Å; S1043-T1047 VanDerWaalsContact O-OG1 3.08Å |
| 1044 | I | 85.6 | Confident | 86 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | -178.2 | -67.2 | 163.6 | 0 | 0 | 0 | 110.6 | D1040 F1041 S1046 T1047 L1048 L1099 A1100 L1103 M1130 | D1040-I1044 WeakPolarHBondContact O-CB 3.43Å; D1040-I1044 WeakPolarHBondContact O-CD1 3.17Å; D1040-I1044 WeakPolarHBondContact O-CG1 3.45Å; D1040-I1044 PolarHBondContact O-N 3.43Å; F1041-I1044 PolarHBondContact O-N 3.17Å; I1044-S1046 VanDerWaalsContact C-N 3.34Å; I1044-S1046 PolarHBondContact O-N 2.92Å; I1044-T1047 PolarHBondContact O-N 2.82Å; I1044-L1048 HydrophobicContact CG2-CD1 3.96Å; I1044-L1048 HydrophobicContact CG2-CG 4.38Å; I1044-L1048 WeakPolarHBondContact O-CG 3.49Å; I1044-L1048 PolarHBondContact O-N 3.32Å; I1044-L1099 HydrophobicContact CD1-CB 4.06Å; I1044-L1099 HydrophobicContact CG2-CB 4.32Å; I1044-L1099 HydrophobicContact CG2-CD1 4.23Å; I1044-A1100 HydrophobicContact CD1-CB 3.9Å; I1044-L1103 HydrophobicContact CD1-CD1 3.48Å; I1044-L1103 VanDerWaalsContact CD1-CD1 3.48Å; I1044-L1103 HydrophobicContact CG1-CD1 4.23Å; I1044-M1130 HydrophobicContact CG2-SD 4.1Å |
| 1045 | F | 86.9 | Confident | 86 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 179.6 | -170.7 | -108.1 | 0 | 0 | 0 | 111.7 | F1041 S1043 T1047 L1048 L1049 A1052 A1054 V1072 L1092 V1093 S1096 | F1041-F1045 VanDerWaalsContact O-CB 3.31Å; F1041-F1045 WeakPolarHBondContact O-CB 3.05Å; F1041-F1045 PolarHBondContact O-N 3.29Å; S1043-F1045 VanDerWaalsContact C-N 3.35Å; S1043-F1045 PolarHBondContact O-N 2.75Å; F1045-T1047 VanDerWaalsContact C-N 3.29Å; F1045-T1047 PolarHBondContact O-N 2.71Å; F1045-L1048 PolarHBondContact O-N 3.44Å; F1045-L1049 PolarHBondContact O-N 3.47Å; F1045-A1052 HydrophobicContact CD1-CB 4.25Å; F1045-A1052 HydrophobicContact CE1-CB 3.63Å; F1045-A1052 HydrophobicContact CZ-CB 4.39Å; F1045-A1054 HydrophobicContact CB-CB 4.07Å; F1045-A1054 HydrophobicContact CD1-CB 3.52Å; F1045-A1054 HydrophobicContact CD2-CB 4.45Å; F1045-A1054 HydrophobicContact CE1-CB 4.01Å; F1045-A1054 HydrophobicContact CG-CB 3.75Å; F1045-V1072 HydrophobicContact CE1-CG1 3.78Å; F1045-V1072 HydrophobicContact CZ-CG1 3.89Å; F1045-L1092 HydrophobicContact CE2-CB 4.47Å; F1045-V1093 HydrophobicContact CD2-CG2 4.25Å; F1045-V1093 HydrophobicContact CE2-CB 4.19Å; F1045-V1093 HydrophobicContact CE2-CG2 3.36Å; F1045-V1093 HydrophobicContact CZ-CG2 3.66Å; F1045-S1096 WeakPolarHBondContact CD2-OG 3.47Å |
| 1046 | S | 84.9 | Confident | 86 | Confident | 47 Ų | 47 | 43 Ų | 43 | 33% | 0.329 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.6 | -29.3 | 176.5 | 69.5 | 0 | 0 | 0 | 0 | 113.8 | G1042 S1043 I1044 L1049 A1052 | G1042-S1046 WeakPolarHBondContact O-CB 3.17Å; G1042-S1046 PolarHBondContact O-N 3.38Å; G1042-S1046 VanDerWaalsContact O-N 3.09Å; G1042-S1046 PolarHBondContact O-OG 3.26Å; S1043-S1046 PolarHBondContact O-N 2.64Å; S1043-S1046 PolarHBondContact O-OG 3.37Å; I1044-S1046 VanDerWaalsContact C-N 3.34Å; I1044-S1046 PolarHBondContact O-N 2.92Å; S1046-L1049 CarbonylContact O-C 3.13Å; S1046-A1052 WeakPolarHBondContact CA-O 3.28Å; S1046-A1052 WeakPolarHBondContact CB-O 3.29Å |
| 1047 | T | 81.4 | Confident | 85.9 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 44% | 0.436 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -74.4 | -40.1 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | S1043 I1044 F1045 | S1043-T1047 PolarHBondContact O-N 2.85Å; S1043-T1047 VanDerWaalsContact O-N 3.14Å; S1043-T1047 PolarHBondContact O-OG1 2.83Å; S1043-T1047 VanDerWaalsContact O-OG1 3.08Å; I1044-T1047 PolarHBondContact O-N 2.82Å; F1045-T1047 VanDerWaalsContact C-N 3.29Å; F1045-T1047 PolarHBondContact O-N 2.71Å |
| 1048 | L | 79.6 | Confident | 85.8 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.8 | -32.1 | 179.6 | -69.6 | 177.8 | 0 | 0 | 0 | 112.5 | I1044 F1045 L1092 S1096 L1099 I1127 M1130 | I1044-L1048 HydrophobicContact CG2-CD1 3.96Å; I1044-L1048 HydrophobicContact CG2-CG 4.38Å; I1044-L1048 WeakPolarHBondContact O-CG 3.49Å; I1044-L1048 PolarHBondContact O-N 3.32Å; F1045-L1048 PolarHBondContact O-N 3.44Å; L1048-L1092 HydrophobicContact CD1-CD2 4.41Å; L1048-S1096 WeakPolarHBondContact CD1-OG 3.04Å; L1048-L1099 HydrophobicContact CD1-CD1 4.48Å; L1048-I1127 HydrophobicContact CD2-CG1 3.79Å; L1048-M1130 HydrophobicContact CD2-SD 4.38Å |
| 1049 | L | 81.6 | Confident | 85.5 | Confident | 25 Ų | 25 | 40.1 Ų | 40.1 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -135.7 | 94.5 | 178 | -156 | 133.7 | 0 | 0 | 0 | 110.4 | F1045 S1046 G1051 A1052 L1074 Q1089 L1092 | F1045-L1049 PolarHBondContact O-N 3.47Å; S1046-L1049 CarbonylContact O-C 3.13Å; L1049-G1051 PolarHBondContact O-N 3.42Å; L1049-A1052 HydrophobicContact CB-CB 4.44Å; L1049-A1052 HydrophobicContact CD2-CB 3.37Å; L1049-A1052 PolarHBondContact O-N 3.36Å; L1049-L1074 HydrophobicContact CD2-CD2 4.17Å; L1049-Q1089 HydrophobicContact CD1-CG 3.99Å; L1049-L1092 HydrophobicContact CD1-CD1 3.99Å |
| 1050 | P | 79.9 | Confident | 85 | Confident | 108 Ų | 108 | 39.6 Ų | 39.6 | 70% | 0.701 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 134.7 | 179.7 | -25.5 | 34.5 | 0 | 0 | 0 | 112.2 | ||
| 1051 | G | 78.4 | Confident | 84.3 | Confident | 64 Ų | 64 | 42.1 Ų | 42.1 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 4.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1049 G1075 | L1049-G1051 PolarHBondContact O-N 3.42Å; G1051-G1075 PolarHBondContact O-N 3.01Å |
| 1052 | A | 84.3 | Confident | 83.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1045 S1046 L1049 A1073 L1074 | F1045-A1052 HydrophobicContact CD1-CB 4.25Å; F1045-A1052 HydrophobicContact CE1-CB 3.63Å; F1045-A1052 HydrophobicContact CZ-CB 4.39Å; S1046-A1052 WeakPolarHBondContact CA-O 3.28Å; S1046-A1052 WeakPolarHBondContact CB-O 3.29Å; L1049-A1052 HydrophobicContact CB-CB 4.44Å; L1049-A1052 HydrophobicContact CD2-CB 3.37Å; L1049-A1052 PolarHBondContact O-N 3.36Å; A1052-A1073 CarbonylContact C-O 3.59Å; A1052-A1073 VanDerWaalsContact CA-O 3.26Å; A1052-A1073 WeakPolarHBondContact CA-O 3.26Å; A1052-A1073 WeakPolarHBondContact CB-O 2.96Å; A1052-L1074 HydrophobicContact CB-CD2 3.73Å |
| 1053 | T | 85.9 | Confident | 83.5 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.2 | 176.7 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | A1073 | T1053-A1073 PolarHBondContact N-O 3.32Å; T1053-A1073 PolarHBondContact O-N 2.79Å |
| 1054 | A | 89.1 | Confident | 83.3 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 148.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F1041 G1042 F1045 K1071 V1072 | F1041-A1054 HydrophobicContact CD1-CB 4.15Å; F1041-A1054 HydrophobicContact CE1-CB 3.41Å; F1041-A1054 VanDerWaalsContact CE1-CB 3.41Å; F1041-A1054 HydrophobicContact CE2-CB 4.27Å; F1041-A1054 HydrophobicContact CZ-CB 3.49Å; F1041-A1054 VanDerWaalsContact CZ-CB 3.49Å; G1042-A1054 WeakPolarHBondContact CA-O 3.47Å; F1045-A1054 HydrophobicContact CB-CB 4.07Å; F1045-A1054 HydrophobicContact CD1-CB 3.52Å; F1045-A1054 HydrophobicContact CD2-CB 4.45Å; F1045-A1054 HydrophobicContact CE1-CB 4.01Å; F1045-A1054 HydrophobicContact CG-CB 3.75Å; A1054-K1071 CarbonylContact C-O 3.55Å; A1054-K1071 VanDerWaalsContact CA-O 3.31Å; A1054-K1071 WeakPolarHBondContact CA-O 3.31Å; A1054-V1072 HydrophobicContact CB-CG2 4.26Å |
| 1055 | K | 89.6 | Confident | 83.1 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 159.3 | 175.6 | 70.9 | -173.4 | 174.9 | -167.5 | 0 | 111.7 | N1038 K1071 W1078 | N1038-K1055 WeakPolarHBondContact OD1-CA 3.47Å; N1038-K1055 WeakPolarHBondContact OD1-CB 3.26Å; K1055-K1071 HydrophobicContact CG-CB 3.95Å; K1055-K1071 PolarHBondContact N-O 2.72Å; K1055-K1071 PolarHBondContact O-N 3.48Å; K1055-W1078 HydrophobicContact CB-CH2 4.4Å; K1055-W1078 HydrophobicContact CB-CZ3 4.47Å; K1055-W1078 HydrophobicContact CD-CE3 4.49Å; K1055-W1078 HydrophobicContact CD-CH2 3.53Å; K1055-W1078 HydrophobicContact CD-CZ2 4.18Å; K1055-W1078 HydrophobicContact CD-CZ3 3.72Å; K1055-W1078 HydrophobicContact CG-CH2 3.83Å; K1055-W1078 HydrophobicContact CG-CZ3 3.64Å |
| 1056 | L | 89.2 | Confident | 82.8 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.4 | 169.8 | -62 | 172.9 | 0 | 0 | 0 | 109.1 | I161 I165 W1034 V1037 N1038 F1041 E1069 F1070 L1097 | I161-L1056 HydrophobicContact CG2-CD2 4.31Å; I165-L1056 HydrophobicContact CD1-CD1 3.76Å; W1034-L1056 PolarHBondContact NE1-O 3.37Å; V1037-L1056 HydrophobicContact CG1-CD1 4.33Å; N1038-L1056 PolarHBondContact OD1-N 3.32Å; F1041-L1056 HydrophobicContact CD1-CG 4.19Å; F1041-L1056 HydrophobicContact CE1-CD2 4.4Å; F1041-L1056 HydrophobicContact CE1-CG 4.35Å; L1056-E1069 WeakPolarHBondContact CA-O 3.36Å; L1056-F1070 HydrophobicContact CD2-CD1 3.81Å; L1056-F1070 HydrophobicContact CD2-CE1 4Å; L1056-F1070 HydrophobicContact CD2-CG 4.43Å; L1056-L1097 HydrophobicContact CD1-CD1 3.65Å; L1056-L1097 HydrophobicContact CD2-CD1 4.4Å; L1056-L1097 HydrophobicContact CG-CD1 4.4Å |
| 1057 | A | 87.3 | Confident | 82.9 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 153.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L1068 E1069 K1071 | A1057-L1068 CarbonylContact O-C 3.6Å; A1057-L1068 WeakPolarHBondContact O-CA 3.49Å; A1057-E1069 PolarHBondContact N-O 2.89Å; A1057-E1069 WeakPolarHBondContact O-CG 3.21Å; A1057-E1069 PolarHBondContact O-N 3.44Å; A1057-K1071 HydrophobicContact CB-CD 3.9Å; A1057-K1071 HydrophobicContact CB-CG 4.35Å |
| 1058 | P | 88.5 | Confident | 83.2 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 151.2 | 166 | 27.7 | -31.3 | 0 | 0 | 0 | 110.7 | ||
| 1059 | P | 84.6 | Confident | 83.6 | Confident | 28 Ų | 28 | 49 Ų | 49 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -56 | 155.6 | 172.2 | -24.3 | 33.5 | 0 | 0 | 0 | 112.6 | P158 G1061 C1062 G1067 | P158-P1059 HydrophobicContact CB-CG 4.03Å; P158-P1059 HydrophobicContact CG-CG 4.31Å; P1059-G1061 PolarHBondContact O-N 3.21Å; P1059-C1062 HydrophobicContact CB-CB 4.36Å; P1059-C1062 PolarHBondContact O-N 3.38Å; P1059-G1067 VanDerWaalsContact CD-O 3.25Å; P1059-G1067 WeakPolarHBondContact CD-O 3.27Å |
| 1060 | Q | 78.1 | Confident | 83.9 | Confident | 151 Ų | 151 | 48.5 Ų | 48.5 | 71% | 0.706 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 123.2 | -179.7 | -68.8 | -175.1 | 4.4 | 0 | 0 | 111.6 | ||
| 1061 | G | 74.3 | Confident | 84.2 | Confident | 93 Ų | 93 | 45.4 Ų | 45.4 | 96% | 0.959 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -0.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | P1059 | P1059-G1061 PolarHBondContact O-N 3.21Š|
| 1062 | C | 79.3 | Confident | 84.7 | Confident | 62 Ų | 62 | 42.5 Ų | 42.5 | 42% | 0.419 | 26% | 0.258 | S | S | . | . | trans | -111.8 | 160.5 | -177.2 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | P1059 D1066 | P1059-C1062 HydrophobicContact CB-CB 4.36Å; P1059-C1062 PolarHBondContact O-N 3.38Å; C1062-D1066 HydrophobicContact CB-CB 3.88Å | ||
| 1063 | G | 79.8 | Confident | 84.7 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 35% | 0.351 | 26% | 0.258 | S | S | . | . | trans | -87.7 | 170.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | L1065 D1066 | G1063-L1065 PolarHBondContact O-N 3.25Å; G1063-D1066 PolarHBondContact N-OD2 2.78Å; G1063-D1066 PolarHBondContact O-N 3.47Å; G1063-D1066 VanDerWaalsContact O-N 3.08Å | ||
