| 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 | 63.2 | Low | 88.7 | Confident | 79 Ų | 79 | 25.9 Ų | 25.9 | 39% | 0.389 | 14% | 0.14 | S | C | . | . | 0 | 131.6 | 0 | -143.6 | -136.8 | -40.1 | 0 | 0 | 108.8 | D87 N1219 L1220 | M1-D87 WeakPolarHBondContact CA-OD1 3.35Å; M1-D87 PolarHBondContact N-OD1 2.84Å; M1-N1219 WeakPolarHBondContact CB-OD1 3.31Å; M1-N1219 HydrophobicContact CE-CB 4.22Å; M1-N1219 HydrophobicContact CG-CB 4.04Å; M1-N1219 WeakPolarHBondContact CG-OD1 3.12Å; M1-N1219 HydrophobicContact SD-CB 4.23Å; M1-L1220 PolarHBondContact SD-N 3.31Å | |||
| 2 | G | 77.1 | Confident | 89 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | trans | -77.1 | 144.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y84 R85 D87 P1189 | G2-Y84 WeakPolarHBondContact CA-OH 3.46Å; G2-R85 CarbonylContact C-O 3.58Å; G2-R85 WeakPolarHBondContact CA-O 3.4Å; G2-D87 PolarHBondContact N-OD1 3.15Å; G2-P1189 WeakPolarHBondContact O-CB 3.42Å | ||
| 3 | L | 87.8 | Confident | 89.1 | Confident | 47 Ų | 47 | 24.5 Ų | 24.5 | 25% | 0.246 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147.6 | -172.5 | 55.3 | 88.9 | 0 | 0 | 0 | 112.2 | V5 Y84 R85 | L3-V5 HydrophobicContact CD1-CG2 3.73Å; L3-V5 PolarHBondContact O-N 2.78Å; L3-Y84 WeakPolarHBondContact O-CD2 3.48Å; L3-R85 HydrophobicContact CD1-CB 4.12Å; L3-R85 HydrophobicContact CG-CB 4.35Å; L3-R85 PolarHBondContact N-O 3.5Å; L3-R85 PolarHBondContact O-N 2.62Å |
| 4 | L | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 114.6 | 169.7 | 178 | 58.5 | 0 | 0 | 0 | 108.7 | F24 M82 F1190 Q1221 I1223 | L4-F24 HydrophobicContact CD2-CD2 4.14Å; L4-F24 HydrophobicContact CD2-CE2 3.95Å; L4-F24 HydrophobicContact CG-CD2 3.87Å; L4-F24 HydrophobicContact CG-CE2 4.06Å; L4-F24 WeakPolarHBondContact O-CB 3.27Å; L4-M82 HydrophobicContact CD1-CB 4.45Å; L4-M82 HydrophobicContact CD1-CG 3.23Å; L4-M82 HydrophobicContact CD1-SD 4.12Å; L4-F1190 HydrophobicContact CB-CD1 4.11Å; L4-F1190 HydrophobicContact CB-CE1 4.48Å; L4-F1190 HydrophobicContact CB-CG 4.45Å; L4-Q1221 VanDerWaalsContact CB-OE1 3.23Å; L4-Q1221 PolarHBondContact O-NE2 3.33Å; L4-Q1221 PolarHBondContact O-OE1 2.82Å; L4-I1223 HydrophobicContact CD2-CD1 3.85Å |
| 5 | V | 92 | Very high | 89.2 | Confident | 25 Ų | 25 | 22.1 Ų | 22.1 | 15% | 0.152 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -52 | -177.6 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | L3 P23 F24 T83 R85 L91 | L3-V5 HydrophobicContact CD1-CG2 3.73Å; L3-V5 PolarHBondContact O-N 2.78Å; V5-P23 CarbonylContact O-C 3.55Å; V5-P23 VanDerWaalsContact O-CA 3.29Å; V5-P23 WeakPolarHBondContact O-CA 3.47Å; V5-F24 PolarHBondContact O-N 3.01Å; V5-T83 HydrophobicContact CB-CG2 4.23Å; V5-T83 PolarHBondContact N-O 3.38Å; V5-R85 HydrophobicContact CG2-CB 3.69Å; V5-L91 HydrophobicContact CG2-CD2 4.07Å |
| 6 | A | 93.4 | Very high | 89.2 | Confident | 13 Ų | 13 | 27.9 Ų | 27.9 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 158.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T20 V21 T83 | A6-T20 HydrophobicContact CB-CG2 4.01Å; A6-V21 CarbonylContact C-O 3.58Å; A6-V21 WeakPolarHBondContact CA-O 3.28Å; A6-T83 PolarHBondContact O-N 2.98Å |
| 7 | L | 94.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 120.2 | 173.8 | -166.1 | 81.6 | 0 | 0 | 0 | 109.4 | L9 T20 V21 F24 L41 A44 I45 V48 V80 K81 M82 | L7-L9 HydrophobicContact CD2-CD1 4.45Å; L7-L9 HydrophobicContact CD2-CD2 3.85Å; L7-L9 HydrophobicContact CD2-CG 4.18Å; L7-L9 HydrophobicContact CG-CD2 4.42Å; L7-T20 CarbonylContact O-C 3.56Å; L7-T20 WeakPolarHBondContact O-CA 3.3Å; L7-V21 HydrophobicContact CB-CB 4.36Å; L7-V21 PolarHBondContact N-O 3.24Å; L7-V21 PolarHBondContact O-N 2.99Å; L7-F24 HydrophobicContact CB-CE2 4.32Å; L7-L41 HydrophobicContact CD2-CD1 3.56Å; L7-A44 HydrophobicContact CD2-CB 3.79Å; L7-I45 HydrophobicContact CD1-CG1 4.43Å; L7-I45 HydrophobicContact CD2-CG1 4.11Å; L7-V48 HydrophobicContact CD1-CG1 4.18Å; L7-V80 HydrophobicContact CD1-CG1 3.85Å; L7-V80 HydrophobicContact CD2-CG1 4.4Å; L7-V80 HydrophobicContact CG-CG1 4.11Å; L7-K81 CarbonylContact C-O 3.6Å; L7-K81 WeakPolarHBondContact CA-O 3.36Å; L7-M82 HydrophobicContact CD1-CB 4.21Å |
| 8 | T | 94.7 | Very high | 89.4 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 19% | 0.19 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 118.7 | 175.1 | -50.2 | 0 | 0 | 0 | 0 | 110 | V80 K81 | T8-V80 CarbonylContact O-C 3.49Å; T8-V80 WeakPolarHBondContact O-CA 3.2Å; T8-K81 PolarHBondContact N-O 2.96Å; T8-K81 PolarHBondContact O-N 2.84Å |
| 9 | L | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.6 | -178.2 | -60.1 | 159.3 | 0 | 0 | 0 | 108.8 | L7 F12 F15 S18 C19 V21 L41 A44 V80 | L7-L9 HydrophobicContact CD2-CD1 4.45Å; L7-L9 HydrophobicContact CD2-CD2 3.85Å; L7-L9 HydrophobicContact CD2-CG 4.18Å; L7-L9 HydrophobicContact CG-CD2 4.42Å; L9-F12 HydrophobicContact CD2-CB 4.36Å; L9-F12 HydrophobicContact CD2-CD1 4.03Å; L9-F12 HydrophobicContact CD2-CG 4.31Å; L9-F15 HydrophobicContact CB-CB 4.28Å; L9-F15 HydrophobicContact CB-CG 4.46Å; L9-F15 HydrophobicContact CD1-CD1 4.03Å; L9-F15 HydrophobicContact CD1-CD2 3.78Å; L9-F15 HydrophobicContact CD1-CE1 4.11Å; L9-F15 HydrophobicContact CD1-CE2 3.87Å; L9-F15 HydrophobicContact CD1-CG 3.86Å; L9-F15 HydrophobicContact CD1-CZ 4.03Å; L9-S18 CarbonylContact O-C 3.5Å; L9-S18 WeakPolarHBondContact O-CA 3.46Å; L9-C19 PolarHBondContact N-O 3.11Å; L9-C19 PolarHBondContact O-N 3.16Å; L9-V21 HydrophobicContact CD1-CG2 3.66Å; L9-L41 HydrophobicContact CD1-CD1 4.35Å; L9-A44 HydrophobicContact CD2-CB 3.28Å; L9-V80 HydrophobicContact CD2-CG1 4.04Å; L9-V80 HydrophobicContact CD2-CG2 4.01Å |
| 10 | E | 94.2 | Very high | 89.6 | Confident | 68 Ų | 68 | 33.3 Ų | 33.3 | 32% | 0.318 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 112.6 | 176.6 | -166.8 | -173.9 | 171 | 0 | 0 | 110.3 | F12 G17 C78 Q79 | E10-F12 PolarHBondContact O-N 3.15Å; E10-G17 VanDerWaalsContact CA-O 3.29Å; E10-G17 WeakPolarHBondContact CA-O 3.45Å; E10-C78 VanDerWaalsContact O-CA 3.28Å; E10-C78 WeakPolarHBondContact O-CA 3.47Å; E10-C78 WeakPolarHBondContact O-CB 3.29Å; E10-Q79 HydrophobicContact CB-CB 4.19Å; E10-Q79 PolarHBondContact N-O 2.96Å; E10-Q79 PolarHBondContact O-N 2.91Å |
| 11 | N | 93.3 | Very high | 89.7 | Confident | 18 Ų | 18 | 31.7 Ų | 31.7 | 10% | 0.096 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.8 | 39.5 | 179.2 | -59.7 | -49.1 | 0 | 0 | 0 | 113.6 | F15 G17 Y66 C78 | N11-F15 CarbonylContact C-O 3.57Å; N11-F15 WeakPolarHBondContact CA-O 3.46Å; N11-F15 PolarHBondContact N-O 3.42Å; N11-G17 PolarHBondContact N-O 3.11Å; N11-G17 PolarHBondContact OD1-N 3.28Å; N11-Y66 PolarHBondContact O-N 3.4Å; N11-C78 HydrophobicContact CB-CB 4.48Å; N11-C78 WeakPolarHBondContact O-CB 3.28Å |
| 12 | F | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.8 | -174.6 | -177.1 | -92.8 | 0 | 0 | 0 | 111.3 | L9 E10 S14 F15 D43 A44 F47 L64 V80 | L9-F12 HydrophobicContact CD2-CB 4.36Å; L9-F12 HydrophobicContact CD2-CD1 4.03Å; L9-F12 HydrophobicContact CD2-CG 4.31Å; E10-F12 PolarHBondContact O-N 3.15Å; F12-S14 PolarHBondContact O-N 3.11Å; F12-F15 PolarHBondContact N-O 2.98Å; F12-F15 WeakPolarHBondContact O-CB 3.33Å; F12-F15 PolarHBondContact O-N 3.2Å; F12-D43 HydrophobicContact CE1-CB 4.43Å; F12-D43 HydrophobicContact CZ-CB 4.34Å; F12-A44 HydrophobicContact CD1-CB 4.01Å; F12-A44 HydrophobicContact CE1-CB 3.54Å; F12-A44 HydrophobicContact CZ-CB 3.94Å; F12-F47 HydrophobicContact CE2-CB 4.26Å; F12-F47 AromaticContact CE2-CD1 3.94Å; F12-F47 HydrophobicContact CE2-CD1 3.94Å; F12-F47 HydrophobicContact CE2-CG 4.11Å; F12-F47 HydrophobicContact CZ-CB 4.34Å; F12-L64 CarbonylContact C-O 3.59Å; F12-L64 HydrophobicContact CD2-CB 4.4Å; F12-L64 HydrophobicContact CE2-CB 4.19Å; F12-L64 HydrophobicContact CE2-CD1 4.34Å; F12-L64 HydrophobicContact CE2-CD2 3.73Å; F12-L64 HydrophobicContact CE2-CG 4.32Å; F12-L64 HydrophobicContact CZ-CD2 3.86Å; F12-V80 HydrophobicContact CB-CG2 4.32Å; F12-V80 HydrophobicContact CD2-CG2 3.47Å; F12-V80 VanDerWaalsContact CD2-CG2 3.47Å; F12-V80 HydrophobicContact CE2-CG2 3.79Å; F12-V80 HydrophobicContact CG-CG2 3.87Å; F12-V80 HydrophobicContact CZ-CG2 4.45Å |
| 13 | K | 90.5 | Very high | 91.4 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 15% | 0.148 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | -101 | -179.9 | -68.7 | -166.2 | 174.7 | -161.2 | 0 | 113.9 | N40 D43 L64 Y66 | K13-N40 HydrophobicContact CB-CB 4.39Å; K13-N40 HydrophobicContact CD-CB 4.1Å; K13-N40 VanDerWaalsContact CD-OD1 3.31Å; K13-N40 WeakPolarHBondContact CD-OD1 3.19Å; K13-D43 HydrophobicContact CD-CB 4.43Å; K13-D43 IonicContact NZ-OD1 3.36Å; K13-D43 IonicContact NZ-OD2 3.3Å; K13-D43 PolarHBondContact NZ-OD2 2.83Å; K13-L64 HydrophobicContact CG-CD2 4.28Å; K13-L64 PolarHBondContact N-O 3.21Å; K13-Y66 WeakPolarHBondContact O-CA 3.28Å; K13-Y66 WeakPolarHBondContact O-CD2 3.4Å |
| 14 | S | 89.5 | Confident | 91.6 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -2.6 | 179.6 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | F12 N40 Y66 S1251 | F12-S14 PolarHBondContact O-N 3.11Å; S14-N40 PolarHBondContact OG-ND2 2.88Å; S14-Y66 WeakPolarHBondContact O-CE2 3.37Å; S14-S1251 VanDerWaalsContact CB-OG 3.29Å; S14-S1251 WeakPolarHBondContact CB-OG 3.39Å; S14-S1251 PolarHBondContact O-N 3.23Å; S14-S1251 PolarHBondContact OG-OG 2.97Å |
| 15 | F | 90.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 109 | 178.1 | -60.3 | -85.2 | 0 | 0 | 0 | 110.2 | L9 N11 F12 C19 N40 V1253 | L9-F15 HydrophobicContact CB-CB 4.28Å; L9-F15 HydrophobicContact CB-CG 4.46Å; L9-F15 HydrophobicContact CD1-CD1 4.03Å; L9-F15 HydrophobicContact CD1-CD2 3.78Å; L9-F15 HydrophobicContact CD1-CE1 4.11Å; L9-F15 HydrophobicContact CD1-CE2 3.87Å; L9-F15 HydrophobicContact CD1-CG 3.86Å; L9-F15 HydrophobicContact CD1-CZ 4.03Å; N11-F15 CarbonylContact C-O 3.57Å; N11-F15 WeakPolarHBondContact CA-O 3.46Å; N11-F15 PolarHBondContact N-O 3.42Å; F12-F15 PolarHBondContact N-O 2.98Å; F12-F15 WeakPolarHBondContact O-CB 3.33Å; F12-F15 PolarHBondContact O-N 3.2Å; F15-C19 HydrophobicContact CD1-CB 4.19Å; F15-N40 HydrophobicContact CE2-CB 4.07Å; F15-V1253 HydrophobicContact CE1-CG2 3.81Å |
| 16 | K | 89.7 | Confident | 91.3 | Very high | 116 Ų | 116 | 32.2 Ų | 32.2 | 50% | 0.504 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 139.8 | 175.4 | -171.4 | -174.7 | 174.7 | -174.6 | 0 | 110.3 | Y66 L1250 | K16-Y66 HydrophobicContact CB-CD1 4.21Å; K16-Y66 HydrophobicContact CB-CD2 4.04Å; K16-Y66 HydrophobicContact CB-CE1 4.05Å; K16-Y66 HydrophobicContact CB-CE2 3.88Å; K16-Y66 HydrophobicContact CB-CG 4.21Å; K16-Y66 HydrophobicContact CD-CE1 4.03Å; K16-Y66 HydrophobicContact CG-CD1 4.17Å; K16-Y66 HydrophobicContact CG-CE1 4.04Å; K16-L1250 HydrophobicContact CB-CD1 3.38Å |
| 17 | G | 90.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 31.6 Ų | 31.6 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.1 | -162.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | E10 N11 | E10-G17 VanDerWaalsContact CA-O 3.29Å; E10-G17 WeakPolarHBondContact CA-O 3.45Å; N11-G17 PolarHBondContact N-O 3.11Å; N11-G17 PolarHBondContact OD1-N 3.28Å |
| 18 | S | 90.8 | Very high | 91.1 | Very high | 91 Ų | 91 | 31.6 Ų | 31.6 | 64% | 0.636 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 117.7 | 176.7 | -172.2 | 0 | 0 | 0 | 0 | 110 | L9 | L9-S18 CarbonylContact O-C 3.5Å; L9-S18 WeakPolarHBondContact O-CA 3.46Å |
| 19 | C | 91.1 | Very high | 90.9 | Very high | 23 Ų | 23 | 30.1 Ų | 30.1 | 16% | 0.155 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.6 | 178.2 | -177 | 0 | 0 | 0 | 0 | 109.2 | L9 F15 | L9-C19 PolarHBondContact N-O 3.11Å; L9-C19 PolarHBondContact O-N 3.16Å; F15-C19 HydrophobicContact CD1-CB 4.19Å |
| 20 | T | 92.6 | Very high | 90.9 | Very high | 76 Ų | 76 | 30.1 Ų | 30.1 | 47% | 0.466 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.6 | 177.5 | -56.7 | 0 | 0 | 0 | 0 | 109.2 | A6 L7 | A6-T20 HydrophobicContact CB-CG2 4.01Å; L7-T20 CarbonylContact O-C 3.56Å; L7-T20 WeakPolarHBondContact O-CA 3.3Å |
| 21 | V | 91 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.8 | 175.9 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | A6 L7 L9 F24 L41 I1239 V1253 | A6-V21 CarbonylContact C-O 3.58Å; A6-V21 WeakPolarHBondContact CA-O 3.28Å; L7-V21 HydrophobicContact CB-CB 4.36Å; L7-V21 PolarHBondContact N-O 3.24Å; L7-V21 PolarHBondContact O-N 2.99Å; L9-V21 HydrophobicContact CD1-CG2 3.66Å; V21-F24 HydrophobicContact CB-CZ 4.47Å; V21-F24 HydrophobicContact CG1-CE1 4.35Å; V21-F24 HydrophobicContact CG1-CZ 3.91Å; V21-F24 WeakPolarHBondContact O-CE2 3.45Å; V21-L41 HydrophobicContact CB-CD1 4Å; V21-L41 HydrophobicContact CG1-CD1 3.81Å; V21-L41 HydrophobicContact CG1-CD2 4.01Å; V21-L41 HydrophobicContact CG2-CD1 3.84Å; V21-I1239 HydrophobicContact CG1-CD1 4.3Å; V21-I1239 HydrophobicContact CG1-CG2 3.76Å; V21-V1253 HydrophobicContact CG1-CG1 4.22Å; V21-V1253 HydrophobicContact CG2-CB 4.48Å; V21-V1253 HydrophobicContact CG2-CG1 4.36Å; V21-V1253 HydrophobicContact CG2-CG2 3.68Å |
| 22 | G | 85.8 | Confident | 90.6 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | trans | 121.2 | -175.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 23 | P | 90.2 | Very high | 90.4 | Very high | 67 Ų | 67 | 33 Ų | 33 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | cis | -67.5 | 141.5 | 11.5 | 23.1 | -30.1 | 0 | 0 | 0 | 113.1 | V5 R1237 | V5-P23 CarbonylContact O-C 3.55Å; V5-P23 VanDerWaalsContact O-CA 3.29Å; V5-P23 WeakPolarHBondContact O-CA 3.47Å; P23-R1237 VanDerWaalsContact C-NH1 3.29Å; P23-R1237 WeakPolarHBondContact O-CD 3.06Å; P23-R1237 PolarHBondContact O-NH1 2.86Å | ||
| 24 | F | 91.6 | Very high | 90.1 | Very high | 12 Ų | 12 | 37.2 Ų | 37.2 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | trans | -82.6 | 146.2 | 171 | -61.2 | -79.5 | 0 | 0 | 0 | 110.3 | L4 V5 L7 V21 Q1221 I1223 I1239 | L4-F24 HydrophobicContact CD2-CD2 4.14Å; L4-F24 HydrophobicContact CD2-CE2 3.95Å; L4-F24 HydrophobicContact CG-CD2 3.87Å; L4-F24 HydrophobicContact CG-CE2 4.06Å; L4-F24 WeakPolarHBondContact O-CB 3.27Å; V5-F24 PolarHBondContact O-N 3.01Å; L7-F24 HydrophobicContact CB-CE2 4.32Å; V21-F24 HydrophobicContact CB-CZ 4.47Å; V21-F24 HydrophobicContact CG1-CE1 4.35Å; V21-F24 HydrophobicContact CG1-CZ 3.91Å; V21-F24 WeakPolarHBondContact O-CE2 3.45Å; F24-Q1221 VanDerWaalsContact CB-NE2 3.34Å; F24-I1223 HydrophobicContact CD1-CD1 3.81Å; F24-I1223 HydrophobicContact CD1-CG1 4.11Å; F24-I1223 HydrophobicContact CD2-CD1 4.48Å; F24-I1223 HydrophobicContact CE1-CD1 3.91Å; F24-I1223 HydrophobicContact CE1-CG1 4.44Å; F24-I1223 HydrophobicContact CE1-CG2 4.19Å; F24-I1223 HydrophobicContact CG-CD1 4.11Å; F24-I1223 HydrophobicContact CZ-CD1 4.31Å; F24-I1239 HydrophobicContact CD1-CD1 3.34Å; F24-I1239 HydrophobicContact CE1-CD1 3.2Å; F24-I1239 HydrophobicContact CG-CD1 4.4Å; F24-I1239 HydrophobicContact CZ-CD1 4.18Å | ||
| 25 | A | 88.7 | Confident | 89.8 | Confident | 21 Ų | 21 | 40.4 Ų | 40.4 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | trans | -99.1 | -172.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S28 Q1221 D1236 R1237 | A25-S28 PolarHBondContact N-OG 3.37Å; A25-S28 PolarHBondContact O-OG 3.11Å; A25-Q1221 WeakPolarHBondContact O-CG 3.3Å; A25-Q1221 PolarHBondContact O-NE2 3.38Å; A25-D1236 HydrophobicContact CB-CB 3.71Å; A25-R1237 HydrophobicContact CB-CB 3.92Å | ||
| 26 | S | 88 | Confident | 89.6 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 37% | 0.371 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -63.1 | -47.1 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 111 | Q1221 I1222 | S26-Q1221 CarbonylContact O-C 3.55Å; S26-Q1221 VanDerWaalsContact O-CA 3.28Å; S26-Q1221 WeakPolarHBondContact O-CA 3.26Å; S26-I1222 PolarHBondContact O-N 3.4Å |
| 27 | F | 90.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 111.7 | 168.4 | -178.7 | -159.2 | 0 | 0 | 0 | 110.1 | I1212 R1213 A1216 I1222 V1224 F1231 K1234 A1235 D1236 R1237 | F27-I1212 HydrophobicContact CD1-CG2 4.16Å; F27-I1212 HydrophobicContact CD2-CG2 3.85Å; F27-I1212 HydrophobicContact CE1-CG2 3.99Å; F27-I1212 HydrophobicContact CE2-CG2 3.68Å; F27-I1212 HydrophobicContact CG-CG2 4.14Å; F27-I1212 HydrophobicContact CZ-CG2 3.76Å; F27-R1213 HydrophobicContact CD1-CB 4.32Å; F27-A1216 HydrophobicContact CB-CB 3.87Å; F27-I1222 WeakPolarHBondContact CA-O 3.36Å; F27-I1222 HydrophobicContact CD2-CB 4.39Å; F27-V1224 HydrophobicContact CE2-CB 4.33Å; F27-V1224 HydrophobicContact CE2-CG2 3.89Å; F27-F1231 HydrophobicContact CE2-CE1 4.14Å; F27-F1231 HydrophobicContact CZ-CD1 4.15Å; F27-F1231 AromaticContact CZ-CE1 3.86Å; F27-F1231 HydrophobicContact CZ-CE1 3.86Å; F27-K1234 WeakPolarHBondContact CD1-O 3.48Å; F27-K1234 VanDerWaalsContact CE1-C 3.43Å; F27-K1234 HydrophobicContact CE1-CB 4.14Å; F27-K1234 VanDerWaalsContact CE1-O 3.3Å; F27-K1234 WeakPolarHBondContact CE1-O 3.43Å; F27-A1235 VanDerWaalsContact CD1-CA 3.42Å; F27-A1235 HydrophobicContact CD1-CB 4.1Å; F27-A1235 HydrophobicContact CD2-CB 4.34Å; F27-A1235 HydrophobicContact CE1-CB 3.98Å; F27-A1235 HydrophobicContact CE2-CB 4.21Å; F27-A1235 HydrophobicContact CG-CB 4.25Å; F27-A1235 HydrophobicContact CZ-CB 4.02Å; F27-D1236 PolarHBondContact N-OD2 3.28Å; F27-D1236 WeakPolarHBondContact O-CB 3.29Å; F27-D1236 PolarHBondContact O-N 3.18Å; F27-R1237 PolarHBondContact O-N 3.03Å |
| 28 | S | 92.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134.4 | 177.6 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | A25 I1222 I1223 V1224 R1237 | A25-S28 PolarHBondContact N-OG 3.37Å; A25-S28 PolarHBondContact O-OG 3.11Å; S28-I1222 PolarHBondContact N-O 2.84Å; S28-I1223 CarbonylContact O-C 3.45Å; S28-I1223 VanDerWaalsContact O-CA 3.31Å; S28-I1223 WeakPolarHBondContact O-CA 3.41Å; S28-V1224 PolarHBondContact O-N 3.06Å; S28-R1237 CarbonylContact C-O 3.5Å; S28-R1237 VanDerWaalsContact CA-O 3.31Å; S28-R1237 WeakPolarHBondContact CA-O 3.5Å |
| 29 | A | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1224 Y1232 A1235 R1237 L1238 I1239 | A29-V1224 CarbonylContact C-O 3.59Å; A29-V1224 VanDerWaalsContact CA-O 3.26Å; A29-V1224 WeakPolarHBondContact CA-O 3.26Å; A29-Y1232 VanDerWaalsContact CB-CB 3.47Å; A29-A1235 HydrophobicContact CB-CB 3.7Å; A29-R1237 PolarHBondContact N-O 3.43Å; A29-L1238 HydrophobicContact CB-CD2 3.85Å; A29-L1238 CarbonylContact O-C 3.55Å; A29-L1238 WeakPolarHBondContact O-CA 3.33Å; A29-I1239 PolarHBondContact O-N 2.75Å |
| 30 | V | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 113.2 | 179.6 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | L41 I1223 V1224 I1225 S1226 I1239 I1241 | V30-L41 HydrophobicContact CG1-CD2 4Å; V30-L41 HydrophobicContact CG2-CD2 3.77Å; V30-I1223 HydrophobicContact CG2-CG2 3.91Å; V30-V1224 PolarHBondContact N-O 2.79Å; V30-I1225 HydrophobicContact CB-CB 4.47Å; V30-I1225 HydrophobicContact CB-CG1 3.9Å; V30-I1225 HydrophobicContact CG1-CG1 4.27Å; V30-I1225 HydrophobicContact CG2-CG1 4.38Å; V30-I1225 WeakPolarHBondContact O-CA 3.37Å; V30-S1226 PolarHBondContact O-N 3.16Å; V30-I1239 CarbonylContact C-O 3.55Å; V30-I1239 WeakPolarHBondContact CA-O 3.44Å; V30-I1239 HydrophobicContact CG2-CB 4.18Å; V30-I1239 HydrophobicContact CG2-CD1 4.44Å; V30-I1241 HydrophobicContact CG1-CD1 3.52Å; V30-I1241 HydrophobicContact CG1-CG1 4.27Å |
| 31 | I | 92.9 | Very high | 88.8 | Confident | 37 Ų | 37 | 28.1 Ų | 28.1 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 165.6 | -171.6 | 63.9 | 167.6 | 0 | 0 | 0 | 111.7 | Y1232 L1238 I1239 G1240 I1241 | I31-Y1232 HydrophobicContact CG2-CD1 3.67Å; I31-Y1232 HydrophobicContact CG2-CD2 4.39Å; I31-Y1232 HydrophobicContact CG2-CE1 4.22Å; I31-Y1232 HydrophobicContact CG2-CG 3.78Å; I31-L1238 HydrophobicContact CD1-CB 4.27Å; I31-L1238 HydrophobicContact CD1-CD1 4.03Å; I31-L1238 HydrophobicContact CD1-CD2 4.44Å; I31-L1238 HydrophobicContact CD1-CG 4.48Å; I31-L1238 HydrophobicContact CG2-CD2 4.34Å; I31-I1239 PolarHBondContact N-O 2.88Å; I31-G1240 CarbonylContact O-C 3.51Å; I31-G1240 WeakPolarHBondContact O-CA 3.26Å; I31-I1241 PolarHBondContact O-N 3.24Å |
| 32 | G | 88.8 | Confident | 88.6 | Confident | 24 Ų | 24 | 28.1 Ų | 28.1 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | trans | 147.9 | 171.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K38 L1227 | G32-K38 WeakPolarHBondContact O-CE 3.31Å; G32-K38 PolarHBondContact O-NZ 3.16Å; G32-L1227 WeakPolarHBondContact O-CD2 3.42Å | ||
| 33 | P | 87.4 | Confident | 88.8 | Confident | 86 Ų | 86 | 27.7 Ų | 27.7 | 56% | 0.558 | 19% | 0.19 | S | C | * | . | trans | -69.1 | 159.3 | -178.1 | 23.9 | -28.7 | 0 | 0 | 0 | 112.5 | G35 S36 K38 | P33-G35 PolarHBondContact O-N 3.22Å; P33-S36 VanDerWaalsContact O-CB 3.26Å; P33-S36 WeakPolarHBondContact O-CB 3.45Å; P33-S36 PolarHBondContact O-N 3.49Å; P33-S36 VanDerWaalsContact O-N 3.16Å; P33-S36 PolarHBondContact O-OG 3.26Å; P33-S36 VanDerWaalsContact O-OG 3.07Å; P33-K38 VanDerWaalsContact C-NZ 3.27Å; P33-K38 PolarHBondContact O-NZ 3.39Å | ||
| 34 | N | 85.7 | Confident | 88.8 | Confident | 123 Ų | 123 | 24.5 Ų | 24.5 | 66% | 0.658 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 135.5 | 176.3 | -71.1 | -15 | 0 | 0 | 0 | 110.7 | S36 L1227 | N34-S36 VanDerWaalsContact C-N 3.31Å; N34-S36 PolarHBondContact O-N 3.02Å; N34-L1227 VanDerWaalsContact OD1-CD1 3.28Å; N34-L1227 WeakPolarHBondContact OD1-CD1 3.35Å |
| 35 | G | 82.2 | Confident | 88.8 | Confident | 78 Ų | 78 | 24 Ų | 24 | 80% | 0.804 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 5.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P33 G37 | P33-G35 PolarHBondContact O-N 3.22Å; G35-G37 PolarHBondContact O-N 3.09Å |
| 36 | S | 85.6 | Confident | 88.8 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -71.8 | -14.2 | -179.6 | 72.5 | 0 | 0 | 0 | 0 | 115.1 | P33 N34 K38 I1241 S1251 | P33-S36 VanDerWaalsContact O-CB 3.26Å; P33-S36 WeakPolarHBondContact O-CB 3.45Å; P33-S36 PolarHBondContact O-N 3.49Å; P33-S36 VanDerWaalsContact O-N 3.16Å; P33-S36 PolarHBondContact O-OG 3.26Å; P33-S36 VanDerWaalsContact O-OG 3.07Å; N34-S36 VanDerWaalsContact C-N 3.31Å; N34-S36 PolarHBondContact O-N 3.02Å; S36-K38 WeakPolarHBondContact OG-CG 3.45Å; S36-I1241 WeakPolarHBondContact CB-O 3.19Å; S36-I1241 WeakPolarHBondContact O-CG2 3.19Å; S36-I1241 PolarHBondContact OG-O 2.85Å; S36-S1251 PolarHBondContact O-OG 3.25Å |
| 37 | G | 85.2 | Confident | 89 | Confident | 10 Ų | 10 | 20.4 Ų | 20.4 | 10% | 0.103 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 105.7 | 9.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G35 S39 N40 | G35-G37 PolarHBondContact O-N 3.09Å; G37-S39 PolarHBondContact O-N 2.88Å; G37-N40 VanDerWaalsContact O-CB 3.31Å; G37-N40 WeakPolarHBondContact O-CB 3.44Å; G37-N40 PolarHBondContact O-N 3.02Å |
| 38 | K | 88 | Confident | 89 | Confident | 7 Ų | 7 | 20.4 Ų | 20.4 | 3% | 0.03 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -49 | -54.4 | 177.2 | -55.8 | -172.9 | -64.9 | -85.6 | 0 | 112.8 | G32 P33 S36 N40 L41 I1225 I1241 | G32-K38 WeakPolarHBondContact O-CE 3.31Å; G32-K38 PolarHBondContact O-NZ 3.16Å; P33-K38 VanDerWaalsContact C-NZ 3.27Å; P33-K38 PolarHBondContact O-NZ 3.39Å; S36-K38 WeakPolarHBondContact OG-CG 3.45Å; K38-N40 PolarHBondContact O-N 3.23Å; K38-L41 WeakPolarHBondContact O-CB 3.39Å; K38-L41 PolarHBondContact O-N 3.48Å; K38-I1225 HydrophobicContact CB-CG2 3.99Å; K38-I1225 HydrophobicContact CD-CG2 4.28Å; K38-I1241 HydrophobicContact CB-CD1 4.45Å; K38-I1241 HydrophobicContact CG-CB 4.23Å; K38-I1241 HydrophobicContact CG-CD1 4.48Å |
| 39 | S | 85.8 | Confident | 88.8 | Confident | 20 Ų | 20 | 20.4 Ų | 20.4 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.8 | -21.1 | -177 | -37.3 | 0 | 0 | 0 | 0 | 112.5 | G37 L41 M42 D43 R57 | G37-S39 PolarHBondContact O-N 2.88Å; S39-L41 PolarHBondContact O-N 3.22Å; S39-M42 VanDerWaalsContact O-CB 3.3Å; S39-M42 WeakPolarHBondContact O-CB 3.44Å; S39-M42 PolarHBondContact O-N 3.27Å; S39-D43 PolarHBondContact O-N 3.42Å; S39-D43 VanDerWaalsContact O-N 3.16Å; S39-R57 VanDerWaalsContact CB-CZ 3.46Å; S39-R57 PolarHBondContact O-NH2 2.84Å |
| 40 | N | 89.5 | Confident | 88.5 | Confident | 36 Ų | 36 | 20.9 Ų | 20.9 | 19% | 0.193 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -23.6 | 172.9 | -69.2 | -23.4 | 0 | 0 | 0 | 111.6 | K13 S14 F15 G37 K38 M42 D43 A44 | K13-N40 HydrophobicContact CB-CB 4.39Å; K13-N40 HydrophobicContact CD-CB 4.1Å; K13-N40 VanDerWaalsContact CD-OD1 3.31Å; K13-N40 WeakPolarHBondContact CD-OD1 3.19Å; S14-N40 PolarHBondContact OG-ND2 2.88Å; F15-N40 HydrophobicContact CE2-CB 4.07Å; G37-N40 VanDerWaalsContact O-CB 3.31Å; G37-N40 WeakPolarHBondContact O-CB 3.44Å; G37-N40 PolarHBondContact O-N 3.02Å; K38-N40 PolarHBondContact O-N 3.23Å; N40-M42 VanDerWaalsContact C-N 3.35Å; N40-D43 PolarHBondContact O-N 3.4Å; N40-A44 PolarHBondContact O-N 3.07Å |
| 41 | L | 89.3 | Confident | 88 | Confident | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 170.5 | -172.2 | 65.6 | 0 | 0 | 0 | 111 | L7 L9 V21 V30 K38 S39 D43 A44 I45 I1241 | L7-L41 HydrophobicContact CD2-CD1 3.56Å; L9-L41 HydrophobicContact CD1-CD1 4.35Å; V21-L41 HydrophobicContact CB-CD1 4Å; V21-L41 HydrophobicContact CG1-CD1 3.81Å; V21-L41 HydrophobicContact CG1-CD2 4.01Å; V21-L41 HydrophobicContact CG2-CD1 3.84Å; V30-L41 HydrophobicContact CG1-CD2 4Å; V30-L41 HydrophobicContact CG2-CD2 3.77Å; K38-L41 WeakPolarHBondContact O-CB 3.39Å; K38-L41 PolarHBondContact O-N 3.48Å; S39-L41 PolarHBondContact O-N 3.22Å; L41-D43 VanDerWaalsContact C-N 3.35Å; L41-D43 PolarHBondContact O-N 3.16Å; L41-A44 WeakPolarHBondContact O-CB 3.45Å; L41-A44 PolarHBondContact O-N 3.13Å; L41-A44 VanDerWaalsContact O-N 3.07Å; L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 3.36Å; L41-I1241 HydrophobicContact CB-CD1 4.42Å; L41-I1241 HydrophobicContact CD2-CD1 4.32Å |
| 42 | M | 87.6 | Confident | 87.5 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.3 | -162 | -166.1 | -167.8 | 0 | 0 | 111.9 | S39 N40 A44 I45 S46 L134 V135 F136 D1194 I1225 | S39-M42 VanDerWaalsContact O-CB 3.3Å; S39-M42 WeakPolarHBondContact O-CB 3.44Å; S39-M42 PolarHBondContact O-N 3.27Å; N40-M42 VanDerWaalsContact C-N 3.35Å; M42-A44 PolarHBondContact O-N 2.7Å; M42-I45 PolarHBondContact O-N 3.44Å; M42-S46 WeakPolarHBondContact O-CB 3.19Å; M42-S46 PolarHBondContact O-N 2.96Å; M42-S46 PolarHBondContact O-OG 2.89Å; M42-L134 HydrophobicContact CE-CB 4.42Å; M42-L134 HydrophobicContact CE-CD2 4.45Å; M42-V135 WeakPolarHBondContact CE-O 3.47Å; M42-F136 HydrophobicContact CE-CB 4.33Å; M42-F136 HydrophobicContact CE-CD1 3.72Å; M42-F136 HydrophobicContact CE-CD2 4.46Å; M42-F136 HydrophobicContact CE-CE1 4.09Å; M42-F136 HydrophobicContact CE-CG 3.93Å; M42-F136 HydrophobicContact CG-CE1 4.49Å; M42-F136 HydrophobicContact SD-CB 4.37Å; M42-F136 HydrophobicContact SD-CD1 3.4Å; M42-F136 WeakPolarHBondContact SD-CD1 3.33Å; M42-F136 HydrophobicContact SD-CE1 3.9Å; M42-F136 HydrophobicContact SD-CG 4.08Å; M42-D1194 HydrophobicContact CE-CB 4.04Å; M42-D1194 HydrophobicContact SD-CB 3.54Å; M42-D1194 VanDerWaalsContact SD-CB 3.54Å; M42-I1225 HydrophobicContact CB-CD1 4.08Å |
| 43 | D | 89.2 | Confident | 87.2 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62 | -33.8 | 173.3 | -72.3 | -64.8 | 0 | 0 | 0 | 111.8 | F12 K13 S39 N40 L41 F47 L56 R57 | F12-D43 HydrophobicContact CE1-CB 4.43Å; F12-D43 HydrophobicContact CZ-CB 4.34Å; K13-D43 HydrophobicContact CD-CB 4.43Å; K13-D43 IonicContact NZ-OD1 3.36Å; K13-D43 IonicContact NZ-OD2 3.3Å; K13-D43 PolarHBondContact NZ-OD2 2.83Å; S39-D43 PolarHBondContact O-N 3.42Å; S39-D43 VanDerWaalsContact O-N 3.16Å; N40-D43 PolarHBondContact O-N 3.4Å; L41-D43 VanDerWaalsContact C-N 3.35Å; L41-D43 PolarHBondContact O-N 3.16Å; D43-F47 WeakPolarHBondContact O-CB 3.38Å; D43-F47 PolarHBondContact O-N 2.93Å; D43-L56 HydrophobicContact CB-CD2 4.35Å; D43-L56 WeakPolarHBondContact O-CD2 3.49Å; D43-R57 PolarHBondContact OD1-N 2.74Å; D43-R57 IonicContact OD1-NE 2.75Å; D43-R57 IonicContact OD2-CZ 3.79Å; D43-R57 IonicContact OD2-NE 3.62Å; D43-R57 PolarHBondContact OD2-NE 3.42Å; D43-R57 VanDerWaalsContact OD2-NE 3.12Å; D43-R57 IonicContact OD2-NH2 2.79Å; D43-R57 PolarHBondContact OD2-NH2 3.46Å |
| 44 | A | 91.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.1 | -42.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 L9 F12 N40 L41 M42 F47 V48 V80 | L7-A44 HydrophobicContact CD2-CB 3.79Å; L9-A44 HydrophobicContact CD2-CB 3.28Å; F12-A44 HydrophobicContact CD1-CB 4.01Å; F12-A44 HydrophobicContact CE1-CB 3.54Å; F12-A44 HydrophobicContact CZ-CB 3.94Å; N40-A44 PolarHBondContact O-N 3.07Å; L41-A44 WeakPolarHBondContact O-CB 3.45Å; L41-A44 PolarHBondContact O-N 3.13Å; L41-A44 VanDerWaalsContact O-N 3.07Å; M42-A44 PolarHBondContact O-N 2.7Å; A44-F47 PolarHBondContact O-N 3.17Å; A44-V48 WeakPolarHBondContact O-CG1 3.44Å; A44-V48 PolarHBondContact O-N 3.13Å; A44-V80 HydrophobicContact CB-CG1 4.18Å; A44-V80 HydrophobicContact CB-CG2 4.35Å |
| 45 | I | 90.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 173.1 | -63.4 | 171.5 | 0 | 0 | 0 | 109.5 | L7 L41 M42 F47 V48 L49 L134 F1190 V1192 | L7-I45 HydrophobicContact CD1-CG1 4.43Å; L7-I45 HydrophobicContact CD2-CG1 4.11Å; L41-I45 WeakPolarHBondContact O-CG1 3.44Å; L41-I45 PolarHBondContact O-N 3.36Å; M42-I45 PolarHBondContact O-N 3.44Å; I45-F47 VanDerWaalsContact C-N 3.3Å; I45-F47 PolarHBondContact O-N 3.34Å; I45-V48 VanDerWaalsContact O-CG1 3.3Å; I45-V48 WeakPolarHBondContact O-CG1 3.31Å; I45-V48 PolarHBondContact O-N 2.61Å; I45-L49 HydrophobicContact CG2-CD1 3.7Å; I45-L49 HydrophobicContact CG2-CG 4.35Å; I45-L49 WeakPolarHBondContact O-CB 3.32Å; I45-L49 WeakPolarHBondContact O-CG 3.21Å; I45-L49 PolarHBondContact O-N 3.31Å; I45-L134 HydrophobicContact CG2-CD2 4.04Å; I45-F1190 HydrophobicContact CG2-CE2 4.33Å; I45-V1192 HydrophobicContact CD1-CG1 4.33Å; I45-V1192 HydrophobicContact CD1-CG2 4.11Å; I45-V1192 HydrophobicContact CG2-CG2 4.36Å |
| 46 | S | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.9 | -44.2 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | M42 L49 G50 E51 | M42-S46 WeakPolarHBondContact O-CB 3.19Å; M42-S46 PolarHBondContact O-N 2.96Å; M42-S46 PolarHBondContact O-OG 2.89Å; S46-L49 PolarHBondContact O-N 3.34Å; S46-G50 PolarHBondContact O-N 2.97Å; S46-E51 VanDerWaalsContact O-CB 3.26Å; S46-E51 WeakPolarHBondContact O-CB 3.39Å; S46-E51 PolarHBondContact O-N 2.86Å |
| 47 | F | 91.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62 | -49.2 | 179.5 | 176 | -107.7 | 0 | 0 | 0 | 111.9 | F12 D43 A44 I45 L49 G50 L56 I61 L64 V80 R96 V98 | F12-F47 HydrophobicContact CE2-CB 4.26Å; F12-F47 AromaticContact CE2-CD1 3.94Å; F12-F47 HydrophobicContact CE2-CD1 3.94Å; F12-F47 HydrophobicContact CE2-CG 4.11Å; F12-F47 HydrophobicContact CZ-CB 4.34Å; D43-F47 WeakPolarHBondContact O-CB 3.38Å; D43-F47 PolarHBondContact O-N 2.93Å; A44-F47 PolarHBondContact O-N 3.17Å; I45-F47 VanDerWaalsContact C-N 3.3Å; I45-F47 PolarHBondContact O-N 3.34Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 3.37Å; F47-G50 PolarHBondContact O-N 3.39Å; F47-G50 VanDerWaalsContact O-N 3.14Å; F47-L56 HydrophobicContact CB-CD1 4.15Å; F47-L56 HydrophobicContact CB-CD2 4.39Å; F47-L56 HydrophobicContact CD2-CD1 3.86Å; F47-L56 HydrophobicContact CG-CD1 4.47Å; F47-I61 HydrophobicContact CE2-CD1 4.28Å; F47-I61 HydrophobicContact CE2-CG1 4.36Å; F47-L64 HydrophobicContact CD2-CD1 3.62Å; F47-L64 HydrophobicContact CE2-CD1 3.57Å; F47-L64 HydrophobicContact CG-CD1 4.33Å; F47-L64 HydrophobicContact CZ-CD1 4.25Å; F47-V80 HydrophobicContact CD1-CB 3.98Å; F47-V80 HydrophobicContact CD1-CG2 3.66Å; F47-V80 HydrophobicContact CE1-CB 4.37Å; F47-V80 HydrophobicContact CE1-CG2 4.09Å; F47-R96 HydrophobicContact CD1-CB 4.21Å; F47-R96 HydrophobicContact CD1-CG 4.46Å; F47-R96 HydrophobicContact CE1-CB 3.69Å; F47-R96 HydrophobicContact CE1-CG 3.77Å; F47-R96 WeakPolarHBondContact CE1-O 3.49Å; F47-R96 HydrophobicContact CE2-CG 4.07Å; F47-R96 HydrophobicContact CZ-CB 4.01Å; F47-R96 HydrophobicContact CZ-CG 3.53Å; F47-R96 WeakPolarHBondContact O-CD 3.26Å; F47-R96 PolarHBondContact O-NH1 3.32Å; F47-V98 HydrophobicContact CE1-CG2 4.35Å; F47-V98 HydrophobicContact CE2-CG2 3.87Å; F47-V98 HydrophobicContact CZ-CG2 3.4Å; F47-V98 VanDerWaalsContact CZ-CG2 3.4Å |
| 48 | V | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.1 | -33.3 | -179.6 | 71.6 | 0 | 0 | 0 | 0 | 112 | L7 A44 I45 G50 V80 M82 F94 Y117 | L7-V48 HydrophobicContact CD1-CG1 4.18Å; A44-V48 WeakPolarHBondContact O-CG1 3.44Å; A44-V48 PolarHBondContact O-N 3.13Å; I45-V48 VanDerWaalsContact O-CG1 3.3Å; I45-V48 WeakPolarHBondContact O-CG1 3.31Å; I45-V48 PolarHBondContact O-N 2.61Å; V48-G50 PolarHBondContact O-N 2.96Å; V48-G50 VanDerWaalsContact O-N 3.12Å; V48-V80 HydrophobicContact CB-CB 4.33Å; V48-V80 HydrophobicContact CB-CG1 3.89Å; V48-V80 HydrophobicContact CG1-CG1 4.34Å; V48-V80 HydrophobicContact CG2-CG1 4.43Å; V48-M82 HydrophobicContact CB-CB 4.46Å; V48-M82 HydrophobicContact CG1-CB 3.84Å; V48-M82 HydrophobicContact CG1-CG 4.39Å; V48-M82 HydrophobicContact CG1-SD 4.16Å; V48-M82 HydrophobicContact CG2-CB 3.81Å; V48-F94 HydrophobicContact CG2-CB 4.5Å; V48-F94 WeakPolarHBondContact CG2-O 3.48Å; V48-Y117 WeakPolarHBondContact O-CE1 3.48Å; V48-Y117 PolarHBondContact O-OH 3.03Å |
| 49 | L | 88.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 1.3 | 175.4 | -64.4 | 177.9 | 0 | 0 | 0 | 114.1 | I45 S46 F47 M82 L121 I126 I128 F133 L134 F1190 | I45-L49 HydrophobicContact CG2-CD1 3.7Å; I45-L49 HydrophobicContact CG2-CG 4.35Å; I45-L49 WeakPolarHBondContact O-CB 3.32Å; I45-L49 WeakPolarHBondContact O-CG 3.21Å; I45-L49 PolarHBondContact O-N 3.31Å; S46-L49 PolarHBondContact O-N 3.34Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 3.37Å; L49-M82 HydrophobicContact CD2-CE 3.8Å; L49-M82 HydrophobicContact CD2-SD 3.64Å; L49-M82 HydrophobicContact CG-SD 4.41Å; L49-L121 HydrophobicContact CD2-CD2 4.02Å; L49-I126 HydrophobicContact CD2-CD1 4.1Å; L49-I126 HydrophobicContact CD2-CG2 4.22Å; L49-I128 WeakPolarHBondContact O-CD1 3.23Å; L49-I128 WeakPolarHBondContact O-CG1 3.32Å; L49-F133 HydrophobicContact CD1-CD2 4.38Å; L49-F133 HydrophobicContact CD1-CE2 3.45Å; L49-F133 VanDerWaalsContact CD1-CE2 3.45Å; L49-F133 HydrophobicContact CD1-CZ 4.13Å; L49-L134 HydrophobicContact CD1-CD1 4.34Å; L49-F1190 HydrophobicContact CD1-CE2 4.05Å; L49-F1190 HydrophobicContact CD1-CZ 3.9Å; L49-F1190 HydrophobicContact CD2-CZ 4.22Å |
| 50 | G | 85.2 | Confident | 86.5 | Confident | 9 Ų | 9 | 43.4 Ų | 43.4 | 9% | 0.093 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 16.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S46 F47 V48 | S46-G50 PolarHBondContact O-N 2.97Å; F47-G50 PolarHBondContact O-N 3.39Å; F47-G50 VanDerWaalsContact O-N 3.14Å; V48-G50 PolarHBondContact O-N 2.96Å; V48-G50 VanDerWaalsContact O-N 3.12Å |
| 51 | E | 82.9 | Confident | 86.4 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | trans | -59.4 | 152.2 | 175.6 | -85.6 | -67.2 | 170.5 | 0 | 0 | 112.7 | S46 N55 R96 R131 | S46-E51 VanDerWaalsContact O-CB 3.26Å; S46-E51 WeakPolarHBondContact O-CB 3.39Å; S46-E51 PolarHBondContact O-N 2.86Å; E51-N55 PolarHBondContact OE2-ND2 2.96Å; E51-R96 PolarHBondContact O-NH1 3.46Å; E51-R131 WeakPolarHBondContact OE1-CG 3.25Å; E51-R131 IonicContact OE1-NE 2.68Å; E51-R131 PolarHBondContact OE1-NE 3.35Å; E51-R131 IonicContact OE2-NE 2.66Å | ||
| 52 | K | 81.8 | Confident | 86.3 | Confident | 151 Ų | 151 | 43.6 Ų | 43.6 | 66% | 0.657 | 22% | 0.215 | S | C | * | . | trans | -70.9 | 144.6 | 177.5 | -67.2 | -176.5 | -177.8 | 177.4 | 0 | 109.8 | A54 N55 L56 | K52-A54 PolarHBondContact O-N 3.17Å; K52-A54 VanDerWaalsContact O-N 3.08Å; K52-N55 PolarHBondContact O-N 2.95Å; K52-L56 PolarHBondContact O-N 3.28Å | ||
| 53 | T | 82.3 | Confident | 86.3 | Confident | 39 Ų | 39 | 45.1 Ų | 45.1 | 24% | 0.239 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -55.6 | -31.3 | 179.1 | -41.3 | 0 | 0 | 0 | 0 | 113 | N55 L56 I61 | T53-N55 PolarHBondContact O-N 2.96Å; T53-L56 WeakPolarHBondContact O-CB 3.46Å; T53-L56 PolarHBondContact O-N 3.38Å; T53-L56 VanDerWaalsContact O-N 3.16Å; T53-L56 VanDerWaalsContact O-O 3.13Å; T53-I61 HydrophobicContact CG2-CB 4.23Å |
| 54 | A | 80.7 | Confident | 86.4 | Confident | 92 Ų | 92 | 45 Ų | 45 | 76% | 0.76 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -65.1 | -24.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | K52 | K52-A54 PolarHBondContact O-N 3.17Å; K52-A54 VanDerWaalsContact O-N 3.08Å |
| 55 | N | 78.9 | Confident | 86.3 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 25% | 0.251 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -89.8 | -18.5 | 177.2 | -59.5 | -29.8 | 0 | 0 | 0 | 111.9 | E51 K52 T53 R131 | E51-N55 PolarHBondContact OE2-ND2 2.96Å; K52-N55 PolarHBondContact O-N 2.95Å; T53-N55 PolarHBondContact O-N 2.96Å; N55-R131 PolarHBondContact ND2-NH1 2.91Å; N55-R131 PolarHBondContact ND2-NH2 3.42Å; N55-R131 PolarHBondContact OD1-NH1 2.78Å |
| 56 | L | 82.3 | Confident | 86.3 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 148.2 | 168.9 | -56.9 | 176.1 | 0 | 0 | 0 | 107.9 | D43 F47 K52 T53 V58 L64 | D43-L56 HydrophobicContact CB-CD2 4.35Å; D43-L56 WeakPolarHBondContact O-CD2 3.49Å; F47-L56 HydrophobicContact CB-CD1 4.15Å; F47-L56 HydrophobicContact CB-CD2 4.39Å; F47-L56 HydrophobicContact CD2-CD1 3.86Å; F47-L56 HydrophobicContact CG-CD1 4.47Å; K52-L56 PolarHBondContact O-N 3.28Å; T53-L56 WeakPolarHBondContact O-CB 3.46Å; T53-L56 PolarHBondContact O-N 3.38Å; T53-L56 VanDerWaalsContact O-N 3.16Å; T53-L56 VanDerWaalsContact O-O 3.13Å; L56-V58 HydrophobicContact CB-CG2 4.13Å; L56-V58 PolarHBondContact O-N 3.11Å; L56-L64 HydrophobicContact CD1-CD1 4.13Å; L56-L64 HydrophobicContact CD1-CD2 4.36Å |
| 57 | R | 85.6 | Confident | 86.2 | Confident | 119 Ų | 119 | 46.3 Ų | 46.3 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 50 | 178.3 | -65.8 | 174.6 | -65.8 | -166 | -8 | 112.9 | S39 D43 | S39-R57 VanDerWaalsContact CB-CZ 3.46Å; S39-R57 PolarHBondContact O-NH2 2.84Å; D43-R57 PolarHBondContact OD1-N 2.74Å; D43-R57 IonicContact OD1-NE 2.75Å; D43-R57 IonicContact OD2-CZ 3.79Å; D43-R57 IonicContact OD2-NE 3.62Å; D43-R57 PolarHBondContact OD2-NE 3.42Å; D43-R57 VanDerWaalsContact OD2-NE 3.12Å; D43-R57 IonicContact OD2-NH2 2.79Å; D43-R57 PolarHBondContact OD2-NH2 3.46Å |
| 58 | V | 86.2 | Confident | 86 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | trans | -152.3 | 142.7 | -175 | -135.7 | 0 | 0 | 0 | 0 | 111.1 | L56 D63 L64 | L56-V58 HydrophobicContact CB-CG2 4.13Å; L56-V58 PolarHBondContact O-N 3.11Å; V58-D63 HydrophobicContact CG1-CB 3.28Å; V58-L64 HydrophobicContact CG2-CD2 3.61Å; V58-L64 HydrophobicContact CG2-CG 4.34Å | ||
| 59 | K | 84.7 | Confident | 85.6 | Confident | 198 Ų | 198 | 51.9 Ų | 51.9 | 86% | 0.861 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -79.9 | -42.5 | -177.9 | -69.2 | -175.1 | 178.9 | -179 | 0 | 113 | ||
| 60 | R | 86.4 | Confident | 85.4 | Confident | 175 Ų | 175 | 56.5 Ų | 56.5 | 66% | 0.66 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -120.2 | 147.8 | -179.1 | -64.8 | 179.1 | -76.2 | -167.4 | -5.8 | 109.9 | G62 D63 | R60-G62 VanDerWaalsContact C-N 3.25Å; R60-G62 PolarHBondContact O-N 2.78Å; R60-D63 WeakPolarHBondContact CB-OD2 3.42Å; R60-D63 PolarHBondContact N-OD2 3.08Å; R60-D63 IonicContact NE-OD1 3.89Å; R60-D63 IonicContact NE-OD2 2.76Å; R60-D63 VanDerWaalsContact O-CB 3.31Å; R60-D63 WeakPolarHBondContact O-CB 3.33Å; R60-D63 PolarHBondContact O-N 3.46Å; R60-D63 VanDerWaalsContact O-N 3.08Å |
| 61 | I | 87.8 | Confident | 85.3 | Confident | 24 Ų | 24 | 59 Ų | 59 | 12% | 0.123 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -65.3 | -31.6 | -178.8 | -156.4 | 165.1 | 0 | 0 | 0 | 112.3 | F47 T53 D63 L64 V98 S101 A103 | F47-I61 HydrophobicContact CE2-CD1 4.28Å; F47-I61 HydrophobicContact CE2-CG1 4.36Å; T53-I61 HydrophobicContact CG2-CB 4.23Å; I61-D63 PolarHBondContact O-N 3.37Å; I61-L64 HydrophobicContact CG1-CD1 3.86Å; I61-L64 VanDerWaalsContact O-CB 3.26Å; I61-L64 WeakPolarHBondContact O-CB 3.35Å; I61-L64 WeakPolarHBondContact O-CG 3.3Å; I61-L64 PolarHBondContact O-N 3.04Å; I61-L64 VanDerWaalsContact O-N 3.16Å; I61-V98 HydrophobicContact CD1-CG2 4.37Å; I61-V98 HydrophobicContact CG1-CG1 4.21Å; I61-V98 HydrophobicContact CG1-CG2 3.85Å; I61-V98 HydrophobicContact CG2-CG1 4.05Å; I61-S101 WeakPolarHBondContact CG2-O 3.17Å; I61-A103 HydrophobicContact CD1-CB 3.74Å |
| 62 | G | 86.5 | Confident | 85.4 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 19% | 0.186 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -66.5 | -20.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R60 L64 I65 A68 | R60-G62 VanDerWaalsContact C-N 3.25Å; R60-G62 PolarHBondContact O-N 2.78Å; G62-L64 PolarHBondContact O-N 3.29Å; G62-I65 WeakPolarHBondContact O-CB 3.46Å; G62-I65 WeakPolarHBondContact O-CG1 3.34Å; G62-I65 PolarHBondContact O-N 2.92Å; G62-A68 WeakPolarHBondContact O-CB 3.4Å |
| 63 | D | 88.8 | Confident | 85.5 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 18% | 0.176 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -73.6 | -7.4 | 176.2 | -61.1 | -23.7 | 0 | 0 | 0 | 111.8 | V58 R60 I61 P69 | V58-D63 HydrophobicContact CG1-CB 3.28Å; R60-D63 WeakPolarHBondContact CB-OD2 3.42Å; R60-D63 PolarHBondContact N-OD2 3.08Å; R60-D63 IonicContact NE-OD1 3.89Å; R60-D63 IonicContact NE-OD2 2.76Å; R60-D63 VanDerWaalsContact O-CB 3.31Å; R60-D63 WeakPolarHBondContact O-CB 3.33Å; R60-D63 PolarHBondContact O-N 3.46Å; R60-D63 VanDerWaalsContact O-N 3.08Å; I61-D63 PolarHBondContact O-N 3.37Å; D63-P69 HydrophobicContact CB-CG 4.34Å; D63-P69 WeakPolarHBondContact O-CG 3.26Å |
| 64 | L | 90.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -72.4 | -17.6 | 170.7 | -67.9 | 169.1 | 0 | 0 | 0 | 112.9 | F12 K13 F47 L56 V58 I61 G62 V98 | F12-L64 CarbonylContact C-O 3.59Å; F12-L64 HydrophobicContact CD2-CB 4.4Å; F12-L64 HydrophobicContact CE2-CB 4.19Å; F12-L64 HydrophobicContact CE2-CD1 4.34Å; F12-L64 HydrophobicContact CE2-CD2 3.73Å; F12-L64 HydrophobicContact CE2-CG 4.32Å; F12-L64 HydrophobicContact CZ-CD2 3.86Å; K13-L64 HydrophobicContact CG-CD2 4.28Å; K13-L64 PolarHBondContact N-O 3.21Å; F47-L64 HydrophobicContact CD2-CD1 3.62Å; F47-L64 HydrophobicContact CE2-CD1 3.57Å; F47-L64 HydrophobicContact CG-CD1 4.33Å; F47-L64 HydrophobicContact CZ-CD1 4.25Å; L56-L64 HydrophobicContact CD1-CD1 4.13Å; L56-L64 HydrophobicContact CD1-CD2 4.36Å; V58-L64 HydrophobicContact CG2-CD2 3.61Å; V58-L64 HydrophobicContact CG2-CG 4.34Å; I61-L64 HydrophobicContact CG1-CD1 3.86Å; I61-L64 VanDerWaalsContact O-CB 3.26Å; I61-L64 WeakPolarHBondContact O-CB 3.35Å; I61-L64 WeakPolarHBondContact O-CG 3.3Å; I61-L64 PolarHBondContact O-N 3.04Å; I61-L64 VanDerWaalsContact O-N 3.16Å; G62-L64 PolarHBondContact O-N 3.29Å; L64-V98 HydrophobicContact CD1-CG2 4.17Å |
| 65 | I | 90.6 | Very high | 85.9 | Confident | 10 Ų | 10 | 60.2 Ų | 60.2 | 5% | 0.051 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 133.6 | 178.7 | -60 | 172.1 | 0 | 0 | 0 | 109.1 | G62 G67 A68 P73 S75 C78 | G62-I65 WeakPolarHBondContact O-CB 3.46Å; G62-I65 WeakPolarHBondContact O-CG1 3.34Å; G62-I65 PolarHBondContact O-N 2.92Å; I65-G67 PolarHBondContact O-N 2.87Å; I65-G67 VanDerWaalsContact O-N 3.16Å; I65-A68 HydrophobicContact CB-CB 4.1Å; I65-A68 VanDerWaalsContact O-CB 3.24Å; I65-A68 WeakPolarHBondContact O-CB 3.31Å; I65-A68 PolarHBondContact O-N 2.94Å; I65-P73 HydrophobicContact CG2-CB 4.23Å; I65-S75 VanDerWaalsContact CG2-O 3.25Å; I65-S75 WeakPolarHBondContact CG2-O 3.36Å; I65-C78 HydrophobicContact CG1-CB 4.04Å |
| 66 | Y | 89.6 | Confident | 86.3 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 5% | 0.051 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 122.9 | 177.7 | 178.4 | -83.6 | 0 | 0 | 0 | 111.5 | N11 K13 S14 K16 A68 P73 V74 L1248 L1250 | N11-Y66 PolarHBondContact O-N 3.4Å; K13-Y66 WeakPolarHBondContact O-CA 3.28Å; K13-Y66 WeakPolarHBondContact O-CD2 3.4Å; S14-Y66 WeakPolarHBondContact O-CE2 3.37Å; K16-Y66 HydrophobicContact CB-CD1 4.21Å; K16-Y66 HydrophobicContact CB-CD2 4.04Å; K16-Y66 HydrophobicContact CB-CE1 4.05Å; K16-Y66 HydrophobicContact CB-CE2 3.88Å; K16-Y66 HydrophobicContact CB-CG 4.21Å; K16-Y66 HydrophobicContact CD-CE1 4.03Å; K16-Y66 HydrophobicContact CG-CD1 4.17Å; K16-Y66 HydrophobicContact CG-CE1 4.04Å; Y66-A68 VanDerWaalsContact C-N 3.34Å; Y66-P73 WeakPolarHBondContact O-CA 3.42Å; Y66-V74 HydrophobicContact CD1-CB 4Å; Y66-V74 HydrophobicContact CD1-CG2 3.42Å; Y66-V74 VanDerWaalsContact CD1-CG2 3.42Å; Y66-V74 HydrophobicContact CE1-CG2 3.68Å; Y66-V74 PolarHBondContact O-N 2.79Å; Y66-V74 VanDerWaalsContact O-N 3.1Å; Y66-L1248 HydrophobicContact CE1-CB 4.28Å; Y66-L1248 HydrophobicContact CE1-CD1 3.85Å; Y66-L1248 WeakPolarHBondContact OH-CB 3.25Å; Y66-L1250 HydrophobicContact CE2-CD1 4.38Å |
| 67 | G | 86.4 | Confident | 86.7 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -6.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | I65 V70 G71 K72 | I65-G67 PolarHBondContact O-N 2.87Å; I65-G67 VanDerWaalsContact O-N 3.16Å; G67-V70 PolarHBondContact O-N 2.77Å; G67-G71 PolarHBondContact O-N 3.07Å; G67-K72 CarbonylContact C-O 3.54Å; G67-K72 WeakPolarHBondContact CA-O 3.14Å; G67-K72 CarbonylContact O-C 3.55Å; G67-K72 VanDerWaalsContact O-C 3.25Å; G67-K72 PolarHBondContact O-N 3.22Å |
| 68 | A | 87 | Confident | 87.1 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -62.2 | -42.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G62 I65 Y66 V70 G71 P73 | G62-A68 WeakPolarHBondContact O-CB 3.4Å; I65-A68 HydrophobicContact CB-CB 4.1Å; I65-A68 VanDerWaalsContact O-CB 3.24Å; I65-A68 WeakPolarHBondContact O-CB 3.31Å; I65-A68 PolarHBondContact O-N 2.94Å; Y66-A68 VanDerWaalsContact C-N 3.34Å; A68-V70 PolarHBondContact O-N 2.71Å; A68-V70 VanDerWaalsContact O-N 3.15Å; A68-G71 PolarHBondContact O-N 3.39Å; A68-P73 HydrophobicContact CB-CB 4.33Å |