| 1064 | V | 80.7 | Confident | 84.5 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 13% | 0.133 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.8 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | L162 L1030 W1034 D1066 L1068 | L162-V1064 WeakPolarHBondContact CD1-O 3.2Å; L1030-V1064 HydrophobicContact CD2-CG1 4.28Å; W1034-V1064 HydrophobicContact CB-CG1 4.44Å; W1034-V1064 HydrophobicContact CD2-CG1 4.21Å; W1034-V1064 HydrophobicContact CD2-CG2 4.24Å; W1034-V1064 HydrophobicContact CE3-CG1 4.4Å; W1034-V1064 HydrophobicContact CE3-CG2 4.04Å; W1034-V1064 HydrophobicContact CG-CG1 4.21Å; W1034-V1064 HydrophobicContact CH2-CG2 4.15Å; W1034-V1064 HydrophobicContact CZ2-CG2 4.34Å; W1034-V1064 HydrophobicContact CZ3-CG2 3.99Å; V1064-D1066 VanDerWaalsContact C-N 3.3Å; V1064-D1066 PolarHBondContact O-N 2.68Å; V1064-L1068 HydrophobicContact CG1-CD2 4.28Å |
| 1065 | L | 80.9 | Confident | 84 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -15 | -179.4 | -64.9 | 170.7 | 0 | 0 | 0 | 113.8 | L162 L1030 G1063 | L162-L1065 VanDerWaalsContact CD2-C 3.47Å; L162-L1065 WeakPolarHBondContact CD2-O 3.44Å; L1030-L1065 HydrophobicContact CD2-CD2 3.51Å; G1063-L1065 PolarHBondContact O-N 3.25Å |
| 1066 | D | 82.1 | Confident | 83.2 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 54% | 0.54 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -16.8 | -177.6 | -57.2 | -47.2 | 0 | 0 | 0 | 112.1 | C1062 G1063 V1064 | C1062-D1066 HydrophobicContact CB-CB 3.88Å; G1063-D1066 PolarHBondContact N-OD2 2.78Å; G1063-D1066 PolarHBondContact O-N 3.47Å; G1063-D1066 VanDerWaalsContact O-N 3.08Å; V1064-D1066 VanDerWaalsContact C-N 3.3Å; V1064-D1066 PolarHBondContact O-N 2.68Å |
| 1067 | G | 85.6 | Confident | 82.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | 148.9 | 167.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P158 P1059 | P158-G1067 WeakPolarHBondContact O-CA 3.13Å; P1059-G1067 VanDerWaalsContact CD-O 3.25Å; P1059-G1067 WeakPolarHBondContact CD-O 3.27Å | ||
| 1068 | L | 88.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -132.6 | 137.7 | 178.3 | -68.5 | 170.6 | 0 | 0 | 0 | 111.1 | P158 I161 L162 I165 A1057 V1064 | P158-L1068 WeakPolarHBondContact CA-O 3.4Å; P158-L1068 PolarHBondContact O-N 3.46Å; I161-L1068 HydrophobicContact CB-CB 4.44Å; I161-L1068 VanDerWaalsContact CD1-O 3.31Å; I161-L1068 WeakPolarHBondContact CD1-O 3.25Å; I161-L1068 HydrophobicContact CG2-CB 3.95Å; L162-L1068 HydrophobicContact CD1-CD1 4.19Å; I165-L1068 HydrophobicContact CD1-CD1 3.28Å; I165-L1068 HydrophobicContact CG1-CD1 4.25Å; A1057-L1068 CarbonylContact O-C 3.6Å; A1057-L1068 WeakPolarHBondContact O-CA 3.49Å; V1064-L1068 HydrophobicContact CG1-CD2 4.28Å | ||
| 1069 | E | 87.9 | Confident | 82.1 | Confident | 55 Ų | 55 | 59.5 Ų | 59.5 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.4 | 177.7 | 71.3 | -170.5 | -177.6 | 0 | 0 | 111.4 | L1056 A1057 K1071 | L1056-E1069 WeakPolarHBondContact CA-O 3.36Å; A1057-E1069 PolarHBondContact N-O 2.89Å; A1057-E1069 WeakPolarHBondContact O-CG 3.21Å; A1057-E1069 PolarHBondContact O-N 3.44Å; E1069-K1071 WeakPolarHBondContact OE1-CE 3.23Å; E1069-K1071 IonicContact OE1-NZ 3.66Å; E1069-K1071 PolarHBondContact OE1-NZ 2.72Å |
| 1070 | F | 87.8 | Confident | 81.3 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 6% | 0.061 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 134.2 | 173.9 | -66.8 | -81.2 | 0 | 0 | 0 | 110.6 | V153 I161 F1041 L1056 L1082 V1093 L1097 | V153-F1070 HydrophobicContact CG1-CZ 4.26Å; I161-F1070 HydrophobicContact CD1-CD2 3.7Å; I161-F1070 HydrophobicContact CD1-CE2 3.39Å; I161-F1070 HydrophobicContact CD1-CZ 4.21Å; I161-F1070 HydrophobicContact CG1-CE2 4.2Å; F1041-F1070 HydrophobicContact CE1-CD1 4.36Å; F1041-F1070 AromaticContact CZ-CD1 3.97Å; F1041-F1070 HydrophobicContact CZ-CD1 3.97Å; F1041-F1070 HydrophobicContact CZ-CE1 4.18Å; L1056-F1070 HydrophobicContact CD2-CD1 3.81Å; L1056-F1070 HydrophobicContact CD2-CE1 4Å; L1056-F1070 HydrophobicContact CD2-CG 4.43Å; F1070-L1082 HydrophobicContact CB-CD1 3.89Å; F1070-L1082 HydrophobicContact CB-CD2 4.04Å; F1070-L1082 HydrophobicContact CB-CG 4.2Å; F1070-L1082 HydrophobicContact CD2-CD1 3.74Å; F1070-L1082 HydrophobicContact CG-CD1 4.06Å; F1070-V1093 HydrophobicContact CD1-CG1 3.91Å; F1070-V1093 HydrophobicContact CE1-CG1 4.17Å; F1070-L1097 HydrophobicContact CE1-CB 4.09Å; F1070-L1097 HydrophobicContact CE1-CD2 3.49Å; F1070-L1097 VanDerWaalsContact CE1-CD2 3.49Å; F1070-L1097 HydrophobicContact CE1-CG 4.29Å; F1070-L1097 HydrophobicContact CZ-CD2 3.44Å; F1070-L1097 VanDerWaalsContact CZ-CD2 3.44Å |
| 1071 | K | 87 | Confident | 80.8 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.4 | 165.7 | -64 | -167.6 | 177 | 178.6 | 0 | 109.2 | A1054 K1055 A1057 E1069 W1078 | A1054-K1071 CarbonylContact C-O 3.55Å; A1054-K1071 VanDerWaalsContact CA-O 3.31Å; A1054-K1071 WeakPolarHBondContact CA-O 3.31Å; K1055-K1071 HydrophobicContact CG-CB 3.95Å; K1055-K1071 PolarHBondContact N-O 2.72Å; K1055-K1071 PolarHBondContact O-N 3.48Å; A1057-K1071 HydrophobicContact CB-CD 3.9Å; A1057-K1071 HydrophobicContact CB-CG 4.35Å; E1069-K1071 WeakPolarHBondContact OE1-CE 3.23Å; E1069-K1071 IonicContact OE1-NZ 3.66Å; E1069-K1071 PolarHBondContact OE1-NZ 2.72Å; K1071-W1078 HydrophobicContact CB-CE3 3.92Å; K1071-W1078 HydrophobicContact CB-CZ3 4.08Å |
| 1072 | V | 88.1 | Confident | 80.8 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.7 | -178.8 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | F1045 A1054 K1079 L1082 L1085 V1093 | F1045-V1072 HydrophobicContact CE1-CG1 3.78Å; F1045-V1072 HydrophobicContact CZ-CG1 3.89Å; A1054-V1072 HydrophobicContact CB-CG2 4.26Å; V1072-K1079 PolarHBondContact O-N 3.1Å; V1072-L1082 HydrophobicContact CG2-CD2 3.89Å; V1072-L1085 HydrophobicContact CB-CD1 4.29Å; V1072-L1085 HydrophobicContact CG1-CD1 4.21Å; V1072-L1085 HydrophobicContact CG1-CD2 4.47Å; V1072-L1085 HydrophobicContact CG2-CD1 4.17Å; V1072-V1093 HydrophobicContact CG2-CG1 4.21Å; V1072-V1093 HydrophobicContact CG2-CG2 3.89Å |
| 1073 | A | 85.5 | Confident | 80.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | A1052 T1053 T1077 W1078 | A1052-A1073 CarbonylContact C-O 3.59Å; A1052-A1073 VanDerWaalsContact CA-O 3.26Å; A1052-A1073 WeakPolarHBondContact CA-O 3.26Å; A1052-A1073 WeakPolarHBondContact CB-O 2.96Å; T1053-A1073 PolarHBondContact N-O 3.32Å; T1053-A1073 PolarHBondContact O-N 2.79Å; A1073-T1077 VanDerWaalsContact CA-O 3.24Å; A1073-T1077 WeakPolarHBondContact CA-O 3.44Å; A1073-T1077 WeakPolarHBondContact CB-O 3.1Å; A1073-W1078 HydrophobicContact CB-CD2 3.73Å; A1073-W1078 HydrophobicContact CB-CE3 3.8Å; A1073-W1078 HydrophobicContact CB-CG 4.13Å; A1073-W1078 HydrophobicContact CB-CH2 4.37Å; A1073-W1078 HydrophobicContact CB-CZ2 4.33Å; A1073-W1078 HydrophobicContact CB-CZ3 4.11Å |
| 1074 | L | 81.1 | Confident | 80.2 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 110 | 169.1 | -63.3 | 173.8 | 0 | 0 | 0 | 106 | L1049 A1052 T1077 L1085 | L1049-L1074 HydrophobicContact CD2-CD2 4.17Å; A1052-L1074 HydrophobicContact CB-CD2 3.73Å; L1074-T1077 PolarHBondContact N-O 3.13Å; L1074-T1077 PolarHBondContact O-OG1 3.14Å; L1074-L1085 HydrophobicContact CD1-CD2 3.77Å; L1074-L1085 HydrophobicContact CG-CD2 4.29Å |
| 1075 | G | 79 | Confident | 80 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | -133.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1051 | G1051-G1075 PolarHBondContact O-N 3.01Š|
| 1076 | D | 73.4 | Confident | 79.9 | Confident | 165 Ų | 165 | 63.9 Ų | 63.9 | 88% | 0.882 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.1 | -176 | -66.1 | -37 | 0 | 0 | 0 | 114.3 | ||
| 1077 | T | 79.4 | Confident | 79.5 | Confident | 91 Ų | 91 | 60.9 Ų | 60.9 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.4 | -174.6 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | A1073 L1074 | A1073-T1077 VanDerWaalsContact CA-O 3.24Å; A1073-T1077 WeakPolarHBondContact CA-O 3.44Å; A1073-T1077 WeakPolarHBondContact CB-O 3.1Å; L1074-T1077 PolarHBondContact N-O 3.13Å; L1074-T1077 PolarHBondContact O-OG1 3.14Å |
| 1078 | W | 82.4 | Confident | 79.2 | Confident | 120 Ų | 120 | 61.7 Ų | 61.7 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.6 | 172.6 | -69.4 | 89.7 | 0 | 0 | 0 | 111.1 | K1055 K1071 A1073 | K1055-W1078 HydrophobicContact CB-CH2 4.4Å; K1055-W1078 HydrophobicContact CB-CZ3 4.47Å; K1055-W1078 HydrophobicContact CD-CE3 4.49Å; K1055-W1078 HydrophobicContact CD-CH2 3.53Å; K1055-W1078 HydrophobicContact CD-CZ2 4.18Å; K1055-W1078 HydrophobicContact CD-CZ3 3.72Å; K1055-W1078 HydrophobicContact CG-CH2 3.83Å; K1055-W1078 HydrophobicContact CG-CZ3 3.64Å; K1071-W1078 HydrophobicContact CB-CE3 3.92Å; K1071-W1078 HydrophobicContact CB-CZ3 4.08Å; A1073-W1078 HydrophobicContact CB-CD2 3.73Å; A1073-W1078 HydrophobicContact CB-CE3 3.8Å; A1073-W1078 HydrophobicContact CB-CG 4.13Å; A1073-W1078 HydrophobicContact CB-CH2 4.37Å; A1073-W1078 HydrophobicContact CB-CZ2 4.33Å; A1073-W1078 HydrophobicContact CB-CZ3 4.11Å |
| 1079 | K | 78.9 | Confident | 78.8 | Confident | 76 Ų | 76 | 64.2 Ų | 64.2 | 33% | 0.33 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.7 | 178 | -61.1 | -114.2 | 175.6 | 177.6 | 0 | 109.9 | V1072 E1084 | V1072-K1079 PolarHBondContact O-N 3.1Å; K1079-E1084 HydrophobicContact CD-CB 4.4Å; K1079-E1084 WeakPolarHBondContact CD-OE2 3.2Å; K1079-E1084 WeakPolarHBondContact CE-OE2 3.46Å; K1079-E1084 IonicContact NZ-OE2 2.67Å; K1079-E1084 PolarHBondContact NZ-OE2 3.03Å |
| 1080 | E | 67.5 | Low | 78.6 | Confident | 140 Ų | 140 | 66.1 Ų | 66.1 | 65% | 0.654 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -83.4 | -30 | 178.5 | -64.5 | -155.4 | 145.2 | 0 | 0 | 112.9 | ||
| 1081 | N | 68.6 | Low | 78.4 | Confident | 101 Ų | 101 | 66.1 Ų | 66.1 | 54% | 0.54 | 36% | 0.359 | S | S | . | . | trans | -114.2 | 133.3 | -177.5 | -75.3 | -28.9 | 0 | 0 | 0 | 112.8 | T1083 | N1081-T1083 PolarHBondContact O-N 2.94Š| ||
| 1082 | L | 73 | Confident | 78.2 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -70.5 | -14.4 | 175 | -71.3 | 169.3 | 0 | 0 | 0 | 113.5 | F1070 V1072 E1084 L1085 R1090 V1093 | F1070-L1082 HydrophobicContact CB-CD1 3.89Å; F1070-L1082 HydrophobicContact CB-CD2 4.04Å; F1070-L1082 HydrophobicContact CB-CG 4.2Å; F1070-L1082 HydrophobicContact CD2-CD1 3.74Å; F1070-L1082 HydrophobicContact CG-CD1 4.06Å; V1072-L1082 HydrophobicContact CG2-CD2 3.89Å; L1082-E1084 PolarHBondContact O-N 3.27Å; L1082-L1085 HydrophobicContact CD2-CD1 3.88Å; L1082-L1085 WeakPolarHBondContact O-CB 3.07Å; L1082-L1085 PolarHBondContact O-N 2.9Å; L1082-R1090 WeakPolarHBondContact O-CD 3.16Å; L1082-V1093 HydrophobicContact CD2-CG1 4.3Å |
| 1083 | T | 73.4 | Confident | 78.1 | Confident | 106 Ų | 106 | 64 Ų | 64 | 65% | 0.65 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -66.5 | -24.3 | -177.2 | 42.2 | 0 | 0 | 0 | 0 | 113.6 | N1081 L1085 | N1081-T1083 PolarHBondContact O-N 2.94Å; T1083-L1085 PolarHBondContact O-N 3.48Å |
| 1084 | E | 73 | Confident | 78.1 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -78.5 | -4 | 179.6 | -63.1 | 177.1 | -151.2 | 0 | 0 | 113.4 | K1079 L1082 | K1079-E1084 HydrophobicContact CD-CB 4.4Å; K1079-E1084 WeakPolarHBondContact CD-OE2 3.2Å; K1079-E1084 WeakPolarHBondContact CE-OE2 3.46Å; K1079-E1084 IonicContact NZ-OE2 2.67Å; K1079-E1084 PolarHBondContact NZ-OE2 3.03Å; L1082-E1084 PolarHBondContact O-N 3.27Å |