| 69 | P | 84.4 | Confident | 87.4 | Confident | 95 Ų | 95 | 61.5 Ų | 61.5 | 62% | 0.617 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -61.8 | -24.1 | 177.2 | -24.5 | 34.9 | 0 | 0 | 0 | 114.3 | D63 G71 | D63-P69 HydrophobicContact CB-CG 4.34Å; D63-P69 WeakPolarHBondContact O-CG 3.26Å; P69-G71 VanDerWaalsContact C-N 3.34Å |
| 70 | V | 84.2 | Confident | 87.9 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 59% | 0.594 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -95 | 4.5 | 179.3 | -166.8 | 0 | 0 | 0 | 0 | 111 | G67 A68 K72 L1248 | G67-V70 PolarHBondContact O-N 2.77Å; A68-V70 PolarHBondContact O-N 2.71Å; A68-V70 VanDerWaalsContact O-N 3.15Å; V70-K72 VanDerWaalsContact C-N 3.29Å; V70-K72 PolarHBondContact O-N 3.02Å; V70-L1248 HydrophobicContact CB-CD2 3.91Å; V70-L1248 HydrophobicContact CG1-CD2 4.21Å; V70-L1248 HydrophobicContact CG2-CD2 3.7Å |
| 71 | G | 83.5 | Confident | 88.4 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 65% | 0.649 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 13.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G67 A68 P69 | G67-G71 PolarHBondContact O-N 3.07Å; A68-G71 PolarHBondContact O-N 3.39Å; P69-G71 VanDerWaalsContact C-N 3.34Å |
| 72 | K | 85.2 | Confident | 88.7 | Confident | 138 Ų | 138 | 45.3 Ų | 45.3 | 60% | 0.6 | 27% | 0.266 | S | S | * | . | trans | -127.7 | 65.9 | 180 | -65.8 | -176.3 | -179.7 | 178.4 | 0 | 111.2 | G67 V70 V74 | G67-K72 CarbonylContact C-O 3.54Å; G67-K72 WeakPolarHBondContact CA-O 3.14Å; G67-K72 CarbonylContact O-C 3.55Å; G67-K72 VanDerWaalsContact O-C 3.25Å; G67-K72 PolarHBondContact O-N 3.22Å; V70-K72 VanDerWaalsContact C-N 3.29Å; V70-K72 PolarHBondContact O-N 3.02Å; K72-V74 PolarHBondContact O-N 3.4Å | ||
| 73 | P | 84.5 | Confident | 89 | Confident | 68 Ų | 68 | 45.8 Ų | 45.8 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | trans | -64 | 132.4 | 179.1 | 28.2 | -34.1 | 0 | 0 | 0 | 110.7 | I65 Y66 A68 S75 | I65-P73 HydrophobicContact CG2-CB 4.23Å; Y66-P73 WeakPolarHBondContact O-CA 3.42Å; A68-P73 HydrophobicContact CB-CB 4.33Å; P73-S75 VanDerWaalsContact C-N 3.32Å | ||
| 74 | V | 84.5 | Confident | 89.2 | Confident | 71 Ų | 71 | 44.9 Ų | 44.9 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -79 | -18.8 | 179.6 | 171.5 | 0 | 0 | 0 | 0 | 112.5 | Y66 K72 | Y66-V74 HydrophobicContact CD1-CB 4Å; Y66-V74 HydrophobicContact CD1-CG2 3.42Å; Y66-V74 VanDerWaalsContact CD1-CG2 3.42Å; Y66-V74 HydrophobicContact CE1-CG2 3.68Å; Y66-V74 PolarHBondContact O-N 2.79Å; Y66-V74 VanDerWaalsContact O-N 3.1Å; K72-V74 PolarHBondContact O-N 3.4Å |
| 75 | S | 86.2 | Confident | 89.3 | Confident | 36 Ų | 36 | 50 Ų | 50 | 25% | 0.252 | 28% | 0.279 | S | S | . | . | trans | -150.6 | 162 | -177.6 | 173.5 | 0 | 0 | 0 | 0 | 109.4 | I65 P73 R77 | I65-S75 VanDerWaalsContact CG2-O 3.25Å; I65-S75 WeakPolarHBondContact CG2-O 3.36Å; P73-S75 VanDerWaalsContact C-N 3.32Å; S75-R77 VanDerWaalsContact C-N 3.26Å; S75-R77 WeakPolarHBondContact CB-O 3.2Å; S75-R77 PolarHBondContact OG-N 3.26Å; S75-R77 PolarHBondContact OG-O 3.08Å | ||
| 76 | N | 86.8 | Confident | 89.1 | Confident | 133 Ų | 133 | 50.8 Ų | 50.8 | 71% | 0.711 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -87.3 | 1.6 | 167 | -79.3 | -14.6 | 0 | 0 | 0 | 113 | G100 | N76-G100 PolarHBondContact O-N 3.13Š|
| 77 | R | 91.2 | Very high | 88.7 | Confident | 88 Ų | 88 | 55.6 Ų | 55.6 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 135.3 | -176.1 | 174.6 | 178.7 | 165.1 | 176.2 | -5.5 | 111.3 | S75 V98 I99 | S75-R77 VanDerWaalsContact C-N 3.26Å; S75-R77 WeakPolarHBondContact CB-O 3.2Å; S75-R77 PolarHBondContact OG-N 3.26Å; S75-R77 PolarHBondContact OG-O 3.08Å; R77-V98 VanDerWaalsContact CA-O 3.23Å; R77-V98 WeakPolarHBondContact CA-O 3.3Å; R77-I99 HydrophobicContact CG-CG1 4.31Å |
| 78 | C | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 153.5 | 160.6 | 71.6 | 0 | 0 | 0 | 0 | 109.9 | E10 N11 I65 S97 V98 | E10-C78 VanDerWaalsContact O-CA 3.28Å; E10-C78 WeakPolarHBondContact O-CA 3.47Å; E10-C78 WeakPolarHBondContact O-CB 3.29Å; N11-C78 HydrophobicContact CB-CB 4.48Å; N11-C78 WeakPolarHBondContact O-CB 3.28Å; I65-C78 HydrophobicContact CG1-CB 4.04Å; C78-S97 CarbonylContact O-C 3.25Å; C78-S97 VanDerWaalsContact O-CA 3.28Å; C78-S97 WeakPolarHBondContact O-CA 3.5Å; C78-V98 PolarHBondContact N-O 3.22Å; C78-V98 PolarHBondContact O-N 3.37Å; C78-V98 VanDerWaalsContact SG-CG2 3.57Å |
| 79 | Q | 94.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 2% | 0.023 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 140.2 | 179.4 | 179.9 | 167.5 | 38.9 | 0 | 0 | 110.2 | E10 K81 R96 S97 | E10-Q79 HydrophobicContact CB-CB 4.19Å; E10-Q79 PolarHBondContact N-O 2.96Å; E10-Q79 PolarHBondContact O-N 2.91Å; Q79-K81 HydrophobicContact CG-CG 4.02Å; Q79-K81 VanDerWaalsContact OE1-CE 3.25Å; Q79-R96 WeakPolarHBondContact CA-O 3.34Å; Q79-S97 VanDerWaalsContact CG-OG 3.29Å; Q79-S97 WeakPolarHBondContact CG-OG 3.45Å; Q79-S97 PolarHBondContact NE2-OG 3.43Å |
| 80 | V | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.7 | 167.5 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | L7 T8 L9 F12 A44 F47 V48 A95 R96 | L7-V80 HydrophobicContact CD1-CG1 3.85Å; L7-V80 HydrophobicContact CD2-CG1 4.4Å; L7-V80 HydrophobicContact CG-CG1 4.11Å; T8-V80 CarbonylContact O-C 3.49Å; T8-V80 WeakPolarHBondContact O-CA 3.2Å; L9-V80 HydrophobicContact CD2-CG1 4.04Å; L9-V80 HydrophobicContact CD2-CG2 4.01Å; F12-V80 HydrophobicContact CB-CG2 4.32Å; F12-V80 HydrophobicContact CD2-CG2 3.47Å; F12-V80 VanDerWaalsContact CD2-CG2 3.47Å; F12-V80 HydrophobicContact CE2-CG2 3.79Å; F12-V80 HydrophobicContact CG-CG2 3.87Å; F12-V80 HydrophobicContact CZ-CG2 4.45Å; A44-V80 HydrophobicContact CB-CG1 4.18Å; A44-V80 HydrophobicContact CB-CG2 4.35Å; F47-V80 HydrophobicContact CD1-CB 3.98Å; F47-V80 HydrophobicContact CD1-CG2 3.66Å; F47-V80 HydrophobicContact CE1-CB 4.37Å; F47-V80 HydrophobicContact CE1-CG2 4.09Å; V48-V80 HydrophobicContact CB-CB 4.33Å; V48-V80 HydrophobicContact CB-CG1 3.89Å; V48-V80 HydrophobicContact CG1-CG1 4.34Å; V48-V80 HydrophobicContact CG2-CG1 4.43Å; V80-A95 CarbonylContact O-C 3.56Å; V80-A95 VanDerWaalsContact O-CA 3.26Å; V80-A95 WeakPolarHBondContact O-CA 3.48Å; V80-R96 PolarHBondContact N-O 3.23Å; V80-R96 PolarHBondContact O-N 2.96Å |
| 81 | K | 95.3 | Very high | 88.9 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 24% | 0.243 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.7 | 175 | -49.2 | -170 | -178.9 | -177.6 | 0 | 109.6 | L7 T8 Q79 V93 F94 A95 | L7-K81 CarbonylContact C-O 3.6Å; L7-K81 WeakPolarHBondContact CA-O 3.36Å; T8-K81 PolarHBondContact N-O 2.96Å; T8-K81 PolarHBondContact O-N 2.84Å; Q79-K81 HydrophobicContact CG-CG 4.02Å; Q79-K81 VanDerWaalsContact OE1-CE 3.25Å; K81-V93 HydrophobicContact CB-CG1 4.13Å; K81-V93 HydrophobicContact CD-CG1 4.29Å; K81-F94 CarbonylContact C-O 3.6Å; K81-F94 WeakPolarHBondContact CA-O 3.25Å; K81-A95 HydrophobicContact CB-CB 4.27Å; K81-A95 HydrophobicContact CD-CB 4.45Å; K81-A95 HydrophobicContact CG-CB 3.8Å |
| 82 | M | 94.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119.1 | 175.2 | -175.4 | -176.2 | 74.4 | 0 | 0 | 107.9 | L4 L7 V48 L49 V93 F94 L121 F1190 | L4-M82 HydrophobicContact CD1-CB 4.45Å; L4-M82 HydrophobicContact CD1-CG 3.23Å; L4-M82 HydrophobicContact CD1-SD 4.12Å; L7-M82 HydrophobicContact CD1-CB 4.21Å; V48-M82 HydrophobicContact CB-CB 4.46Å; V48-M82 HydrophobicContact CG1-CB 3.84Å; V48-M82 HydrophobicContact CG1-CG 4.39Å; V48-M82 HydrophobicContact CG1-SD 4.16Å; V48-M82 HydrophobicContact CG2-CB 3.81Å; L49-M82 HydrophobicContact CD2-CE 3.8Å; L49-M82 HydrophobicContact CD2-SD 3.64Å; L49-M82 HydrophobicContact CG-SD 4.41Å; M82-V93 WeakPolarHBondContact O-CA 3.32Å; M82-F94 HydrophobicContact CB-CB 4.27Å; M82-F94 HydrophobicContact CE-CB 3.94Å; M82-F94 HydrophobicContact CE-CD2 3.56Å; M82-F94 HydrophobicContact CE-CE2 4.28Å; M82-F94 HydrophobicContact CE-CG 3.9Å; M82-F94 PolarHBondContact N-O 2.96Å; M82-F94 PolarHBondContact O-N 3.05Å; M82-L121 HydrophobicContact CE-CD2 4.1Å; M82-F1190 HydrophobicContact SD-CE1 4.39Å; M82-F1190 HydrophobicContact SD-CZ 4.16Å |
| 83 | T | 94.3 | Very high | 89.8 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 108.1 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | V5 A6 L91 | V5-T83 HydrophobicContact CB-CG2 4.23Å; V5-T83 PolarHBondContact N-O 3.38Å; A6-T83 PolarHBondContact O-N 2.98Å; T83-L91 HydrophobicContact CG2-CD2 4.06Å |
| 84 | Y | 92.8 | Very high | 90.3 | Very high | 13 Ų | 13 | 55.3 Ų | 55.3 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.4 | 179.5 | 179.1 | -106.8 | 0 | 0 | 0 | 110.5 | G2 L3 L91 T92 I124 P1189 | G2-Y84 WeakPolarHBondContact CA-OH 3.46Å; L3-Y84 WeakPolarHBondContact O-CD2 3.48Å; Y84-L91 CarbonylContact O-C 3.56Å; Y84-L91 WeakPolarHBondContact O-CA 3.32Å; Y84-T92 PolarHBondContact N-O 3.28Å; Y84-T92 PolarHBondContact O-N 2.99Å; Y84-T92 PolarHBondContact O-OG1 2.88Å; Y84-I124 HydrophobicContact CD1-CD1 4.11Å; Y84-I124 HydrophobicContact CD1-CG2 4.24Å; Y84-I124 HydrophobicContact CE1-CB 4.02Å; Y84-I124 HydrophobicContact CE1-CD1 4.13Å; Y84-I124 HydrophobicContact CE1-CG2 3.62Å; Y84-I124 HydrophobicContact CG-CD1 4.3Å; Y84-P1189 HydrophobicContact CE2-CB 3.7Å; Y84-P1189 HydrophobicContact CE2-CG 3.86Å |
| 85 | R | 92 | Very high | 90.8 | Very high | 108 Ų | 108 | 52 Ų | 52 | 41% | 0.408 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121 | 171.7 | -174.5 | -178.5 | -64.4 | 161.4 | 1.2 | 108 | G2 L3 V5 L91 | G2-R85 CarbonylContact C-O 3.58Å; G2-R85 WeakPolarHBondContact CA-O 3.4Å; L3-R85 HydrophobicContact CD1-CB 4.12Å; L3-R85 HydrophobicContact CG-CB 4.35Å; L3-R85 PolarHBondContact N-O 3.5Å; L3-R85 PolarHBondContact O-N 2.62Å; V5-R85 HydrophobicContact CG2-CB 3.69Å; R85-L91 HydrophobicContact CB-CD2 3.85Å; R85-L91 HydrophobicContact CG-CD2 4.16Å |
| 86 | S | 86 | Confident | 91.2 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 170.9 | 173.8 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | D88 G89 K90 | S86-D88 PolarHBondContact O-N 3.42Å; S86-G89 PolarHBondContact O-N 2.71Å; S86-K90 PolarHBondContact N-O 2.96Å; S86-K90 WeakPolarHBondContact OG-CB 3.36Å; S86-K90 PolarHBondContact OG-N 3.24Å; S86-K90 PolarHBondContact OG-O 2.86Å |
| 87 | D | 81.9 | Confident | 91.5 | Very high | 114 Ų | 114 | 44.5 Ų | 44.5 | 61% | 0.61 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -37.7 | 173.8 | -65.9 | -43.6 | 0 | 0 | 0 | 112.9 | M1 G2 G89 | M1-D87 WeakPolarHBondContact CA-OD1 3.35Å; M1-D87 PolarHBondContact N-OD1 2.84Å; G2-D87 PolarHBondContact N-OD1 3.15Å; D87-G89 PolarHBondContact O-N 3.46Å; D87-G89 VanDerWaalsContact O-N 3.13Å |
| 88 | D | 83.9 | Confident | 91.5 | Very high | 154 Ų | 154 | 40.3 Ų | 40.3 | 82% | 0.824 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 4.4 | 178.9 | -58.3 | -30.3 | 0 | 0 | 0 | 113.1 | S86 K90 | S86-D88 PolarHBondContact O-N 3.42Å; D88-K90 PolarHBondContact O-N 2.92Å |
| 89 | G | 83 | Confident | 91.3 | Very high | 44 Ų | 44 | 44.1 Ų | 44.1 | 45% | 0.454 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 75.9 | -3.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S86 D87 L91 | S86-G89 PolarHBondContact O-N 2.71Å; D87-G89 PolarHBondContact O-N 3.46Å; D87-G89 VanDerWaalsContact O-N 3.13Å; G89-L91 PolarHBondContact O-N 2.92Å |
| 90 | K | 88.3 | Confident | 90.6 | Very high | 133 Ų | 133 | 46 Ų | 46 | 58% | 0.578 | 25% | 0.251 | S | S | * | . | trans | -66.3 | 125.6 | 177 | -176.6 | -177.8 | 178.1 | -175.9 | 0 | 110 | S86 D88 | S86-K90 PolarHBondContact N-O 2.96Å; S86-K90 WeakPolarHBondContact OG-CB 3.36Å; S86-K90 PolarHBondContact OG-N 3.24Å; S86-K90 PolarHBondContact OG-O 2.86Å; D88-K90 PolarHBondContact O-N 2.92Å | ||
| 91 | L | 91.8 | Very high | 89.9 | Confident | 91 Ų | 91 | 51.2 Ų | 51.2 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128.5 | 172.7 | -67.3 | 169.4 | 0 | 0 | 0 | 109.5 | V5 T83 Y84 R85 G89 | V5-L91 HydrophobicContact CG2-CD2 4.07Å; T83-L91 HydrophobicContact CG2-CD2 4.06Å; Y84-L91 CarbonylContact O-C 3.56Å; Y84-L91 WeakPolarHBondContact O-CA 3.32Å; R85-L91 HydrophobicContact CB-CD2 3.85Å; R85-L91 HydrophobicContact CG-CD2 4.16Å; G89-L91 PolarHBondContact O-N 2.92Å |
| 92 | T | 92.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 14% | 0.135 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 132.5 | 175 | 44.8 | 0 | 0 | 0 | 0 | 109 | Y84 D108 | Y84-T92 PolarHBondContact N-O 3.28Å; Y84-T92 PolarHBondContact O-N 2.99Å; Y84-T92 PolarHBondContact O-OG1 2.88Å; T92-D108 WeakPolarHBondContact CA-OD1 3.34Å |
| 93 | V | 94.7 | Very high | 89.2 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 20% | 0.2 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 104.8 | -177.6 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | K81 M82 I107 D108 | K81-V93 HydrophobicContact CB-CG1 4.13Å; K81-V93 HydrophobicContact CD-CG1 4.29Å; M82-V93 WeakPolarHBondContact O-CA 3.32Å; V93-I107 CarbonylContact O-C 3.58Å; V93-I107 WeakPolarHBondContact O-CA 3.5Å; V93-D108 PolarHBondContact N-OD1 3.37Å; V93-D108 PolarHBondContact O-N 3.47Å |
| 94 | F | 95.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 126.3 | 172.3 | -68.9 | -86.8 | 0 | 0 | 0 | 108.8 | V48 K81 M82 I107 Y117 A120 L121 I124 | V48-F94 HydrophobicContact CG2-CB 4.5Å; V48-F94 WeakPolarHBondContact CG2-O 3.48Å; K81-F94 CarbonylContact C-O 3.6Å; K81-F94 WeakPolarHBondContact CA-O 3.25Å; M82-F94 HydrophobicContact CB-CB 4.27Å; M82-F94 HydrophobicContact CE-CB 3.94Å; M82-F94 HydrophobicContact CE-CD2 3.56Å; M82-F94 HydrophobicContact CE-CE2 4.28Å; M82-F94 HydrophobicContact CE-CG 3.9Å; M82-F94 PolarHBondContact N-O 2.96Å; M82-F94 PolarHBondContact O-N 3.05Å; F94-I107 HydrophobicContact CD1-CG1 4.25Å; F94-I107 HydrophobicContact CE1-CD1 4.48Å; F94-I107 HydrophobicContact CE1-CG1 4.35Å; F94-Y117 HydrophobicContact CB-CE2 4.23Å; F94-Y117 WeakPolarHBondContact CB-OH 3.19Å; F94-Y117 HydrophobicContact CD1-CD2 4.39Å; F94-Y117 AromaticContact CD1-CE2 3.82Å; F94-Y117 HydrophobicContact CD1-CE2 3.82Å; F94-Y117 AromaticContact CD1-CZ 3.97Å; F94-A120 HydrophobicContact CE1-CB 3.88Å; F94-A120 HydrophobicContact CZ-CB 4.38Å; F94-L121 HydrophobicContact CD1-CD2 3.85Å; F94-L121 HydrophobicContact CD1-CG 4.27Å; F94-L121 HydrophobicContact CE1-CD2 3.77Å; F94-L121 HydrophobicContact CE1-CG 4.06Å; F94-L121 HydrophobicContact CE2-CD2 4.46Å; F94-L121 HydrophobicContact CG-CD2 4.24Å; F94-L121 HydrophobicContact CZ-CD2 4.08Å; F94-I124 HydrophobicContact CE2-CD1 4Å; F94-I124 HydrophobicContact CZ-CD1 4.1Å |
| 95 | A | 94.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V80 K81 R106 | V80-A95 CarbonylContact O-C 3.56Å; V80-A95 VanDerWaalsContact O-CA 3.26Å; V80-A95 WeakPolarHBondContact O-CA 3.48Å; K81-A95 HydrophobicContact CB-CB 4.27Å; K81-A95 HydrophobicContact CD-CB 4.45Å; K81-A95 HydrophobicContact CG-CB 3.8Å; A95-R106 HydrophobicContact CB-CB 4.22Å; A95-R106 PolarHBondContact N-O 3.08Å; A95-R106 PolarHBondContact O-N 3.03Å |
| 96 | R | 94.5 | Very high | 89.3 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 5% | 0.045 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.6 | 173.1 | -163.9 | -180 | -175.8 | -174.1 | 3.2 | 108.8 | F47 E51 Q79 V80 E104 Y105 | F47-R96 HydrophobicContact CD1-CB 4.21Å; F47-R96 HydrophobicContact CD1-CG 4.46Å; F47-R96 HydrophobicContact CE1-CB 3.69Å; F47-R96 HydrophobicContact CE1-CG 3.77Å; F47-R96 WeakPolarHBondContact CE1-O 3.49Å; F47-R96 HydrophobicContact CE2-CG 4.07Å; F47-R96 HydrophobicContact CZ-CB 4.01Å; F47-R96 HydrophobicContact CZ-CG 3.53Å; F47-R96 WeakPolarHBondContact O-CD 3.26Å; F47-R96 PolarHBondContact O-NH1 3.32Å; E51-R96 PolarHBondContact O-NH1 3.46Å; Q79-R96 WeakPolarHBondContact CA-O 3.34Å; V80-R96 PolarHBondContact N-O 3.23Å; V80-R96 PolarHBondContact O-N 2.96Å; R96-E104 WeakPolarHBondContact CA-O 3.1Å; R96-Y105 HydrophobicContact CG-CD1 4.06Å; R96-Y105 HydrophobicContact CG-CE1 3.94Å; R96-Y105 PolarHBondContact NE-OH 3.38Å; R96-Y105 PolarHBondContact NH2-OH 2.93Å |
| 97 | S | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 140.6 | 179.3 | -60.4 | 0 | 0 | 0 | 0 | 110.3 | C78 Q79 A103 E104 R106 | C78-S97 CarbonylContact O-C 3.25Å; C78-S97 VanDerWaalsContact O-CA 3.28Å; C78-S97 WeakPolarHBondContact O-CA 3.5Å; Q79-S97 VanDerWaalsContact CG-OG 3.29Å; Q79-S97 WeakPolarHBondContact CG-OG 3.45Å; Q79-S97 PolarHBondContact NE2-OG 3.43Å; S97-A103 CarbonylContact O-C 3.57Å; S97-A103 VanDerWaalsContact O-CA 3.29Å; S97-A103 WeakPolarHBondContact O-CA 3.34Å; S97-E104 PolarHBondContact N-O 2.94Å; S97-E104 PolarHBondContact O-N 2.81Å; S97-R106 PolarHBondContact OG-NH1 3.11Å; S97-R106 VanDerWaalsContact OG-NH1 3.14Å |
| 98 | V | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.7 | 167.8 | -173.5 | 0 | 0 | 0 | 0 | 107.4 | F47 I61 L64 R77 C78 S102 | F47-V98 HydrophobicContact CE1-CG2 4.35Å; F47-V98 HydrophobicContact CE2-CG2 3.87Å; F47-V98 HydrophobicContact CZ-CG2 3.4Å; F47-V98 VanDerWaalsContact CZ-CG2 3.4Å; I61-V98 HydrophobicContact CD1-CG2 4.37Å; I61-V98 HydrophobicContact CG1-CG1 4.21Å; I61-V98 HydrophobicContact CG1-CG2 3.85Å; I61-V98 HydrophobicContact CG2-CG1 4.05Å; L64-V98 HydrophobicContact CD1-CG2 4.17Å; R77-V98 VanDerWaalsContact CA-O 3.23Å; R77-V98 WeakPolarHBondContact CA-O 3.3Å; C78-V98 PolarHBondContact N-O 3.22Å; C78-V98 PolarHBondContact O-N 3.37Å; C78-V98 VanDerWaalsContact SG-CG2 3.57Å; V98-S102 WeakPolarHBondContact CA-O 3.41Å |
| 99 | I | 88 | Confident | 90.4 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 42% | 0.415 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 105.4 | 174.4 | -57 | 175.1 | 0 | 0 | 0 | 106.8 | R77 S101 S102 E104 | R77-I99 HydrophobicContact CG-CG1 4.31Å; I99-S101 PolarHBondContact O-N 3.23Å; I99-S101 VanDerWaalsContact O-N 3.11Å; I99-S102 PolarHBondContact N-O 3.22Å; I99-S102 PolarHBondContact O-N 3.01Å; I99-S102 VanDerWaalsContact O-N 3.09Å; I99-E104 VanDerWaalsContact CD1-OE2 3.31Å; I99-E104 WeakPolarHBondContact CD1-OE2 3.49Å |
| 100 | G | 79.7 | Confident | 90.9 | Very high | 43 Ų | 43 | 51 Ų | 51 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -110.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N76 | N76-G100 PolarHBondContact O-N 3.13Š|
| 101 | S | 80.8 | Confident | 91.1 | Very high | 111 Ų | 111 | 49 Ų | 49 | 78% | 0.776 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -0.7 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | I61 I99 | I61-S101 WeakPolarHBondContact CG2-O 3.17Å; I99-S101 PolarHBondContact O-N 3.23Å; I99-S101 VanDerWaalsContact O-N 3.11Å |
| 102 | S | 86.5 | Confident | 91.2 | Very high | 76 Ų | 76 | 45.6 Ų | 45.6 | 53% | 0.531 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 151.9 | -177.7 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | V98 I99 | V98-S102 WeakPolarHBondContact CA-O 3.41Å; I99-S102 PolarHBondContact N-O 3.22Å; I99-S102 PolarHBondContact O-N 3.01Å; I99-S102 VanDerWaalsContact O-N 3.09Å |
| 103 | A | 87.2 | Confident | 91.2 | Very high | 26 Ų | 26 | 48 Ų | 48 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I61 S97 | I61-A103 HydrophobicContact CD1-CB 3.74Å; S97-A103 CarbonylContact O-C 3.57Å; S97-A103 VanDerWaalsContact O-CA 3.29Å; S97-A103 WeakPolarHBondContact O-CA 3.34Å |
| 104 | E | 92.5 | Very high | 90.9 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.4 | 179.1 | -172.1 | -174.1 | -179.7 | 0 | 0 | 109.3 | R96 S97 I99 R106 V111 | R96-E104 WeakPolarHBondContact CA-O 3.1Å; S97-E104 PolarHBondContact N-O 2.94Å; S97-E104 PolarHBondContact O-N 2.81Å; I99-E104 VanDerWaalsContact CD1-OE2 3.31Å; I99-E104 WeakPolarHBondContact CD1-OE2 3.49Å; E104-R106 VanDerWaalsContact CD-CZ 3.48Å; E104-R106 IonicContact OE1-CZ 3.46Å; E104-R106 IonicContact OE1-NE 3.62Å; E104-R106 IonicContact OE1-NH2 3.52Å; E104-R106 PolarHBondContact OE1-NH2 3.16Å; E104-R106 IonicContact OE2-CZ 3.46Å; E104-R106 VanDerWaalsContact OE2-CZ 3.3Å; E104-R106 IonicContact OE2-NH1 3.94Å; E104-R106 IonicContact OE2-NH2 2.93Å; E104-R106 PolarHBondContact OE2-NH2 3.31Å; E104-V111 HydrophobicContact CG-CG1 3.8Å; E104-V111 WeakPolarHBondContact OE1-CG1 3.37Å; E104-V111 WeakPolarHBondContact OE1-CG2 3.18Å |
| 105 | Y | 94.1 | Very high | 90.7 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 11% | 0.114 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.9 | -179.7 | -57.6 | -87.7 | 0 | 0 | 0 | 109.7 | R96 V111 V112 H114 Y117 | R96-Y105 HydrophobicContact CG-CD1 4.06Å; R96-Y105 HydrophobicContact CG-CE1 3.94Å; R96-Y105 PolarHBondContact NE-OH 3.38Å; R96-Y105 PolarHBondContact NH2-OH 2.93Å; Y105-V111 WeakPolarHBondContact O-CA 3.43Å; Y105-V112 PolarHBondContact O-N 2.79Å; Y105-H114 HydrophobicContact CD2-CB 4.11Å; Y105-H114 HydrophobicContact CE2-CB 3.86Å; Y105-H114 AromaticContact CE2-CD2 3.85Å; Y105-H114 AromaticContact CZ-CD2 3.53Å; Y105-H114 PolarHBondContact OH-CD2 2.82Å; Y105-Y117 AromaticContact CD1-CD1 3.72Å; Y105-Y117 HydrophobicContact CD1-CD1 3.72Å; Y105-Y117 HydrophobicContact CD1-CD2 4.28Å; Y105-Y117 AromaticContact CD1-CE1 3.93Å; Y105-Y117 HydrophobicContact CD1-CE1 3.93Å; Y105-Y117 HydrophobicContact CD1-CE2 4.47Å; Y105-Y117 AromaticContact CD1-CG 3.88Å; Y105-Y117 HydrophobicContact CD1-CG 3.88Å; Y105-Y117 HydrophobicContact CE1-CD1 4.4Å; Y105-Y117 HydrophobicContact CG-CD1 4.46Å; Y105-Y117 HydrophobicContact CG-CD2 4.43Å; Y105-Y117 HydrophobicContact CG-CG 4.17Å |
| 106 | R | 94.9 | Very high | 90.6 | Very high | 32 Ų | 32 | 61.8 Ų | 61.8 | 12% | 0.121 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 140.1 | 177.6 | -63.3 | -175.7 | 176.6 | 106.1 | 3.1 | 112.2 | A95 S97 E104 E110 V111 Y117 | A95-R106 HydrophobicContact CB-CB 4.22Å; A95-R106 PolarHBondContact N-O 3.08Å; A95-R106 PolarHBondContact O-N 3.03Å; S97-R106 PolarHBondContact OG-NH1 3.11Å; S97-R106 VanDerWaalsContact OG-NH1 3.14Å; E104-R106 VanDerWaalsContact CD-CZ 3.48Å; E104-R106 IonicContact OE1-CZ 3.46Å; E104-R106 IonicContact OE1-NE 3.62Å; E104-R106 IonicContact OE1-NH2 3.52Å; E104-R106 PolarHBondContact OE1-NH2 3.16Å; E104-R106 IonicContact OE2-CZ 3.46Å; E104-R106 VanDerWaalsContact OE2-CZ 3.3Å; E104-R106 IonicContact OE2-NH1 3.94Å; E104-R106 IonicContact OE2-NH2 2.93Å; E104-R106 PolarHBondContact OE2-NH2 3.31Å; R106-E110 CarbonylContact C-O 3.58Å; R106-E110 WeakPolarHBondContact CA-O 3.44Å; R106-E110 WeakPolarHBondContact CB-O 3.33Å; R106-V111 HydrophobicContact CG-CG2 4.13Å; R106-Y117 WeakPolarHBondContact O-CE2 3.43Å |
| 107 | I | 94.1 | Very high | 90.5 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.1 | 168.6 | -59.4 | 171.5 | 0 | 0 | 0 | 106.6 | V93 F94 N109 E110 V112 Y117 A120 | V93-I107 CarbonylContact O-C 3.58Å; V93-I107 WeakPolarHBondContact O-CA 3.5Å; F94-I107 HydrophobicContact CD1-CG1 4.25Å; F94-I107 HydrophobicContact CE1-CD1 4.48Å; F94-I107 HydrophobicContact CE1-CG1 4.35Å; I107-N109 PolarHBondContact O-N 2.89Å; I107-N109 VanDerWaalsContact O-N 3.12Å; I107-E110 PolarHBondContact N-O 3.49Å; I107-E110 WeakPolarHBondContact O-CB 3.43Å; I107-E110 PolarHBondContact O-N 3.07Å; I107-V112 HydrophobicContact CD1-CG1 4.34Å; I107-V112 HydrophobicContact CD1-CG2 3.98Å; I107-V112 HydrophobicContact CG1-CG1 4.47Å; I107-V112 HydrophobicContact CG1-CG2 3.87Å; I107-Y117 HydrophobicContact CD1-CD2 4.28Å; I107-Y117 HydrophobicContact CG1-CD2 3.79Å; I107-Y117 HydrophobicContact CG1-CE2 4.18Å; I107-A120 HydrophobicContact CD1-CB 3.55Å |
| 108 | D | 92 | Very high | 90.3 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 38.1 | -179.8 | -61 | -32 | 0 | 0 | 0 | 113.2 | T92 V93 E110 | T92-D108 WeakPolarHBondContact CA-OD1 3.34Å; V93-D108 PolarHBondContact N-OD1 3.37Å; V93-D108 PolarHBondContact O-N 3.47Å; D108-E110 PolarHBondContact O-N 3.02Å |
| 109 | N | 89.3 | Confident | 90.3 | Very high | 104 Ų | 104 | 67.1 Ų | 67.1 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 0.6 | -174.3 | -55.3 | -55.3 | 0 | 0 | 0 | 116.4 | I107 | I107-N109 PolarHBondContact O-N 2.89Å; I107-N109 VanDerWaalsContact O-N 3.12Å |
| 110 | E | 92.8 | Very high | 90.4 | Very high | 132 Ų | 132 | 64.3 Ų | 64.3 | 62% | 0.617 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 135.6 | 171 | -63.2 | -166.1 | 159.9 | 0 | 0 | 111.4 | R106 I107 D108 V112 | R106-E110 CarbonylContact C-O 3.58Å; R106-E110 WeakPolarHBondContact CA-O 3.44Å; R106-E110 WeakPolarHBondContact CB-O 3.33Å; I107-E110 PolarHBondContact N-O 3.49Å; I107-E110 WeakPolarHBondContact O-CB 3.43Å; I107-E110 PolarHBondContact O-N 3.07Å; D108-E110 PolarHBondContact O-N 3.02Å; E110-V112 PolarHBondContact O-N 3.38Å |
| 111 | V | 92.8 | Very high | 90.8 | Very high | 92 Ų | 92 | 62.3 Ų | 62.3 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 125 | 177.7 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | E104 Y105 R106 | E104-V111 HydrophobicContact CG-CG1 3.8Å; E104-V111 WeakPolarHBondContact OE1-CG1 3.37Å; E104-V111 WeakPolarHBondContact OE1-CG2 3.18Å; Y105-V111 WeakPolarHBondContact O-CA 3.43Å; R106-V111 HydrophobicContact CG-CG2 4.13Å |
| 112 | V | 93.6 | Very high | 91.1 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 11% | 0.109 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 157.8 | -178.5 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | Y105 I107 E110 R116 Y117 | Y105-V112 PolarHBondContact O-N 2.79Å; I107-V112 HydrophobicContact CD1-CG1 4.34Å; I107-V112 HydrophobicContact CD1-CG2 3.98Å; I107-V112 HydrophobicContact CG1-CG1 4.47Å; I107-V112 HydrophobicContact CG1-CG2 3.87Å; E110-V112 PolarHBondContact O-N 3.38Å; V112-R116 HydrophobicContact CB-CB 4.45Å; V112-Y117 HydrophobicContact CG2-CD2 3.9Å; V112-Y117 HydrophobicContact CG2-CG 4.47Å |
| 113 | S | 92.7 | Very high | 91.1 | Very high | 72 Ų | 72 | 62.3 Ų | 62.3 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | trans | -67.7 | 155.5 | 170.6 | 69.6 | 0 | 0 | 0 | 0 | 110.5 | V115 R116 Y117 | S113-V115 PolarHBondContact O-N 3.19Å; S113-R116 PolarHBondContact O-N 2.89Å; S113-R116 PolarHBondContact OG-N 2.83Å; S113-Y117 WeakPolarHBondContact O-CB 3.38Å; S113-Y117 PolarHBondContact O-N 3.46Å | ||
| 114 | H | 89 | Confident | 91.1 | Very high | 89 Ų | 89 | 62.4 Ų | 62.4 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -54.2 | -39.8 | 173.7 | 174.5 | -92.8 | 0 | 0 | 0 | 112 | Y105 Y117 V118 | Y105-H114 HydrophobicContact CD2-CB 4.11Å; Y105-H114 HydrophobicContact CE2-CB 3.86Å; Y105-H114 AromaticContact CE2-CD2 3.85Å; Y105-H114 AromaticContact CZ-CD2 3.53Å; Y105-H114 PolarHBondContact OH-CD2 2.82Å; H114-Y117 WeakPolarHBondContact O-CB 3.35Å; H114-Y117 PolarHBondContact O-N 2.98Å; H114-V118 VanDerWaalsContact O-CG2 3.3Å; H114-V118 WeakPolarHBondContact O-CG2 3.25Å; H114-V118 PolarHBondContact O-N 3.02Å |
| 115 | V | 91 | Very high | 90.7 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -51.9 | -179.9 | -179.8 | 0 | 0 | 0 | 0 | 111 | S113 Y117 V118 E119 | S113-V115 PolarHBondContact O-N 3.19Å; V115-Y117 VanDerWaalsContact C-N 3.25Å; V115-Y117 PolarHBondContact O-N 3.23Å; V115-V118 PolarHBondContact O-N 3.39Å; V115-E119 WeakPolarHBondContact O-CG 3.47Å; V115-E119 PolarHBondContact O-N 2.66Å |
| 116 | R | 91.9 | Very high | 90.2 | Very high | 149 Ų | 149 | 62.4 Ų | 62.4 | 56% | 0.562 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.7 | -31.6 | 179 | -170.6 | 175 | -179.9 | -171.8 | -3.3 | 112.2 | V112 S113 A120 | V112-R116 HydrophobicContact CB-CB 4.45Å; S113-R116 PolarHBondContact O-N 2.89Å; S113-R116 PolarHBondContact OG-N 2.83Å; R116-A120 WeakPolarHBondContact O-CB 3.41Å; R116-A120 PolarHBondContact O-N 3.45Å; R116-A120 VanDerWaalsContact O-N 3.09Å |
| 117 | Y | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.3 | -46 | 174.5 | -167.3 | -95.7 | 0 | 0 | 0 | 112.3 | V48 F94 Y105 R106 I107 V112 S113 H114 V115 A120 L121 | V48-Y117 WeakPolarHBondContact O-CE1 3.48Å; V48-Y117 PolarHBondContact O-OH 3.03Å; F94-Y117 HydrophobicContact CB-CE2 4.23Å; F94-Y117 WeakPolarHBondContact CB-OH 3.19Å; F94-Y117 HydrophobicContact CD1-CD2 4.39Å; F94-Y117 AromaticContact CD1-CE2 3.82Å; F94-Y117 HydrophobicContact CD1-CE2 3.82Å; F94-Y117 AromaticContact CD1-CZ 3.97Å; Y105-Y117 AromaticContact CD1-CD1 3.72Å; Y105-Y117 HydrophobicContact CD1-CD1 3.72Å; Y105-Y117 HydrophobicContact CD1-CD2 4.28Å; Y105-Y117 AromaticContact CD1-CE1 3.93Å; Y105-Y117 HydrophobicContact CD1-CE1 3.93Å; Y105-Y117 HydrophobicContact CD1-CE2 4.47Å; Y105-Y117 AromaticContact CD1-CG 3.88Å; Y105-Y117 HydrophobicContact CD1-CG 3.88Å; Y105-Y117 HydrophobicContact CE1-CD1 4.4Å; Y105-Y117 HydrophobicContact CG-CD1 4.46Å; Y105-Y117 HydrophobicContact CG-CD2 4.43Å; Y105-Y117 HydrophobicContact CG-CG 4.17Å; R106-Y117 WeakPolarHBondContact O-CE2 3.43Å; I107-Y117 HydrophobicContact CD1-CD2 4.28Å; I107-Y117 HydrophobicContact CG1-CD2 3.79Å; I107-Y117 HydrophobicContact CG1-CE2 4.18Å; V112-Y117 HydrophobicContact CG2-CD2 3.9Å; V112-Y117 HydrophobicContact CG2-CG 4.47Å; S113-Y117 WeakPolarHBondContact O-CB 3.38Å; S113-Y117 PolarHBondContact O-N 3.46Å; H114-Y117 WeakPolarHBondContact O-CB 3.35Å; H114-Y117 PolarHBondContact O-N 2.98Å; V115-Y117 VanDerWaalsContact C-N 3.25Å; V115-Y117 PolarHBondContact O-N 3.23Å; Y117-A120 PolarHBondContact O-N 3.44Å; Y117-L121 HydrophobicContact CD1-CD1 3.82Å; Y117-L121 HydrophobicContact CD1-CG 4.47Å; Y117-L121 HydrophobicContact CE1-CD1 3.6Å; Y117-L121 HydrophobicContact CE1-CG 4.36Å; Y117-L121 PolarHBondContact O-N 3.44Å; Y117-L121 VanDerWaalsContact O-N 3.12Å |
| 118 | V | 89.4 | Confident | 88.9 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 14% | 0.139 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | H114 V115 A120 L121 E122 I128 | H114-V118 VanDerWaalsContact O-CG2 3.3Å; H114-V118 WeakPolarHBondContact O-CG2 3.25Å; H114-V118 PolarHBondContact O-N 3.02Å; V115-V118 PolarHBondContact O-N 3.39Å; V118-A120 VanDerWaalsContact C-N 3.25Å; V118-A120 PolarHBondContact O-N 3.44Å; V118-L121 CarbonylContact O-C 3.55Å; V118-L121 WeakPolarHBondContact O-CA 3.32Å; V118-L121 WeakPolarHBondContact O-CB 3.34Å; V118-L121 PolarHBondContact O-N 2.66Å; V118-E122 HydrophobicContact CG1-CG 4.07Å; V118-E122 WeakPolarHBondContact O-CG 3.35Å; V118-E122 PolarHBondContact O-N 3.31Å; V118-I128 HydrophobicContact CB-CD1 4.28Å; V118-I128 HydrophobicContact CG1-CD1 4.05Å; V118-I128 HydrophobicContact CG2-CD1 3.7Å |
| 119 | E | 90.2 | Very high | 88 | Confident | 101 Ų | 101 | 68.1 Ų | 68.1 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -54.3 | -41.5 | 175.8 | -74 | 171 | 178.2 | 0 | 0 | 112.3 | V115 L121 E122 N123 | V115-E119 WeakPolarHBondContact O-CG 3.47Å; V115-E119 PolarHBondContact O-N 2.66Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 3Å; E119-E122 PolarHBondContact O-N 3.49Å; E119-N123 PolarHBondContact O-N 2.99Å; E119-N123 PolarHBondContact O-ND2 3.15Å |
| 120 | A | 90.4 | Very high | 87.1 | Confident | 23 Ų | 23 | 63.3 Ų | 63.3 | 19% | 0.19 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.3 | -34.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F94 I107 R116 Y117 V118 | F94-A120 HydrophobicContact CE1-CB 3.88Å; F94-A120 HydrophobicContact CZ-CB 4.38Å; I107-A120 HydrophobicContact CD1-CB 3.55Å; R116-A120 WeakPolarHBondContact O-CB 3.41Å; R116-A120 PolarHBondContact O-N 3.45Å; R116-A120 VanDerWaalsContact O-N 3.09Å; Y117-A120 PolarHBondContact O-N 3.44Å; V118-A120 VanDerWaalsContact C-N 3.25Å; V118-A120 PolarHBondContact O-N 3.44Å |
| 121 | L | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.5 | -37.3 | 172.4 | -71.7 | 173.8 | 0 | 0 | 0 | 112 | L49 M82 F94 Y117 V118 E119 N123 I124 I126 I128 | L49-L121 HydrophobicContact CD2-CD2 4.02Å; M82-L121 HydrophobicContact CE-CD2 4.1Å; F94-L121 HydrophobicContact CD1-CD2 3.85Å; F94-L121 HydrophobicContact CD1-CG 4.27Å; F94-L121 HydrophobicContact CE1-CD2 3.77Å; F94-L121 HydrophobicContact CE1-CG 4.06Å; F94-L121 HydrophobicContact CE2-CD2 4.46Å; F94-L121 HydrophobicContact CG-CD2 4.24Å; F94-L121 HydrophobicContact CZ-CD2 4.08Å; Y117-L121 HydrophobicContact CD1-CD1 3.82Å; Y117-L121 HydrophobicContact CD1-CG 4.47Å; Y117-L121 HydrophobicContact CE1-CD1 3.6Å; Y117-L121 HydrophobicContact CE1-CG 4.36Å; Y117-L121 PolarHBondContact O-N 3.44Å; Y117-L121 VanDerWaalsContact O-N 3.12Å; V118-L121 CarbonylContact O-C 3.55Å; V118-L121 WeakPolarHBondContact O-CA 3.32Å; V118-L121 WeakPolarHBondContact O-CB 3.34Å; V118-L121 PolarHBondContact O-N 2.66Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 3Å; L121-N123 VanDerWaalsContact C-N 3.33Å; L121-N123 PolarHBondContact O-N 2.87Å; L121-I124 HydrophobicContact CD2-CD1 4.06Å; L121-I124 CarbonylContact O-C 3.45Å; L121-I124 WeakPolarHBondContact O-CG1 3.5Å; L121-I124 PolarHBondContact O-N 3.03Å; L121-I126 HydrophobicContact CB-CB 4.36Å; L121-I126 HydrophobicContact CD2-CD1 4.43Å; L121-I126 WeakPolarHBondContact O-CB 3.41Å; L121-I126 PolarHBondContact O-N 3.44Å; L121-I128 HydrophobicContact CD1-CD1 3.77Å; L121-I128 HydrophobicContact CD1-CG1 4.27Å |
| 122 | E | 86.8 | Confident | 85.4 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 24% | 0.243 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -35.3 | 176.4 | -67.2 | -167.4 | -180 | 0 | 0 | 112.1 | V118 E119 I124 N125 F127 R160 | V118-E122 HydrophobicContact CG1-CG 4.07Å; V118-E122 WeakPolarHBondContact O-CG 3.35Å; V118-E122 PolarHBondContact O-N 3.31Å; E119-E122 PolarHBondContact O-N 3.49Å; E122-I124 PolarHBondContact O-N 3.27Å; E122-N125 WeakPolarHBondContact O-CA 3.33Å; E122-N125 PolarHBondContact O-N 3.39Å; E122-F127 HydrophobicContact CB-CD1 4.22Å; E122-F127 HydrophobicContact CB-CE1 4Å; E122-F127 HydrophobicContact CG-CD1 3.89Å; E122-F127 HydrophobicContact CG-CE1 4.15Å; E122-R160 IonicContact OE2-CZ 3.03Å; E122-R160 IonicContact OE2-NH1 3.36Å; E122-R160 IonicContact OE2-NH2 2.83Å; E122-R160 PolarHBondContact OE2-NH2 3.11Å |
| 123 | N | 87.2 | Confident | 84.7 | Confident | 135 Ų | 135 | 57.3 Ų | 57.3 | 72% | 0.722 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.4 | 174.4 | -71.8 | -22.9 | 0 | 0 | 0 | 113.3 | E119 L121 | E119-N123 PolarHBondContact O-N 2.99Å; E119-N123 PolarHBondContact O-ND2 3.15Å; L121-N123 VanDerWaalsContact C-N 3.33Å; L121-N123 PolarHBondContact O-N 2.87Å |
| 124 | I | 85.3 | Confident | 84.3 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 21.6 | 172.2 | 63.3 | 169.3 | 0 | 0 | 0 | 111.8 | Y84 F94 L121 E122 I126 P1189 | Y84-I124 HydrophobicContact CD1-CD1 4.11Å; Y84-I124 HydrophobicContact CD1-CG2 4.24Å; Y84-I124 HydrophobicContact CE1-CB 4.02Å; Y84-I124 HydrophobicContact CE1-CD1 4.13Å; Y84-I124 HydrophobicContact CE1-CG2 3.62Å; Y84-I124 HydrophobicContact CG-CD1 4.3Å; F94-I124 HydrophobicContact CE2-CD1 4Å; F94-I124 HydrophobicContact CZ-CD1 4.1Å; L121-I124 HydrophobicContact CD2-CD1 4.06Å; L121-I124 CarbonylContact O-C 3.45Å; L121-I124 WeakPolarHBondContact O-CG1 3.5Å; L121-I124 PolarHBondContact O-N 3.03Å; E122-I124 PolarHBondContact O-N 3.27Å; I124-I126 VanDerWaalsContact C-N 3.26Å; I124-I126 HydrophobicContact CD1-CD1 3.59Å; I124-I126 HydrophobicContact CD1-CG1 4.18Å; I124-I126 HydrophobicContact CG1-CB 4.44Å; I124-I126 HydrophobicContact CG1-CD1 4.01Å; I124-I126 HydrophobicContact CG1-CG1 4.02Å; I124-I126 PolarHBondContact O-N 2.97Å; I124-P1189 VanDerWaalsContact O-CD 3.27Å; I124-P1189 WeakPolarHBondContact O-CD 3.08Å |
| 125 | N | 84.1 | Confident | 84.1 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 22.3 | 178.3 | -60.5 | -31.7 | 0 | 0 | 0 | 115.3 | E122 N1186 | E122-N125 WeakPolarHBondContact O-CA 3.33Å; E122-N125 PolarHBondContact O-N 3.39Å; N125-N1186 WeakPolarHBondContact CB-OD1 3.47Å; N125-N1186 PolarHBondContact O-ND2 3.16Å; N125-N1186 VanDerWaalsContact O-ND2 3.16Å; N125-N1186 PolarHBondContact O-OD1 2.6Å |
| 126 | I | 85 | Confident | 83.6 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -95.8 | 96.4 | 174.4 | -60.2 | -179.2 | 0 | 0 | 0 | 109.5 | L49 L121 I124 I128 F133 P1189 F1190 | L49-I126 HydrophobicContact CD2-CD1 4.1Å; L49-I126 HydrophobicContact CD2-CG2 4.22Å; L121-I126 HydrophobicContact CB-CB 4.36Å; L121-I126 HydrophobicContact CD2-CD1 4.43Å; L121-I126 WeakPolarHBondContact O-CB 3.41Å; L121-I126 PolarHBondContact O-N 3.44Å; I124-I126 VanDerWaalsContact C-N 3.26Å; I124-I126 HydrophobicContact CD1-CD1 3.59Å; I124-I126 HydrophobicContact CD1-CG1 4.18Å; I124-I126 HydrophobicContact CG1-CB 4.44Å; I124-I126 HydrophobicContact CG1-CD1 4.01Å; I124-I126 HydrophobicContact CG1-CG1 4.02Å; I124-I126 PolarHBondContact O-N 2.97Å; I126-I128 PolarHBondContact O-N 3.4Å; I126-F133 HydrophobicContact CG2-CD1 4.47Å; I126-F133 HydrophobicContact CG2-CE1 3.64Å; I126-F133 HydrophobicContact CG2-CE2 4.09Å; I126-F133 HydrophobicContact CG2-CZ 3.43Å; I126-F133 VanDerWaalsContact CG2-CZ 3.43Å; I126-P1189 HydrophobicContact CD1-CG 3.94Å; I126-P1189 HydrophobicContact CG1-CG 3.9Å; I126-F1190 HydrophobicContact CD1-CE1 3.58Å; I126-F1190 HydrophobicContact CD1-CZ 3.81Å | ||
| 127 | F | 81.2 | Confident | 82.9 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | trans | -89.9 | 94.1 | 175.3 | -58.6 | -39.7 | 0 | 0 | 0 | 111.3 | E122 R129 A130 N1186 | E122-F127 HydrophobicContact CB-CD1 4.22Å; E122-F127 HydrophobicContact CB-CE1 4Å; E122-F127 HydrophobicContact CG-CD1 3.89Å; E122-F127 HydrophobicContact CG-CE1 4.15Å; F127-R129 PolarHBondContact O-N 3.08Å; F127-R129 VanDerWaalsContact O-N 3.14Å; F127-A130 HydrophobicContact CB-CB 4.17Å; F127-A130 PolarHBondContact O-N 3.36Å; F127-A130 VanDerWaalsContact O-N 3.13Å; F127-N1186 HydrophobicContact CD2-CB 4.26Å; F127-N1186 WeakPolarHBondContact CD2-ND2 3.46Å; F127-N1186 HydrophobicContact CE2-CB 4.12Å; F127-N1186 WeakPolarHBondContact CE2-ND2 3.39Å; F127-N1186 WeakPolarHBondContact CE2-OD1 3.46Å | ||
| 128 | I | 78.9 | Confident | 82 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -35.5 | -176.8 | -48.9 | 162.6 | 0 | 0 | 0 | 111.7 | L49 V118 L121 I126 | L49-I128 WeakPolarHBondContact O-CD1 3.23Å; L49-I128 WeakPolarHBondContact O-CG1 3.32Å; V118-I128 HydrophobicContact CB-CD1 4.28Å; V118-I128 HydrophobicContact CG1-CD1 4.05Å; V118-I128 HydrophobicContact CG2-CD1 3.7Å; L121-I128 HydrophobicContact CD1-CD1 3.77Å; L121-I128 HydrophobicContact CD1-CG1 4.27Å; I126-I128 PolarHBondContact O-N 3.4Å |
| 129 | R | 73.6 | Confident | 81.3 | Confident | 199 Ų | 199 | 49.5 Ų | 49.5 | 75% | 0.751 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -39.8 | -178.8 | -67.8 | -173.8 | -178.8 | -178 | 2.9 | 112.9 | F127 R131 | F127-R129 PolarHBondContact O-N 3.08Å; F127-R129 VanDerWaalsContact O-N 3.14Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 3.1Å |
| 130 | A | 70.1 | Confident | 80.8 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -23.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | F127 N132 L154 I158 | F127-A130 HydrophobicContact CB-CB 4.17Å; F127-A130 PolarHBondContact O-N 3.36Å; F127-A130 VanDerWaalsContact O-N 3.13Å; A130-N132 PolarHBondContact O-N 2.82Å; A130-N132 VanDerWaalsContact O-N 3.07Å; A130-L154 WeakPolarHBondContact O-CD1 3.3Å; A130-I158 HydrophobicContact CB-CG1 3.78Å |
| 131 | R | 74.2 | Confident | 80.2 | Confident | 111 Ų | 111 | 47.2 Ų | 47.2 | 42% | 0.419 | 24% | 0.238 | S | C | . | . | trans | 50.1 | 32.7 | -179.9 | -55.2 | -170.7 | -172.2 | 163.3 | 17.4 | 114.4 | E51 N55 R129 F133 | E51-R131 WeakPolarHBondContact OE1-CG 3.25Å; E51-R131 IonicContact OE1-NE 2.68Å; E51-R131 PolarHBondContact OE1-NE 3.35Å; E51-R131 IonicContact OE2-NE 2.66Å; N55-R131 PolarHBondContact ND2-NH1 2.91Å; N55-R131 PolarHBondContact ND2-NH2 3.42Å; N55-R131 PolarHBondContact OD1-NH1 2.78Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 3.1Å; R131-F133 VanDerWaalsContact C-N 3.34Å; R131-F133 PolarHBondContact O-N 3.41Å | ||
| 132 | N | 76.1 | Confident | 79.7 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | trans | -84.9 | -4.2 | -174 | 66 | -35.4 | 0 | 0 | 0 | 113.9 | A130 I1182 F1191 | A130-N132 PolarHBondContact O-N 2.82Å; A130-N132 VanDerWaalsContact O-N 3.07Å; N132-I1182 HydrophobicContact CB-CG2 3.78Å; N132-I1182 WeakPolarHBondContact ND2-CG2 3.47Å; N132-F1191 WeakPolarHBondContact O-CE2 3.33Å; N132-F1191 WeakPolarHBondContact O-CZ 3.09Å | ||
| 133 | F | 80 | Confident | 79.5 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -120 | -1.8 | -176.4 | 60.4 | -93.4 | 0 | 0 | 0 | 114.4 | L49 I126 R131 A1188 F1191 V1192 | L49-F133 HydrophobicContact CD1-CD2 4.38Å; L49-F133 HydrophobicContact CD1-CE2 3.45Å; L49-F133 VanDerWaalsContact CD1-CE2 3.45Å; L49-F133 HydrophobicContact CD1-CZ 4.13Å; I126-F133 HydrophobicContact CG2-CD1 4.47Å; I126-F133 HydrophobicContact CG2-CE1 3.64Å; I126-F133 HydrophobicContact CG2-CE2 4.09Å; I126-F133 HydrophobicContact CG2-CZ 3.43Å; I126-F133 VanDerWaalsContact CG2-CZ 3.43Å; R131-F133 VanDerWaalsContact C-N 3.34Å; R131-F133 PolarHBondContact O-N 3.41Å; F133-A1188 HydrophobicContact CB-CB 3.93Å; F133-A1188 HydrophobicContact CD1-CB 4.47Å; F133-A1188 HydrophobicContact CG-CB 4.41Å; F133-F1191 HydrophobicContact CB-CD2 4.05Å; F133-F1191 HydrophobicContact CB-CE2 4.15Å; F133-V1192 PolarHBondContact O-N 3Å |
| 134 | L | 83.6 | Confident | 79.1 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.2 | 177.4 | -71.9 | 165.8 | 0 | 0 | 0 | 109.4 | M42 I45 L49 V1192 | M42-L134 HydrophobicContact CE-CB 4.42Å; M42-L134 HydrophobicContact CE-CD2 4.45Å; I45-L134 HydrophobicContact CG2-CD2 4.04Å; L49-L134 HydrophobicContact CD1-CD1 4.34Å; L134-V1192 HydrophobicContact CD2-CB 4.03Å; L134-V1192 HydrophobicContact CD2-CG2 4.15Å |
| 135 | V | 83.8 | Confident | 79 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.036 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 106.3 | 178.6 | -168.4 | 0 | 0 | 0 | 0 | 110 | M42 V140 L1179 F1191 V1192 L1193 D1194 | M42-V135 WeakPolarHBondContact CE-O 3.47Å; V135-V140 HydrophobicContact CG1-CB 4.08Å; V135-V140 HydrophobicContact CG1-CG2 3.36Å; V135-L1179 HydrophobicContact CG2-CD1 3.53Å; V135-F1191 HydrophobicContact CG2-CE1 3.94Å; V135-V1192 PolarHBondContact N-O 2.91Å; V135-L1193 HydrophobicContact CB-CD2 4.01Å; V135-L1193 HydrophobicContact CG2-CD2 3.67Å; V135-D1194 WeakPolarHBondContact O-CB 3.3Å; V135-D1194 PolarHBondContact O-N 2.82Å |
| 136 | F | 82.1 | Confident | 79.1 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 21% | 0.206 | 23% | 0.229 | C | C | . | . | trans | -74.4 | 156.8 | -178.2 | -65.1 | -84.3 | 0 | 0 | 0 | 111.7 | M42 G138 A139 | M42-F136 HydrophobicContact CE-CB 4.33Å; M42-F136 HydrophobicContact CE-CD1 3.72Å; M42-F136 HydrophobicContact CE-CD2 4.46Å; M42-F136 HydrophobicContact CE-CE1 4.09Å; M42-F136 HydrophobicContact CE-CG 3.93Å; M42-F136 HydrophobicContact CG-CE1 4.49Å; M42-F136 HydrophobicContact SD-CB 4.37Å; M42-F136 HydrophobicContact SD-CD1 3.4Å; M42-F136 WeakPolarHBondContact SD-CD1 3.33Å; M42-F136 HydrophobicContact SD-CE1 3.9Å; M42-F136 HydrophobicContact SD-CG 4.08Å; F136-G138 PolarHBondContact O-N 3.42Å; F136-A139 HydrophobicContact CB-CB 3.98Å; F136-A139 WeakPolarHBondContact O-CB 3.33Å; F136-A139 PolarHBondContact O-N 3.06Å | ||
| 137 | Q | 77.1 | Confident | 79.3 | Confident | 104 Ų | 104 | 48 Ų | 48 | 49% | 0.486 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.1 | 122.4 | 170.6 | -171.2 | -176.8 | 16.1 | 0 | 0 | 111.3 | A139 D1194 E1195 | Q137-A139 PolarHBondContact O-N 2.74Å; Q137-D1194 PolarHBondContact N-OD2 2.94Å; Q137-E1195 VanDerWaalsContact CD-OE2 3.26Å; Q137-E1195 HydrophobicContact CG-CB 4.36Å; Q137-E1195 WeakPolarHBondContact CG-OE2 3.36Å; Q137-E1195 PolarHBondContact NE2-OE2 2.93Å |
| 138 | G | 73.8 | Confident | 79.7 | Confident | 65 Ų | 65 | 48.8 Ų | 48.8 | 67% | 0.67 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -1.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | F136 | F136-G138 PolarHBondContact O-N 3.42Š|
| 139 | A | 75.3 | Confident | 80.3 | Confident | 27 Ų | 27 | 55.1 Ų | 55.1 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -8.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F136 Q137 S142 V143 | F136-A139 HydrophobicContact CB-CB 3.98Å; F136-A139 WeakPolarHBondContact O-CB 3.33Å; F136-A139 PolarHBondContact O-N 3.06Å; Q137-A139 PolarHBondContact O-N 2.74Å; A139-S142 PolarHBondContact O-N 3.26Å; A139-S142 PolarHBondContact O-OG 3.09Å; A139-V143 PolarHBondContact O-N 3.39Å |
| 140 | V | 79.1 | Confident | 81 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -52.4 | 179.8 | -170.1 | 0 | 0 | 0 | 0 | 110.4 | V135 S142 V143 T1172 A1175 L1176 V1196 | V135-V140 HydrophobicContact CG1-CB 4.08Å; V135-V140 HydrophobicContact CG1-CG2 3.36Å; V140-S142 PolarHBondContact O-N 3.41Å; V140-V143 PolarHBondContact O-N 2.91Å; V140-T1172 HydrophobicContact CG1-CG2 3.88Å; V140-A1175 HydrophobicContact CG1-CB 3.82Å; V140-A1175 WeakPolarHBondContact O-CB 3.38Å; V140-L1176 HydrophobicContact CG1-CG 4.46Å; V140-V1196 HydrophobicContact CG2-CB 4.17Å; V140-V1196 HydrophobicContact CG2-CG1 3.62Å |
| 141 | E | 77.2 | Confident | 81.9 | Confident | 70 Ų | 70 | 50.2 Ų | 50.2 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.2 | -30.6 | -179.1 | -61.2 | -176.3 | 173.8 | 0 | 0 | 112.1 | V143 A144 L145 | E141-V143 VanDerWaalsContact C-N 3.3Å; E141-V143 PolarHBondContact O-N 3.19Å; E141-A144 PolarHBondContact O-N 3.04Å; E141-L145 WeakPolarHBondContact O-CB 3.2Å; E141-L145 WeakPolarHBondContact O-CG 3.43Å; E141-L145 PolarHBondContact O-N 2.98Å |
| 142 | S | 80 | Confident | 82.8 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 43% | 0.434 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72 | -23 | -179.5 | 74.3 | 0 | 0 | 0 | 0 | 113.2 | A139 V140 L145 K146 | A139-S142 PolarHBondContact O-N 3.26Å; A139-S142 PolarHBondContact O-OG 3.09Å; V140-S142 PolarHBondContact O-N 3.41Å; S142-L145 CarbonylContact O-C 3.47Å; S142-L145 PolarHBondContact O-N 2.61Å; S142-K146 WeakPolarHBondContact O-CG 3.34Å; S142-K146 PolarHBondContact O-N 3.38Å; S142-K146 VanDerWaalsContact O-N 3.15Å |