| 1085 | L | 77.4 | Confident | 78.2 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.047 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -91.8 | 145.7 | 179.5 | -65.1 | 174.4 | 0 | 0 | 0 | 111.7 | V1072 L1074 L1082 T1083 Q1089 R1090 V1093 | V1072-L1085 HydrophobicContact CB-CD1 4.29Å; V1072-L1085 HydrophobicContact CG1-CD1 4.21Å; V1072-L1085 HydrophobicContact CG1-CD2 4.47Å; V1072-L1085 HydrophobicContact CG2-CD1 4.17Å; L1074-L1085 HydrophobicContact CD1-CD2 3.77Å; L1074-L1085 HydrophobicContact CG-CD2 4.29Å; L1082-L1085 HydrophobicContact CD2-CD1 3.88Å; L1082-L1085 WeakPolarHBondContact O-CB 3.07Å; L1082-L1085 PolarHBondContact O-N 2.9Å; T1083-L1085 PolarHBondContact O-N 3.48Å; L1085-Q1089 HydrophobicContact CB-CB 4.23Å; L1085-R1090 HydrophobicContact CB-CG 3.58Å; L1085-R1090 HydrophobicContact CD1-CG 4.42Å; L1085-R1090 PolarHBondContact O-NE 3.09Å; L1085-V1093 HydrophobicContact CD1-CG2 4.07Å |
| 1086 | S | 78.2 | Confident | 78.6 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 43% | 0.427 | 31% | 0.313 | S | S | . | . | trans | -60.7 | 155.8 | 174.6 | 85.6 | 0 | 0 | 0 | 0 | 111.4 | G1088 Q1089 R1090 | S1086-G1088 PolarHBondContact O-N 3.44Å; S1086-Q1089 PolarHBondContact O-N 2.93Å; S1086-Q1089 VanDerWaalsContact O-N 3.13Å; S1086-Q1089 VanDerWaalsContact OG-CG 3.31Å; S1086-Q1089 WeakPolarHBondContact OG-CG 3.46Å; S1086-Q1089 PolarHBondContact OG-N 3.46Å; S1086-R1090 WeakPolarHBondContact O-CG 2.96Å; S1086-R1090 PolarHBondContact O-N 3.1Å | ||
| 1087 | G | 75 | Confident | 79.3 | Confident | 37 Ų | 37 | 51.5 Ų | 51.5 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.6 | -37 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1091 | G1087-S1091 WeakPolarHBondContact O-CB 3.49Å; G1087-S1091 PolarHBondContact O-N 2.73Å; G1087-S1091 VanDerWaalsContact O-N 3.11Å; G1087-S1091 PolarHBondContact O-OG 3.36Å |
| 1088 | G | 77.3 | Confident | 79.5 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 19% | 0.186 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.8 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1086 S1091 L1092 | S1086-G1088 PolarHBondContact O-N 3.44Å; G1088-S1091 WeakPolarHBondContact O-CB 3.47Å; G1088-S1091 PolarHBondContact O-N 3.34Å; G1088-L1092 WeakPolarHBondContact O-CG 3.05Å; G1088-L1092 PolarHBondContact O-N 3.39Å |
| 1089 | Q | 81.8 | Confident | 79.5 | Confident | 52 Ų | 52 | 41.7 Ų | 41.7 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 177.6 | -73.2 | 170.3 | -10.5 | 0 | 0 | 112.3 | L1049 L1085 S1086 S1091 L1092 V1093 | L1049-Q1089 HydrophobicContact CD1-CG 3.99Å; L1085-Q1089 HydrophobicContact CB-CB 4.23Å; S1086-Q1089 PolarHBondContact O-N 2.93Å; S1086-Q1089 VanDerWaalsContact O-N 3.13Å; S1086-Q1089 VanDerWaalsContact OG-CG 3.31Å; S1086-Q1089 WeakPolarHBondContact OG-CG 3.46Å; S1086-Q1089 PolarHBondContact OG-N 3.46Å; Q1089-S1091 VanDerWaalsContact C-N 3.3Å; Q1089-S1091 PolarHBondContact O-N 3.47Å; Q1089-L1092 WeakPolarHBondContact O-CB 2.98Å; Q1089-L1092 PolarHBondContact O-N 3.3Å; Q1089-L1092 VanDerWaalsContact O-N 3.14Å; Q1089-V1093 WeakPolarHBondContact O-CG2 3.37Å; Q1089-V1093 PolarHBondContact O-N 3.37Å |
| 1090 | R | 82.8 | Confident | 79.8 | Confident | 95 Ų | 95 | 38.1 Ų | 38.1 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.3 | -46.2 | 172.8 | -73.1 | -174.7 | -82.8 | 169.2 | -2.1 | 110.8 | L154 L1082 L1085 S1086 L1092 V1093 A1094 | L154-R1090 HydrophobicContact CD1-CB 3.84Å; L154-R1090 HydrophobicContact CD2-CB 4.13Å; L154-R1090 WeakPolarHBondContact CD2-O 3.4Å; L1082-R1090 WeakPolarHBondContact O-CD 3.16Å; L1085-R1090 HydrophobicContact CB-CG 3.58Å; L1085-R1090 HydrophobicContact CD1-CG 4.42Å; L1085-R1090 PolarHBondContact O-NE 3.09Å; S1086-R1090 WeakPolarHBondContact O-CG 2.96Å; S1086-R1090 PolarHBondContact O-N 3.1Å; R1090-L1092 VanDerWaalsContact C-N 3.27Å; R1090-L1092 PolarHBondContact O-N 3.3Å; R1090-V1093 WeakPolarHBondContact O-CB 3.28Å; R1090-V1093 PolarHBondContact O-N 2.99Å; R1090-V1093 VanDerWaalsContact O-N 3.13Å; R1090-A1094 PolarHBondContact O-N 3.06Å |
| 1091 | S | 82.9 | Confident | 80.5 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 11% | 0.105 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -37.5 | 177.5 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | G1087 G1088 Q1089 L1095 | G1087-S1091 WeakPolarHBondContact O-CB 3.49Å; G1087-S1091 PolarHBondContact O-N 2.73Å; G1087-S1091 VanDerWaalsContact O-N 3.11Å; G1087-S1091 PolarHBondContact O-OG 3.36Å; G1088-S1091 WeakPolarHBondContact O-CB 3.47Å; G1088-S1091 PolarHBondContact O-N 3.34Å; Q1089-S1091 VanDerWaalsContact C-N 3.3Å; Q1089-S1091 PolarHBondContact O-N 3.47Å; S1091-L1095 VanDerWaalsContact O-CB 3.29Å; S1091-L1095 WeakPolarHBondContact O-CB 3.3Å; S1091-L1095 PolarHBondContact O-N 2.68Å |
| 1092 | L | 83.5 | Confident | 81 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.8 | -37.9 | 174 | -69.8 | 172.2 | 0 | 0 | 0 | 113.2 | F1045 L1048 L1049 G1088 Q1089 R1090 L1095 S1096 L1119 I1127 | F1045-L1092 HydrophobicContact CE2-CB 4.47Å; L1048-L1092 HydrophobicContact CD1-CD2 4.41Å; L1049-L1092 HydrophobicContact CD1-CD1 3.99Å; G1088-L1092 WeakPolarHBondContact O-CG 3.05Å; G1088-L1092 PolarHBondContact O-N 3.39Å; Q1089-L1092 WeakPolarHBondContact O-CB 2.98Å; Q1089-L1092 PolarHBondContact O-N 3.3Å; Q1089-L1092 VanDerWaalsContact O-N 3.14Å; R1090-L1092 VanDerWaalsContact C-N 3.27Å; R1090-L1092 PolarHBondContact O-N 3.3Å; L1092-L1095 PolarHBondContact O-N 3.15Å; L1092-S1096 VanDerWaalsContact O-CB 3.28Å; L1092-S1096 WeakPolarHBondContact O-CB 3.43Å; L1092-S1096 PolarHBondContact O-N 2.77Å; L1092-S1096 PolarHBondContact O-OG 3.42Å; L1092-L1119 HydrophobicContact CD2-CD1 4.38Å; L1092-L1119 HydrophobicContact CD2-CD2 4.05Å; L1092-L1119 HydrophobicContact CG-CD2 3.99Å; L1092-I1127 HydrophobicContact CD2-CD1 4.1Å |
| 1093 | V | 86.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.6 | -51.5 | 175.2 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | F1041 F1045 F1070 V1072 L1082 L1085 Q1089 R1090 L1095 S1096 L1097 | F1041-V1093 HydrophobicContact CE2-CG1 4.5Å; F1041-V1093 WeakPolarHBondContact CE2-O 2.94Å; F1041-V1093 HydrophobicContact CZ-CG1 4.05Å; F1045-V1093 HydrophobicContact CD2-CG2 4.25Å; F1045-V1093 HydrophobicContact CE2-CB 4.19Å; F1045-V1093 HydrophobicContact CE2-CG2 3.36Å; F1045-V1093 HydrophobicContact CZ-CG2 3.66Å; F1070-V1093 HydrophobicContact CD1-CG1 3.91Å; F1070-V1093 HydrophobicContact CE1-CG1 4.17Å; V1072-V1093 HydrophobicContact CG2-CG1 4.21Å; V1072-V1093 HydrophobicContact CG2-CG2 3.89Å; L1082-V1093 HydrophobicContact CD2-CG1 4.3Å; L1085-V1093 HydrophobicContact CD1-CG2 4.07Å; Q1089-V1093 WeakPolarHBondContact O-CG2 3.37Å; Q1089-V1093 PolarHBondContact O-N 3.37Å; R1090-V1093 WeakPolarHBondContact O-CB 3.28Å; R1090-V1093 PolarHBondContact O-N 2.99Å; R1090-V1093 VanDerWaalsContact O-N 3.13Å; V1093-L1095 PolarHBondContact O-N 3.47Å; V1093-S1096 PolarHBondContact O-N 2.68Å; V1093-L1097 PolarHBondContact O-N 3.49Å; V1093-L1097 VanDerWaalsContact O-N 3.08Å |
| 1094 | A | 84.1 | Confident | 81.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I150 V153 L154 R1090 S1096 L1097 I1098 | I150-A1094 HydrophobicContact CG2-CB 3.9Å; V153-A1094 HydrophobicContact CB-CB 4.13Å; V153-A1094 HydrophobicContact CG1-CB 3.9Å; L154-A1094 HydrophobicContact CD1-CB 4.3Å; L154-A1094 HydrophobicContact CD2-CB 3.78Å; L154-A1094 HydrophobicContact CG-CB 3.64Å; R1090-A1094 PolarHBondContact O-N 3.06Å; A1094-S1096 VanDerWaalsContact C-N 3.31Å; A1094-S1096 PolarHBondContact O-N 3.34Å; A1094-L1097 PolarHBondContact O-N 3.27Å; A1094-I1098 WeakPolarHBondContact O-CD1 3.44Å; A1094-I1098 WeakPolarHBondContact O-CG1 3.01Å; A1094-I1098 PolarHBondContact O-N 3.35Å |
| 1095 | L | 84.6 | Confident | 82 | Confident | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 175.6 | -174 | 64.8 | 0 | 0 | 0 | 111.4 | S1091 L1092 V1093 L1097 I1098 L1099 L1119 I1127 | S1091-L1095 VanDerWaalsContact O-CB 3.29Å; S1091-L1095 WeakPolarHBondContact O-CB 3.3Å; S1091-L1095 PolarHBondContact O-N 2.68Å; L1092-L1095 PolarHBondContact O-N 3.15Å; V1093-L1095 PolarHBondContact O-N 3.47Å; L1095-L1097 PolarHBondContact O-N 2.98Å; L1095-I1098 PolarHBondContact O-N 2.78Å; L1095-L1099 HydrophobicContact CD1-CD1 4.43Å; L1095-L1099 HydrophobicContact CD1-CG 4.46Å; L1095-L1099 HydrophobicContact CG-CD1 3.92Å; L1095-L1099 HydrophobicContact CG-CG 4.38Å; L1095-L1099 WeakPolarHBondContact O-CB 3.38Å; L1095-L1099 WeakPolarHBondContact O-CG 3.49Å; L1095-L1099 PolarHBondContact O-N 3.39Å; L1095-L1119 HydrophobicContact CD2-CD1 4.49Å; L1095-I1127 HydrophobicContact CD2-CD1 3.54Å; L1095-I1127 HydrophobicContact CD2-CG1 4.08Å; L1095-I1127 HydrophobicContact CD2-CG2 4.46Å |
| 1096 | S | 87.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 177.9 | -58.4 | 0 | 0 | 0 | 0 | 112 | F1045 L1048 L1092 V1093 A1094 L1099 A1100 | F1045-S1096 WeakPolarHBondContact CD2-OG 3.47Å; L1048-S1096 WeakPolarHBondContact CD1-OG 3.04Å; L1092-S1096 VanDerWaalsContact O-CB 3.28Å; L1092-S1096 WeakPolarHBondContact O-CB 3.43Å; L1092-S1096 PolarHBondContact O-N 2.77Å; L1092-S1096 PolarHBondContact O-OG 3.42Å; V1093-S1096 PolarHBondContact O-N 2.68Å; A1094-S1096 VanDerWaalsContact C-N 3.31Å; A1094-S1096 PolarHBondContact O-N 3.34Å; S1096-L1099 PolarHBondContact O-N 3.38Å; S1096-A1100 WeakPolarHBondContact O-CB 3.36Å; S1096-A1100 PolarHBondContact O-N 3.41Å |
| 1097 | L | 86.7 | Confident | 82.2 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 175.4 | 176.7 | 63.8 | 0 | 0 | 0 | 110.6 | V153 V1037 F1041 L1056 F1070 V1093 A1094 L1095 L1099 A1100 M1101 | V153-L1097 HydrophobicContact CG1-CD2 4.27Å; V1037-L1097 HydrophobicContact CG1-CD1 4.06Å; F1041-L1097 VanDerWaalsContact CD2-CA 3.47Å; F1041-L1097 HydrophobicContact CD2-CB 3.91Å; F1041-L1097 HydrophobicContact CD2-CD1 4.35Å; F1041-L1097 HydrophobicContact CE2-CB 3.76Å; F1041-L1097 HydrophobicContact CG-CD1 4.45Å; L1056-L1097 HydrophobicContact CD1-CD1 3.65Å; L1056-L1097 HydrophobicContact CD2-CD1 4.4Å; L1056-L1097 HydrophobicContact CG-CD1 4.4Å; F1070-L1097 HydrophobicContact CE1-CB 4.09Å; F1070-L1097 HydrophobicContact CE1-CD2 3.49Å; F1070-L1097 VanDerWaalsContact CE1-CD2 3.49Å; F1070-L1097 HydrophobicContact CE1-CG 4.29Å; F1070-L1097 HydrophobicContact CZ-CD2 3.44Å; F1070-L1097 VanDerWaalsContact CZ-CD2 3.44Å; V1093-L1097 PolarHBondContact O-N 3.49Å; V1093-L1097 VanDerWaalsContact O-N 3.08Å; A1094-L1097 PolarHBondContact O-N 3.27Å; L1095-L1097 PolarHBondContact O-N 2.98Å; L1097-L1099 VanDerWaalsContact C-N 3.33Å; L1097-L1099 PolarHBondContact O-N 3.16Å; L1097-A1100 WeakPolarHBondContact O-CB 3.41Å; L1097-A1100 PolarHBondContact O-N 2.96Å; L1097-M1101 WeakPolarHBondContact O-CG 3.38Å; L1097-M1101 PolarHBondContact O-N 2.81Å |
| 1098 | I | 84.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.7 | -50.6 | 178.8 | -67.8 | 164.7 | 0 | 0 | 0 | 109.7 | I145 I150 V153 A1094 L1095 A1100 M1101 L1102 | I145-I1098 HydrophobicContact CD1-CG2 3.35Å; I145-I1098 HydrophobicContact CG1-CG2 3.87Å; I150-I1098 HydrophobicContact CG1-CD1 4.46Å; V153-I1098 HydrophobicContact CG2-CD1 4.21Å; V153-I1098 HydrophobicContact CG2-CG1 4.45Å; A1094-I1098 WeakPolarHBondContact O-CD1 3.44Å; A1094-I1098 WeakPolarHBondContact O-CG1 3.01Å; A1094-I1098 PolarHBondContact O-N 3.35Å; L1095-I1098 PolarHBondContact O-N 2.78Å; I1098-A1100 VanDerWaalsContact C-N 3.33Å; I1098-A1100 PolarHBondContact O-N 3.24Å; I1098-M1101 HydrophobicContact CG1-CE 4.37Å; I1098-M1101 WeakPolarHBondContact O-CB 3.46Å; I1098-M1101 PolarHBondContact O-N 2.86Å; I1098-M1101 VanDerWaalsContact O-N 3.15Å; I1098-L1102 HydrophobicContact CG2-CG 4.4Å; I1098-L1102 VanDerWaalsContact O-CG 3.3Å; I1098-L1102 WeakPolarHBondContact O-CG 3.37Å; I1098-L1102 PolarHBondContact O-N 3.25Å |
| 1099 | L | 82.3 | Confident | 83 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.9 | -38.5 | 178 | -68.1 | 168.5 | 0 | 0 | 0 | 112.8 | I1044 L1048 L1095 S1096 L1097 M1101 L1102 L1103 M1130 L1131 F1135 | I1044-L1099 HydrophobicContact CD1-CB 4.06Å; I1044-L1099 HydrophobicContact CG2-CB 4.32Å; I1044-L1099 HydrophobicContact CG2-CD1 4.23Å; L1048-L1099 HydrophobicContact CD1-CD1 4.48Å; L1095-L1099 HydrophobicContact CD1-CD1 4.43Å; L1095-L1099 HydrophobicContact CD1-CG 4.46Å; L1095-L1099 HydrophobicContact CG-CD1 3.92Å; L1095-L1099 HydrophobicContact CG-CG 4.38Å; L1095-L1099 WeakPolarHBondContact O-CB 3.38Å; L1095-L1099 WeakPolarHBondContact O-CG 3.49Å; L1095-L1099 PolarHBondContact O-N 3.39Å; S1096-L1099 PolarHBondContact O-N 3.38Å; L1097-L1099 VanDerWaalsContact C-N 3.33Å; L1097-L1099 PolarHBondContact O-N 3.16Å; L1099-M1101 VanDerWaalsContact C-N 3.33Å; L1099-M1101 PolarHBondContact O-N 3.5Å; L1099-L1102 HydrophobicContact CD2-CD1 4.31Å; L1099-L1102 WeakPolarHBondContact O-CB 2.99Å; L1099-L1102 PolarHBondContact O-N 2.72Å; L1099-L1102 VanDerWaalsContact O-N 3.15Å; L1099-L1103 PolarHBondContact O-N 3.49Å; L1099-M1130 HydrophobicContact CD1-CE 3.66Å; L1099-M1130 HydrophobicContact CD1-SD 3.73Å; L1099-M1130 HydrophobicContact CD2-CE 4Å; L1099-M1130 HydrophobicContact CG-CE 4.38Å; L1099-L1131 HydrophobicContact CD2-CD2 4.01Å; L1099-F1135 HydrophobicContact CB-CZ 4.26Å; L1099-F1135 HydrophobicContact CD2-CE2 3.92Å; L1099-F1135 HydrophobicContact CD2-CZ 3.9Å |
| 1100 | A | 86.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1037 D1040 F1041 I1044 S1096 L1097 I1098 L1103 F1104 | V1037-A1100 HydrophobicContact CG1-CB 4.29Å; D1040-A1100 HydrophobicContact CB-CB 4.11Å; F1041-A1100 HydrophobicContact CB-CB 3.82Å; I1044-A1100 HydrophobicContact CD1-CB 3.9Å; S1096-A1100 WeakPolarHBondContact O-CB 3.36Å; S1096-A1100 PolarHBondContact O-N 3.41Å; L1097-A1100 WeakPolarHBondContact O-CB 3.41Å; L1097-A1100 PolarHBondContact O-N 2.96Å; I1098-A1100 VanDerWaalsContact C-N 3.33Å; I1098-A1100 PolarHBondContact O-N 3.24Å; A1100-L1103 PolarHBondContact O-N 3.18Å; A1100-F1104 PolarHBondContact O-N 2.52Å |
| 1101 | M | 81.5 | Confident | 83.6 | Confident | 8 Ų | 8 | 18.2 Ų | 18.2 | 4% | 0.039 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 173.2 | -62.9 | -171.3 | -58.7 | 0 | 0 | 112 | M164 V1037 L1097 I1098 L1099 L1103 F1104 K1105 | M164-M1101 HydrophobicContact CB-SD 4.19Å; M164-M1101 HydrophobicContact CE-CE 3.14Å; M164-M1101 HydrophobicContact CE-SD 3.74Å; V1037-M1101 HydrophobicContact CG1-CG 4.25Å; L1097-M1101 WeakPolarHBondContact O-CG 3.38Å; L1097-M1101 PolarHBondContact O-N 2.81Å; I1098-M1101 HydrophobicContact CG1-CE 4.37Å; I1098-M1101 WeakPolarHBondContact O-CB 3.46Å; I1098-M1101 PolarHBondContact O-N 2.86Å; I1098-M1101 VanDerWaalsContact O-N 3.15Å; L1099-M1101 VanDerWaalsContact C-N 3.33Å; L1099-M1101 PolarHBondContact O-N 3.5Å; M1101-L1103 PolarHBondContact O-N 2.74Å; M1101-F1104 PolarHBondContact O-N 3.07Å; M1101-K1105 PolarHBondContact O-N 3.45Å |
| 1102 | L | 79.6 | Confident | 83.8 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.7 | -30.1 | 176.4 | -62.8 | -165.5 | 0 | 0 | 0 | 112.3 | H142 I145 I1098 L1099 K1105 P1106 Y1110 F1135 | H142-L1102 WeakPolarHBondContact O-CD2 3.12Å; I145-L1102 HydrophobicContact CD1-CD1 4.33Å; I1098-L1102 HydrophobicContact CG2-CG 4.4Å; I1098-L1102 VanDerWaalsContact O-CG 3.3Å; I1098-L1102 WeakPolarHBondContact O-CG 3.37Å; I1098-L1102 PolarHBondContact O-N 3.25Å; L1099-L1102 HydrophobicContact CD2-CD1 4.31Å; L1099-L1102 WeakPolarHBondContact O-CB 2.99Å; L1099-L1102 PolarHBondContact O-N 2.72Å; L1099-L1102 VanDerWaalsContact O-N 3.15Å; L1102-K1105 CarbonylContact O-C 3.59Å; L1102-P1106 WeakPolarHBondContact O-CA 2.9Å; L1102-Y1110 WeakPolarHBondContact CA-OH 2.85Å; L1102-Y1110 HydrophobicContact CB-CE1 4.11Å; L1102-Y1110 HydrophobicContact CB-CE2 4.28Å; L1102-Y1110 WeakPolarHBondContact CB-OH 3.5Å; L1102-Y1110 HydrophobicContact CD1-CD1 3.69Å; L1102-Y1110 HydrophobicContact CD1-CD2 4.35Å; L1102-Y1110 HydrophobicContact CD1-CE1 3.66Å; L1102-Y1110 HydrophobicContact CD1-CE2 4.25Å; L1102-Y1110 HydrophobicContact CD1-CG 4.06Å; L1102-Y1110 HydrophobicContact CD2-CD1 3.98Å; L1102-Y1110 HydrophobicContact CD2-CE1 3.3Å; L1102-Y1110 HydrophobicContact CG-CD1 4.35Å; L1102-Y1110 HydrophobicContact CG-CE1 3.83Å; L1102-Y1110 PolarHBondContact O-OH 3.23Å; L1102-F1135 HydrophobicContact CB-CE1 3.74Å; L1102-F1135 HydrophobicContact CB-CZ 4.19Å |
| 1103 | L | 81.3 | Confident | 84.1 | Confident | 55 Ų | 55 | 17.7 Ų | 17.7 | 29% | 0.288 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -77.1 | -37.1 | 173.6 | -92.8 | 147.6 | 0 | 0 | 0 | 112.6 | I1044 L1099 A1100 M1101 K1105 F1135 | I1044-L1103 HydrophobicContact CD1-CD1 3.48Å; I1044-L1103 VanDerWaalsContact CD1-CD1 3.48Å; I1044-L1103 HydrophobicContact CG1-CD1 4.23Å; L1099-L1103 PolarHBondContact O-N 3.49Å; A1100-L1103 PolarHBondContact O-N 3.18Å; M1101-L1103 PolarHBondContact O-N 2.74Å; L1103-K1105 PolarHBondContact O-N 3Å; L1103-F1135 HydrophobicContact CD1-CE1 4.25Å; L1103-F1135 HydrophobicContact CD1-CE2 4.16Å; L1103-F1135 HydrophobicContact CD1-CZ 3.67Å; L1103-F1135 HydrophobicContact CG-CE1 3.77Å; L1103-F1135 HydrophobicContact CG-CZ 3.73Å |
| 1104 | F | 81.7 | Confident | 84 | Confident | 46 Ų | 46 | 19.6 Ų | 19.6 | 20% | 0.202 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 178.9 | 178.3 | -101.2 | 0 | 0 | 0 | 112.1 | A168 A1033 K1036 V1037 A1100 M1101 | A168-F1104 HydrophobicContact CB-CD1 4.33Å; A1033-F1104 HydrophobicContact CB-CE1 3.77Å; A1033-F1104 HydrophobicContact CB-CE2 3.99Å; A1033-F1104 HydrophobicContact CB-CZ 3.43Å; A1033-F1104 VanDerWaalsContact CB-CZ 3.43Å; K1036-F1104 HydrophobicContact CB-CD2 3.81Å; K1036-F1104 HydrophobicContact CB-CE2 3.93Å; K1036-F1104 HydrophobicContact CD-CD2 3.62Å; K1036-F1104 HydrophobicContact CD-CE2 3.83Å; K1036-F1104 HydrophobicContact CG-CD2 3.79Å; K1036-F1104 HydrophobicContact CG-CE2 4.23Å; V1037-F1104 HydrophobicContact CG2-CB 3.67Å; V1037-F1104 HydrophobicContact CG2-CD1 4.39Å; V1037-F1104 HydrophobicContact CG2-CD2 4.06Å; V1037-F1104 HydrophobicContact CG2-CG 3.77Å; A1100-F1104 PolarHBondContact O-N 2.52Å; M1101-F1104 PolarHBondContact O-N 3.07Å |
| 1105 | K | 77.1 | Confident | 83.8 | Confident | 118 Ų | 118 | 20.3 Ų | 20.3 | 51% | 0.513 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -133.6 | 92.2 | 177.1 | -168.2 | 169.6 | -175.5 | 172.6 | 0 | 110.3 | A168 M1101 L1102 L1103 A1107 | A168-K1105 VanDerWaalsContact O-CD 3.32Å; A168-K1105 WeakPolarHBondContact O-CD 3.23Å; M1101-K1105 PolarHBondContact O-N 3.45Å; L1102-K1105 CarbonylContact O-C 3.59Å; L1103-K1105 PolarHBondContact O-N 3Å; K1105-A1107 PolarHBondContact O-N 3.43Å |
| 1106 | P | 78.6 | Confident | 83.5 | Confident | 85 Ų | 85 | 20.4 Ų | 20.4 | 55% | 0.552 | 11% | 0.107 | S | C | * | . | trans | -67.3 | 129.4 | -174.9 | 26.4 | -33.3 | 0 | 0 | 0 | 111.4 | L1102 Y1110 | L1102-P1106 WeakPolarHBondContact O-CA 2.9Å; P1106-Y1110 WeakPolarHBondContact CA-OH 3.38Å | ||
| 1107 | A | 80.3 | Confident | 83 | Confident | 9 Ų | 9 | 23.4 Ų | 23.4 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | trans | -91.6 | 152.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.1 | L136 F143 K1105 I1109 Y1110 S1138 | L136-A1107 HydrophobicContact CD2-CB 4.26Å; F143-A1107 HydrophobicContact CB-CB 4.05Å; K1105-A1107 PolarHBondContact O-N 3.43Å; A1107-I1109 VanDerWaalsContact C-N 3.26Å; A1107-I1109 PolarHBondContact O-N 3.37Å; A1107-Y1110 HydrophobicContact CB-CD1 4.37Å; A1107-Y1110 HydrophobicContact CB-CE1 3.59Å; A1107-Y1110 PolarHBondContact N-OH 2.81Å; A1107-S1138 WeakPolarHBondContact O-CB 3.39Å; A1107-S1138 PolarHBondContact O-OG 3.09Å | ||
| 1108 | P | 82.6 | Confident | 82.2 | Confident | 20 Ų | 20 | 26.5 Ų | 26.5 | 13% | 0.13 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -65.4 | -28.3 | 179 | 21.1 | -30.7 | 0 | 0 | 0 | 113.7 | M1 V134 L136 Q1139 | M1-P1108 WeakPolarHBondContact O-CB 3.24Å; V134-P1108 VanDerWaalsContact O-CD 3.27Å; V134-P1108 WeakPolarHBondContact O-CD 3.21Å; V134-P1108 WeakPolarHBondContact O-CG 3.45Å; L136-P1108 HydrophobicContact CD1-CG 3.97Å; L136-P1108 HydrophobicContact CD2-CG 3.92Å; L136-P1108 HydrophobicContact CG-CG 3.73Å; P1108-Q1139 PolarHBondContact O-N 3.08Å |
| 1109 | I | 87.8 | Confident | 81.9 | Confident | 7 Ų | 7 | 26.4 Ų | 26.4 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 138.1 | -174.8 | -60.5 | 159 | 0 | 0 | 0 | 108.5 | I3 F83 L136 F143 A1107 I1111 Q1139 | I3-I1109 HydrophobicContact CD1-CD1 4.1Å; I3-I1109 HydrophobicContact CD1-CG2 4.17Å; I3-I1109 HydrophobicContact CG1-CD1 3.66Å; I3-I1109 HydrophobicContact CG1-CG1 4.37Å; F83-I1109 HydrophobicContact CD1-CD1 4.01Å; F83-I1109 HydrophobicContact CE1-CD1 3.59Å; L136-I1109 HydrophobicContact CD1-CD1 4.15Å; L136-I1109 HydrophobicContact CD2-CB 4.44Å; F143-I1109 VanDerWaalsContact CB-O 3.25Å; F143-I1109 WeakPolarHBondContact CB-O 3.5Å; A1107-I1109 VanDerWaalsContact C-N 3.26Å; A1107-I1109 PolarHBondContact O-N 3.37Å; I1109-I1111 HydrophobicContact CG2-CG1 4.28Å; I1109-Q1139 CarbonylContact C-O 3.57Å; I1109-Q1139 WeakPolarHBondContact CA-O 3.47Å; I1109-Q1139 HydrophobicContact CG1-CB 4.45Å |
| 1110 | Y | 88.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.7 | 174.4 | -70.8 | -54.2 | 0 | 0 | 0 | 111.1 | F143 L1102 P1106 A1107 F1135 S1138 Q1139 F1140 V1141 | F143-Y1110 HydrophobicContact CB-CD1 3.71Å; F143-Y1110 HydrophobicContact CB-CE1 3.92Å; F143-Y1110 WeakPolarHBondContact O-CA 3.47Å; L1102-Y1110 WeakPolarHBondContact CA-OH 2.85Å; L1102-Y1110 HydrophobicContact CB-CE1 4.11Å; L1102-Y1110 HydrophobicContact CB-CE2 4.28Å; L1102-Y1110 WeakPolarHBondContact CB-OH 3.5Å; L1102-Y1110 HydrophobicContact CD1-CD1 3.69Å; L1102-Y1110 HydrophobicContact CD1-CD2 4.35Å; L1102-Y1110 HydrophobicContact CD1-CE1 3.66Å; L1102-Y1110 HydrophobicContact CD1-CE2 4.25Å; L1102-Y1110 HydrophobicContact CD1-CG 4.06Å; L1102-Y1110 HydrophobicContact CD2-CD1 3.98Å; L1102-Y1110 HydrophobicContact CD2-CE1 3.3Å; L1102-Y1110 HydrophobicContact CG-CD1 4.35Å; L1102-Y1110 HydrophobicContact CG-CE1 3.83Å; L1102-Y1110 PolarHBondContact O-OH 3.23Å; P1106-Y1110 WeakPolarHBondContact CA-OH 3.38Å; A1107-Y1110 HydrophobicContact CB-CD1 4.37Å; A1107-Y1110 HydrophobicContact CB-CE1 3.59Å; A1107-Y1110 PolarHBondContact N-OH 2.81Å; Y1110-F1135 HydrophobicContact CE2-CD1 4.25Å; Y1110-S1138 VanDerWaalsContact CD2-CB 3.47Å; Y1110-S1138 VanDerWaalsContact CE2-CB 3.46Å; Y1110-S1138 WeakPolarHBondContact CE2-OG 3.36Å; Y1110-Q1139 PolarHBondContact N-O 3.05Å; Y1110-F1140 HydrophobicContact CD2-CD1 4.39Å; Y1110-F1140 AromaticContact CD2-CE1 3.63Å; Y1110-F1140 HydrophobicContact CD2-CE1 3.63Å; Y1110-F1140 AromaticContact CD2-CE2 3.85Å; Y1110-F1140 HydrophobicContact CD2-CE2 3.85Å; Y1110-F1140 AromaticContact CD2-CZ 3.33Å; Y1110-F1140 HydrophobicContact CD2-CZ 3.33Å; Y1110-F1140 HydrophobicContact CE2-CZ 4.08Å; Y1110-F1140 HydrophobicContact CG-CD1 4.39Å; Y1110-F1140 AromaticContact CG-CE1 3.85Å; Y1110-F1140 HydrophobicContact CG-CE1 3.85Å; Y1110-F1140 HydrophobicContact CG-CZ 4.04Å; Y1110-F1140 CarbonylContact O-C 3.48Å; Y1110-F1140 WeakPolarHBondContact O-CA 3.39Å; Y1110-V1141 PolarHBondContact O-N 3.29Å |