| 143 | V | 81.4 | Confident | 83.4 | Confident | 22 Ų | 22 | 50 Ų | 50 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -43 | 172.9 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | A139 V140 E141 A1175 L1178 L1179 | A139-V143 PolarHBondContact O-N 3.39Å; V140-V143 PolarHBondContact O-N 2.91Å; E141-V143 VanDerWaalsContact C-N 3.3Å; E141-V143 PolarHBondContact O-N 3.19Å; V143-A1175 HydrophobicContact CB-CB 4.3Å; V143-L1178 HydrophobicContact CG1-CD2 4.14Å; V143-L1179 HydrophobicContact CG1-CD2 4.32Å; V143-L1179 HydrophobicContact CG1-CG 4.35Å |
| 144 | A | 78.3 | Confident | 83.7 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | E141 K146 L1163 A1175 | E141-A144 PolarHBondContact O-N 3.04Å; A144-K146 PolarHBondContact O-N 3.49Å; A144-K146 VanDerWaalsContact O-N 3.16Å; A144-L1163 VanDerWaalsContact C-CD2 3.45Å; A144-L1163 HydrophobicContact CB-CD2 3.81Å; A144-L1163 WeakPolarHBondContact O-CD2 3.4Å; A144-A1175 HydrophobicContact CB-CB 3.96Å |
| 145 | L | 83.6 | Confident | 84 | Confident | 75 Ų | 75 | 50 Ų | 50 | 39% | 0.393 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 12 | -176.7 | -63.7 | 170.3 | 0 | 0 | 0 | 115 | E141 S142 T147 E1164 K1171 | E141-L145 WeakPolarHBondContact O-CB 3.2Å; E141-L145 WeakPolarHBondContact O-CG 3.43Å; E141-L145 PolarHBondContact O-N 2.98Å; S142-L145 CarbonylContact O-C 3.47Å; S142-L145 PolarHBondContact O-N 2.61Å; L145-T147 PolarHBondContact O-N 3Å; L145-E1164 HydrophobicContact CD2-CG 4.21Å; L145-K1171 HydrophobicContact CD1-CD 4.49Å; L145-K1171 HydrophobicContact CD2-CD 4.36Å |
| 146 | K | 85.8 | Confident | 84.3 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | trans | -59.7 | 137.6 | 173.1 | -77.6 | -167.6 | 175.4 | -169.8 | 0 | 109.7 | S142 A144 E150 L151 L154 | S142-K146 WeakPolarHBondContact O-CG 3.34Å; S142-K146 PolarHBondContact O-N 3.38Å; S142-K146 VanDerWaalsContact O-N 3.15Å; A144-K146 PolarHBondContact O-N 3.49Å; A144-K146 VanDerWaalsContact O-N 3.16Å; K146-E150 HydrophobicContact CB-CB 4.09Å; K146-E150 HydrophobicContact CD-CB 4.27Å; K146-E150 HydrophobicContact CG-CB 4.33Å; K146-L151 HydrophobicContact CB-CB 4.42Å; K146-L154 HydrophobicContact CD-CD2 4.5Å | ||
| 147 | T | 89.7 | Confident | 84.6 | Confident | 71 Ų | 71 | 52 Ų | 52 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | trans | -61.5 | 154.7 | 171.3 | 60.8 | 0 | 0 | 0 | 0 | 110 | L145 K149 E150 L151 | L145-T147 PolarHBondContact O-N 3Å; T147-K149 PolarHBondContact O-N 2.88Å; T147-E150 PolarHBondContact N-OE2 2.91Å; T147-E150 PolarHBondContact O-N 2.86Å; T147-E150 WeakPolarHBondContact OG1-CB 3.27Å; T147-E150 WeakPolarHBondContact OG1-CG 3.46Å; T147-E150 PolarHBondContact OG1-N 3.27Å; T147-E150 PolarHBondContact OG1-OE2 3.42Å; T147-L151 PolarHBondContact O-N 3.24Å | ||
| 148 | P | 90 | Very high | 85 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 31% | 0.312 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -53.7 | -32 | -179.4 | -29.9 | 36.7 | 0 | 0 | 0 | 114.1 | T152 I1149 M1150 | P148-T152 WeakPolarHBondContact O-CB 3.38Å; P148-T152 PolarHBondContact O-N 2.93Å; P148-T152 PolarHBondContact O-OG1 3.18Å; P148-I1149 VanDerWaalsContact CA-O 3.3Å; P148-I1149 WeakPolarHBondContact CA-O 3.26Å; P148-I1149 WeakPolarHBondContact CB-O 3.19Å; P148-I1149 PolarHBondContact O-N 3.41Å; P148-I1149 VanDerWaalsContact O-N 3.14Å; P148-M1150 HydrophobicContact CB-SD 4Å; P148-M1150 HydrophobicContact CG-SD 3.34Å; P148-M1150 WeakPolarHBondContact CG-SD 3.36Å |
| 149 | K | 90.9 | Very high | 85.7 | Confident | 152 Ų | 152 | 44.4 Ų | 44.4 | 66% | 0.661 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -73.6 | -41.5 | 174.9 | -73.4 | -170.4 | 174.6 | -176.7 | 0 | 113.4 | T147 L151 T152 Q153 | T147-K149 PolarHBondContact O-N 2.88Å; K149-L151 VanDerWaalsContact C-N 3.29Å; K149-T152 WeakPolarHBondContact O-CB 3.18Å; K149-T152 PolarHBondContact O-N 3.16Å; K149-Q153 PolarHBondContact O-N 3Å |
| 150 | E | 89.6 | Confident | 86.3 | Confident | 95 Ų | 95 | 47.1 Ų | 47.1 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.6 | -33.5 | 175.7 | -71.7 | 166 | 152 | 0 | 0 | 111.6 | K146 T147 Q153 L154 | K146-E150 HydrophobicContact CB-CB 4.09Å; K146-E150 HydrophobicContact CD-CB 4.27Å; K146-E150 HydrophobicContact CG-CB 4.33Å; T147-E150 PolarHBondContact N-OE2 2.91Å; T147-E150 PolarHBondContact O-N 2.86Å; T147-E150 WeakPolarHBondContact OG1-CB 3.27Å; T147-E150 WeakPolarHBondContact OG1-CG 3.46Å; T147-E150 PolarHBondContact OG1-N 3.27Å; T147-E150 PolarHBondContact OG1-OE2 3.42Å; E150-Q153 PolarHBondContact O-N 3.02Å; E150-L154 PolarHBondContact O-N 3.12Å |
| 151 | L | 88.8 | Confident | 86.9 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 171.9 | -171 | 62.9 | 0 | 0 | 0 | 110.5 | K146 T147 K149 Q153 L154 F155 L1136 I1149 L1178 | K146-L151 HydrophobicContact CB-CB 4.42Å; T147-L151 PolarHBondContact O-N 3.24Å; K149-L151 VanDerWaalsContact C-N 3.29Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 3.23Å; L151-L154 HydrophobicContact CD1-CD2 4.21Å; L151-L154 VanDerWaalsContact O-CB 3.31Å; L151-L154 WeakPolarHBondContact O-CB 3.49Å; L151-L154 PolarHBondContact O-N 3.33Å; L151-L154 VanDerWaalsContact O-N 3.09Å; L151-F155 HydrophobicContact CD1-CD2 4.36Å; L151-F155 HydrophobicContact CD1-CE2 4.07Å; L151-F155 HydrophobicContact CG-CD2 4.16Å; L151-F155 HydrophobicContact CG-CE2 4.05Å; L151-F155 WeakPolarHBondContact O-CD2 3.19Å; L151-F155 PolarHBondContact O-N 3.41Å; L151-L1136 HydrophobicContact CD2-CD2 4.16Å; L151-I1149 HydrophobicContact CD2-CB 4.15Å; L151-I1149 HydrophobicContact CD2-CG2 3.86Å; L151-I1149 HydrophobicContact CG-CB 4.43Å; L151-L1178 HydrophobicContact CD1-CD2 3.9Å |
| 152 | T | 91.7 | Very high | 87.4 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -42.7 | 173.7 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | P148 K149 L154 F155 E156 F1091 E1147 I1149 | P148-T152 WeakPolarHBondContact O-CB 3.38Å; P148-T152 PolarHBondContact O-N 2.93Å; P148-T152 PolarHBondContact O-OG1 3.18Å; K149-T152 WeakPolarHBondContact O-CB 3.18Å; K149-T152 PolarHBondContact O-N 3.16Å; T152-L154 VanDerWaalsContact C-N 3.32Å; T152-L154 PolarHBondContact O-N 2.81Å; T152-F155 PolarHBondContact O-N 2.98Å; T152-E156 WeakPolarHBondContact O-CG 3.49Å; T152-E156 PolarHBondContact O-N 3.33Å; T152-F1091 HydrophobicContact CG2-CE2 4.05Å; T152-F1091 HydrophobicContact CG2-CZ 4.01Å; T152-E1147 PolarHBondContact OG1-O 3.29Å; T152-I1149 PolarHBondContact OG1-N 2.87Å |
| 153 | Q | 89.6 | Confident | 87.8 | Confident | 105 Ų | 105 | 47 Ų | 47 | 49% | 0.491 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.8 | -175.1 | -179.7 | -13.2 | 0 | 0 | 111.9 | K149 E150 L151 F155 E156 E157 | K149-Q153 PolarHBondContact O-N 3Å; E150-Q153 PolarHBondContact O-N 3.02Å; L151-Q153 VanDerWaalsContact C-N 3.31Å; L151-Q153 PolarHBondContact O-N 3.23Å; Q153-F155 VanDerWaalsContact C-N 3.35Å; Q153-F155 PolarHBondContact O-N 3.43Å; Q153-E156 PolarHBondContact O-N 2.93Å; Q153-E157 PolarHBondContact NE2-OE1 3.21Å; Q153-E157 WeakPolarHBondContact O-CB 3.35Å; Q153-E157 WeakPolarHBondContact O-CG 3.48Å; Q153-E157 PolarHBondContact O-N 2.47Å |
| 154 | L | 86.8 | Confident | 88.3 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 5% | 0.052 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -46 | 174.1 | 178.8 | 66.2 | 0 | 0 | 0 | 111 | A130 K146 E150 L151 T152 E157 I158 I1182 | A130-L154 WeakPolarHBondContact O-CD1 3.3Å; K146-L154 HydrophobicContact CD-CD2 4.5Å; E150-L154 PolarHBondContact O-N 3.12Å; L151-L154 HydrophobicContact CD1-CD2 4.21Å; L151-L154 VanDerWaalsContact O-CB 3.31Å; L151-L154 WeakPolarHBondContact O-CB 3.49Å; L151-L154 PolarHBondContact O-N 3.33Å; L151-L154 VanDerWaalsContact O-N 3.09Å; T152-L154 VanDerWaalsContact C-N 3.32Å; T152-L154 PolarHBondContact O-N 2.81Å; L154-E157 PolarHBondContact O-N 3.13Å; L154-I158 HydrophobicContact CD1-CD1 3.93Å; L154-I158 HydrophobicContact CD1-CG1 4.42Å; L154-I158 HydrophobicContact CG-CD1 3.74Å; L154-I158 WeakPolarHBondContact O-CD1 3.24Å; L154-I158 VanDerWaalsContact O-CG1 3.23Å; L154-I158 WeakPolarHBondContact O-CG1 3.39Å; L154-I158 PolarHBondContact O-N 2.81Å; L154-I1182 HydrophobicContact CD2-CD1 3.94Å |
| 155 | F | 89.7 | Confident | 89 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 174.6 | -85.4 | -85 | 0 | 0 | 0 | 112.7 | L151 T152 Q153 E157 I158 S159 F1091 F1095 V1098 L1136 I1149 | L151-F155 HydrophobicContact CD1-CD2 4.36Å; L151-F155 HydrophobicContact CD1-CE2 4.07Å; L151-F155 HydrophobicContact CG-CD2 4.16Å; L151-F155 HydrophobicContact CG-CE2 4.05Å; L151-F155 WeakPolarHBondContact O-CD2 3.19Å; L151-F155 PolarHBondContact O-N 3.41Å; T152-F155 PolarHBondContact O-N 2.98Å; Q153-F155 VanDerWaalsContact C-N 3.35Å; Q153-F155 PolarHBondContact O-N 3.43Å; F155-E157 VanDerWaalsContact C-N 3.35Å; F155-I158 PolarHBondContact O-N 2.9Å; F155-S159 VanDerWaalsContact O-CB 3.22Å; F155-S159 WeakPolarHBondContact O-CB 3.01Å; F155-S159 PolarHBondContact O-N 3.26Å; F155-S159 PolarHBondContact O-OG 3.43Å; F155-F1091 HydrophobicContact CB-CE2 3.78Å; F155-F1091 HydrophobicContact CB-CZ 3.92Å; F155-F1095 HydrophobicContact CE1-CD2 4.32Å; F155-V1098 HydrophobicContact CE1-CB 3.83Å; F155-V1098 HydrophobicContact CE1-CG1 3.88Å; F155-V1098 HydrophobicContact CE1-CG2 4.02Å; F155-V1098 HydrophobicContact CZ-CB 4.18Å; F155-V1098 HydrophobicContact CZ-CG1 3.73Å; F155-L1136 HydrophobicContact CE2-CD1 4.41Å; F155-L1136 HydrophobicContact CZ-CD1 3.8Å; F155-I1149 HydrophobicContact CB-CD1 4.18Å; F155-I1149 HydrophobicContact CD2-CD1 3.6Å; F155-I1149 HydrophobicContact CE2-CD1 4.13Å; F155-I1149 HydrophobicContact CG-CD1 3.88Å |
| 156 | E | 90.6 | Very high | 89.4 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 175.3 | -73.5 | -151.8 | 101.2 | 0 | 0 | 112.6 | T152 Q153 S159 R160 S161 G162 R1087 F1091 | T152-E156 WeakPolarHBondContact O-CG 3.49Å; T152-E156 PolarHBondContact O-N 3.33Å; Q153-E156 PolarHBondContact O-N 2.93Å; E156-S159 PolarHBondContact O-OG 3.34Å; E156-R160 PolarHBondContact O-N 3.43Å; E156-R160 VanDerWaalsContact O-N 3.13Å; E156-S161 VanDerWaalsContact CA-OG 3.29Å; E156-S161 WeakPolarHBondContact CA-OG 3.18Å; E156-S161 WeakPolarHBondContact CB-OG 3.05Å; E156-S161 WeakPolarHBondContact CG-OG 3.41Å; E156-S161 PolarHBondContact O-N 2.95Å; E156-S161 VanDerWaalsContact O-N 3.12Å; E156-S161 PolarHBondContact OE1-OG 3.23Å; E156-G162 PolarHBondContact O-N 2.66Å; E156-R1087 IonicContact OE1-CZ 3.12Å; E156-R1087 IonicContact OE1-NE 2.69Å; E156-R1087 PolarHBondContact OE1-NE 3.04Å; E156-R1087 IonicContact OE1-NH2 3.69Å; E156-R1087 PolarHBondContact OE1-NH2 2.91Å; E156-R1087 IonicContact OE2-NH2 2.8Å; E156-F1091 HydrophobicContact CG-CD2 3.99Å; E156-F1091 HydrophobicContact CG-CE2 3.81Å |
| 157 | E | 87.1 | Confident | 89.7 | Confident | 77 Ų | 77 | 52 Ų | 52 | 36% | 0.36 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.6 | -41.1 | 177.7 | -73.9 | 175.1 | -171.8 | 0 | 0 | 111.6 | Q153 L154 F155 | Q153-E157 PolarHBondContact NE2-OE1 3.21Å; Q153-E157 WeakPolarHBondContact O-CB 3.35Å; Q153-E157 WeakPolarHBondContact O-CG 3.48Å; Q153-E157 PolarHBondContact O-N 2.47Å; L154-E157 PolarHBondContact O-N 3.13Å; F155-E157 VanDerWaalsContact C-N 3.35Å |
| 158 | I | 86.9 | Confident | 89.9 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -44 | 177.4 | -66.8 | 159.7 | 0 | 0 | 0 | 111.2 | A130 L154 F155 R160 I1182 F1185 | A130-I158 HydrophobicContact CB-CG1 3.78Å; L154-I158 HydrophobicContact CD1-CD1 3.93Å; L154-I158 HydrophobicContact CD1-CG1 4.42Å; L154-I158 HydrophobicContact CG-CD1 3.74Å; L154-I158 WeakPolarHBondContact O-CD1 3.24Å; L154-I158 VanDerWaalsContact O-CG1 3.23Å; L154-I158 WeakPolarHBondContact O-CG1 3.39Å; L154-I158 PolarHBondContact O-N 2.81Å; F155-I158 PolarHBondContact O-N 2.9Å; I158-R160 VanDerWaalsContact C-N 3.26Å; I158-R160 PolarHBondContact O-N 2.89Å; I158-I1182 HydrophobicContact CD1-CB 4.43Å; I158-I1182 HydrophobicContact CD1-CD1 3.87Å; I158-I1182 HydrophobicContact CD1-CG1 4.03Å; I158-I1182 HydrophobicContact CD1-CG2 3.54Å; I158-I1182 HydrophobicContact CG1-CG2 4.32Å; I158-I1182 HydrophobicContact CG2-CG2 4.48Å; I158-F1185 HydrophobicContact CG2-CD1 3.58Å; I158-F1185 HydrophobicContact CG2-CE1 4Å |
| 159 | S | 88.6 | Confident | 90 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -77.8 | -8.5 | -178.6 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | F155 E156 S161 R1090 | F155-S159 VanDerWaalsContact O-CB 3.22Å; F155-S159 WeakPolarHBondContact O-CB 3.01Å; F155-S159 PolarHBondContact O-N 3.26Å; F155-S159 PolarHBondContact O-OG 3.43Å; E156-S159 PolarHBondContact O-OG 3.34Å; S159-S161 PolarHBondContact O-N 3.37Å; S159-S161 WeakPolarHBondContact OG-CB 3.21Å; S159-S161 PolarHBondContact OG-N 3.43Å; S159-S161 PolarHBondContact OG-OG 2.84Å; S159-R1090 WeakPolarHBondContact CB-O 3.42Å |
| 160 | R | 87.1 | Confident | 90.2 | Very high | 83 Ų | 83 | 50.4 Ų | 50.4 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 22.6 | -170.1 | -53.1 | 179.9 | 176.5 | -148.9 | -10.4 | 113.3 | E122 E156 I158 G162 R1090 | E122-R160 IonicContact OE2-CZ 3.03Å; E122-R160 IonicContact OE2-NH1 3.36Å; E122-R160 IonicContact OE2-NH2 2.83Å; E122-R160 PolarHBondContact OE2-NH2 3.11Å; E156-R160 PolarHBondContact O-N 3.43Å; E156-R160 VanDerWaalsContact O-N 3.13Å; I158-R160 VanDerWaalsContact C-N 3.26Å; I158-R160 PolarHBondContact O-N 2.89Å; R160-G162 VanDerWaalsContact C-N 3.26Å; R160-R1090 PolarHBondContact O-NH1 2.64Å |
| 161 | S | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -72.2 | -25.9 | 173 | 72.3 | 0 | 0 | 0 | 0 | 111.3 | E156 S159 E163 L164 | E156-S161 VanDerWaalsContact CA-OG 3.29Å; E156-S161 WeakPolarHBondContact CA-OG 3.18Å; E156-S161 WeakPolarHBondContact CB-OG 3.05Å; E156-S161 WeakPolarHBondContact CG-OG 3.41Å; E156-S161 PolarHBondContact O-N 2.95Å; E156-S161 VanDerWaalsContact O-N 3.12Å; E156-S161 PolarHBondContact OE1-OG 3.23Å; S159-S161 PolarHBondContact O-N 3.37Å; S159-S161 WeakPolarHBondContact OG-CB 3.21Å; S159-S161 PolarHBondContact OG-N 3.43Å; S159-S161 PolarHBondContact OG-OG 2.84Å; S161-E163 PolarHBondContact O-N 2.86Å; S161-L164 PolarHBondContact O-N 3.46Å; S161-L164 VanDerWaalsContact O-N 3.11Å | ||
| 162 | G | 87.5 | Confident | 90.6 | Very high | 31 Ų | 31 | 49.5 Ų | 49.5 | 32% | 0.32 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -62.7 | -25 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E156 R160 L164 K165 | E156-G162 PolarHBondContact O-N 2.66Å; R160-G162 VanDerWaalsContact C-N 3.26Å; G162-L164 PolarHBondContact O-N 3.45Å; G162-K165 WeakPolarHBondContact O-CB 3.38Å; G162-K165 PolarHBondContact O-N 3.45Å |
| 163 | E | 89 | Confident | 90.8 | Very high | 106 Ų | 106 | 50.6 Ų | 50.6 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -65.3 | -29.8 | 175.2 | -62.7 | 174.2 | 174.1 | 0 | 0 | 112.3 | S161 K165 R1090 | S161-E163 PolarHBondContact O-N 2.86Å; E163-K165 VanDerWaalsContact C-N 3.29Å; E163-R1090 IonicContact OE2-NH1 3.73Å |
| 164 | L | 92.3 | Very high | 90.9 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -86.3 | -1.7 | 179.2 | -63.4 | 171.2 | 0 | 0 | 0 | 112.4 | S161 G162 D167 Y168 V1083 E1086 R1087 | S161-L164 PolarHBondContact O-N 3.46Å; S161-L164 VanDerWaalsContact O-N 3.11Å; G162-L164 PolarHBondContact O-N 3.45Å; L164-D167 PolarHBondContact O-N 2.82Å; L164-Y168 WeakPolarHBondContact O-CB 3.42Å; L164-Y168 PolarHBondContact O-N 3.06Å; L164-V1083 HydrophobicContact CB-CG1 4.44Å; L164-E1086 HydrophobicContact CD1-CB 4.04Å; L164-E1086 HydrophobicContact CD1-CG 3.76Å; L164-R1087 HydrophobicContact CB-CB 4.19Å; L164-R1087 HydrophobicContact CB-CG 4.33Å; L164-R1087 HydrophobicContact CD1-CB 4.11Å |
| 165 | K | 92.3 | Very high | 91.3 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.2 | -48.2 | -177.7 | -176.8 | 177.8 | 176.1 | 175.8 | 0 | 111.9 | G162 E163 D167 Y168 E169 | G162-K165 WeakPolarHBondContact O-CB 3.38Å; G162-K165 PolarHBondContact O-N 3.45Å; E163-K165 VanDerWaalsContact C-N 3.29Å; K165-D167 VanDerWaalsContact C-N 3.32Å; K165-D167 PolarHBondContact O-N 3.15Å; K165-Y168 WeakPolarHBondContact O-CB 3.16Å; K165-Y168 PolarHBondContact O-N 3.44Å; K165-E169 WeakPolarHBondContact CE-OE1 3.33Å; K165-E169 WeakPolarHBondContact O-CG 3.18Å; K165-E169 PolarHBondContact O-N 3.07Å |
| 166 | D | 92.1 | Very high | 91.4 | Very high | 113 Ų | 113 | 55.2 Ų | 55.2 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.6 | -39.2 | -179.9 | -67.9 | -17 | 0 | 0 | 0 | 111.4 | R170 | D166-R170 WeakPolarHBondContact O-CB 3.47Å; D166-R170 PolarHBondContact O-N 3.07Å |
| 167 | D | 92.1 | Very high | 91.6 | Very high | 57 Ų | 57 | 62 Ų | 62 | 31% | 0.305 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 176 | -73.2 | -6.3 | 0 | 0 | 0 | 111.7 | L164 K165 R170 A171 V1083 | L164-D167 PolarHBondContact O-N 2.82Å; K165-D167 VanDerWaalsContact C-N 3.32Å; K165-D167 PolarHBondContact O-N 3.15Å; D167-R170 IonicContact OD1-CZ 3.32Å; D167-R170 IonicContact OD1-NH1 3.85Å; D167-R170 PolarHBondContact OD1-NH1 2.8Å; D167-R170 IonicContact OD1-NH2 2.71Å; D167-R170 PolarHBondContact OD1-NH2 3.29Å; D167-R170 IonicContact OD2-NH2 3.43Å; D167-A171 WeakPolarHBondContact O-CB 3.46Å; D167-A171 PolarHBondContact O-N 3.3Å; D167-V1083 HydrophobicContact CB-CG1 4.1Å |
| 168 | Y | 94.3 | Very high | 91.8 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 175 | 174.2 | -81.8 | 0 | 0 | 0 | 110.5 | L164 K165 A171 K172 F1080 K1084 E1143 Y1145 L1146 | L164-Y168 WeakPolarHBondContact O-CB 3.42Å; L164-Y168 PolarHBondContact O-N 3.06Å; K165-Y168 WeakPolarHBondContact O-CB 3.16Å; K165-Y168 PolarHBondContact O-N 3.44Å; Y168-A171 PolarHBondContact O-N 3.25Å; Y168-K172 HydrophobicContact CE1-CD 3.83Å; Y168-K172 WeakPolarHBondContact O-CB 3.12Å; Y168-K172 PolarHBondContact O-N 2.97Å; Y168-F1080 AromaticContact CD2-CE2 3.83Å; Y168-F1080 HydrophobicContact CD2-CE2 3.83Å; Y168-F1080 HydrophobicContact CE1-CE2 4.22Å; Y168-F1080 AromaticContact CE2-CE2 3.5Å; Y168-F1080 HydrophobicContact CE2-CE2 3.5Å; Y168-F1080 VanDerWaalsContact CE2-CE2 3.5Å; Y168-F1080 AromaticContact CE2-CZ 3.8Å; Y168-F1080 HydrophobicContact CE2-CZ 3.8Å; Y168-F1080 HydrophobicContact CG-CE2 4.34Å; Y168-F1080 AromaticContact CZ-CE2 3.69Å; Y168-F1080 AromaticContact CZ-CZ 3.9Å; Y168-K1084 HydrophobicContact CD2-CB 4.36Å; Y168-K1084 HydrophobicContact CE2-CB 4.14Å; Y168-K1084 HydrophobicContact CE2-CG 4.36Å; Y168-E1143 PolarHBondContact OH-OE2 3.32Å; Y168-Y1145 HydrophobicContact CE2-CE2 4.13Å; Y168-L1146 HydrophobicContact CE1-CD2 4.49Å |
| 169 | E | 92.8 | Very high | 92 | Very high | 103 Ų | 103 | 62.6 Ų | 62.6 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 179.8 | -72.4 | -179.5 | -169.9 | 0 | 0 | 111.3 | K165 K172 A173 | K165-E169 WeakPolarHBondContact CE-OE1 3.33Å; K165-E169 WeakPolarHBondContact O-CG 3.18Å; K165-E169 PolarHBondContact O-N 3.07Å; E169-K172 PolarHBondContact O-N 2.68Å; E169-A173 VanDerWaalsContact O-CB 3.32Å; E169-A173 WeakPolarHBondContact O-CB 3.09Å; E169-A173 PolarHBondContact O-N 3.45Å |
| 170 | R | 94.3 | Very high | 92.2 | Very high | 130 Ų | 130 | 67.9 Ų | 67.9 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 175.7 | -173.5 | 173.4 | 68.5 | -119.2 | 0.9 | 111.8 | D166 D167 K172 A173 E174 | D166-R170 WeakPolarHBondContact O-CB 3.47Å; D166-R170 PolarHBondContact O-N 3.07Å; D167-R170 IonicContact OD1-CZ 3.32Å; D167-R170 IonicContact OD1-NH1 3.85Å; D167-R170 PolarHBondContact OD1-NH1 2.8Å; D167-R170 IonicContact OD1-NH2 2.71Å; D167-R170 PolarHBondContact OD1-NH2 3.29Å; D167-R170 IonicContact OD2-NH2 3.43Å; R170-K172 PolarHBondContact O-N 3.35Å; R170-A173 PolarHBondContact O-N 3.37Å; R170-E174 WeakPolarHBondContact O-CB 3.21Å; R170-E174 WeakPolarHBondContact O-CG 3.38Å; R170-E174 PolarHBondContact O-N 3.48Å |
| 171 | A | 93.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 66.9 Ų | 66.9 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D167 Y168 E174 M175 F1080 | D167-A171 WeakPolarHBondContact O-CB 3.46Å; D167-A171 PolarHBondContact O-N 3.3Å; Y168-A171 PolarHBondContact O-N 3.25Å; A171-E174 PolarHBondContact O-N 3.4Å; A171-M175 WeakPolarHBondContact O-CB 3.32Å; A171-M175 PolarHBondContact O-N 3.36Å; A171-F1080 HydrophobicContact CB-CB 4.11Å; A171-F1080 HydrophobicContact CB-CD2 4.28Å |
| 172 | K | 94 | Very high | 92.4 | Very high | 72 Ų | 72 | 68 Ų | 68 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 175 | -170.2 | 172.3 | -176.7 | 169 | 0 | 111.5 | Y168 E169 R170 M175 M176 F1080 | Y168-K172 HydrophobicContact CE1-CD 3.83Å; Y168-K172 WeakPolarHBondContact O-CB 3.12Å; Y168-K172 PolarHBondContact O-N 2.97Å; E169-K172 PolarHBondContact O-N 2.68Å; R170-K172 PolarHBondContact O-N 3.35Å; K172-M175 PolarHBondContact O-N 3.36Å; K172-M176 HydrophobicContact CG-CE 4.45Å; K172-M176 WeakPolarHBondContact O-CG 3.44Å; K172-M176 PolarHBondContact O-N 3.19Å; K172-F1080 HydrophobicContact CB-CD2 3.8Å; K172-F1080 HydrophobicContact CB-CE2 3.61Å; K172-F1080 HydrophobicContact CB-CZ 4.44Å; K172-F1080 HydrophobicContact CD-CE2 4.14Å; K172-F1080 HydrophobicContact CD-CZ 4.35Å; K172-F1080 HydrophobicContact CG-CD2 4.45Å; K172-F1080 HydrophobicContact CG-CE2 3.93Å; K172-F1080 HydrophobicContact CG-CZ 4.29Å |
| 173 | A | 94.4 | Very high | 92.5 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 22% | 0.223 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E169 R170 R177 | E169-A173 VanDerWaalsContact O-CB 3.32Å; E169-A173 WeakPolarHBondContact O-CB 3.09Å; E169-A173 PolarHBondContact O-N 3.45Å; R170-A173 PolarHBondContact O-N 3.37Å; A173-R177 WeakPolarHBondContact O-CB 3.4Å; A173-R177 VanDerWaalsContact O-CG 3.28Å; A173-R177 WeakPolarHBondContact O-CG 3.29Å; A173-R177 PolarHBondContact O-N 3.27Å |
| 174 | E | 93 | Very high | 92.6 | Very high | 96 Ų | 96 | 72.2 Ų | 72.2 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 174.5 | -76.5 | -177.9 | -175 | 0 | 0 | 112.7 | R170 A171 A178 | R170-E174 WeakPolarHBondContact O-CB 3.21Å; R170-E174 WeakPolarHBondContact O-CG 3.38Å; R170-E174 PolarHBondContact O-N 3.48Å; A171-E174 PolarHBondContact O-N 3.4Å; E174-A178 VanDerWaalsContact O-CB 3.28Å; E174-A178 WeakPolarHBondContact O-CB 3.33Å; E174-A178 PolarHBondContact O-N 3.41Å |