| 1111 | I | 88.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.4 | -176.5 | -58.3 | 170.8 | 0 | 0 | 0 | 109.1 | L42 I45 F143 L144 I145 I1109 V1141 | L42-I1111 HydrophobicContact CB-CG2 4.49Å; L42-I1111 HydrophobicContact CD1-CG2 3.92Å; L42-I1111 HydrophobicContact CD2-CG2 3.61Å; L42-I1111 HydrophobicContact CG-CG2 4.22Å; I45-I1111 HydrophobicContact CB-CD1 4.26Å; I45-I1111 HydrophobicContact CD1-CD1 4.49Å; I45-I1111 HydrophobicContact CG2-CD1 3.6Å; F143-I1111 PolarHBondContact O-N 3.32Å; L144-I1111 HydrophobicContact CD1-CB 3.67Å; L144-I1111 HydrophobicContact CD1-CD1 4.19Å; L144-I1111 HydrophobicContact CD1-CG2 3.58Å; I145-I1111 PolarHBondContact N-O 3.07Å; I1109-I1111 HydrophobicContact CG2-CG1 4.28Å; I1111-V1141 WeakPolarHBondContact CA-O 3.17Å |
| 1112 | L | 88.2 | Confident | 81.1 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 125.5 | 179.7 | -57.7 | 175.5 | 0 | 0 | 0 | 109.5 | I145 V1115 L1131 F1140 V1141 V1142 V1143 M1149 | I145-L1112 HydrophobicContact CB-CD2 3.79Å; I145-L1112 HydrophobicContact CD1-CD2 3.24Å; I145-L1112 HydrophobicContact CG1-CD2 4.08Å; I145-L1112 HydrophobicContact CG2-CD2 4.38Å; L1112-V1115 HydrophobicContact CB-CG1 4.11Å; L1112-V1115 HydrophobicContact CB-CG2 4.08Å; L1112-V1115 HydrophobicContact CD1-CG2 4.44Å; L1112-V1115 HydrophobicContact CD2-CG1 4.18Å; L1112-L1131 HydrophobicContact CD1-CD1 3.84Å; L1112-F1140 HydrophobicContact CD1-CD1 4.14Å; L1112-V1141 PolarHBondContact N-O 3.13Å; L1112-V1142 HydrophobicContact CB-CB 4.39Å; L1112-V1142 HydrophobicContact CB-CG1 4.13Å; L1112-V1142 HydrophobicContact CB-CG2 4.02Å; L1112-V1142 HydrophobicContact CD1-CG2 3.81Å; L1112-V1142 HydrophobicContact CG-CG2 4.21Å; L1112-V1142 CarbonylContact O-C 3.53Å; L1112-V1142 WeakPolarHBondContact O-CA 3.19Å; L1112-V1143 PolarHBondContact O-N 3.29Å; L1112-M1149 HydrophobicContact CD1-CE 4.2Å |
| 1113 | D | 88.1 | Confident | 81.1 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 107.1 | -177.7 | -176.5 | 37.1 | 0 | 0 | 0 | 110.6 | L42 R58 I145 M146 V1115 | L42-D1113 HydrophobicContact CD1-CB 3.63Å; R58-D1113 IonicContact CZ-OD2 2.77Å; R58-D1113 VanDerWaalsContact NH2-CG 3.32Å; R58-D1113 IonicContact NH2-OD1 3.79Å; R58-D1113 PolarHBondContact NH2-OD1 3.46Å; R58-D1113 IonicContact NH2-OD2 3.95Å; R58-D1113 PolarHBondContact NH2-OD2 3.03Å; I145-D1113 PolarHBondContact O-N 3.49Å; M146-D1113 HydrophobicContact SD-CB 3.97Å; D1113-V1115 PolarHBondContact O-N 2.67Å |
| 1114 | E | 84.9 | Confident | 81.1 | Confident | 40 Ų | 40 | 39.3 Ų | 39.3 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 51.6 | 33.2 | 176.5 | -61.2 | -175.2 | 176.7 | 0 | 0 | 114.3 | D1116 A1117 V1143 | E1114-D1116 PolarHBondContact O-N 3.26Å; E1114-D1116 VanDerWaalsContact O-N 3.09Å; E1114-A1117 WeakPolarHBondContact O-CB 3.41Å; E1114-A1117 PolarHBondContact O-N 2.59Å; E1114-V1143 HydrophobicContact CG-CG1 4.27Å; E1114-V1143 PolarHBondContact N-O 2.69Å |
| 1115 | V | 79.6 | Confident | 81.1 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 9% | 0.091 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.4 | 178.7 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | I145 I150 L1112 D1113 M1149 | I145-V1115 HydrophobicContact CB-CG1 4.4Å; I145-V1115 HydrophobicContact CG2-CG1 3.67Å; I150-V1115 HydrophobicContact CD1-CB 3.83Å; I150-V1115 HydrophobicContact CD1-CG1 3.94Å; L1112-V1115 HydrophobicContact CB-CG1 4.11Å; L1112-V1115 HydrophobicContact CB-CG2 4.08Å; L1112-V1115 HydrophobicContact CD1-CG2 4.44Å; L1112-V1115 HydrophobicContact CD2-CG1 4.18Å; D1113-V1115 PolarHBondContact O-N 2.67Å; V1115-M1149 HydrophobicContact CG2-CE 4.45Å |
| 1116 | D | 79.5 | Confident | 81.2 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -5 | -178.1 | 62.5 | -35.3 | 0 | 0 | 0 | 113.6 | E1114 A1118 L1119 T1124 S1144 K1146 | E1114-D1116 PolarHBondContact O-N 3.26Å; E1114-D1116 VanDerWaalsContact O-N 3.09Å; D1116-A1118 VanDerWaalsContact C-N 3.31Å; D1116-A1118 PolarHBondContact O-N 3.46Å; D1116-L1119 PolarHBondContact O-N 2.7Å; D1116-L1119 VanDerWaalsContact O-N 3.12Å; D1116-T1124 HydrophobicContact CB-CG2 3.74Å; D1116-S1144 WeakPolarHBondContact OD2-CB 3.07Å; D1116-S1144 PolarHBondContact OD2-OG 3.37Å; D1116-K1146 HydrophobicContact CB-CD 4.22Å; D1116-K1146 WeakPolarHBondContact O-CD 3.24Å; D1116-K1146 VanDerWaalsContact O-CE 3.28Å; D1116-K1146 WeakPolarHBondContact O-CE 3.13Å; D1116-K1146 PolarHBondContact O-NZ 3.35Å; D1116-K1146 VanDerWaalsContact OD2-CB 3.31Å; D1116-K1146 WeakPolarHBondContact OD2-CB 3.02Å; D1116-K1146 WeakPolarHBondContact OD2-CG 3.33Å; D1116-K1146 PolarHBondContact OD2-N 3.48Å |
| 1117 | A | 75.9 | Confident | 81.3 | Confident | 64 Ų | 64 | 34.2 Ų | 34.2 | 53% | 0.529 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -43.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1114 K1146 | E1114-A1117 WeakPolarHBondContact O-CB 3.41Å; E1114-A1117 PolarHBondContact O-N 2.59Å; A1117-K1146 PolarHBondContact O-NZ 3.48Å |
| 1118 | A | 70.9 | Confident | 81.3 | Confident | 67 Ų | 67 | 33.8 Ų | 33.8 | 55% | 0.554 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 10.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1116 | D1116-A1118 VanDerWaalsContact C-N 3.31Å; D1116-A1118 PolarHBondContact O-N 3.46Å |
| 1119 | L | 77.7 | Confident | 81.1 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -110.2 | 142 | -175.2 | -63.1 | 178.2 | 0 | 0 | 0 | 112.7 | L1092 L1095 D1116 H1123 T1124 I1127 K1146 | L1092-L1119 HydrophobicContact CD2-CD1 4.38Å; L1092-L1119 HydrophobicContact CD2-CD2 4.05Å; L1092-L1119 HydrophobicContact CG-CD2 3.99Å; L1095-L1119 HydrophobicContact CD2-CD1 4.49Å; D1116-L1119 PolarHBondContact O-N 2.7Å; D1116-L1119 VanDerWaalsContact O-N 3.12Å; L1119-H1123 HydrophobicContact CB-CB 4.5Å; L1119-T1124 HydrophobicContact CB-CG2 3.91Å; L1119-I1127 HydrophobicContact CD1-CD1 3.4Å; L1119-K1146 PolarHBondContact O-NZ 2.77Å |
| 1120 | D | 79.6 | Confident | 80.7 | Confident | 110 Ų | 110 | 38.4 Ų | 38.4 | 59% | 0.588 | 22% | 0.22 | S | C | * | . | trans | -70.9 | 159.5 | 176.2 | -62.6 | -33.1 | 0 | 0 | 0 | 112.4 | S1122 H1123 T1124 | D1120-S1122 VanDerWaalsContact C-N 3.29Å; D1120-S1122 PolarHBondContact O-N 3.39Å; D1120-H1123 PolarHBondContact O-N 3.27Å; D1120-H1123 VanDerWaalsContact O-N 3.07Å; D1120-T1124 WeakPolarHBondContact O-CG2 3.23Å; D1120-T1124 PolarHBondContact O-N 2.91Å | ||
| 1121 | L | 76.4 | Confident | 80.4 | Confident | 113 Ų | 113 | 38.5 Ų | 38.5 | 59% | 0.592 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -56.8 | -40.8 | -175.5 | -172.1 | 66.6 | 0 | 0 | 0 | 112.5 | H1123 T1124 Q1125 | L1121-H1123 PolarHBondContact O-N 3.21Å; L1121-T1124 WeakPolarHBondContact CA-OG1 2.72Å; L1121-T1124 PolarHBondContact O-N 3.04Å; L1121-T1124 PolarHBondContact O-OG1 3.07Å; L1121-Q1125 PolarHBondContact O-N 3.32Å |
| 1122 | S | 77.3 | Confident | 79.8 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 52% | 0.517 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.7 | 55 | 0 | 0 | 0 | 0 | 112.4 | D1120 Q1125 N1126 | D1120-S1122 VanDerWaalsContact C-N 3.29Å; D1120-S1122 PolarHBondContact O-N 3.39Å; S1122-Q1125 PolarHBondContact O-N 3.38Å; S1122-N1126 PolarHBondContact O-N 3.4Å |
| 1123 | H | 79.3 | Confident | 79.3 | Confident | 42 Ų | 42 | 47.8 Ų | 47.8 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 176.7 | -65.7 | -51.6 | 0 | 0 | 0 | 111.8 | L1119 D1120 L1121 Q1125 N1126 I1127 | L1119-H1123 HydrophobicContact CB-CB 4.5Å; D1120-H1123 PolarHBondContact O-N 3.27Å; D1120-H1123 VanDerWaalsContact O-N 3.07Å; L1121-H1123 PolarHBondContact O-N 3.21Å; H1123-Q1125 VanDerWaalsContact C-N 3.33Å; H1123-Q1125 PolarHBondContact O-N 3.22Å; H1123-N1126 PolarHBondContact O-N 2.97Å; H1123-I1127 WeakPolarHBondContact O-CD1 2.84Å; H1123-I1127 VanDerWaalsContact O-CG1 3.25Å; H1123-I1127 WeakPolarHBondContact O-CG1 3.3Å; H1123-I1127 PolarHBondContact O-N 3.26Å |
| 1124 | T | 80.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -35.8 | 177 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | D1116 L1119 D1120 L1121 I1127 G1128 K1146 | D1116-T1124 HydrophobicContact CB-CG2 3.74Å; L1119-T1124 HydrophobicContact CB-CG2 3.91Å; D1120-T1124 WeakPolarHBondContact O-CG2 3.23Å; D1120-T1124 PolarHBondContact O-N 2.91Å; L1121-T1124 WeakPolarHBondContact CA-OG1 2.72Å; L1121-T1124 PolarHBondContact O-N 3.04Å; L1121-T1124 PolarHBondContact O-OG1 3.07Å; T1124-I1127 PolarHBondContact O-N 3.32Å; T1124-G1128 PolarHBondContact O-N 3.08Å; T1124-K1146 HydrophobicContact CG2-CD 3.97Å |
| 1125 | Q | 81.3 | Confident | 78.1 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -45.7 | 175 | -171.5 | 66.7 | 21 | 0 | 0 | 111.4 | L1121 S1122 H1123 I1127 G1128 Q1129 G1148 N1152 | L1121-Q1125 PolarHBondContact O-N 3.32Å; S1122-Q1125 PolarHBondContact O-N 3.38Å; H1123-Q1125 VanDerWaalsContact C-N 3.33Å; H1123-Q1125 PolarHBondContact O-N 3.22Å; Q1125-I1127 VanDerWaalsContact C-N 3.3Å; Q1125-I1127 PolarHBondContact O-N 3.22Å; Q1125-G1128 PolarHBondContact O-N 3.01Å; Q1125-Q1129 PolarHBondContact O-N 3.43Å; Q1125-G1148 PolarHBondContact OE1-O 3.47Å; Q1125-G1148 VanDerWaalsContact OE1-O 3.11Å; Q1125-N1152 PolarHBondContact NE2-ND2 2.68Å; Q1125-N1152 PolarHBondContact NE2-OD1 2.85Å |
| 1126 | N | 79.6 | Confident | 77.9 | Confident | 66 Ų | 66 | 53.7 Ų | 53.7 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 177.2 | -70.7 | -5.9 | 0 | 0 | 0 | 111.7 | S1122 H1123 Q1129 M1130 | S1122-N1126 PolarHBondContact O-N 3.4Å; H1123-N1126 PolarHBondContact O-N 2.97Å; N1126-Q1129 PolarHBondContact O-N 3.26Å; N1126-M1130 VanDerWaalsContact O-CB 3.22Å; N1126-M1130 WeakPolarHBondContact O-CB 3.16Å; N1126-M1130 PolarHBondContact O-N 3.49Å |
| 1127 | I | 81.8 | Confident | 77.8 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 175.1 | -68.7 | 162.7 | 0 | 0 | 0 | 110.8 | L1048 L1092 L1095 L1119 H1123 T1124 Q1125 Q1129 M1130 L1131 M1149 | L1048-I1127 HydrophobicContact CD2-CG1 3.79Å; L1092-I1127 HydrophobicContact CD2-CD1 4.1Å; L1095-I1127 HydrophobicContact CD2-CD1 3.54Å; L1095-I1127 HydrophobicContact CD2-CG1 4.08Å; L1095-I1127 HydrophobicContact CD2-CG2 4.46Å; L1119-I1127 HydrophobicContact CD1-CD1 3.4Å; H1123-I1127 WeakPolarHBondContact O-CD1 2.84Å; H1123-I1127 VanDerWaalsContact O-CG1 3.25Å; H1123-I1127 WeakPolarHBondContact O-CG1 3.3Å; H1123-I1127 PolarHBondContact O-N 3.26Å; T1124-I1127 PolarHBondContact O-N 3.32Å; Q1125-I1127 VanDerWaalsContact C-N 3.3Å; Q1125-I1127 PolarHBondContact O-N 3.22Å; I1127-Q1129 VanDerWaalsContact C-N 3.31Å; I1127-Q1129 PolarHBondContact O-N 2.7Å; I1127-M1130 PolarHBondContact O-N 3.07Å; I1127-L1131 HydrophobicContact CG2-CD1 4.13Å; I1127-L1131 HydrophobicContact CG2-CG 4.32Å; I1127-L1131 WeakPolarHBondContact O-CG 3.2Å; I1127-L1131 PolarHBondContact O-N 3.43Å; I1127-M1149 HydrophobicContact CG2-CE 3.93Å; I1127-M1149 HydrophobicContact CG2-SD 3.96Å |
| 1128 | G | 78.6 | Confident | 78.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1124 Q1125 R1132 | T1124-G1128 PolarHBondContact O-N 3.08Å; Q1125-G1128 PolarHBondContact O-N 3.01Å; G1128-R1132 PolarHBondContact O-N 3.43Å |
| 1129 | Q | 79.1 | Confident | 79.2 | Confident | 114 Ų | 114 | 55.4 Ų | 55.4 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 174.6 | -169.8 | 172.9 | 3.4 | 0 | 0 | 111.8 | Q1125 N1126 I1127 L1131 R1132 T1133 | Q1125-Q1129 PolarHBondContact O-N 3.43Å; N1126-Q1129 PolarHBondContact O-N 3.26Å; I1127-Q1129 VanDerWaalsContact C-N 3.31Å; I1127-Q1129 PolarHBondContact O-N 2.7Å; Q1129-L1131 PolarHBondContact O-N 3.49Å; Q1129-R1132 PolarHBondContact O-N 3.39Å; Q1129-T1133 PolarHBondContact O-N 3.19Å; Q1129-T1133 PolarHBondContact O-OG1 2.78Å; Q1129-T1133 VanDerWaalsContact O-OG1 3.07Å |
| 1130 | M | 80.5 | Confident | 79.8 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 179 | -174.1 | -129.5 | 66.1 | 0 | 0 | 111.9 | I1044 L1048 L1099 N1126 I1127 R1132 T1133 H1134 F1135 | I1044-M1130 HydrophobicContact CG2-SD 4.1Å; L1048-M1130 HydrophobicContact CD2-SD 4.38Å; L1099-M1130 HydrophobicContact CD1-CE 3.66Å; L1099-M1130 HydrophobicContact CD1-SD 3.73Å; L1099-M1130 HydrophobicContact CD2-CE 4Å; L1099-M1130 HydrophobicContact CG-CE 4.38Å; N1126-M1130 VanDerWaalsContact O-CB 3.22Å; N1126-M1130 WeakPolarHBondContact O-CB 3.16Å; N1126-M1130 PolarHBondContact O-N 3.49Å; I1127-M1130 PolarHBondContact O-N 3.07Å; M1130-R1132 VanDerWaalsContact C-N 3.29Å; M1130-R1132 PolarHBondContact O-N 3.21Å; M1130-T1133 PolarHBondContact O-N 3.31Å; M1130-H1134 WeakPolarHBondContact O-CB 3.43Å; M1130-H1134 PolarHBondContact O-N 2.59Å; M1130-F1135 HydrophobicContact CE-CD2 4.04Å; M1130-F1135 HydrophobicContact CE-CE2 3.59Å |
| 1131 | L | 80.5 | Confident | 80.4 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.7 | -41.8 | 176.2 | -73.6 | 177.8 | 0 | 0 | 0 | 111.3 | L1099 L1112 I1127 Q1129 F1135 F1140 M1149 | L1099-L1131 HydrophobicContact CD2-CD2 4.01Å; L1112-L1131 HydrophobicContact CD1-CD1 3.84Å; I1127-L1131 HydrophobicContact CG2-CD1 4.13Å; I1127-L1131 HydrophobicContact CG2-CG 4.32Å; I1127-L1131 WeakPolarHBondContact O-CG 3.2Å; I1127-L1131 PolarHBondContact O-N 3.43Å; Q1129-L1131 PolarHBondContact O-N 3.49Å; L1131-F1135 HydrophobicContact CD2-CD2 4.17Å; L1131-F1135 HydrophobicContact CD2-CE2 4.38Å; L1131-F1135 PolarHBondContact O-N 2.74Å; L1131-F1140 HydrophobicContact CD1-CD1 4.47Å; L1131-F1140 HydrophobicContact CD2-CD1 3.96Å; L1131-F1140 HydrophobicContact CD2-CE1 3.49Å; L1131-F1140 VanDerWaalsContact CD2-CE1 3.49Å; L1131-F1140 HydrophobicContact CD2-CZ 3.85Å; L1131-M1149 HydrophobicContact CD1-CE 3.42Å; L1131-M1149 VanDerWaalsContact CD1-CE 3.42Å |
| 1132 | R | 76.7 | Confident | 81 | Confident | 110 Ų | 110 | 44.9 Ų | 44.9 | 42% | 0.415 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.6 | -39.8 | 177.6 | -174.5 | 175 | 172.2 | -174.8 | -3.9 | 112.8 | G1128 Q1129 M1130 | G1128-R1132 PolarHBondContact O-N 3.43Å; Q1129-R1132 PolarHBondContact O-N 3.39Å; M1130-R1132 VanDerWaalsContact C-N 3.29Å; M1130-R1132 PolarHBondContact O-N 3.21Å |
| 1133 | T | 76.6 | Confident | 81.6 | Confident | 89 Ų | 89 | 41.3 Ų | 41.3 | 55% | 0.546 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -83.3 | -42.7 | -175.1 | -55.7 | 0 | 0 | 0 | 0 | 113.1 | Q1129 M1130 | Q1129-T1133 PolarHBondContact O-N 3.19Å; Q1129-T1133 PolarHBondContact O-OG1 2.78Å; Q1129-T1133 VanDerWaalsContact O-OG1 3.07Å; M1130-T1133 PolarHBondContact O-N 3.31Å |
| 1134 | H | 73.4 | Confident | 82 | Confident | 93 Ų | 93 | 39.4 Ų | 39.4 | 43% | 0.431 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -91.7 | -20.4 | -170.5 | -75.3 | -87.5 | 0 | 0 | 0 | 114.3 | M1130 | M1130-H1134 WeakPolarHBondContact O-CB 3.43Å; M1130-H1134 PolarHBondContact O-N 2.59Å |
| 1135 | F | 74.1 | Confident | 82.1 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | trans | -119.3 | 64.5 | -174.9 | -63.4 | -95.4 | 0 | 0 | 0 | 113 | L1099 L1102 L1103 Y1110 M1130 L1131 H1137 F1140 | L1099-F1135 HydrophobicContact CB-CZ 4.26Å; L1099-F1135 HydrophobicContact CD2-CE2 3.92Å; L1099-F1135 HydrophobicContact CD2-CZ 3.9Å; L1102-F1135 HydrophobicContact CB-CE1 3.74Å; L1102-F1135 HydrophobicContact CB-CZ 4.19Å; L1103-F1135 HydrophobicContact CD1-CE1 4.25Å; L1103-F1135 HydrophobicContact CD1-CE2 4.16Å; L1103-F1135 HydrophobicContact CD1-CZ 3.67Å; L1103-F1135 HydrophobicContact CG-CE1 3.77Å; L1103-F1135 HydrophobicContact CG-CZ 3.73Å; Y1110-F1135 HydrophobicContact CE2-CD1 4.25Å; M1130-F1135 HydrophobicContact CE-CD2 4.04Å; M1130-F1135 HydrophobicContact CE-CE2 3.59Å; L1131-F1135 HydrophobicContact CD2-CD2 4.17Å; L1131-F1135 HydrophobicContact CD2-CE2 4.38Å; L1131-F1135 PolarHBondContact O-N 2.74Å; F1135-H1137 VanDerWaalsContact C-N 3.28Å; F1135-H1137 PolarHBondContact O-N 2.8Å; F1135-F1140 HydrophobicContact CB-CD2 4.42Å; F1135-F1140 HydrophobicContact CB-CE2 3.26Å; F1135-F1140 HydrophobicContact CB-CZ 3.54Å; F1135-F1140 HydrophobicContact CD1-CE2 4.27Å; F1135-F1140 AromaticContact CD1-CZ 3.75Å; F1135-F1140 HydrophobicContact CD1-CZ 3.75Å; F1135-F1140 HydrophobicContact CD2-CZ 4.06Å; F1135-F1140 HydrophobicContact CE1-CZ 4.43Å; F1135-F1140 AromaticContact CG-CE2 3.83Å; F1135-F1140 HydrophobicContact CG-CE2 3.83Å; F1135-F1140 AromaticContact CG-CZ 3.53Å; F1135-F1140 HydrophobicContact CG-CZ 3.53Å | ||
| 1136 | T | 76.6 | Confident | 82.2 | Confident | 75 Ų | 75 | 42.2 Ų | 42.2 | 46% | 0.46 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.4 | -179 | 60.5 | 0 | 0 | 0 | 0 | 114.9 | L26 | L26-T1136 WeakPolarHBondContact CD2-O 3.41Š|
| 1137 | H | 77.9 | Confident | 82.2 | Confident | 170 Ų | 170 | 44.1 Ų | 44.1 | 79% | 0.787 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 6.6 | -174.3 | -60.5 | 91.5 | 0 | 0 | 0 | 113.2 | F1135 | F1135-H1137 VanDerWaalsContact C-N 3.28Å; F1135-H1137 PolarHBondContact O-N 2.8Å |
| 1138 | S | 86.1 | Confident | 82 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -135.2 | 140.3 | -175.1 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | A1107 Y1110 F1140 | A1107-S1138 WeakPolarHBondContact O-CB 3.39Å; A1107-S1138 PolarHBondContact O-OG 3.09Å; Y1110-S1138 VanDerWaalsContact CD2-CB 3.47Å; Y1110-S1138 VanDerWaalsContact CE2-CB 3.46Å; Y1110-S1138 WeakPolarHBondContact CE2-OG 3.36Å; S1138-F1140 WeakPolarHBondContact O-CD2 3.26Å |
| 1139 | Q | 89.9 | Confident | 82.1 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.9 | 177.8 | -174.4 | -178.8 | 48.1 | 0 | 0 | 110.9 | I3 D24 P25 L26 P1108 I1109 Y1110 | I3-Q1139 PolarHBondContact O-NE2 3.33Å; D24-Q1139 WeakPolarHBondContact O-CG 3.25Å; D24-Q1139 PolarHBondContact O-NE2 3.49Å; P25-Q1139 VanDerWaalsContact O-CA 3.23Å; P25-Q1139 WeakPolarHBondContact O-CA 3.44Å; P25-Q1139 VanDerWaalsContact O-CB 3.3Å; P25-Q1139 WeakPolarHBondContact O-CB 3.31Å; L26-Q1139 CarbonylContact O-C 3.41Å; L26-Q1139 WeakPolarHBondContact O-CA 3.39Å; P1108-Q1139 PolarHBondContact O-N 3.08Å; I1109-Q1139 CarbonylContact C-O 3.57Å; I1109-Q1139 WeakPolarHBondContact CA-O 3.47Å; I1109-Q1139 HydrophobicContact CG1-CB 4.45Å; Y1110-Q1139 PolarHBondContact N-O 3.05Å |
| 1140 | F | 90.3 | Very high | 82.2 | Confident | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 133.1 | 173.1 | -70.2 | -94.7 | 0 | 0 | 0 | 111.3 | L26 F27 N28 Y1110 L1112 L1131 F1135 S1138 V1142 | L26-F1140 PolarHBondContact O-N 3.48Å; F27-F1140 HydrophobicContact CD2-CB 3.9Å; N28-F1140 WeakPolarHBondContact CB-O 3.16Å; N28-F1140 PolarHBondContact N-O 3.44Å; N28-F1140 PolarHBondContact ND2-O 3.41Å; Y1110-F1140 HydrophobicContact CD2-CD1 4.39Å; Y1110-F1140 AromaticContact CD2-CE1 3.63Å; Y1110-F1140 HydrophobicContact CD2-CE1 3.63Å; Y1110-F1140 AromaticContact CD2-CE2 3.85Å; Y1110-F1140 HydrophobicContact CD2-CE2 3.85Å; Y1110-F1140 AromaticContact CD2-CZ 3.33Å; Y1110-F1140 HydrophobicContact CD2-CZ 3.33Å; Y1110-F1140 HydrophobicContact CE2-CZ 4.08Å; Y1110-F1140 HydrophobicContact CG-CD1 4.39Å; Y1110-F1140 AromaticContact CG-CE1 3.85Å; Y1110-F1140 HydrophobicContact CG-CE1 3.85Å; Y1110-F1140 HydrophobicContact CG-CZ 4.04Å; Y1110-F1140 CarbonylContact O-C 3.48Å; Y1110-F1140 WeakPolarHBondContact O-CA 3.39Å; L1112-F1140 HydrophobicContact CD1-CD1 4.14Å; L1131-F1140 HydrophobicContact CD1-CD1 4.47Å; L1131-F1140 HydrophobicContact CD2-CD1 3.96Å; L1131-F1140 HydrophobicContact CD2-CE1 3.49Å; L1131-F1140 VanDerWaalsContact CD2-CE1 3.49Å; L1131-F1140 HydrophobicContact CD2-CZ 3.85Å; F1135-F1140 HydrophobicContact CB-CD2 4.42Å; F1135-F1140 HydrophobicContact CB-CE2 3.26Å; F1135-F1140 HydrophobicContact CB-CZ 3.54Å; F1135-F1140 HydrophobicContact CD1-CE2 4.27Å; F1135-F1140 AromaticContact CD1-CZ 3.75Å; F1135-F1140 HydrophobicContact CD1-CZ 3.75Å; F1135-F1140 HydrophobicContact CD2-CZ 4.06Å; F1135-F1140 HydrophobicContact CE1-CZ 4.43Å; F1135-F1140 AromaticContact CG-CE2 3.83Å; F1135-F1140 HydrophobicContact CG-CE2 3.83Å; F1135-F1140 AromaticContact CG-CZ 3.53Å; F1135-F1140 HydrophobicContact CG-CZ 3.53Å; S1138-F1140 WeakPolarHBondContact O-CD2 3.26Å; F1140-V1142 HydrophobicContact CB-CG2 4.2Å |
| 1141 | V | 90.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 108.2 | 168 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | F23 N28 I30 L42 Y1110 I1111 L1112 | F23-V1141 HydrophobicContact CD1-CG2 4.4Å; F23-V1141 HydrophobicContact CE1-CG1 4.44Å; F23-V1141 HydrophobicContact CE1-CG2 4.31Å; N28-V1141 WeakPolarHBondContact O-CA 3.37Å; I30-V1141 HydrophobicContact CD1-CG1 3.77Å; I30-V1141 HydrophobicContact CG1-CG1 4.4Å; L42-V1141 HydrophobicContact CD2-CG1 3.83Å; Y1110-V1141 PolarHBondContact O-N 3.29Å; I1111-V1141 WeakPolarHBondContact CA-O 3.17Å; L1112-V1141 PolarHBondContact N-O 3.13Å |
| 1142 | V | 90.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.7 | -171.8 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | F27 N28 A29 I30 L1112 F1140 M1149 | F27-V1142 HydrophobicContact CD2-CG2 4.18Å; F27-V1142 HydrophobicContact CE2-CB 3.92Å; F27-V1142 HydrophobicContact CE2-CG2 3.46Å; F27-V1142 VanDerWaalsContact CE2-CG2 3.46Å; F27-V1142 HydrophobicContact CZ-CG2 4.32Å; N28-V1142 PolarHBondContact O-N 3.08Å; A29-V1142 CarbonylContact C-O 3.41Å; A29-V1142 VanDerWaalsContact CA-O 3.31Å; A29-V1142 WeakPolarHBondContact CA-O 3.26Å; I30-V1142 PolarHBondContact N-O 3.26Å; L1112-V1142 HydrophobicContact CB-CB 4.39Å; L1112-V1142 HydrophobicContact CB-CG1 4.13Å; L1112-V1142 HydrophobicContact CB-CG2 4.02Å; L1112-V1142 HydrophobicContact CD1-CG2 3.81Å; L1112-V1142 HydrophobicContact CG-CG2 4.21Å; L1112-V1142 CarbonylContact O-C 3.53Å; L1112-V1142 WeakPolarHBondContact O-CA 3.19Å; F1140-V1142 HydrophobicContact CB-CG2 4.2Å; V1142-M1149 HydrophobicContact CG1-CE 3.69Å; V1142-M1149 HydrophobicContact CG1-CG 4Å; V1142-M1149 HydrophobicContact CG2-CE 4.3Å |
| 1143 | V | 89.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.3 | 165.2 | 173.1 | 0 | 0 | 0 | 0 | 108.3 | I30 K38 L42 L1112 E1114 | I30-V1143 HydrophobicContact CB-CG2 3.93Å; I30-V1143 HydrophobicContact CD1-CG2 4.22Å; I30-V1143 HydrophobicContact CG2-CG2 4.3Å; K38-V1143 HydrophobicContact CB-CG1 4.12Å; K38-V1143 HydrophobicContact CD-CG1 4.46Å; L42-V1143 HydrophobicContact CD1-CB 3.96Å; L42-V1143 HydrophobicContact CD1-CG2 3.35Å; L42-V1143 HydrophobicContact CD2-CG2 4.13Å; L42-V1143 HydrophobicContact CG-CG2 3.57Å; L1112-V1143 PolarHBondContact O-N 3.29Å; E1114-V1143 HydrophobicContact CG-CG1 4.27Å; E1114-V1143 PolarHBondContact N-O 2.69Å |
| 1144 | S | 87.1 | Confident | 83.4 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | trans | -149.4 | 149.7 | 179.8 | 163.6 | 0 | 0 | 0 | 0 | 111.2 | I30 T31 D1116 K1146 M1149 | I30-S1144 PolarHBondContact O-N 3.47Å; T31-S1144 PolarHBondContact OG1-O 3.38Å; D1116-S1144 WeakPolarHBondContact OD2-CB 3.07Å; D1116-S1144 PolarHBondContact OD2-OG 3.37Å; S1144-K1146 PolarHBondContact OG-N 3.05Å; S1144-K1146 VanDerWaalsContact OG-N 3.1Å; S1144-K1146 PolarHBondContact OG-O 3.39Å; S1144-M1149 WeakPolarHBondContact OG-CB 3.09Å | ||