| 175 | M | 94.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 71.8 Ų | 71.8 | 12% | 0.123 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.2 | -52.7 | 174.6 | -177.2 | -167.4 | 77.5 | 0 | 0 | 110.9 | A171 K172 R177 A178 E179 A1076 K1077 F1080 | A171-M175 WeakPolarHBondContact O-CB 3.32Å; A171-M175 PolarHBondContact O-N 3.36Å; K172-M175 PolarHBondContact O-N 3.36Å; M175-R177 PolarHBondContact O-N 3.14Å; M175-A178 PolarHBondContact O-N 3.31Å; M175-A178 VanDerWaalsContact O-N 3.13Å; M175-E179 WeakPolarHBondContact O-CG 3.49Å; M175-E179 PolarHBondContact O-N 3.46Å; M175-A1076 HydrophobicContact CB-CB 4.32Å; M175-K1077 HydrophobicContact CG-CB 4.2Å; M175-K1077 HydrophobicContact SD-CB 4.29Å; M175-K1077 HydrophobicContact SD-CG 4.21Å; M175-F1080 HydrophobicContact CB-CB 4.48Å; M175-F1080 HydrophobicContact CE-CD1 4.22Å; M175-F1080 HydrophobicContact CE-CE1 4.4Å; M175-F1080 HydrophobicContact SD-CB 4.2Å; M175-F1080 HydrophobicContact SD-CD1 3.6Å; M175-F1080 VanDerWaalsContact SD-CD1 3.6Å; M175-F1080 HydrophobicContact SD-CE1 4.3Å; M175-F1080 HydrophobicContact SD-CG 4.07Å |
| 176 | M | 92.8 | Very high | 92.4 | Very high | 91 Ų | 91 | 73.9 Ų | 73.9 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 179.5 | -70.4 | -163.9 | -64.8 | 0 | 0 | 111.9 | K172 A178 E179 E180 | K172-M176 HydrophobicContact CG-CE 4.45Å; K172-M176 WeakPolarHBondContact O-CG 3.44Å; K172-M176 PolarHBondContact O-N 3.19Å; M176-A178 VanDerWaalsContact C-N 3.28Å; M176-A178 PolarHBondContact O-N 3Å; M176-E179 PolarHBondContact O-N 3.15Å; M176-E180 WeakPolarHBondContact O-CG 3.43Å; M176-E180 PolarHBondContact O-N 3.39Å |
| 177 | R | 93.2 | Very high | 92.2 | Very high | 162 Ų | 162 | 73.9 Ų | 73.9 | 61% | 0.611 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.5 | -38.1 | 175.6 | -74.1 | -177.4 | -131.8 | 151.4 | 2.1 | 112.5 | A173 M175 N181 | A173-R177 WeakPolarHBondContact O-CB 3.4Å; A173-R177 VanDerWaalsContact O-CG 3.28Å; A173-R177 WeakPolarHBondContact O-CG 3.29Å; A173-R177 PolarHBondContact O-N 3.27Å; M175-R177 PolarHBondContact O-N 3.14Å; R177-N181 VanDerWaalsContact O-CB 3.29Å; R177-N181 WeakPolarHBondContact O-CB 3.21Å; R177-N181 PolarHBondContact O-N 3.3Å; R177-N181 VanDerWaalsContact O-N 3.09Å |
| 178 | A | 92.7 | Very high | 92.1 | Very high | 6 Ų | 6 | 76.6 Ų | 76.6 | 5% | 0.05 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -72.5 | -36.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E174 M175 M176 T182 K1072 A1073 A1076 | E174-A178 VanDerWaalsContact O-CB 3.28Å; E174-A178 WeakPolarHBondContact O-CB 3.33Å; E174-A178 PolarHBondContact O-N 3.41Å; M175-A178 PolarHBondContact O-N 3.31Å; M175-A178 VanDerWaalsContact O-N 3.13Å; M176-A178 VanDerWaalsContact C-N 3.28Å; M176-A178 PolarHBondContact O-N 3Å; A178-T182 WeakPolarHBondContact O-CB 3.39Å; A178-T182 PolarHBondContact O-N 2.86Å; A178-T182 PolarHBondContact O-OG1 3.4Å; A178-K1072 HydrophobicContact CB-CG 4.46Å; A178-A1073 HydrophobicContact CB-CB 3.94Å; A178-A1076 HydrophobicContact CB-CB 4.36Å |
| 179 | E | 90.2 | Very high | 91.9 | Very high | 85 Ų | 85 | 78.6 Ų | 78.6 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 174.3 | -73.4 | -178.4 | 159.6 | 0 | 0 | 111.7 | M175 M176 N181 T182 Q183 | M175-E179 WeakPolarHBondContact O-CG 3.49Å; M175-E179 PolarHBondContact O-N 3.46Å; M176-E179 PolarHBondContact O-N 3.15Å; E179-N181 PolarHBondContact O-N 3.35Å; E179-T182 WeakPolarHBondContact O-CB 3.32Å; E179-T182 PolarHBondContact O-N 3.44Å; E179-T182 VanDerWaalsContact O-N 3.12Å; E179-Q183 PolarHBondContact O-N 3.36Å |
| 180 | E | 92.2 | Very high | 91.7 | Very high | 119 Ų | 119 | 82 Ų | 82 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -57.1 | -47 | 174.5 | -73.2 | 174.7 | 173.3 | 0 | 0 | 111.6 | M176 T182 Q183 M184 | M176-E180 WeakPolarHBondContact O-CG 3.43Å; M176-E180 PolarHBondContact O-N 3.39Å; E180-T182 VanDerWaalsContact C-N 3.3Å; E180-T182 PolarHBondContact O-N 2.93Å; E180-Q183 PolarHBondContact O-N 3.12Å; E180-M184 WeakPolarHBondContact O-CG 3.45Å; E180-M184 PolarHBondContact O-N 3.16Å |
| 181 | N | 92.1 | Very high | 91.5 | Very high | 62 Ų | 62 | 77.5 Ų | 77.5 | 33% | 0.332 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 177.4 | -166.8 | 23.9 | 0 | 0 | 0 | 112 | R177 E179 M184 N185 | R177-N181 VanDerWaalsContact O-CB 3.29Å; R177-N181 WeakPolarHBondContact O-CB 3.21Å; R177-N181 PolarHBondContact O-N 3.3Å; R177-N181 VanDerWaalsContact O-N 3.09Å; E179-N181 PolarHBondContact O-N 3.35Å; N181-M184 PolarHBondContact O-N 3.33Å; N181-N185 WeakPolarHBondContact O-CB 3.45Å; N181-N185 VanDerWaalsContact O-CG 3.31Å; N181-N185 PolarHBondContact O-N 2.88Å |
| 182 | T | 91.1 | Very high | 91.3 | Very high | 23 Ų | 23 | 78 Ų | 78 | 14% | 0.141 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 175.1 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | A178 E179 E180 N185 Y186 F1066 A1069 R1070 | A178-T182 WeakPolarHBondContact O-CB 3.39Å; A178-T182 PolarHBondContact O-N 2.86Å; A178-T182 PolarHBondContact O-OG1 3.4Å; E179-T182 WeakPolarHBondContact O-CB 3.32Å; E179-T182 PolarHBondContact O-N 3.44Å; E179-T182 VanDerWaalsContact O-N 3.12Å; E180-T182 VanDerWaalsContact C-N 3.3Å; E180-T182 PolarHBondContact O-N 2.93Å; T182-N185 PolarHBondContact O-N 3.49Å; T182-Y186 WeakPolarHBondContact O-CB 3.41Å; T182-Y186 PolarHBondContact O-N 3.46Å; T182-F1066 HydrophobicContact CG2-CD2 4.35Å; T182-F1066 HydrophobicContact CG2-CE2 3.88Å; T182-A1069 PolarHBondContact OG1-O 3.36Å; T182-R1070 HydrophobicContact CG2-CB 4.27Å |
| 183 | Q | 90 | Very high | 91 | Very high | 125 Ų | 125 | 75.8 Ų | 75.8 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.3 | -43.3 | 176.5 | -173 | 179.3 | 4.1 | 0 | 0 | 111.9 | E179 E180 Y186 Q187 | E179-Q183 PolarHBondContact O-N 3.36Å; E180-Q183 PolarHBondContact O-N 3.12Å; Q183-Y186 WeakPolarHBondContact O-CB 3.47Å; Q183-Y186 PolarHBondContact O-N 2.88Å; Q183-Q187 WeakPolarHBondContact O-CG 3.37Å; Q183-Q187 PolarHBondContact O-N 2.81Å |
| 184 | M | 90 | Very high | 90.6 | Very high | 102 Ų | 102 | 77.1 Ų | 77.1 | 50% | 0.502 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 175 | -73.8 | -160.8 | -66.2 | 0 | 0 | 111.8 | E180 N181 Y186 Q187 K188 | E180-M184 WeakPolarHBondContact O-CG 3.45Å; E180-M184 PolarHBondContact O-N 3.16Å; N181-M184 PolarHBondContact O-N 3.33Å; M184-Y186 VanDerWaalsContact C-N 3.3Å; M184-Y186 PolarHBondContact O-N 3.29Å; M184-Q187 PolarHBondContact O-N 3.47Å; M184-K188 WeakPolarHBondContact O-CG 3.43Å; M184-K188 PolarHBondContact O-N 3.37Å |
| 185 | N | 90.1 | Very high | 90.4 | Very high | 8 Ų | 8 | 76.7 Ų | 76.7 | 4% | 0.043 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -34 | 179.3 | -71.8 | -6.9 | 0 | 0 | 0 | 112.1 | N181 T182 K188 K189 E1065 F1066 | N181-N185 WeakPolarHBondContact O-CB 3.45Å; N181-N185 VanDerWaalsContact O-CG 3.31Å; N181-N185 PolarHBondContact O-N 2.88Å; T182-N185 PolarHBondContact O-N 3.49Å; N185-K188 PolarHBondContact O-N 3.08Å; N185-K189 WeakPolarHBondContact O-CB 3.24Å; N185-K189 PolarHBondContact O-N 3.32Å; N185-E1065 PolarHBondContact ND2-O 3.13Å; N185-F1066 HydrophobicContact CB-CB 4.19Å; N185-F1066 HydrophobicContact CB-CD2 4.37Å |
| 186 | Y | 90.7 | Very high | 90 | Very high | 131 Ų | 131 | 80 Ų | 80 | 51% | 0.514 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 172.4 | -179.2 | -102.5 | 0 | 0 | 0 | 112.4 | T182 Q183 M184 K189 R190 F1066 | T182-Y186 WeakPolarHBondContact O-CB 3.41Å; T182-Y186 PolarHBondContact O-N 3.46Å; Q183-Y186 WeakPolarHBondContact O-CB 3.47Å; Q183-Y186 PolarHBondContact O-N 2.88Å; M184-Y186 VanDerWaalsContact C-N 3.3Å; M184-Y186 PolarHBondContact O-N 3.29Å; Y186-K189 PolarHBondContact O-N 2.78Å; Y186-R190 PolarHBondContact O-N 3.16Å; Y186-F1066 AromaticContact CD2-CE2 3.9Å; Y186-F1066 HydrophobicContact CD2-CE2 3.9Å; Y186-F1066 HydrophobicContact CD2-CZ 4.07Å; Y186-F1066 HydrophobicContact CG-CE2 4.28Å |
| 187 | Q | 88.8 | Confident | 89.5 | Confident | 112 Ų | 112 | 84.6 Ų | 84.6 | 52% | 0.523 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 177.2 | -70.8 | -179.9 | 4.7 | 0 | 0 | 111.8 | Q183 M184 R190 G191 | Q183-Q187 WeakPolarHBondContact O-CG 3.37Å; Q183-Q187 PolarHBondContact O-N 2.81Å; M184-Q187 PolarHBondContact O-N 3.47Å; Q187-R190 PolarHBondContact O-N 3.37Å; Q187-G191 PolarHBondContact O-N 3.44Å |
| 188 | K | 90.1 | Very high | 89.1 | Confident | 115 Ų | 115 | 80 Ų | 80 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 173.3 | -70.9 | 177.9 | -179.2 | 175.4 | 0 | 111.6 | M184 N185 R190 G191 I192 T1062 | M184-K188 WeakPolarHBondContact O-CG 3.43Å; M184-K188 PolarHBondContact O-N 3.37Å; N185-K188 PolarHBondContact O-N 3.08Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 3.33Å; K188-G191 PolarHBondContact O-N 2.91Å; K188-G191 VanDerWaalsContact O-N 3.13Å; K188-I192 WeakPolarHBondContact O-CG1 3.46Å; K188-I192 PolarHBondContact O-N 3.23Å; K188-T1062 HydrophobicContact CB-CG2 3.8Å |
| 189 | K | 89.8 | Confident | 88.7 | Confident | 46 Ų | 46 | 79.7 Ų | 79.7 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.2 | -41.7 | 177 | -179.4 | 174.3 | 176 | 165.3 | 0 | 111.8 | N185 Y186 A193 F1059 T1062 S1063 F1066 | N185-K189 WeakPolarHBondContact O-CB 3.24Å; N185-K189 PolarHBondContact O-N 3.32Å; Y186-K189 PolarHBondContact O-N 2.78Å; K189-A193 VanDerWaalsContact O-CB 3.31Å; K189-A193 WeakPolarHBondContact O-CB 3.44Å; K189-A193 PolarHBondContact O-N 3.2Å; K189-F1059 HydrophobicContact CG-CE2 4.21Å; K189-T1062 HydrophobicContact CB-CG2 4Å; K189-S1063 PolarHBondContact NZ-OG 3.27Å; K189-F1066 HydrophobicContact CD-CB 4.4Å; K189-F1066 HydrophobicContact CD-CD1 4.27Å; K189-F1066 HydrophobicContact CD-CG 4.34Å |
| 190 | R | 89.1 | Confident | 88.3 | Confident | 174 Ų | 174 | 81.2 Ų | 81.2 | 66% | 0.657 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 177.3 | -164.4 | -177.9 | 76.8 | 173.3 | 3.9 | 111.9 | Y186 Q187 K188 A193 A194 | Y186-R190 PolarHBondContact O-N 3.16Å; Q187-R190 PolarHBondContact O-N 3.37Å; K188-R190 VanDerWaalsContact C-N 3.29Å; K188-R190 PolarHBondContact O-N 3.33Å; R190-A193 PolarHBondContact O-N 2.89Å; R190-A194 PolarHBondContact O-N 3.01Å |
| 191 | G | 89.4 | Confident | 87.8 | Confident | 37 Ų | 37 | 80.4 Ų | 80.4 | 38% | 0.381 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.6 | -50.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q187 K188 A193 A194 E195 | Q187-G191 PolarHBondContact O-N 3.44Å; K188-G191 PolarHBondContact O-N 2.91Å; K188-G191 VanDerWaalsContact O-N 3.13Å; G191-A193 VanDerWaalsContact C-N 3.29Å; G191-A193 PolarHBondContact O-N 3.41Å; G191-A194 WeakPolarHBondContact O-CB 3.19Å; G191-A194 PolarHBondContact O-N 2.96Å; G191-E195 PolarHBondContact O-N 2.93Å; G191-E195 VanDerWaalsContact O-N 3.07Å |
| 192 | I | 89.4 | Confident | 87.2 | Confident | 20 Ų | 20 | 79.8 Ų | 79.8 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.3 | -33.5 | 179.8 | -61.2 | 166.7 | 0 | 0 | 0 | 111.4 | K188 A194 E195 R196 V1055 R1058 F1059 T1062 | K188-I192 WeakPolarHBondContact O-CG1 3.46Å; K188-I192 PolarHBondContact O-N 3.23Å; I192-A194 VanDerWaalsContact C-N 3.28Å; I192-A194 PolarHBondContact O-N 3.15Å; I192-E195 PolarHBondContact O-N 3.21Å; I192-R196 WeakPolarHBondContact O-CB 3.3Å; I192-R196 PolarHBondContact O-N 3.29Å; I192-V1055 HydrophobicContact CG2-CG1 4.05Å; I192-R1058 HydrophobicContact CD1-CB 4.37Å; I192-R1058 HydrophobicContact CG2-CB 4.32Å; I192-F1059 HydrophobicContact CG2-CB 3.79Å; I192-F1059 HydrophobicContact CG2-CD2 4.23Å; I192-T1062 HydrophobicContact CD1-CG2 4.08Å; I192-T1062 WeakPolarHBondContact CD1-OG1 3.29Å |
| 193 | A | 86.7 | Confident | 86.7 | Confident | 26 Ų | 26 | 81.7 Ų | 81.7 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K189 R190 G191 R197 F1059 | K189-A193 VanDerWaalsContact O-CB 3.31Å; K189-A193 WeakPolarHBondContact O-CB 3.44Å; K189-A193 PolarHBondContact O-N 3.2Å; R190-A193 PolarHBondContact O-N 2.89Å; G191-A193 VanDerWaalsContact C-N 3.29Å; G191-A193 PolarHBondContact O-N 3.41Å; A193-R197 PolarHBondContact O-N 3.4Å; A193-F1059 HydrophobicContact CB-CD2 4.38Å; A193-F1059 HydrophobicContact CB-CE2 3.91Å |
| 194 | A | 87.8 | Confident | 86.1 | Confident | 55 Ų | 55 | 79.8 Ų | 79.8 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.1 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R190 G191 I192 R196 R197 V198 | R190-A194 PolarHBondContact O-N 3.01Å; G191-A194 WeakPolarHBondContact O-CB 3.19Å; G191-A194 PolarHBondContact O-N 2.96Å; I192-A194 VanDerWaalsContact C-N 3.28Å; I192-A194 PolarHBondContact O-N 3.15Å; A194-R196 VanDerWaalsContact C-N 3.25Å; A194-R196 PolarHBondContact O-N 3.26Å; A194-R197 PolarHBondContact O-N 2.72Å; A194-R197 VanDerWaalsContact O-N 3.13Å; A194-V198 PolarHBondContact O-N 3.35Å |
| 195 | E | 87.2 | Confident | 85.3 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 41% | 0.407 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -54.8 | -42.1 | 172.8 | -72.1 | -179.3 | -155.8 | 0 | 0 | 111.6 | G191 I192 R197 V198 A199 V1055 R1058 | G191-E195 PolarHBondContact O-N 2.93Å; G191-E195 VanDerWaalsContact O-N 3.07Å; I192-E195 PolarHBondContact O-N 3.21Å; E195-R197 VanDerWaalsContact C-N 3.32Å; E195-R197 PolarHBondContact O-N 3.31Å; E195-V198 PolarHBondContact O-N 3.14Å; E195-A199 WeakPolarHBondContact O-CB 3.48Å; E195-A199 PolarHBondContact O-N 3.16Å; E195-V1055 HydrophobicContact CB-CG1 3.98Å; E195-V1055 HydrophobicContact CB-CG2 4.35Å; E195-R1058 IonicContact OE2-CZ 3.56Å; E195-R1058 IonicContact OE2-NH1 2.64Å; E195-R1058 PolarHBondContact OE2-NH1 3.23Å; E195-R1058 IonicContact OE2-NH2 3.98Å |
| 196 | R | 85.9 | Confident | 84.6 | Confident | 94 Ų | 94 | 81 Ų | 81 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | -179.9 | -167.2 | -177.1 | 69.8 | -175.3 | 2.2 | 112.3 | I192 A194 K200 L1052 V1055 | I192-R196 WeakPolarHBondContact O-CB 3.3Å; I192-R196 PolarHBondContact O-N 3.29Å; A194-R196 VanDerWaalsContact C-N 3.25Å; A194-R196 PolarHBondContact O-N 3.26Å; R196-K200 WeakPolarHBondContact O-CB 3.06Å; R196-K200 PolarHBondContact O-N 3.11Å; R196-L1052 HydrophobicContact CG-CD1 4.38Å; R196-V1055 VanDerWaalsContact CA-CG1 3.47Å; R196-V1055 HydrophobicContact CB-CG1 3.65Å; R196-V1055 HydrophobicContact CG-CG1 4.21Å |
| 197 | R | 83.5 | Confident | 84 | Confident | 187 Ų | 187 | 78.9 Ų | 78.9 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 176.8 | -74.9 | 179.5 | 177.9 | 175 | -0.4 | 110.7 | A193 A194 E195 K200 M201 | A193-R197 PolarHBondContact O-N 3.4Å; A194-R197 PolarHBondContact O-N 2.72Å; A194-R197 VanDerWaalsContact O-N 3.13Å; E195-R197 VanDerWaalsContact C-N 3.32Å; E195-R197 PolarHBondContact O-N 3.31Å; R197-K200 PolarHBondContact O-N 3.5Å; R197-M201 WeakPolarHBondContact O-CG 3.44Å; R197-M201 PolarHBondContact O-N 3.39Å |
| 198 | V | 84.4 | Confident | 83.4 | Confident | 65 Ų | 65 | 79.7 Ų | 79.7 | 39% | 0.394 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -50.4 | 177.2 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | A194 E195 K200 M201 E202 | A194-V198 PolarHBondContact O-N 3.35Å; E195-V198 PolarHBondContact O-N 3.14Å; V198-K200 VanDerWaalsContact C-N 3.25Å; V198-K200 PolarHBondContact O-N 2.98Å; V198-M201 HydrophobicContact CG2-CE 4.38Å; V198-M201 PolarHBondContact O-N 3.33Å; V198-M201 VanDerWaalsContact O-N 3.09Å; V198-E202 HydrophobicContact CG1-CG 4.44Å; V198-E202 WeakPolarHBondContact O-CG 3.3Å; V198-E202 PolarHBondContact O-N 3.37Å |
| 199 | A | 84.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.008 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.9 | -32.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E195 K203 R1051 L1052 V1055 | E195-A199 WeakPolarHBondContact O-CB 3.48Å; E195-A199 PolarHBondContact O-N 3.16Å; A199-K203 WeakPolarHBondContact O-CB 3.46Å; A199-K203 PolarHBondContact O-N 3.4Å; A199-R1051 HydrophobicContact CB-CG 4.42Å; A199-L1052 HydrophobicContact CB-CB 4.36Å; A199-L1052 HydrophobicContact CB-CD1 4.08Å; A199-V1055 HydrophobicContact CB-CG2 4.49Å |
| 200 | K | 82.3 | Confident | 82.1 | Confident | 117 Ų | 117 | 79.6 Ų | 79.6 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 174.5 | -175.8 | -178.7 | 171.8 | -172.8 | 0 | 111.6 | R196 R197 V198 K203 E204 L1052 | R196-K200 WeakPolarHBondContact O-CB 3.06Å; R196-K200 PolarHBondContact O-N 3.11Å; R197-K200 PolarHBondContact O-N 3.5Å; V198-K200 VanDerWaalsContact C-N 3.25Å; V198-K200 PolarHBondContact O-N 2.98Å; K200-K203 PolarHBondContact O-N 3.01Å; K200-E204 WeakPolarHBondContact CE-OE1 3.14Å; K200-E204 IonicContact NZ-OE1 3.44Å; K200-E204 WeakPolarHBondContact O-CG 3.16Å; K200-E204 PolarHBondContact O-N 3.1Å; K200-E204 VanDerWaalsContact O-N 3.08Å; K200-L1052 HydrophobicContact CB-CD1 4.19Å |
| 201 | M | 80.9 | Confident | 81.7 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 50% | 0.502 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 176.3 | -67 | -177.4 | -64.5 | 0 | 0 | 111 | R197 V198 K203 E204 E205 | R197-M201 WeakPolarHBondContact O-CG 3.44Å; R197-M201 PolarHBondContact O-N 3.39Å; V198-M201 HydrophobicContact CG2-CE 4.38Å; V198-M201 PolarHBondContact O-N 3.33Å; V198-M201 VanDerWaalsContact O-N 3.09Å; M201-K203 VanDerWaalsContact C-N 3.32Å; M201-K203 PolarHBondContact O-N 2.87Å; M201-E204 PolarHBondContact O-N 3.35Å; M201-E205 WeakPolarHBondContact O-CG 3.25Å; M201-E205 PolarHBondContact O-N 3.23Å |
| 202 | E | 79.5 | Confident | 81.2 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 22% | 0.224 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.1 | -40.8 | 175.6 | -69.9 | 178.2 | -179.2 | 0 | 0 | 112.3 | V198 A206 A1048 R1051 | V198-E202 HydrophobicContact CG1-CG 4.44Å; V198-E202 WeakPolarHBondContact O-CG 3.3Å; V198-E202 PolarHBondContact O-N 3.37Å; E202-A206 WeakPolarHBondContact O-CB 3.32Å; E202-A206 PolarHBondContact O-N 3.45Å; E202-A1048 HydrophobicContact CB-CB 4.18Å; E202-R1051 IonicContact OE1-CZ 3.05Å; E202-R1051 IonicContact OE1-NH1 3.3Å; E202-R1051 PolarHBondContact OE1-NH1 3.16Å; E202-R1051 WeakPolarHBondContact OE2-CD 3.41Å; E202-R1051 IonicContact OE2-CZ 3.43Å; E202-R1051 IonicContact OE2-NE 3.72Å; E202-R1051 IonicContact OE2-NH1 2.72Å; E202-R1051 PolarHBondContact OE2-NH1 3.39Å |
| 203 | K | 80.4 | Confident | 80.8 | Confident | 64 Ų | 64 | 84.2 Ų | 84.2 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 176 | 178.1 | -175.7 | 168.6 | 178.6 | 0 | 111.9 | A199 K200 M201 E205 A206 E207 T1049 L1052 | A199-K203 WeakPolarHBondContact O-CB 3.46Å; A199-K203 PolarHBondContact O-N 3.4Å; K200-K203 PolarHBondContact O-N 3.01Å; M201-K203 VanDerWaalsContact C-N 3.32Å; M201-K203 PolarHBondContact O-N 2.87Å; K203-E205 PolarHBondContact O-N 3.32Å; K203-A206 PolarHBondContact O-N 3.2Å; K203-E207 WeakPolarHBondContact CE-OE1 3.37Å; K203-E207 HydrophobicContact CG-CG 4.37Å; K203-E207 IonicContact NZ-OE1 2.7Å; K203-E207 PolarHBondContact NZ-OE1 3.23Å; K203-E207 PolarHBondContact O-N 3.45Å; K203-T1049 HydrophobicContact CD-CG2 4.38Å; K203-T1049 HydrophobicContact CG-CG2 4.24Å; K203-L1052 HydrophobicContact CB-CD2 4.34Å; K203-L1052 HydrophobicContact CD-CD2 3.4Å; K203-L1052 VanDerWaalsContact CD-CD2 3.4Å; K203-L1052 HydrophobicContact CG-CD2 4.46Å |
| 204 | E | 77.6 | Confident | 80.5 | Confident | 84 Ų | 84 | 88.2 Ų | 88.2 | 39% | 0.393 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.9 | -34.2 | -179.4 | -73.7 | 176 | -172.9 | 0 | 0 | 111.7 | K200 M201 K208 | K200-E204 WeakPolarHBondContact CE-OE1 3.14Å; K200-E204 IonicContact NZ-OE1 3.44Å; K200-E204 WeakPolarHBondContact O-CG 3.16Å; K200-E204 PolarHBondContact O-N 3.1Å; K200-E204 VanDerWaalsContact O-N 3.08Å; M201-E204 PolarHBondContact O-N 3.35Å; E204-K208 WeakPolarHBondContact O-CD 3.04Å; E204-K208 WeakPolarHBondContact O-CG 3.24Å; E204-K208 PolarHBondContact O-N 3.3Å |
| 205 | E | 74.7 | Confident | 80.2 | Confident | 120 Ų | 120 | 87.6 Ų | 87.6 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69.7 | -44.6 | 172.8 | -71.6 | 173.4 | 175.6 | 0 | 0 | 112 | M201 K203 K208 Y209 | M201-E205 WeakPolarHBondContact O-CG 3.25Å; M201-E205 PolarHBondContact O-N 3.23Å; K203-E205 PolarHBondContact O-N 3.32Å; E205-K208 PolarHBondContact O-N 3.43Å; E205-Y209 WeakPolarHBondContact O-CB 3.25Å; E205-Y209 PolarHBondContact O-N 3.37Å |
| 206 | A | 75.4 | Confident | 80 | Confident | 16 Ų | 16 | 84.4 Ų | 84.4 | 13% | 0.132 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | E202 K203 K208 Y209 Q210 M1044 A1048 | E202-A206 WeakPolarHBondContact O-CB 3.32Å; E202-A206 PolarHBondContact O-N 3.45Å; K203-A206 PolarHBondContact O-N 3.2Å; A206-K208 VanDerWaalsContact C-N 3.33Å; A206-K208 PolarHBondContact O-N 3.23Å; A206-Y209 PolarHBondContact O-N 3.03Å; A206-Q210 PolarHBondContact O-N 2.84Å; A206-M1044 HydrophobicContact CB-CG 4.12Å; A206-M1044 HydrophobicContact CB-SD 4.3Å; A206-A1048 HydrophobicContact CB-CB 4.12Å |
| 207 | E | 77.9 | Confident | 79.7 | Confident | 86 Ų | 86 | 83.4 Ų | 83.4 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.9 | -38.3 | 176.7 | -76 | -176.6 | 168.8 | 0 | 0 | 112.2 | K203 K211 | K203-E207 WeakPolarHBondContact CE-OE1 3.37Å; K203-E207 HydrophobicContact CG-CG 4.37Å; K203-E207 IonicContact NZ-OE1 2.7Å; K203-E207 PolarHBondContact NZ-OE1 3.23Å; K203-E207 PolarHBondContact O-N 3.45Å; E207-K211 WeakPolarHBondContact O-CG 3.01Å; E207-K211 PolarHBondContact O-N 2.87Å |
| 208 | K | 76.2 | Confident | 79.6 | Confident | 129 Ų | 129 | 79.4 Ų | 79.4 | 56% | 0.561 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.8 | -47.7 | 173.5 | -75.3 | 171.3 | -173.1 | 171.3 | 0 | 110.4 | E204 E205 A206 Q210 K211 M212 | E204-K208 WeakPolarHBondContact O-CD 3.04Å; E204-K208 WeakPolarHBondContact O-CG 3.24Å; E204-K208 PolarHBondContact O-N 3.3Å; E205-K208 PolarHBondContact O-N 3.43Å; A206-K208 VanDerWaalsContact C-N 3.33Å; A206-K208 PolarHBondContact O-N 3.23Å; K208-Q210 PolarHBondContact O-N 2.92Å; K208-K211 PolarHBondContact O-N 2.89Å; K208-M212 VanDerWaalsContact C-CE 3.47Å; K208-M212 HydrophobicContact CB-CE 3.96Å; K208-M212 VanDerWaalsContact O-CE 3.25Å; K208-M212 WeakPolarHBondContact O-CE 3.34Å; K208-M212 WeakPolarHBondContact O-CG 3.21Å; K208-M212 PolarHBondContact O-N 3.48Å |
| 209 | Y | 77.9 | Confident | 79.6 | Confident | 50 Ų | 50 | 78.6 Ų | 78.6 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 178.2 | -175.7 | -82.9 | 0 | 0 | 0 | 112 | E205 A206 M212 R213 L1038 I1041 M1044 | E205-Y209 WeakPolarHBondContact O-CB 3.25Å; E205-Y209 PolarHBondContact O-N 3.37Å; A206-Y209 PolarHBondContact O-N 3.03Å; Y209-M212 PolarHBondContact O-N 3.45Å; Y209-R213 WeakPolarHBondContact O-CB 3.5Å; Y209-R213 PolarHBondContact O-N 2.95Å; Y209-L1038 HydrophobicContact CD1-CD2 4.37Å; Y209-L1038 HydrophobicContact CD2-CD2 3.64Å; Y209-L1038 HydrophobicContact CE1-CD2 4.14Å; Y209-L1038 HydrophobicContact CE2-CD2 3.36Å; Y209-L1038 HydrophobicContact CG-CD2 4.15Å; Y209-I1041 HydrophobicContact CD2-CB 4.25Å; Y209-I1041 HydrophobicContact CD2-CG2 3.86Å; Y209-M1044 HydrophobicContact CD1-CB 4.2Å; Y209-M1044 HydrophobicContact CD1-CE 3.68Å; Y209-M1044 HydrophobicContact CD1-CG 4.25Å; Y209-M1044 HydrophobicContact CD1-SD 3.22Å; Y209-M1044 WeakPolarHBondContact CD1-SD 3.31Å; Y209-M1044 HydrophobicContact CE1-CB 4.31Å; Y209-M1044 HydrophobicContact CE1-CE 3.7Å; Y209-M1044 HydrophobicContact CE1-SD 3.88Å; Y209-M1044 HydrophobicContact CG-CB 4.36Å; Y209-M1044 HydrophobicContact CG-CG 4.48Å; Y209-M1044 HydrophobicContact CG-SD 3.84Å |