| 1145 | L | 83.4 | Confident | 84.2 | Confident | 72 Ų | 72 | 32 Ų | 32 | 38% | 0.377 | 17% | 0.167 | S | C | . | . | trans | -104.9 | -8.8 | 174.2 | -65.1 | 174.6 | 0 | 0 | 0 | 112.9 | G32 N34 K38 | G32-L1145 VanDerWaalsContact O-CD2 3.26Å; G32-L1145 WeakPolarHBondContact O-CD2 3.1Å; N34-L1145 VanDerWaalsContact OD1-CD1 3.28Å; N34-L1145 WeakPolarHBondContact OD1-CD1 3.19Å; K38-L1145 HydrophobicContact CD-CD2 4.27Å | ||
| 1146 | K | 83.1 | Confident | 85 | Confident | 59 Ų | 59 | 31.8 Ų | 31.8 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | trans | -98.2 | 129.7 | -174.6 | -63.4 | -176.4 | 174.8 | 176.2 | 0 | 111.4 | D1116 A1117 L1119 T1124 S1144 G1148 M1149 F1150 | D1116-K1146 HydrophobicContact CB-CD 4.22Å; D1116-K1146 WeakPolarHBondContact O-CD 3.24Å; D1116-K1146 VanDerWaalsContact O-CE 3.28Å; D1116-K1146 WeakPolarHBondContact O-CE 3.13Å; D1116-K1146 PolarHBondContact O-NZ 3.35Å; D1116-K1146 VanDerWaalsContact OD2-CB 3.31Å; D1116-K1146 WeakPolarHBondContact OD2-CB 3.02Å; D1116-K1146 WeakPolarHBondContact OD2-CG 3.33Å; D1116-K1146 PolarHBondContact OD2-N 3.48Å; A1117-K1146 PolarHBondContact O-NZ 3.48Å; L1119-K1146 PolarHBondContact O-NZ 2.77Å; T1124-K1146 HydrophobicContact CG2-CD 3.97Å; S1144-K1146 PolarHBondContact OG-N 3.05Å; S1144-K1146 VanDerWaalsContact OG-N 3.1Å; S1144-K1146 PolarHBondContact OG-O 3.39Å; K1146-G1148 PolarHBondContact O-N 3.43Å; K1146-M1149 PolarHBondContact O-N 2.94Å; K1146-F1150 WeakPolarHBondContact O-CD1 3.02Å; K1146-F1150 WeakPolarHBondContact O-CE1 3.44Å | ||
| 1147 | D | 79.7 | Confident | 85.8 | Confident | 106 Ų | 106 | 28.3 Ų | 28.3 | 57% | 0.567 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -51.3 | -43.3 | -177.7 | -68 | 1.6 | 0 | 0 | 0 | 112.3 | M1149 F1150 T1151 | D1147-M1149 PolarHBondContact O-N 3.45Å; D1147-F1150 HydrophobicContact CB-CZ 4.26Å; D1147-F1150 PolarHBondContact O-N 2.6Å; D1147-F1150 WeakPolarHBondContact OD1-CZ 3.43Å; D1147-T1151 WeakPolarHBondContact O-CB 3.48Å; D1147-T1151 PolarHBondContact O-N 3.49Å; D1147-T1151 PolarHBondContact O-OG1 3.05Å |
| 1148 | G | 76.9 | Confident | 86.4 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.5 | -21.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1125 K1146 N1152 | Q1125-G1148 PolarHBondContact OE1-O 3.47Å; Q1125-G1148 VanDerWaalsContact OE1-O 3.11Å; K1146-G1148 PolarHBondContact O-N 3.43Å; G1148-N1152 PolarHBondContact O-ND2 3.11Å |
| 1149 | M | 81.2 | Confident | 86.6 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -89.4 | -51.4 | 178.9 | -167.6 | 68.1 | 171.1 | 0 | 0 | 111.7 | L1112 V1115 I1127 L1131 V1142 S1144 K1146 D1147 N1152 | L1112-M1149 HydrophobicContact CD1-CE 4.2Å; V1115-M1149 HydrophobicContact CG2-CE 4.45Å; I1127-M1149 HydrophobicContact CG2-CE 3.93Å; I1127-M1149 HydrophobicContact CG2-SD 3.96Å; L1131-M1149 HydrophobicContact CD1-CE 3.42Å; L1131-M1149 VanDerWaalsContact CD1-CE 3.42Å; V1142-M1149 HydrophobicContact CG1-CE 3.69Å; V1142-M1149 HydrophobicContact CG1-CG 4Å; V1142-M1149 HydrophobicContact CG2-CE 4.3Å; S1144-M1149 WeakPolarHBondContact OG-CB 3.09Å; K1146-M1149 PolarHBondContact O-N 2.94Å; D1147-M1149 PolarHBondContact O-N 3.45Å; M1149-N1152 PolarHBondContact O-N 2.72Å |
| 1150 | F | 82.2 | Confident | 86.5 | Confident | 30 Ų | 30 | 31 Ų | 31 | 13% | 0.132 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -83.4 | -16.2 | -172.4 | 64.6 | -108.3 | 0 | 0 | 0 | 114.3 | A29 K1146 D1147 N1152 A1153 L1156 | A29-F1150 HydrophobicContact CB-CB 3.56Å; K1146-F1150 WeakPolarHBondContact O-CD1 3.02Å; K1146-F1150 WeakPolarHBondContact O-CE1 3.44Å; D1147-F1150 HydrophobicContact CB-CZ 4.26Å; D1147-F1150 PolarHBondContact O-N 2.6Å; D1147-F1150 WeakPolarHBondContact OD1-CZ 3.43Å; F1150-N1152 PolarHBondContact O-N 3.09Å; F1150-A1153 PolarHBondContact O-N 2.87Å; F1150-L1156 HydrophobicContact CB-CD1 3.91Å; F1150-L1156 HydrophobicContact CD2-CD1 4.16Å; F1150-L1156 HydrophobicContact CD2-CD2 4.45Å; F1150-L1156 HydrophobicContact CG-CD1 4.27Å |
| 1151 | T | 82.8 | Confident | 86.4 | Confident | 61 Ų | 61 | 36.3 Ų | 36.3 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -25.1 | 171.2 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | D1147 A1153 | D1147-T1151 WeakPolarHBondContact O-CB 3.48Å; D1147-T1151 PolarHBondContact O-N 3.49Å; D1147-T1151 PolarHBondContact O-OG1 3.05Å; T1151-A1153 VanDerWaalsContact C-N 3.34Å |
| 1152 | N | 82.4 | Confident | 86.2 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -4.8 | 179.1 | -70.9 | -50 | 0 | 0 | 0 | 113.8 | F27 Q1125 G1148 M1149 F1150 | F27-N1152 VanDerWaalsContact CD1-O 3.28Å; F27-N1152 WeakPolarHBondContact CD1-O 3.41Å; F27-N1152 HydrophobicContact CE1-CB 3.95Å; Q1125-N1152 PolarHBondContact NE2-ND2 2.68Å; Q1125-N1152 PolarHBondContact NE2-OD1 2.85Å; G1148-N1152 PolarHBondContact O-ND2 3.11Å; M1149-N1152 PolarHBondContact O-N 2.72Å; F1150-N1152 PolarHBondContact O-N 3.09Å |
| 1153 | A | 85.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 23% | 0.234 | C | C | . | . | trans | -81.6 | 145.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F27 A29 F1150 T1151 L1173 | F27-A1153 HydrophobicContact CD1-CB 4.07Å; F27-A1153 HydrophobicContact CD2-CB 4.11Å; F27-A1153 HydrophobicContact CE1-CB 4.07Å; F27-A1153 HydrophobicContact CE2-CB 4.05Å; F27-A1153 HydrophobicContact CG-CB 4.08Å; F27-A1153 HydrophobicContact CZ-CB 4.04Å; A29-A1153 HydrophobicContact CB-CB 3.48Å; A29-A1153 VanDerWaalsContact CB-CB 3.48Å; F1150-A1153 PolarHBondContact O-N 2.87Å; T1151-A1153 VanDerWaalsContact C-N 3.34Å; A1153-L1173 WeakPolarHBondContact O-CD1 3.42Å | ||
| 1154 | N | 87.9 | Confident | 85.1 | Confident | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -69.4 | -40.4 | 176 | -60.4 | 81.3 | 0 | 0 | 0 | 111.3 | D24 F27 L1173 | D24-N1154 HydrophobicContact CB-CB 4.04Å; F27-N1154 WeakPolarHBondContact CB-OD1 3.29Å; F27-N1154 PolarHBondContact N-OD1 3.15Å; F27-N1154 WeakPolarHBondContact O-CB 3.07Å; F27-N1154 PolarHBondContact O-N 3.03Å; N1154-L1173 PolarHBondContact O-N 3.43Å; N1154-L1173 VanDerWaalsContact O-N 3.09Å |
| 1155 | V | 90.6 | Very high | 85 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 133 | 180 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | D24 F27 N28 A29 F1157 R1170 | D24-V1155 HydrophobicContact CB-CB 4.38Å; D24-V1155 HydrophobicContact CB-CG2 3.8Å; F27-V1155 PolarHBondContact O-N 3.22Å; N28-V1155 WeakPolarHBondContact CA-O 3.36Å; A29-V1155 PolarHBondContact N-O 3.35Å; V1155-F1157 HydrophobicContact CG1-CD2 4.29Å; V1155-F1157 HydrophobicContact CG1-CE1 4.23Å; V1155-F1157 HydrophobicContact CG1-CE2 3.77Å; V1155-F1157 HydrophobicContact CG1-CZ 3.74Å; V1155-R1170 HydrophobicContact CG1-CG 3.9Å |
| 1156 | L | 90.9 | Very high | 85.3 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122.6 | 177.7 | -172.8 | 66 | 0 | 0 | 0 | 110.4 | A29 T31 F1150 K1158 T1171 L1173 | A29-L1156 HydrophobicContact CB-CD1 3.82Å; A29-L1156 CarbonylContact O-C 3.57Å; A29-L1156 WeakPolarHBondContact O-CA 3.46Å; T31-L1156 HydrophobicContact CG2-CD1 3.63Å; T31-L1156 HydrophobicContact CG2-CD2 4.13Å; T31-L1156 HydrophobicContact CG2-CG 4.02Å; F1150-L1156 HydrophobicContact CB-CD1 3.91Å; F1150-L1156 HydrophobicContact CD2-CD1 4.16Å; F1150-L1156 HydrophobicContact CD2-CD2 4.45Å; F1150-L1156 HydrophobicContact CG-CD1 4.27Å; L1156-K1158 VanDerWaalsContact CD2-CE 3.48Å; L1156-K1158 HydrophobicContact CD2-CG 4.3Å; L1156-K1158 HydrophobicContact CG-CG 4.32Å; L1156-T1171 PolarHBondContact N-O 3Å; L1156-T1171 PolarHBondContact O-N 3.03Å; L1156-L1173 HydrophobicContact CB-CD1 4.2Å |
| 1157 | F | 91.9 | Very high | 85.6 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.8 | 171 | -63.1 | -75.7 | 0 | 0 | 0 | 109.5 | I20 F23 N28 A29 I30 T31 V1155 V1168 S1169 R1170 | I20-F1157 HydrophobicContact CG2-CD1 3.83Å; I20-F1157 HydrophobicContact CG2-CE1 3.65Å; I20-F1157 HydrophobicContact CG2-CG 4.5Å; I20-F1157 HydrophobicContact CG2-CZ 4.19Å; F23-F1157 AromaticContact CD1-CE2 3.74Å; F23-F1157 HydrophobicContact CD1-CE2 3.74Å; F23-F1157 HydrophobicContact CD1-CZ 4.1Å; F23-F1157 HydrophobicContact CD2-CE2 4.44Å; F23-F1157 AromaticContact CD2-CZ 3.99Å; F23-F1157 HydrophobicContact CD2-CZ 3.99Å; F23-F1157 HydrophobicContact CE1-CD2 4.38Å; F23-F1157 AromaticContact CE1-CE2 3.67Å; F23-F1157 HydrophobicContact CE1-CE2 3.67Å; F23-F1157 HydrophobicContact CE1-CZ 4.15Å; F23-F1157 HydrophobicContact CE2-CE2 4.38Å; F23-F1157 HydrophobicContact CE2-CZ 4.04Å; F23-F1157 HydrophobicContact CG-CE2 4.13Å; F23-F1157 HydrophobicContact CG-CZ 4.01Å; F23-F1157 HydrophobicContact CZ-CE2 4Å; F23-F1157 HydrophobicContact CZ-CZ 4.11Å; N28-F1157 HydrophobicContact CB-CE2 4.23Å; A29-F1157 PolarHBondContact O-N 2.94Å; I30-F1157 CarbonylContact C-O 3.55Å; I30-F1157 WeakPolarHBondContact CA-O 3.5Å; I30-F1157 HydrophobicContact CG1-CB 4.18Å; I30-F1157 HydrophobicContact CG1-CD2 4.28Å; T31-F1157 PolarHBondContact N-O 3.13Å; V1155-F1157 HydrophobicContact CG1-CD2 4.29Å; V1155-F1157 HydrophobicContact CG1-CE1 4.23Å; V1155-F1157 HydrophobicContact CG1-CE2 3.77Å; V1155-F1157 HydrophobicContact CG1-CZ 3.74Å; F1157-V1168 HydrophobicContact CB-CG1 4.06Å; F1157-V1168 HydrophobicContact CD1-CG1 4.19Å; F1157-S1169 CarbonylContact C-O 3.56Å; F1157-S1169 WeakPolarHBondContact CA-O 2.9Å; F1157-R1170 HydrophobicContact CD1-CB 4.12Å; F1157-R1170 HydrophobicContact CD1-CG 4.26Å; F1157-R1170 HydrophobicContact CE1-CB 4.07Å; F1157-R1170 HydrophobicContact CE1-CG 3.9Å |
| 1158 | K | 90.6 | Very high | 86.1 | Confident | 94 Ų | 94 | 43.7 Ų | 43.7 | 41% | 0.409 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.7 | 176.5 | -66.6 | -172.3 | 179.6 | -177.7 | 0 | 109.7 | T31 L1156 V1168 S1169 | T31-K1158 HydrophobicContact CG2-CG 3.85Å; T31-K1158 WeakPolarHBondContact O-CA 3.29Å; L1156-K1158 VanDerWaalsContact CD2-CE 3.48Å; L1156-K1158 HydrophobicContact CD2-CG 4.3Å; L1156-K1158 HydrophobicContact CG-CG 4.32Å; K1158-V1168 WeakPolarHBondContact O-CA 3.36Å; K1158-S1169 PolarHBondContact N-O 3.09Å; K1158-S1169 PolarHBondContact O-N 2.89Å; K1158-S1169 PolarHBondContact O-OG 3.47Å |
| 1159 | T | 90.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 140 | 176.4 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | I30 T31 S36 K38 I41 T1167 V1168 | I30-T1159 HydrophobicContact CG2-CG2 4.09Å; T31-T1159 PolarHBondContact O-N 3.16Å; T31-T1159 PolarHBondContact O-OG1 2.61Å; S36-T1159 PolarHBondContact OG-OG1 3.28Å; K38-T1159 HydrophobicContact CG-CG2 4.3Å; K38-T1159 WeakPolarHBondContact CG-OG1 3.39Å; I41-T1159 HydrophobicContact CD1-CG2 3.71Å; T1159-T1167 WeakPolarHBondContact CA-O 3.33Å; T1159-V1168 HydrophobicContact CG2-CG2 4.22Å |
| 1160 | K | 89.1 | Confident | 87.1 | Confident | 131 Ų | 131 | 52 Ų | 52 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.5 | 175.2 | -67.9 | -174.6 | 179.7 | -176.8 | 0 | 110 | V1162 T1167 | K1160-V1162 HydrophobicContact CB-CG2 4.34Å; K1160-T1167 PolarHBondContact N-O 2.65Å; K1160-T1167 PolarHBondContact O-N 3.36Å; K1160-T1167 PolarHBondContact O-OG1 2.86Å |
| 1161 | F | 88.2 | Confident | 87.4 | Confident | 116 Ų | 116 | 53.3 Ų | 53.3 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 117.7 | 173.4 | -161.5 | -106 | 0 | 0 | 0 | 108.7 | G1164 | F1161-G1164 VanDerWaalsContact CZ-C 3.42Å |