| 210 | Q | 74.4 | Confident | 79.5 | Confident | 109 Ų | 109 | 79.7 Ų | 79.7 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | -178.5 | -171.8 | 157.3 | -10 | 0 | 0 | 112.6 | A206 K208 M212 R213 E214 | A206-Q210 PolarHBondContact O-N 2.84Å; K208-Q210 PolarHBondContact O-N 2.92Å; Q210-M212 VanDerWaalsContact C-N 3.32Å; Q210-M212 PolarHBondContact O-N 2.66Å; Q210-R213 PolarHBondContact O-N 3.22Å; Q210-E214 WeakPolarHBondContact O-CG 3.49Å; Q210-E214 PolarHBondContact O-N 3.41Å |
| 211 | K | 80.5 | Confident | 79.5 | Confident | 146 Ų | 146 | 78.2 Ų | 78.2 | 64% | 0.635 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61 | -40.3 | 174 | -72.9 | 176.4 | -179.3 | 175.7 | 0 | 112.4 | E207 K208 S215 | E207-K211 WeakPolarHBondContact O-CG 3.01Å; E207-K211 PolarHBondContact O-N 2.87Å; K208-K211 PolarHBondContact O-N 2.89Å; K211-S215 WeakPolarHBondContact O-CB 3.47Å; K211-S215 PolarHBondContact O-N 3.4Å |
| 212 | M | 79.6 | Confident | 79.5 | Confident | 38 Ų | 38 | 78.3 Ų | 78.3 | 19% | 0.187 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 176.4 | -75.5 | -175.6 | -78.8 | 0 | 0 | 111.8 | K208 Y209 Q210 S215 L216 L1034 L1037 L1038 I1041 | K208-M212 VanDerWaalsContact C-CE 3.47Å; K208-M212 HydrophobicContact CB-CE 3.96Å; K208-M212 VanDerWaalsContact O-CE 3.25Å; K208-M212 WeakPolarHBondContact O-CE 3.34Å; K208-M212 WeakPolarHBondContact O-CG 3.21Å; K208-M212 PolarHBondContact O-N 3.48Å; Y209-M212 PolarHBondContact O-N 3.45Å; Q210-M212 VanDerWaalsContact C-N 3.32Å; Q210-M212 PolarHBondContact O-N 2.66Å; M212-S215 PolarHBondContact O-N 2.95Å; M212-L216 WeakPolarHBondContact O-CB 3.01Å; M212-L216 PolarHBondContact O-N 3.23Å; M212-L1034 HydrophobicContact CB-CD2 4.43Å; M212-L1034 HydrophobicContact CG-CD2 4.3Å; M212-L1037 HydrophobicContact SD-CB 4.33Å; M212-L1038 HydrophobicContact CB-CD2 4.41Å; M212-L1038 HydrophobicContact CB-CG 4.43Å; M212-I1041 HydrophobicContact CE-CD1 3.23Å; M212-I1041 HydrophobicContact SD-CD1 4.22Å |
| 213 | R | 79.6 | Confident | 79.7 | Confident | 145 Ų | 145 | 77.3 Ų | 77.3 | 55% | 0.547 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 176.4 | -171.7 | 179.5 | 179.9 | -174.7 | 0.9 | 112.7 | Y209 Q210 L216 T217 | Y209-R213 WeakPolarHBondContact O-CB 3.5Å; Y209-R213 PolarHBondContact O-N 2.95Å; Q210-R213 PolarHBondContact O-N 3.22Å; R213-L216 WeakPolarHBondContact O-CB 3.45Å; R213-L216 PolarHBondContact O-N 3.35Å; R213-T217 PolarHBondContact O-N 3.49Å; R213-T217 PolarHBondContact O-OG1 3.36Å |
| 214 | E | 80.6 | Confident | 79.8 | Confident | 110 Ų | 110 | 74.6 Ų | 74.6 | 51% | 0.514 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -46.7 | 175.7 | -73.9 | 170.7 | -171.7 | 0 | 0 | 110.9 | Q210 L216 T217 E218 | Q210-E214 WeakPolarHBondContact O-CG 3.49Å; Q210-E214 PolarHBondContact O-N 3.41Å; E214-L216 VanDerWaalsContact C-N 3.32Å; E214-L216 PolarHBondContact O-N 2.88Å; E214-T217 PolarHBondContact O-N 3.14Å; E214-T217 PolarHBondContact O-OG1 3.17Å; E214-E218 PolarHBondContact O-N 3.33Å |
| 215 | S | 81.8 | Confident | 80.1 | Confident | 42 Ų | 42 | 71 Ų | 71 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 175.2 | -166.7 | 0 | 0 | 0 | 0 | 112.4 | K211 M212 E218 K219 | K211-S215 WeakPolarHBondContact O-CB 3.47Å; K211-S215 PolarHBondContact O-N 3.4Å; M212-S215 PolarHBondContact O-N 2.95Å; S215-E218 PolarHBondContact O-N 3.35Å; S215-K219 WeakPolarHBondContact O-CB 3.5Å; S215-K219 WeakPolarHBondContact O-CG 3.26Å; S215-K219 PolarHBondContact O-N 3.34Å |
| 216 | L | 82.6 | Confident | 80.4 | Confident | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -50.6 | 175.2 | -176.3 | 81.9 | 0 | 0 | 0 | 111.1 | M212 R213 E214 E218 K219 Q220 I1031 L1034 Q1035 L1038 | M212-L216 WeakPolarHBondContact O-CB 3.01Å; M212-L216 PolarHBondContact O-N 3.23Å; R213-L216 WeakPolarHBondContact O-CB 3.45Å; R213-L216 PolarHBondContact O-N 3.35Å; E214-L216 VanDerWaalsContact C-N 3.32Å; E214-L216 PolarHBondContact O-N 2.88Å; L216-E218 VanDerWaalsContact C-N 3.34Å; L216-E218 PolarHBondContact O-N 3.19Å; L216-K219 PolarHBondContact O-N 3.5Å; L216-Q220 HydrophobicContact CG-CG 4.39Å; L216-Q220 WeakPolarHBondContact O-CB 3.5Å; L216-Q220 VanDerWaalsContact O-CG 3.29Å; L216-Q220 WeakPolarHBondContact O-CG 3.5Å; L216-Q220 PolarHBondContact O-N 3.2Å; L216-I1031 HydrophobicContact CD1-CG2 4.2Å; L216-L1034 HydrophobicContact CD1-CB 3.77Å; L216-Q1035 HydrophobicContact CD1-CG 3.67Å; L216-Q1035 HydrophobicContact CD2-CG 4.45Å; L216-L1038 HydrophobicContact CB-CD1 4.21Å; L216-L1038 HydrophobicContact CD1-CD1 4.49Å; L216-L1038 HydrophobicContact CD2-CD1 3.81Å; L216-L1038 HydrophobicContact CG-CD1 4.38Å |
| 217 | T | 80.1 | Confident | 80.7 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -39 | -178.4 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | R213 E214 K221 | R213-T217 PolarHBondContact O-N 3.49Å; R213-T217 PolarHBondContact O-OG1 3.36Å; E214-T217 PolarHBondContact O-N 3.14Å; E214-T217 PolarHBondContact O-OG1 3.17Å; T217-K221 PolarHBondContact O-N 3.42Å; T217-K221 VanDerWaalsContact O-N 3.07Å |
| 218 | E | 82.2 | Confident | 80.9 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 177.2 | -171.7 | -179.2 | 179.4 | 0 | 0 | 111.7 | E214 S215 L216 K221 R222 | E214-E218 PolarHBondContact O-N 3.33Å; S215-E218 PolarHBondContact O-N 3.35Å; L216-E218 VanDerWaalsContact C-N 3.34Å; L216-E218 PolarHBondContact O-N 3.19Å; E218-K221 PolarHBondContact O-N 3.39Å; E218-R222 WeakPolarHBondContact O-CG 3.37Å; E218-R222 PolarHBondContact O-N 3.4Å; E218-R222 VanDerWaalsContact O-N 3.11Å; E218-R222 IonicContact OE1-CZ 3.29Å; E218-R222 IonicContact OE1-NE 2.83Å; E218-R222 IonicContact OE1-NH2 2.69Å; E218-R222 PolarHBondContact OE1-NH2 3.14Å |
| 219 | K | 82.7 | Confident | 81.2 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.6 | -39.7 | 177.8 | -69.3 | -173.3 | -171.2 | -165 | 0 | 112.4 | S215 L216 K221 R222 F223 L1027 E1030 I1031 L1034 | S215-K219 WeakPolarHBondContact O-CB 3.5Å; S215-K219 WeakPolarHBondContact O-CG 3.26Å; S215-K219 PolarHBondContact O-N 3.34Å; L216-K219 PolarHBondContact O-N 3.5Å; K219-K221 PolarHBondContact O-N 3.24Å; K219-R222 PolarHBondContact O-N 2.99Å; K219-F223 VanDerWaalsContact O-CB 3.23Å; K219-F223 WeakPolarHBondContact O-CB 3.47Å; K219-F223 PolarHBondContact O-N 3.43Å; K219-L1027 HydrophobicContact CB-CD2 4.28Å; K219-L1027 HydrophobicContact CG-CD2 4.3Å; K219-E1030 HydrophobicContact CD-CB 3.93Å; K219-E1030 WeakPolarHBondContact CD-OE2 3.49Å; K219-E1030 VanDerWaalsContact CE-OE2 3.23Å; K219-E1030 WeakPolarHBondContact CE-OE2 3.25Å; K219-E1030 IonicContact NZ-OE2 2.62Å; K219-E1030 PolarHBondContact NZ-OE2 3.08Å; K219-I1031 HydrophobicContact CB-CD1 4.46Å; K219-I1031 HydrophobicContact CB-CG1 3.98Å; K219-L1034 HydrophobicContact CD-CD1 3.87Å |
| 220 | Q | 82.9 | Confident | 81.4 | Confident | 24 Ų | 24 | 61.7 Ų | 61.7 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 173.6 | -77.3 | 173.9 | -24.1 | 0 | 0 | 111.8 | L216 R222 F223 H224 V937 I1031 | L216-Q220 HydrophobicContact CG-CG 4.39Å; L216-Q220 WeakPolarHBondContact O-CB 3.5Å; L216-Q220 VanDerWaalsContact O-CG 3.29Å; L216-Q220 WeakPolarHBondContact O-CG 3.5Å; L216-Q220 PolarHBondContact O-N 3.2Å; Q220-R222 PolarHBondContact O-N 3.1Å; Q220-F223 PolarHBondContact O-N 3.11Å; Q220-H224 PolarHBondContact O-N 3.08Å; Q220-V937 HydrophobicContact CB-CG2 4.46Å; Q220-I1031 HydrophobicContact CG-CD1 4.18Å; Q220-I1031 HydrophobicContact CG-CG1 4.39Å; Q220-I1031 HydrophobicContact CG-CG2 4.4Å |
| 221 | K | 81.5 | Confident | 81.8 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 175.7 | -175.1 | -178.7 | 179.1 | -178.9 | 0 | 112.1 | T217 E218 K219 L225 V937 L939 | T217-K221 PolarHBondContact O-N 3.42Å; T217-K221 VanDerWaalsContact O-N 3.07Å; E218-K221 PolarHBondContact O-N 3.39Å; K219-K221 PolarHBondContact O-N 3.24Å; K221-L225 HydrophobicContact CG-CD1 4.41Å; K221-L225 WeakPolarHBondContact O-CB 3.29Å; K221-L225 WeakPolarHBondContact O-CG 3.48Å; K221-L225 PolarHBondContact O-N 3.1Å; K221-V937 HydrophobicContact CB-CG1 4.12Å; K221-V937 HydrophobicContact CG-CG1 4.43Å; K221-L939 HydrophobicContact CG-CD2 4.46Å |
| 222 | R | 81.5 | Confident | 81.8 | Confident | 103 Ų | 103 | 51.6 Ų | 51.6 | 39% | 0.389 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65 | -40.5 | 177.6 | -69.6 | -178.7 | -170.8 | -163.6 | 4 | 112 | E218 K219 Q220 L225 I226 L1027 | E218-R222 WeakPolarHBondContact O-CG 3.37Å; E218-R222 PolarHBondContact O-N 3.4Å; E218-R222 VanDerWaalsContact O-N 3.11Å; E218-R222 IonicContact OE1-CZ 3.29Å; E218-R222 IonicContact OE1-NE 2.83Å; E218-R222 IonicContact OE1-NH2 2.69Å; E218-R222 PolarHBondContact OE1-NH2 3.14Å; K219-R222 PolarHBondContact O-N 2.99Å; Q220-R222 PolarHBondContact O-N 3.1Å; R222-L225 PolarHBondContact O-N 3.04Å; R222-I226 WeakPolarHBondContact O-CG1 3.38Å; R222-I226 PolarHBondContact O-N 2.91Å; R222-I226 VanDerWaalsContact O-N 3.12Å; R222-L1027 HydrophobicContact CB-CD1 4.15Å |
| 223 | F | 83.9 | Confident | 81.8 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.5 | -51.1 | 179.2 | 173.5 | -103.7 | 0 | 0 | 0 | 111.9 | K219 Q220 L225 I226 Q227 I1024 L1027 K1028 I1031 | K219-F223 VanDerWaalsContact O-CB 3.23Å; K219-F223 WeakPolarHBondContact O-CB 3.47Å; K219-F223 PolarHBondContact O-N 3.43Å; Q220-F223 PolarHBondContact O-N 3.11Å; F223-L225 PolarHBondContact O-N 3.33Å; F223-I226 PolarHBondContact O-N 3.32Å; F223-Q227 VanDerWaalsContact CE1-CD 3.45Å; F223-Q227 HydrophobicContact CE2-CG 4.38Å; F223-Q227 HydrophobicContact CZ-CG 4.35Å; F223-Q227 WeakPolarHBondContact O-CG 3.37Å; F223-Q227 PolarHBondContact O-N 3.44Å; F223-I1024 HydrophobicContact CE2-CG2 3.99Å; F223-L1027 HydrophobicContact CB-CB 4.31Å; F223-L1027 HydrophobicContact CB-CD1 4.41Å; F223-L1027 HydrophobicContact CD2-CB 4.07Å; F223-K1028 HydrophobicContact CE2-CB 3.94Å; F223-K1028 HydrophobicContact CE2-CG 4.45Å; F223-I1031 HydrophobicContact CB-CD1 3.56Å; F223-I1031 HydrophobicContact CD1-CD1 4.1Å; F223-I1031 HydrophobicContact CD2-CD1 4.19Å; F223-I1031 HydrophobicContact CG-CD1 3.7Å |
| 224 | H | 82.5 | Confident | 81.6 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 3% | 0.032 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -39.6 | 179.3 | -69 | -21.6 | 0 | 0 | 0 | 112.7 | Q220 I226 Q227 L228 C932 Q935 L939 | Q220-H224 PolarHBondContact O-N 3.08Å; H224-I226 PolarHBondContact O-N 3.43Å; H224-Q227 PolarHBondContact O-N 3.19Å; H224-L228 WeakPolarHBondContact O-CD1 3.42Å; H224-L228 WeakPolarHBondContact O-CG 3.18Å; H224-L228 PolarHBondContact O-N 3.11Å; H224-C932 PolarHBondContact CD2-SG 3.08Å; H224-Q935 PolarHBondContact CE1-OE1 3.48Å; H224-Q935 PolarHBondContact NE2-OE1 3.05Å; H224-L939 HydrophobicContact CB-CD2 4.24Å |
| 225 | L | 82.8 | Confident | 81.5 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 176.3 | -85.1 | 173.3 | 0 | 0 | 0 | 112.7 | K221 R222 F223 Y229 L939 P940 I991 L996 | K221-L225 HydrophobicContact CG-CD1 4.41Å; K221-L225 WeakPolarHBondContact O-CB 3.29Å; K221-L225 WeakPolarHBondContact O-CG 3.48Å; K221-L225 PolarHBondContact O-N 3.1Å; R222-L225 PolarHBondContact O-N 3.04Å; F223-L225 PolarHBondContact O-N 3.33Å; L225-Y229 PolarHBondContact O-N 3.39Å; L225-L939 HydrophobicContact CD2-CD2 4.45Å; L225-L939 HydrophobicContact CG-CD2 4.15Å; L225-P940 HydrophobicContact CD1-CG 4.48Å; L225-P940 HydrophobicContact CD2-CG 4.28Å; L225-I991 HydrophobicContact CD2-CG2 3.85Å; L225-L996 HydrophobicContact CB-CD1 3.95Å; L225-L996 HydrophobicContact CB-CG 4.23Å; L225-L996 HydrophobicContact CD2-CD1 4.25Å; L225-L996 HydrophobicContact CG-CD1 4.47Å |
| 226 | I | 81.1 | Confident | 81.3 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.2 | -36.9 | 178.7 | -65.2 | 168.8 | 0 | 0 | 0 | 111.1 | R222 F223 H224 R230 L996 I1020 I1024 L1027 | R222-I226 WeakPolarHBondContact O-CG1 3.38Å; R222-I226 PolarHBondContact O-N 2.91Å; R222-I226 VanDerWaalsContact O-N 3.12Å; F223-I226 PolarHBondContact O-N 3.32Å; H224-I226 PolarHBondContact O-N 3.43Å; I226-R230 WeakPolarHBondContact O-CB 3.46Å; I226-R230 PolarHBondContact O-N 3.17Å; I226-L996 HydrophobicContact CB-CD2 4.39Å; I226-L996 HydrophobicContact CD1-CD2 4.43Å; I226-L996 HydrophobicContact CG1-CD2 3.39Å; I226-I1020 HydrophobicContact CG2-CG2 3.88Å; I226-I1024 HydrophobicContact CB-CG1 4.38Å; I226-I1024 HydrophobicContact CG2-CD1 3.95Å; I226-I1024 HydrophobicContact CG2-CG1 3.52Å; I226-L1027 HydrophobicContact CD1-CD1 3.66Å |
| 227 | Q | 82.1 | Confident | 81.1 | Confident | 46 Ų | 46 | 51.7 Ų | 51.7 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.6 | -75.2 | -173.9 | -44.9 | 0 | 0 | 112.5 | F223 H224 R230 N231 L928 I1024 | F223-Q227 VanDerWaalsContact CE1-CD 3.45Å; F223-Q227 HydrophobicContact CE2-CG 4.38Å; F223-Q227 HydrophobicContact CZ-CG 4.35Å; F223-Q227 WeakPolarHBondContact O-CG 3.37Å; F223-Q227 PolarHBondContact O-N 3.44Å; H224-Q227 PolarHBondContact O-N 3.19Å; Q227-R230 PolarHBondContact O-N 2.82Å; Q227-N231 WeakPolarHBondContact O-CB 2.93Å; Q227-N231 PolarHBondContact O-N 3.25Å; Q227-L928 HydrophobicContact CB-CD1 3.92Å; Q227-L928 HydrophobicContact CB-CD2 3.81Å; Q227-L928 HydrophobicContact CG-CD2 4.39Å; Q227-I1024 HydrophobicContact CG-CD1 4.47Å |
| 228 | L | 82.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -46.7 | 177.5 | -74.7 | 158.8 | 0 | 0 | 0 | 111 | H224 R230 N231 D232 L928 L929 L939 I991 Y993 | H224-L228 WeakPolarHBondContact O-CD1 3.42Å; H224-L228 WeakPolarHBondContact O-CG 3.18Å; H224-L228 PolarHBondContact O-N 3.11Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 3.25Å; L228-N231 PolarHBondContact O-N 2.69Å; L228-D232 PolarHBondContact O-N 3.46Å; L228-D232 VanDerWaalsContact O-N 3.07Å; L228-L928 HydrophobicContact CD2-CB 3.67Å; L228-L928 HydrophobicContact CD2-CD1 4.01Å; L228-L928 HydrophobicContact CD2-CG 4.49Å; L228-L928 HydrophobicContact CG-CB 4.09Å; L228-L928 HydrophobicContact CG-CD1 4.18Å; L228-L929 HydrophobicContact CD1-CD2 4.45Å; L228-L929 HydrophobicContact CD2-CD2 4.3Å; L228-L929 HydrophobicContact CD2-CG 4.32Å; L228-L939 HydrophobicContact CD1-CD1 3.56Å; L228-I991 HydrophobicContact CB-CD1 3.89Å; L228-I991 HydrophobicContact CD1-CD1 3.61Å; L228-I991 HydrophobicContact CD2-CD1 3.99Å; L228-I991 HydrophobicContact CG-CD1 4.01Å; L228-Y993 HydrophobicContact CB-CE1 4.33Å |
| 229 | Y | 82.3 | Confident | 80.6 | Confident | 67 Ų | 67 | 47 Ų | 47 | 26% | 0.263 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.8 | -42.1 | 176 | 178.1 | -103.9 | 0 | 0 | 0 | 113 | L225 R233 Y993 I1020 | L225-Y229 PolarHBondContact O-N 3.39Å; Y229-R233 PolarHBondContact O-N 3.33Å; Y229-Y993 HydrophobicContact CD2-CD1 4.32Å; Y229-Y993 HydrophobicContact CD2-CD2 4.3Å; Y229-Y993 HydrophobicContact CD2-CE2 4.5Å; Y229-Y993 HydrophobicContact CD2-CG 4.19Å; Y229-I1020 HydrophobicContact CD1-CD1 4.27Å; Y229-I1020 HydrophobicContact CE1-CD1 3.87Å |
| 230 | R | 81 | Confident | 80.3 | Confident | 78 Ų | 78 | 50.5 Ų | 50.5 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69 | -42.8 | 178.1 | -178.4 | -179.1 | 170.9 | -168.7 | -4.1 | 112.5 | I226 Q227 L228 R233 E234 I1020 | I226-R230 WeakPolarHBondContact O-CB 3.46Å; I226-R230 PolarHBondContact O-N 3.17Å; Q227-R230 PolarHBondContact O-N 2.82Å; L228-R230 VanDerWaalsContact C-N 3.31Å; L228-R230 PolarHBondContact O-N 3.25Å; R230-R233 PolarHBondContact O-N 3.19Å; R230-E234 WeakPolarHBondContact O-CB 3.01Å; R230-E234 PolarHBondContact O-N 2.96Å; R230-I1020 HydrophobicContact CB-CG2 4Å; R230-I1020 HydrophobicContact CG-CG2 4.22Å |
| 231 | N | 83.6 | Confident | 79.9 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -47.3 | -178.5 | -177.8 | -71.3 | 0 | 0 | 0 | 111.1 | Q227 L228 R233 E234 T235 K921 E924 L928 | Q227-N231 WeakPolarHBondContact O-CB 2.93Å; Q227-N231 PolarHBondContact O-N 3.25Å; L228-N231 PolarHBondContact O-N 2.69Å; N231-R233 VanDerWaalsContact C-N 3.3Å; N231-R233 PolarHBondContact O-N 3.05Å; N231-E234 PolarHBondContact O-N 2.77Å; N231-T235 PolarHBondContact O-N 3.3Å; N231-T235 PolarHBondContact O-OG1 3.49Å; N231-K921 PolarHBondContact ND2-O 2.99Å; N231-K921 PolarHBondContact OD1-O 2.96Å; N231-E924 WeakPolarHBondContact ND2-CB 3.32Å; N231-E924 PolarHBondContact ND2-OE2 2.87Å; N231-E924 VanDerWaalsContact ND2-OE2 3.1Å; N231-L928 HydrophobicContact CB-CD1 4.38Å |
| 232 | D | 80.5 | Confident | 79.7 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.2 | -44.2 | 178.6 | -76.8 | -24.6 | 0 | 0 | 0 | 111.1 | L228 E236 R925 Y993 | L228-D232 PolarHBondContact O-N 3.46Å; L228-D232 VanDerWaalsContact O-N 3.07Å; D232-E236 PolarHBondContact O-N 3.17Å; D232-R925 IonicContact OD1-CZ 3.97Å; D232-R925 IonicContact OD1-NE 2.75Å; D232-R925 IonicContact OD1-NH1 2.71Å; D232-R925 PolarHBondContact OD1-NH1 3Å; D232-Y993 PolarHBondContact OD2-OH 3.39Å |
| 233 | R | 80.3 | Confident | 79.4 | Confident | 50 Ų | 50 | 53.6 Ų | 53.6 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.7 | -36.5 | -179.3 | -170.7 | 179.1 | 172.7 | -159.5 | -5.6 | 114.6 | Y229 R230 N231 R237 L1015 | Y229-R233 PolarHBondContact O-N 3.33Å; R230-R233 PolarHBondContact O-N 3.19Å; N231-R233 VanDerWaalsContact C-N 3.3Å; N231-R233 PolarHBondContact O-N 3.05Å; R233-R237 PolarHBondContact O-N 2.91Å; R233-L1015 PolarHBondContact NH1-O 3.16Å; R233-L1015 PolarHBondContact NH2-O 2.94Å |
| 234 | E | 73.6 | Confident | 79.1 | Confident | 32 Ų | 32 | 56.3 Ų | 56.3 | 15% | 0.15 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.5 | -33.7 | 179 | -176.5 | 61.6 | -164.9 | 0 | 0 | 111.6 | R230 N231 E236 R237 Q238 | R230-E234 WeakPolarHBondContact O-CB 3.01Å; R230-E234 PolarHBondContact O-N 2.96Å; N231-E234 PolarHBondContact O-N 2.77Å; E234-E236 VanDerWaalsContact C-N 3.29Å; E234-E236 PolarHBondContact O-N 3.38Å; E234-R237 PolarHBondContact O-N 3.49Å; E234-R237 IonicContact OE2-CZ 3.73Å; E234-R237 IonicContact OE2-NH1 3.46Å; E234-R237 PolarHBondContact OE2-NH1 3.12Å; E234-Q238 HydrophobicContact CG-CG 4.27Å; E234-Q238 WeakPolarHBondContact O-CG 3.04Å; E234-Q238 PolarHBondContact O-N 3.41Å; E234-Q238 VanDerWaalsContact O-N 3.1Å; E234-Q238 WeakPolarHBondContact OE1-CG 3.46Å; E234-Q238 PolarHBondContact OE1-NE2 2.83Å |
| 235 | T | 78.5 | Confident | 78.6 | Confident | 28 Ų | 28 | 57.8 Ų | 57.8 | 17% | 0.172 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.9 | -46 | 173.4 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | N231 R237 Q238 V239 L918 K921 | N231-T235 PolarHBondContact O-N 3.3Å; N231-T235 PolarHBondContact O-OG1 3.49Å; T235-R237 VanDerWaalsContact C-N 3.32Å; T235-R237 PolarHBondContact O-N 3.37Å; T235-Q238 PolarHBondContact O-N 3.19Å; T235-V239 WeakPolarHBondContact O-CG2 3.21Å; T235-V239 PolarHBondContact O-N 3.33Å; T235-L918 HydrophobicContact CG2-CD2 4.21Å; T235-K921 VanDerWaalsContact OG1-CB 3.3Å; T235-K921 WeakPolarHBondContact OG1-CB 3.26Å |
| 236 | E | 78 | Confident | 78.2 | Confident | 147 Ų | 147 | 62.1 Ų | 62.1 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.1 | -38.1 | 177.7 | -69.9 | 179.9 | 170.5 | 0 | 0 | 112.7 | D232 E234 | D232-E236 PolarHBondContact O-N 3.17Å; E234-E236 VanDerWaalsContact C-N 3.29Å; E234-E236 PolarHBondContact O-N 3.38Å |
| 237 | R | 78.3 | Confident | 77.9 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -72 | -41 | -178.8 | -175 | -173 | -70.5 | 153.6 | -8.4 | 113.6 | R233 E234 T235 V239 D240 D1017 | R233-R237 PolarHBondContact O-N 2.91Å; E234-R237 PolarHBondContact O-N 3.49Å; E234-R237 IonicContact OE2-CZ 3.73Å; E234-R237 IonicContact OE2-NH1 3.46Å; E234-R237 PolarHBondContact OE2-NH1 3.12Å; T235-R237 VanDerWaalsContact C-N 3.32Å; T235-R237 PolarHBondContact O-N 3.37Å; R237-V239 VanDerWaalsContact C-N 3.35Å; R237-V239 PolarHBondContact O-N 3.05Å; R237-D240 PolarHBondContact O-N 2.75Å; R237-D1017 IonicContact CZ-OD1 3.61Å; R237-D1017 IonicContact CZ-OD2 3.15Å; R237-D1017 IonicContact NH1-OD1 2.81Å; R237-D1017 PolarHBondContact NH1-OD1 3.17Å; R237-D1017 IonicContact NH1-OD2 3.47Å; R237-D1017 PolarHBondContact NH1-OD2 3.19Å; R237-D1017 IonicContact NH2-OD1 3.97Å; R237-D1017 PolarHBondContact NH2-OD1 3.5Å; R237-D1017 IonicContact NH2-OD2 3.79Å |
| 238 | Q | 76 | Confident | 77.6 | Confident | 16 Ų | 16 | 72.6 Ų | 72.6 | 8% | 0.075 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.5 | -29.8 | -173.4 | -70 | -179.4 | -9.2 | 0 | 0 | 113 | E234 T235 D240 E241 L242 I914 S917 L918 | E234-Q238 HydrophobicContact CG-CG 4.27Å; E234-Q238 WeakPolarHBondContact O-CG 3.04Å; E234-Q238 PolarHBondContact O-N 3.41Å; E234-Q238 VanDerWaalsContact O-N 3.1Å; E234-Q238 WeakPolarHBondContact OE1-CG 3.46Å; E234-Q238 PolarHBondContact OE1-NE2 2.83Å; T235-Q238 PolarHBondContact O-N 3.19Å; Q238-D240 PolarHBondContact O-N 3.1Å; Q238-E241 PolarHBondContact O-N 3.31Å; Q238-L242 PolarHBondContact O-N 3.48Å; Q238-I914 HydrophobicContact CB-CG2 4.22Å; Q238-I914 WeakPolarHBondContact O-CG2 3.49Å; Q238-S917 PolarHBondContact NE2-OG 2.94Å; Q238-S917 VanDerWaalsContact OE1-C 3.31Å; Q238-S917 PolarHBondContact OE1-O 3.41Å; Q238-S917 PolarHBondContact OE1-OG 3.3Å; Q238-L918 HydrophobicContact CB-CD2 3.72Å; Q238-L918 HydrophobicContact CB-CG 3.88Å |
| 239 | V | 76.3 | Confident | 77.2 | Confident | 62 Ų | 62 | 74.7 Ų | 74.7 | 38% | 0.376 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57 | -32.3 | 173.1 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | T235 R237 L918 | T235-V239 WeakPolarHBondContact O-CG2 3.21Å; T235-V239 PolarHBondContact O-N 3.33Å; R237-V239 VanDerWaalsContact C-N 3.35Å; R237-V239 PolarHBondContact O-N 3.05Å; V239-L918 HydrophobicContact CB-CD2 4.47Å; V239-L918 HydrophobicContact CG2-CD1 4.07Å; V239-L918 HydrophobicContact CG2-CD2 3.45Å; V239-L918 VanDerWaalsContact CG2-CD2 3.45Å; V239-L918 HydrophobicContact CG2-CG 4.43Å |
| 240 | D | 76.4 | Confident | 76.7 | Confident | 121 Ų | 121 | 78 Ų | 78 | 65% | 0.647 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -83.6 | -29.1 | -178.7 | -72.5 | -23.2 | 0 | 0 | 0 | 113.8 | R237 Q238 | R237-D240 PolarHBondContact O-N 2.75Å; Q238-D240 PolarHBondContact O-N 3.1Å |
| 241 | E | 74.2 | Confident | 76.6 | Confident | 95 Ų | 95 | 79.8 Ų | 79.8 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -78 | -34.6 | -176.2 | -163.1 | 179.9 | 170.7 | 0 | 0 | 113.8 | Q238 K243 S244 I914 | Q238-E241 PolarHBondContact O-N 3.31Å; E241-K243 PolarHBondContact O-N 3.16Å; E241-K243 VanDerWaalsContact O-N 3.14Å; E241-S244 PolarHBondContact O-N 3.31Å; E241-S244 VanDerWaalsContact O-N 3.11Å; E241-I914 HydrophobicContact CB-CD1 3.92Å; E241-I914 HydrophobicContact CB-CG1 4.44Å; E241-I914 HydrophobicContact CG-CD1 3.64Å; E241-I914 HydrophobicContact CG-CG1 4.4Å |