| 1162 | V | 85.3 | Confident | 87.3 | Confident | 67 Ų | 67 | 52.8 Ų | 52.8 | 41% | 0.406 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.6 | -176.4 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | K1160 G1164 M1165 | K1160-V1162 HydrophobicContact CB-CG2 4.34Å; V1162-G1164 VanDerWaalsContact C-N 3.28Å; V1162-G1164 PolarHBondContact O-N 3.46Å; V1162-G1164 VanDerWaalsContact O-N 3.16Å; V1162-M1165 PolarHBondContact N-O 2.7Å; V1162-M1165 PolarHBondContact O-N 3.36Å |
| 1163 | D | 80.5 | Confident | 86.8 | Confident | 148 Ų | 148 | 55.3 Ų | 55.3 | 79% | 0.791 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 39.3 | 176.1 | -55.9 | -33.1 | 0 | 0 | 0 | 115.3 | M1165 | D1163-M1165 VanDerWaalsContact C-N 3.28Å; D1163-M1165 PolarHBondContact O-N 2.77Å |
| 1164 | G | 77.6 | Confident | 85.1 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 32% | 0.32 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 6.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1161 V1162 | F1161-G1164 VanDerWaalsContact CZ-C 3.42Å; V1162-G1164 VanDerWaalsContact C-N 3.28Å; V1162-G1164 PolarHBondContact O-N 3.46Å; V1162-G1164 VanDerWaalsContact O-N 3.16Å |
| 1165 | M | 85.3 | Confident | 83.3 | Confident | 45 Ų | 45 | 66.4 Ų | 66.4 | 22% | 0.222 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.9 | -179.6 | -63.3 | 178 | -76 | 0 | 0 | 111.6 | S13 A15 Q16 V1162 D1163 | S13-M1165 WeakPolarHBondContact O-CA 2.94Å; A15-M1165 HydrophobicContact CB-CG 3.88Å; A15-M1165 HydrophobicContact CB-SD 3.66Å; Q16-M1165 HydrophobicContact CG-SD 3.97Å; V1162-M1165 PolarHBondContact N-O 2.7Å; V1162-M1165 PolarHBondContact O-N 3.36Å; D1163-M1165 VanDerWaalsContact C-N 3.28Å; D1163-M1165 PolarHBondContact O-N 2.77Å |
| 1166 | S | 89.4 | Confident | 80.6 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.014 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 137.6 | 173.4 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | S13 Y14 S36 G37 | S13-S1166 WeakPolarHBondContact CB-OG 3.46Å; S13-S1166 PolarHBondContact O-N 2.99Å; S13-S1166 WeakPolarHBondContact OG-CB 3.34Å; S13-S1166 PolarHBondContact OG-OG 2.99Å; Y14-S1166 VanDerWaalsContact CD1-O 3.23Å; Y14-S1166 WeakPolarHBondContact CD1-O 3.18Å; Y14-S1166 VanDerWaalsContact CE1-CB 3.44Å; Y14-S1166 WeakPolarHBondContact CE1-O 3.42Å; S36-S1166 WeakPolarHBondContact O-CB 3.4Å; S36-S1166 PolarHBondContact O-OG 3.26Å; G37-S1166 WeakPolarHBondContact CA-OG 3.13Å |
| 1167 | T | 88.2 | Confident | 78 | Confident | 64 Ų | 64 | 77.8 Ų | 77.8 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 154.4 | 173.6 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | T1159 K1160 | T1159-T1167 WeakPolarHBondContact CA-O 3.33Å; K1160-T1167 PolarHBondContact N-O 2.65Å; K1160-T1167 PolarHBondContact O-N 3.36Å; K1160-T1167 PolarHBondContact O-OG1 2.86Å |
| 1168 | V | 91.6 | Very high | 75.2 | Confident | 35 Ų | 35 | 82.3 Ų | 82.3 | 21% | 0.212 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.6 | -176.9 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | Y14 T18 I20 I41 F1157 K1158 T1159 | Y14-V1168 HydrophobicContact CE1-CG2 3.99Å; T18-V1168 HydrophobicContact CG2-CG2 4.36Å; I20-V1168 HydrophobicContact CD1-CG2 4.03Å; I20-V1168 HydrophobicContact CG1-CB 4.36Å; I20-V1168 HydrophobicContact CG1-CG1 4.47Å; I20-V1168 HydrophobicContact CG1-CG2 4.19Å; I20-V1168 HydrophobicContact CG2-CG1 4.36Å; I41-V1168 HydrophobicContact CD1-CG1 4.48Å; I41-V1168 HydrophobicContact CD1-CG2 3.89Å; F1157-V1168 HydrophobicContact CB-CG1 4.06Å; F1157-V1168 HydrophobicContact CD1-CG1 4.19Å; K1158-V1168 WeakPolarHBondContact O-CA 3.36Å; T1159-V1168 HydrophobicContact CG2-CG2 4.22Å |
| 1169 | S | 89.4 | Confident | 72.6 | Confident | 54 Ų | 54 | 85.4 Ų | 85.4 | 38% | 0.378 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.3 | 169.6 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | F1157 K1158 | F1157-S1169 CarbonylContact C-O 3.56Å; F1157-S1169 WeakPolarHBondContact CA-O 2.9Å; K1158-S1169 PolarHBondContact N-O 3.09Å; K1158-S1169 PolarHBondContact O-N 2.89Å; K1158-S1169 PolarHBondContact O-OG 3.47Å |
| 1170 | R | 89.8 | Confident | 69.7 | Low | 126 Ų | 126 | 91.7 Ų | 91.7 | 48% | 0.475 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 140.6 | 179.8 | -178.4 | -177.5 | 179.6 | -88.1 | 0.3 | 110.7 | N21 G22 V1155 F1157 | N21-R1170 WeakPolarHBondContact O-CD 3.43Å; G22-R1170 PolarHBondContact O-NE 3.27Å; G22-R1170 PolarHBondContact O-NH2 2.98Å; G22-R1170 VanDerWaalsContact O-NH2 3.16Å; V1155-R1170 HydrophobicContact CG1-CG 3.9Å; F1157-R1170 HydrophobicContact CD1-CB 4.12Å; F1157-R1170 HydrophobicContact CD1-CG 4.26Å; F1157-R1170 HydrophobicContact CE1-CB 4.07Å; F1157-R1170 HydrophobicContact CE1-CG 3.9Å |
| 1171 | T | 87.4 | Confident | 67.1 | Low | 58 Ų | 58 | 91.1 Ų | 91.1 | 36% | 0.356 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 124.4 | 170.2 | -52.6 | 0 | 0 | 0 | 0 | 108.5 | L1156 | L1156-T1171 PolarHBondContact N-O 3Å; L1156-T1171 PolarHBondContact O-N 3.03Å |
| 1172 | A | 81.8 | Confident | 64.4 | Low | 49 Ų | 49 | 93.6 Ų | 93.6 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 1173 | L | 70.3 | Confident | 61.8 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 37% | 0.372 | 56% | 0.561 | S | S | . | * | trans | -95 | 102.4 | 178.2 | -69.1 | 168.1 | 0 | 0 | 0 | 107.9 | A1153 N1154 L1156 | A1153-L1173 WeakPolarHBondContact O-CD1 3.42Å; N1154-L1173 PolarHBondContact O-N 3.43Å; N1154-L1173 VanDerWaalsContact O-N 3.09Å; L1156-L1173 HydrophobicContact CB-CD1 4.2Å | ||
| 1174 | I | 51.2 | Low | 59.7 | Low | 160 Ų | 160 | 98.4 Ų | 98.4 | 82% | 0.821 | 55% | 0.553 | S | S | * | * | trans | -93.6 | 108.3 | 172.8 | -57.2 | 171.6 | 0 | 0 | 0 | 106.9 | ||||
| 1175 | Q | 48.5 | Very low | 57.5 | Low | 125 Ų | 125 | 106.2 Ų | 106.2 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | trans | -93.7 | 125.9 | 163.5 | -82.2 | -176.4 | -17.4 | 0 | 0 | 109 | D1177 | Q1175-D1177 PolarHBondContact O-N 3.12Š| ||
| 1176 | S | 35.8 | Very low | 55 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 71% | 0.713 | 61% | 0.605 | S | S | * | * | trans | -67.7 | 106.5 | 173.3 | 50.1 | 0 | 0 | 0 | 0 | 110 | S1178 | S1176-S1178 VanDerWaalsContact C-N 3.25Å; S1176-S1178 PolarHBondContact O-N 3.27Å | ||
| 1177 | D | 34.7 | Very low | 52.2 | Low | 148 Ų | 148 | 119.9 Ų | 119.9 | 79% | 0.791 | 65% | 0.646 | S | S | * | * | trans | -69.2 | 85.2 | 165.7 | -84.1 | -25.2 | 0 | 0 | 0 | 109.4 | Q1175 N1179 | Q1175-D1177 PolarHBondContact O-N 3.12Å; D1177-N1179 PolarHBondContact O-N 2.78Å | ||
| 1178 | S | 33.8 | Very low | 49.4 | Very low | 98 Ų | 98 | 121.2 Ų | 121.2 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | trans | -85.6 | 83.8 | 162 | 55.8 | 0 | 0 | 0 | 0 | 108.7 | S1176 | S1176-S1178 VanDerWaalsContact C-N 3.25Å; S1176-S1178 PolarHBondContact O-N 3.27Å | ||
| 1179 | N | 35.5 | Very low | 46.4 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | trans | 165.6 | 77.1 | 147.4 | -89.8 | -17.8 | 0 | 0 | 0 | 112.2 | D1177 | D1177-N1179 PolarHBondContact O-N 2.78Š| ||
| 1180 | V | 31.2 | Very low | 43.7 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | trans | -151.3 | 133.7 | 145.4 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1181 | P | 32.7 | Very low | 40.9 | Very low | 120 Ų | 120 | 140 Ų | 140 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | -75.4 | 138.6 | -173.5 | 1.5 | 13.5 | 0 | 0 | 0 | 112.6 | K1183 | P1181-K1183 PolarHBondContact O-N 3.33Š| ||
| 1182 | L | 32.2 | Very low | 38.2 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 88% | 0.88 | 75% | 0.753 | S | S | * | * | trans | -56.6 | 122.5 | 168 | -80.5 | 142 | 0 | 0 | 0 | 111.5 | ||||
| 1183 | K | 31.3 | Very low | 36.1 | Very low | 211 Ų | 211 | 153 Ų | 153 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | trans | -122.8 | 122.3 | 147.9 | -90.9 | -170.1 | 177.4 | 179.5 | 0 | 110.3 | P1181 | P1181-K1183 PolarHBondContact O-N 3.33Š| ||
| 1184 | V | 34.9 | Very low | 34.3 | Very low | 104 Ų | 104 | 160.6 Ų | 160.6 | 63% | 0.63 | 80% | 0.801 | S | S | * | * | trans | -69.6 | 138.5 | -176.6 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1185 | H | 31.6 | Very low | 33.4 | Very low | 195 Ų | 195 | 159.2 Ų | 159.2 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | trans | -143.2 | 100.4 | 135.9 | -107 | -48.3 | 0 | 0 | 0 | 110.9 | ||||
| 1186 | D | 33.3 | Very low | 32.7 | Very low | 135 Ų | 135 | 161.5 Ų | 161.5 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -53.9 | 141 | 158.1 | -94.1 | -44.5 | 0 | 0 | 0 | 111.9 | ||||
| 1187 | K | 30.5 | Very low | 32.8 | Very low | 199 Ų | 199 | 164.6 Ų | 164.6 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | 178 | 142.8 | 109.2 | -97.8 | 175 | -177.7 | 177.3 | 0 | 114.1 | |||||
| 1188 | A | 29.5 | Very low | 33 | Very low | 92 Ų | 92 | 164.2 Ų | 164.2 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | 80.9 | 129.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1189 | R | 29.9 | Very low | 33.3 | Very low | 242 Ų | 242 | 167.4 Ų | 167.4 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | cis | -164.6 | 136.6 | 7.7 | -121.5 | 171.4 | -179.8 | 177.5 | -0.8 | 108.2 | ||||
| 1190 | Q | 31.4 | Very low | 33.4 | Very low | 184 Ų | 184 | 166.9 Ų | 166.9 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | trans | -56.4 | 140.4 | 157 | -77.5 | 169.4 | -28.5 | 0 | 0 | 110.7 | ||||
| 1191 | K | 30.9 | Very low | 33.5 | Very low | 183 Ų | 183 | 168.4 Ų | 168.4 | 80% | 0.796 | 84% | 0.844 | S | S | * | * | 177.6 | 143.2 | 114.1 | -103.1 | -179.3 | 175.8 | -176.4 | 0 | 113.6 | |||||
| 1192 | D | 31.9 | Very low | 33.5 | Very low | 140 Ų | 140 | 170.9 Ų | 170.9 | 75% | 0.749 | 85% | 0.848 | S | S | * | * | trans | 78.1 | 87.1 | 150.6 | -59.3 | -21.2 | 0 | 0 | 0 | 120.8 | ||||
| 1193 | R | 37.6 | Very low | 33.6 | Very low | 242 Ų | 242 | 171.1 Ų | 171.1 | 91% | 0.913 | 85% | 0.846 | S | S | * | * | trans | -61 | 125.2 | 130.3 | -84.5 | 177.4 | 162.8 | 177.9 | -4.3 | 109.3 | ||||
| 1194 | R | 32.7 | Very low | 33.7 | Very low | 229 Ų | 229 | 168.8 Ų | 168.8 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | 168.5 | 145.3 | 121.1 | -98.5 | 175 | 173.1 | 173 | -1.7 | 112.7 | |||||
| 1195 | N | 31.4 | Very low | 33.7 | Very low | 131 Ų | 131 | 172.8 Ų | 172.8 | 70% | 0.701 | 86% | 0.855 | S | S | * | * | trans | 100.2 | 112.9 | 146.8 | -78.1 | -6.3 | 0 | 0 | 0 | 120.5 | ||||
| 1196 | K | 33.2 | Very low | 33.8 | Very low | 173 Ų | 173 | 171.3 Ų | 171.3 | 75% | 0.752 | 85% | 0.852 | S | S | * | * | 91.1 | 103.7 | 124.9 | -77 | -179.2 | 174.5 | -175.9 | 0 | 118.3 | |||||
| 1197 | Q | 38.7 | Very low | 33.8 | Very low | 168 Ų | 168 | 173.9 Ų | 173.9 | 79% | 0.785 | 86% | 0.861 | S | S | * | * | 23.2 | 116.2 | 106.2 | -90.4 | -176.6 | -13.8 | 0 | 0 | 116.1 | |||||
| 1198 | L | 38.3 | Very low | 34.1 | Very low | 140 Ų | 140 | 172 Ų | 172 | 73% | 0.733 | 86% | 0.861 | S | S | * | * | 153.5 | 125.7 | 112.5 | -88.7 | 142.5 | 0 | 0 | 0 | 110.7 | |||||
| 1199 | I | 41.3 | Very low | 34.5 | Very low | 165 Ų | 165 | 178.7 Ų | 178.7 | 85% | 0.846 | 87% | 0.869 | S | S | * | * | trans | 65.6 | 122.4 | 145 | -53.4 | 167 | 0 | 0 | 0 | 117.8 | ||||
| 1200 | G | 36.7 | Very low | 34.9 | Very low | 147 Ų | 147 | 172.9 Ų | 172.9 | 100% | 1.515 | 87% | 0.865 | S | S | * | * | trans | 159.9 | 0 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 1,200 of 1,200 residues in 299.8 ms
(Link to these results)