| 242 | L | 77.8 | Confident | 76.2 | Confident | 31 Ų | 31 | 80.9 Ų | 80.9 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -52.3 | -42.7 | -175.5 | -174.7 | 73.6 | 0 | 0 | 0 | 111.9 | Q238 S244 I911 I914 E915 | Q238-L242 PolarHBondContact O-N 3.48Å; L242-S244 PolarHBondContact O-N 3.34Å; L242-S244 VanDerWaalsContact O-N 3.08Å; L242-I911 WeakPolarHBondContact CD1-O 3.28Å; L242-I914 HydrophobicContact CB-CB 4.21Å; L242-I914 HydrophobicContact CB-CG2 3.53Å; L242-I914 HydrophobicContact CD1-CB 3.66Å; L242-I914 HydrophobicContact CD1-CG2 3.81Å; L242-I914 HydrophobicContact CG-CG2 4.28Å; L242-E915 HydrophobicContact CD1-CB 4.05Å; L242-E915 HydrophobicContact CD1-CG 3.52Å; L242-E915 HydrophobicContact CD2-CG 3.85Å; L242-E915 HydrophobicContact CG-CG 4.32Å |
| 243 | K | 74.9 | Confident | 76 | Confident | 152 Ų | 152 | 82.9 Ų | 82.9 | 66% | 0.661 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.4 | -16.6 | -173.8 | -67.3 | 175 | -176.9 | 163.3 | 0 | 113.5 | E241 | E241-K243 PolarHBondContact O-N 3.16Å; E241-K243 VanDerWaalsContact O-N 3.14Å |
| 244 | S | 77.3 | Confident | 75.8 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 60% | 0.601 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -94.3 | -37.1 | -175.1 | -174.7 | 0 | 0 | 0 | 0 | 114.2 | E241 L242 | E241-S244 PolarHBondContact O-N 3.31Å; E241-S244 VanDerWaalsContact O-N 3.11Å; L242-S244 PolarHBondContact O-N 3.34Å; L242-S244 VanDerWaalsContact O-N 3.08Å |
| 245 | K | 73.6 | Confident | 76 | Confident | 38 Ų | 38 | 89.2 Ų | 89.2 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -83.9 | -18.5 | -164.9 | -71.2 | -63.4 | -161.7 | 167.6 | 0 | 116 | K247 E248 Q910 I911 I914 | K245-K247 PolarHBondContact O-N 3.44Å; K245-E248 IonicContact NZ-OE2 2.74Å; K245-E248 PolarHBondContact NZ-OE2 2.84Å; K245-E248 PolarHBondContact O-N 3.15Å; K245-Q910 HydrophobicContact CB-CB 3.74Å; K245-Q910 HydrophobicContact CD-CB 3.98Å; K245-Q910 HydrophobicContact CD-CG 4.21Å; K245-Q910 HydrophobicContact CG-CB 3.72Å; K245-Q910 HydrophobicContact CG-CG 4.31Å; K245-Q910 VanDerWaalsContact NZ-NE2 3.13Å; K245-I911 VanDerWaalsContact C-CG1 3.48Å; K245-I911 HydrophobicContact CB-CG1 3.97Å; K245-I914 HydrophobicContact CB-CD1 4.48Å; K245-I914 HydrophobicContact CG-CD1 4.26Å |
| 246 | Q | 74.4 | Confident | 75.9 | Confident | 97 Ų | 97 | 88.3 Ų | 88.3 | 45% | 0.453 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20 | 176.4 | -72.4 | 178.7 | -17.9 | 0 | 0 | 114.5 | I911 E915 | Q246-I911 VanDerWaalsContact CA-CD1 3.43Å; Q246-I911 HydrophobicContact CB-CD1 4.26Å; Q246-I911 HydrophobicContact CB-CG1 4.26Å; Q246-I911 HydrophobicContact CG-CB 4.21Å; Q246-I911 HydrophobicContact CG-CD1 3.97Å; Q246-I911 HydrophobicContact CG-CG1 3.65Å; Q246-I911 HydrophobicContact CG-CG2 3.53Å; Q246-E915 PolarHBondContact NE2-OE1 3.49Å |
| 247 | K | 75.1 | Confident | 75.9 | Confident | 189 Ų | 189 | 85 Ų | 85 | 82% | 0.822 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -17.3 | -176.9 | -66.6 | 177 | 179.4 | 174.3 | 0 | 115.5 | K245 | K245-K247 PolarHBondContact O-N 3.44Š|
| 248 | E | 74.7 | Confident | 76 | Confident | 94 Ų | 94 | 90.6 Ų | 90.6 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -21.9 | -167.2 | -165.6 | 175.3 | 168.5 | 0 | 0 | 114.6 | K245 A907 | K245-E248 IonicContact NZ-OE2 2.74Å; K245-E248 PolarHBondContact NZ-OE2 2.84Å; K245-E248 PolarHBondContact O-N 3.15Å; E248-A907 HydrophobicContact CB-CB 4.1Å; E248-A907 HydrophobicContact CG-CB 4.31Å |
| 249 | Q | 74.8 | Confident | 76.3 | Confident | 44 Ų | 44 | 92 Ų | 92 | 21% | 0.206 | 47% | 0.471 | C | S | . | . | G | 310 helix | trans | -71 | -32.9 | -167.5 | 156.2 | 176.6 | 20.9 | 0 | 0 | 116.8 | V251 L904 A907 Q908 I911 | Q249-V251 VanDerWaalsContact C-N 3.28Å; Q249-V251 PolarHBondContact O-N 2.98Å; Q249-L904 WeakPolarHBondContact O-CD1 3.39Å; Q249-A907 HydrophobicContact CB-CB 3.63Å; Q249-Q908 VanDerWaalsContact CD-CG 3.49Å; Q249-Q908 HydrophobicContact CG-CB 4.4Å; Q249-Q908 HydrophobicContact CG-CG 3.71Å; Q249-Q908 VanDerWaalsContact NE2-CB 3.31Å; Q249-I911 HydrophobicContact CB-CD1 4.37Å |
| 250 | N | 72.5 | Confident | 76.5 | Confident | 135 Ų | 135 | 93 Ų | 93 | 72% | 0.722 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -71.1 | -16.9 | -164.7 | -70.2 | -24.3 | 0 | 0 | 0 | 114.7 | ||
| 251 | V | 79 | Confident | 76.7 | Confident | 116 Ų | 116 | 94.9 Ų | 94.9 | 70% | 0.703 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -84.4 | -23.6 | -174 | 174.1 | 0 | 0 | 0 | 0 | 113.5 | Q249 | Q249-V251 VanDerWaalsContact C-N 3.28Å; Q249-V251 PolarHBondContact O-N 2.98Å |
| 252 | L | 74.7 | Confident | 77.1 | Confident | 28 Ų | 28 | 95.6 Ų | 95.6 | 15% | 0.147 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -95.9 | -7.8 | -158.6 | -64 | 160 | 0 | 0 | 0 | 113.7 | E903 L904 A907 | L252-E903 HydrophobicContact CB-CB 4.31Å; L252-E903 HydrophobicContact CD1-CB 3.8Å; L252-E903 WeakPolarHBondContact CD1-O 3.19Å; L252-E903 HydrophobicContact CD2-CB 3.35Å; L252-E903 HydrophobicContact CD2-CG 4.22Å; L252-E903 WeakPolarHBondContact CD2-OE2 3.42Å; L252-E903 HydrophobicContact CG-CB 3.93Å; L252-L904 HydrophobicContact CB-CB 3.6Å; L252-L904 HydrophobicContact CB-CD1 3.89Å; L252-L904 HydrophobicContact CB-CG 4.4Å; L252-A907 HydrophobicContact CD1-CB 4.38Å |
| 253 | V | 76.3 | Confident | 77.4 | Confident | 80 Ų | 80 | 94.9 Ų | 94.9 | 49% | 0.485 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -67.6 | -42.6 | -174.5 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | K255 L904 | V253-K255 PolarHBondContact O-N 2.97Å; V253-L904 HydrophobicContact CB-CD1 4.11Å; V253-L904 HydrophobicContact CB-CD2 4.37Å; V253-L904 HydrophobicContact CG2-CD1 3.2Å; V253-L904 HydrophobicContact CG2-CD2 3.99Å; V253-L904 HydrophobicContact CG2-CG 4.2Å |
| 254 | S | 75.1 | Confident | 77.8 | Confident | 97 Ų | 97 | 97.4 Ų | 97.4 | 68% | 0.678 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -27.5 | -166.5 | 55.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 255 | K | 77.7 | Confident | 78.1 | Confident | 118 Ų | 118 | 100.3 Ų | 100.3 | 51% | 0.513 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -19.1 | -175.8 | -173.9 | -171.8 | 172.3 | -165.7 | 0 | 112.3 | V253 V900 E903 | V253-K255 PolarHBondContact O-N 2.97Å; K255-V900 VanDerWaalsContact C-CG1 3.44Å; K255-V900 HydrophobicContact CB-CG1 3.43Å; K255-V900 VanDerWaalsContact CB-CG1 3.43Å; K255-V900 HydrophobicContact CD-CB 4.32Å; K255-V900 HydrophobicContact CD-CG1 3.72Å; K255-V900 HydrophobicContact CD-CG2 3.7Å; K255-V900 VanDerWaalsContact CE-CG2 3.48Å; K255-V900 HydrophobicContact CG-CB 4.3Å; K255-V900 HydrophobicContact CG-CG1 3.54Å; K255-V900 HydrophobicContact CG-CG2 3.77Å; K255-E903 IonicContact NZ-OE2 3.91Å; K255-E903 PolarHBondContact NZ-OE2 2.96Å |
| 256 | C | 77.7 | Confident | 78.7 | Confident | 10 Ų | 10 | 101.8 Ų | 101.8 | 7% | 0.068 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -74.3 | -35.3 | -169.5 | -168 | 0 | 0 | 0 | 0 | 113.9 | R258 V900 Q901 | C256-R258 PolarHBondContact O-N 2.67Å; C256-V900 HydrophobicContact CB-CG1 3.97Å; C256-Q901 VanDerWaalsContact SG-CB 3.52Å; C256-Q901 VanDerWaalsContact SG-CD 3.54Å; C256-Q901 WeakPolarHBondContact SG-CG 3.01Å; C256-Q901 PolarHBondContact SG-NE2 3.23Å; C256-Q901 VanDerWaalsContact SG-NE2 3.41Å |
| 257 | S | 77.2 | Confident | 79.1 | Confident | 78 Ų | 78 | 103.6 Ų | 103.6 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -31.8 | -168.4 | 57.5 | 0 | 0 | 0 | 0 | 115.5 | ||
| 258 | R | 81.1 | Confident | 79.6 | Confident | 216 Ų | 216 | 101.7 Ų | 101.7 | 82% | 0.815 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -32.7 | -174.9 | -70.8 | 176.7 | 68.6 | -175.4 | 1.5 | 114 | C256 E260 | C256-R258 PolarHBondContact O-N 2.67Å; R258-E260 VanDerWaalsContact C-N 3.33Å |
| 259 | L | 82.6 | Confident | 80.1 | Confident | 46 Ų | 46 | 102 Ų | 102 | 24% | 0.241 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -78.7 | -23 | -175.2 | -65.1 | 169.1 | 0 | 0 | 0 | 111.4 | E261 E896 V897 V900 | L259-E261 VanDerWaalsContact C-N 3.3Å; L259-E261 PolarHBondContact O-N 3.28Å; L259-E896 HydrophobicContact CD1-CB 4.21Å; L259-E896 VanDerWaalsContact CD1-O 3.29Å; L259-E896 WeakPolarHBondContact CD1-O 3.02Å; L259-E896 HydrophobicContact CD2-CB 3.99Å; L259-V897 HydrophobicContact CB-CB 4.22Å; L259-V897 HydrophobicContact CB-CG2 3.51Å; L259-V897 WeakPolarHBondContact O-CG2 3.2Å; L259-V900 HydrophobicContact CD1-CB 4.49Å; L259-V900 HydrophobicContact CD1-CG2 3.69Å |
| 260 | E | 80 | Confident | 80.7 | Confident | 83 Ų | 83 | 103 Ų | 103 | 39% | 0.388 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.6 | -25.9 | -174.9 | -71.4 | 179.4 | 151.4 | 0 | 0 | 114.1 | R258 V897 Q901 | R258-E260 VanDerWaalsContact C-N 3.33Å; E260-V897 HydrophobicContact CG-CG1 3.84Å; E260-Q901 PolarHBondContact OE1-NE2 3.45Å |
| 261 | E | 80.7 | Confident | 81.2 | Confident | 160 Ų | 160 | 97.7 Ų | 97.7 | 75% | 0.748 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -74.3 | -43.9 | -177.3 | -163.7 | 164.7 | -158.9 | 0 | 0 | 112.2 | L259 L263 R264 | L259-E261 VanDerWaalsContact C-N 3.3Å; L259-E261 PolarHBondContact O-N 3.28Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 3.18Å; E261-R264 VanDerWaalsContact O-CB 3.3Å; E261-R264 WeakPolarHBondContact O-CB 3.31Å; E261-R264 PolarHBondContact O-N 2.74Å; E261-R264 VanDerWaalsContact O-N 3.11Å |
| 262 | H | 81.9 | Confident | 81.6 | Confident | 109 Ų | 109 | 98 Ų | 98 | 51% | 0.505 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.3 | -36.4 | 178.3 | -173 | -106 | 0 | 0 | 0 | 112.9 | R264 | H262-R264 PolarHBondContact O-N 3.22Å; H262-R264 VanDerWaalsContact O-N 3.16Å |
| 263 | L | 83.7 | Confident | 82.1 | Confident | 16 Ų | 16 | 97.7 Ų | 97.7 | 8% | 0.084 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -56.7 | -28.5 | 174.3 | -175.3 | 91.5 | 0 | 0 | 0 | 113.1 | E261 R267 A893 K894 V897 | E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 3.18Å; L263-R267 VanDerWaalsContact CD2-CZ 3.43Å; L263-R267 VanDerWaalsContact O-CG 3.3Å; L263-R267 WeakPolarHBondContact O-CG 3.43Å; L263-R267 PolarHBondContact O-N 2.95Å; L263-A893 HydrophobicContact CD1-CB 4.48Å; L263-K894 HydrophobicContact CD1-CB 3.66Å; L263-K894 HydrophobicContact CD1-CG 4.21Å; L263-V897 HydrophobicContact CB-CG2 4.13Å; L263-V897 HydrophobicContact CD1-CG2 4.24Å; L263-V897 HydrophobicContact CD2-CG2 4.49Å |
| 264 | R | 83.9 | Confident | 82.6 | Confident | 205 Ų | 205 | 96.4 Ų | 96.4 | 77% | 0.774 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -73.9 | -35.3 | -170.3 | -154.9 | 178.5 | -161 | -178.4 | 6 | 113.3 | E261 H262 | E261-R264 VanDerWaalsContact O-CB 3.3Å; E261-R264 WeakPolarHBondContact O-CB 3.31Å; E261-R264 PolarHBondContact O-N 2.74Å; E261-R264 VanDerWaalsContact O-N 3.11Å; H262-R264 PolarHBondContact O-N 3.22Å; H262-R264 VanDerWaalsContact O-N 3.16Å |
| 265 | E | 83.7 | Confident | 83.1 | Confident | 147 Ų | 147 | 99.3 Ų | 99.3 | 69% | 0.687 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -72.9 | -48.8 | -178.1 | -69.4 | -172.8 | 154.8 | 0 | 0 | 112.4 | R267 K268 | E265-R267 VanDerWaalsContact C-N 3.26Å; E265-R267 PolarHBondContact O-N 2.76Å; E265-K268 VanDerWaalsContact O-CB 3.29Å; E265-K268 WeakPolarHBondContact O-CB 3.23Å; E265-K268 PolarHBondContact O-N 2.84Å |
| 266 | K | 85.8 | Confident | 83.6 | Confident | 70 Ų | 70 | 98 Ų | 98 | 30% | 0.304 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.4 | -37.6 | 177.9 | -68.2 | -61.9 | -162.5 | 168.1 | 0 | 112.4 | K268 H269 Y270 D889 V890 | K266-K268 PolarHBondContact O-N 3.08Å; K266-K268 VanDerWaalsContact O-N 3.14Å; K266-H269 PolarHBondContact O-N 3.45Å; K266-Y270 PolarHBondContact O-N 3.17Å; K266-D889 HydrophobicContact CD-CB 4.07Å; K266-D889 IonicContact NZ-OD2 2.66Å; K266-D889 PolarHBondContact NZ-OD2 3.49Å; K266-V890 HydrophobicContact CB-CG2 3.86Å |
| 267 | R | 83.7 | Confident | 84.1 | Confident | 134 Ų | 134 | 97.8 Ų | 97.8 | 51% | 0.506 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.2 | -28.1 | 174.3 | -79.7 | 177.1 | 173.2 | -167.9 | -0.9 | 113.9 | L263 E265 G271 V890 | L263-R267 VanDerWaalsContact CD2-CZ 3.43Å; L263-R267 VanDerWaalsContact O-CG 3.3Å; L263-R267 WeakPolarHBondContact O-CG 3.43Å; L263-R267 PolarHBondContact O-N 2.95Å; E265-R267 VanDerWaalsContact C-N 3.26Å; E265-R267 PolarHBondContact O-N 2.76Å; R267-G271 PolarHBondContact O-N 2.8Å; R267-G271 VanDerWaalsContact O-N 3.11Å; R267-V890 HydrophobicContact CG-CG1 4.34Å |
| 268 | K | 84.8 | Confident | 84.5 | Confident | 149 Ų | 149 | 97.3 Ų | 97.3 | 65% | 0.648 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -72.9 | -34.9 | -178.8 | -167.8 | 179.7 | 178.5 | -177.9 | 0 | 112.6 | E265 K266 | E265-K268 VanDerWaalsContact O-CB 3.29Å; E265-K268 WeakPolarHBondContact O-CB 3.23Å; E265-K268 PolarHBondContact O-N 2.84Å; K266-K268 PolarHBondContact O-N 3.08Å; K266-K268 VanDerWaalsContact O-N 3.14Å |
| 269 | H | 85.6 | Confident | 84.9 | Confident | 102 Ų | 102 | 93.5 Ų | 93.5 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73.9 | -50.6 | 177.8 | -74.8 | -94.2 | 0 | 0 | 0 | 111.4 | K266 G271 K272 A273 E886 | K266-H269 PolarHBondContact O-N 3.45Å; H269-G271 PolarHBondContact O-N 3.35Å; H269-K272 WeakPolarHBondContact O-CB 2.95Å; H269-K272 PolarHBondContact O-N 2.88Å; H269-A273 PolarHBondContact O-N 3.47Å; H269-E886 WeakPolarHBondContact CB-OE2 3.48Å |
| 270 | Y | 86.4 | Confident | 85.2 | Confident | 65 Ų | 65 | 92.2 Ų | 92.2 | 26% | 0.255 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -50.3 | -43.6 | 171 | 175.5 | -95.2 | 0 | 0 | 0 | 112.5 | K266 K272 A273 L274 L883 E887 V890 | K266-Y270 PolarHBondContact O-N 3.17Å; Y270-K272 PolarHBondContact O-N 2.78Å; Y270-A273 PolarHBondContact O-N 3.06Å; Y270-L274 HydrophobicContact CE1-CD2 3.91Å; Y270-L274 WeakPolarHBondContact O-CB 3.17Å; Y270-L274 PolarHBondContact O-N 2.79Å; Y270-L883 HydrophobicContact CD2-CD1 3.93Å; Y270-L883 HydrophobicContact CE2-CD1 3.74Å; Y270-L883 HydrophobicContact CE2-CG 4.46Å; Y270-E887 HydrophobicContact CD2-CB 4.33Å; Y270-E887 HydrophobicContact CE2-CB 4.1Å; Y270-E887 HydrophobicContact CE2-CG 4.36Å; Y270-V890 HydrophobicContact CG-CG2 4.29Å |
| 271 | G | 83.5 | Confident | 85.5 | Confident | 22 Ų | 22 | 92.4 Ų | 92.4 | 23% | 0.227 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.3 | -17.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R267 H269 R275 | R267-G271 PolarHBondContact O-N 2.8Å; R267-G271 VanDerWaalsContact O-N 3.11Å; H269-G271 PolarHBondContact O-N 3.35Å; G271-R275 PolarHBondContact O-NE 2.8Å; G271-R275 PolarHBondContact O-NH2 2.92Å |
| 272 | K | 86.7 | Confident | 85.9 | Confident | 123 Ų | 123 | 90.6 Ų | 90.6 | 54% | 0.535 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -85.3 | -47.5 | 172.4 | -70.9 | 179.5 | 179 | 179.4 | 0 | 111.1 | H269 Y270 L274 R275 E276 | H269-K272 WeakPolarHBondContact O-CB 2.95Å; H269-K272 PolarHBondContact O-N 2.88Å; Y270-K272 PolarHBondContact O-N 2.78Å; K272-L274 VanDerWaalsContact C-N 3.34Å; K272-L274 PolarHBondContact O-N 3.34Å; K272-R275 WeakPolarHBondContact O-CB 3.37Å; K272-R275 PolarHBondContact O-N 3.49Å; K272-R275 VanDerWaalsContact O-N 3.17Å; K272-E276 PolarHBondContact O-N 3.48Å |
| 273 | A | 85.9 | Confident | 86.3 | Confident | 21 Ų | 21 | 89.1 Ų | 89.1 | 17% | 0.174 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H269 Y270 R275 E276 V277 L883 | H269-A273 PolarHBondContact O-N 3.47Å; Y270-A273 PolarHBondContact O-N 3.06Å; A273-R275 PolarHBondContact O-N 3.31Å; A273-E276 PolarHBondContact O-N 3.09Å; A273-V277 PolarHBondContact O-N 3.29Å; A273-L883 HydrophobicContact CB-CD1 3.81Å |
| 274 | L | 86.1 | Confident | 86.6 | Confident | 54 Ų | 54 | 88.7 Ų | 88.7 | 28% | 0.283 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59 | -35.4 | 177.2 | -177.4 | 63.1 | 0 | 0 | 0 | 112.5 | Y270 K272 E276 N278 L883 | Y270-L274 HydrophobicContact CE1-CD2 3.91Å; Y270-L274 WeakPolarHBondContact O-CB 3.17Å; Y270-L274 PolarHBondContact O-N 2.79Å; K272-L274 VanDerWaalsContact C-N 3.34Å; K272-L274 PolarHBondContact O-N 3.34Å; L274-E276 VanDerWaalsContact C-N 3.33Å; L274-E276 PolarHBondContact O-N 3.21Å; L274-N278 WeakPolarHBondContact O-CB 3.49Å; L274-N278 PolarHBondContact O-N 2.91Å; L274-N278 PolarHBondContact O-OD1 2.98Å; L274-L883 HydrophobicContact CB-CD1 4.17Å; L274-L883 HydrophobicContact CD1-CD2 4.33Å |
| 275 | R | 87 | Confident | 86.7 | Confident | 158 Ų | 158 | 83.8 Ų | 83.8 | 60% | 0.596 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.9 | -30.4 | 177.7 | -81.9 | -178.6 | -96.3 | 173.6 | -12.8 | 112.9 | G271 K272 A273 K279 | G271-R275 PolarHBondContact O-NE 2.8Å; G271-R275 PolarHBondContact O-NH2 2.92Å; K272-R275 WeakPolarHBondContact O-CB 3.37Å; K272-R275 PolarHBondContact O-N 3.49Å; K272-R275 VanDerWaalsContact O-N 3.17Å; A273-R275 PolarHBondContact O-N 3.31Å; R275-K279 WeakPolarHBondContact O-CD 3.5Å; R275-K279 VanDerWaalsContact O-CG 3.22Å; R275-K279 WeakPolarHBondContact O-CG 3.33Å; R275-K279 PolarHBondContact O-N 3.32Å |
| 276 | E | 88.2 | Confident | 86.9 | Confident | 89 Ų | 89 | 82 Ų | 82 | 42% | 0.416 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -74.3 | -43.4 | 176.7 | -64.9 | -175.7 | 178.6 | 0 | 0 | 111.2 | K272 A273 L274 K279 L280 K879 | K272-E276 PolarHBondContact O-N 3.48Å; A273-E276 PolarHBondContact O-N 3.09Å; L274-E276 VanDerWaalsContact C-N 3.33Å; L274-E276 PolarHBondContact O-N 3.21Å; E276-K279 PolarHBondContact O-N 3.15Å; E276-L280 PolarHBondContact O-N 3.42Å; E276-K879 WeakPolarHBondContact OE2-CE 3.24Å; E276-K879 IonicContact OE2-NZ 3.42Å; E276-K879 PolarHBondContact OE2-NZ 3.13Å |
| 277 | V | 87.5 | Confident | 87 | Confident | 6 Ų | 6 | 80.4 Ų | 80.4 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 176.5 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | A273 K279 L280 E281 K879 L883 | A273-V277 PolarHBondContact O-N 3.29Å; V277-K279 VanDerWaalsContact C-N 3.27Å; V277-K279 PolarHBondContact O-N 3.09Å; V277-L280 PolarHBondContact O-N 3.26Å; V277-L280 VanDerWaalsContact O-N 3.09Å; V277-E281 HydrophobicContact CG1-CG 4.45Å; V277-E281 PolarHBondContact O-N 3.36Å; V277-K879 HydrophobicContact CG2-CB 4.16Å; V277-L883 HydrophobicContact CB-CD2 4.37Å; V277-L883 HydrophobicContact CG1-CD2 4.49Å; V277-L883 HydrophobicContact CG2-CB 4.25Å; V277-L883 HydrophobicContact CG2-CD2 4.05Å |
| 278 | N | 86.3 | Confident | 87.2 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.6 | -34.1 | 178.5 | -72.5 | -2.7 | 0 | 0 | 0 | 112.8 | L274 E281 Q282 | L274-N278 WeakPolarHBondContact O-CB 3.49Å; L274-N278 PolarHBondContact O-N 2.91Å; L274-N278 PolarHBondContact O-OD1 2.98Å; N278-E281 PolarHBondContact O-N 3.44Å; N278-Q282 WeakPolarHBondContact O-CG 3.4Å; N278-Q282 PolarHBondContact O-N 3.46Å |
| 279 | K | 89.2 | Confident | 87.3 | Confident | 135 Ų | 135 | 73.1 Ų | 73.1 | 59% | 0.587 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.2 | -42.6 | 174.1 | -77.6 | 172.6 | -179.8 | -173.5 | 0 | 111.6 | R275 E276 V277 Q282 L283 | R275-K279 WeakPolarHBondContact O-CD 3.5Å; R275-K279 VanDerWaalsContact O-CG 3.22Å; R275-K279 WeakPolarHBondContact O-CG 3.33Å; R275-K279 PolarHBondContact O-N 3.32Å; E276-K279 PolarHBondContact O-N 3.15Å; V277-K279 VanDerWaalsContact C-N 3.27Å; V277-K279 PolarHBondContact O-N 3.09Å; K279-Q282 PolarHBondContact O-N 3.1Å; K279-L283 VanDerWaalsContact O-CG 3.31Å; K279-L283 WeakPolarHBondContact O-CG 3.22Å; K279-L283 PolarHBondContact O-N 3.08Å |
| 280 | L | 89.5 | Confident | 87.4 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 176.4 | -70.3 | 171.9 | 0 | 0 | 0 | 111.8 | E276 V277 L283 I284 L872 E875 K879 | E276-L280 PolarHBondContact O-N 3.42Å; V277-L280 PolarHBondContact O-N 3.26Å; V277-L280 VanDerWaalsContact O-N 3.09Å; L280-L283 PolarHBondContact O-N 3.03Å; L280-I284 VanDerWaalsContact O-CG1 3.28Å; L280-I284 WeakPolarHBondContact O-CG1 3.39Å; L280-I284 PolarHBondContact O-N 3.45Å; L280-L872 HydrophobicContact CD2-CD2 4.29Å; L280-E875 HydrophobicContact CD1-CB 4.34Å; L280-E875 HydrophobicContact CD2-CB 4.4Å; L280-K879 HydrophobicContact CD1-CB 4.11Å; L280-K879 HydrophobicContact CD1-CG 3.93Å |
| 281 | E | 85.8 | Confident | 87.5 | Confident | 87 Ų | 87 | 67.8 Ų | 67.8 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 175 | -73.2 | -174.4 | 165.2 | 0 | 0 | 112.6 | V277 N278 I284 N285 | V277-E281 HydrophobicContact CG1-CG 4.45Å; V277-E281 PolarHBondContact O-N 3.36Å; N278-E281 PolarHBondContact O-N 3.44Å; E281-I284 PolarHBondContact O-N 3.47Å; E281-N285 PolarHBondContact O-N 2.68Å |
| 282 | Q | 87.9 | Confident | 87.5 | Confident | 122 Ų | 122 | 71.3 Ų | 71.3 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.2 | -48 | 172.3 | -76.4 | 176.1 | -16.4 | 0 | 0 | 111.5 | N278 K279 I284 N285 E286 | N278-Q282 WeakPolarHBondContact O-CG 3.4Å; N278-Q282 PolarHBondContact O-N 3.46Å; K279-Q282 PolarHBondContact O-N 3.1Å; Q282-I284 VanDerWaalsContact C-N 3.32Å; Q282-I284 PolarHBondContact O-N 2.96Å; Q282-N285 PolarHBondContact O-N 2.97Å; Q282-E286 WeakPolarHBondContact O-CB 3.38Å; Q282-E286 VanDerWaalsContact O-CG 3.31Å; Q282-E286 WeakPolarHBondContact O-CG 3.3Å; Q282-E286 PolarHBondContact O-N 3.47Å |
| 283 | L | 91.2 | Very high | 87.6 | Confident | 79 Ų | 79 | 73.5 Ų | 73.5 | 41% | 0.414 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62 | -37 | 177.7 | -69.6 | 170.2 | 0 | 0 | 0 | 112.7 | K279 L280 Q287 L872 | K279-L283 VanDerWaalsContact O-CG 3.31Å; K279-L283 WeakPolarHBondContact O-CG 3.22Å; K279-L283 PolarHBondContact O-N 3.08Å; L280-L283 PolarHBondContact O-N 3.03Å; L283-Q287 VanDerWaalsContact O-CB 3.32Å; L283-Q287 WeakPolarHBondContact O-CB 3.49Å; L283-Q287 PolarHBondContact O-N 2.74Å; L283-L872 HydrophobicContact CB-CD1 4.29Å; L283-L872 HydrophobicContact CB-CD2 4.43Å; L283-L872 HydrophobicContact CD1-CD2 4.49Å |
| 284 | I | 89.3 | Confident | 87.7 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.036 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.6 | -47.4 | 175.2 | -70.8 | 165.3 | 0 | 0 | 0 | 110.4 | L280 E281 Q282 E286 Q287 E288 L869 L872 R873 R876 | L280-I284 VanDerWaalsContact O-CG1 3.28Å; L280-I284 WeakPolarHBondContact O-CG1 3.39Å; L280-I284 PolarHBondContact O-N 3.45Å; E281-I284 PolarHBondContact O-N 3.47Å; Q282-I284 VanDerWaalsContact C-N 3.32Å; Q282-I284 PolarHBondContact O-N 2.96Å; I284-E286 VanDerWaalsContact C-N 3.34Å; I284-E286 PolarHBondContact O-N 2.8Å; I284-Q287 PolarHBondContact O-N 3.41Å; I284-E288 HydrophobicContact CG2-CG 4.37Å; I284-E288 WeakPolarHBondContact O-CG 3.33Å; I284-E288 PolarHBondContact O-N 3.3Å; I284-L869 HydrophobicContact CG2-CD1 4.4Å; I284-L872 HydrophobicContact CD1-CB 4.42Å; I284-L872 HydrophobicContact CG1-CB 3.79Å; I284-R873 HydrophobicContact CD1-CG 4.34Å; I284-R876 HydrophobicContact CD1-CB 4.01Å; I284-R876 HydrophobicContact CD1-CG 4.29Å |
| 285 | N | 86.1 | Confident | 87.7 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 178.8 | -75.3 | -16 | 0 | 0 | 0 | 111.9 | E281 Q282 E288 S289 | E281-N285 PolarHBondContact O-N 2.68Å; Q282-N285 PolarHBondContact O-N 2.97Å; N285-E288 PolarHBondContact O-N 3.28Å; N285-S289 WeakPolarHBondContact O-CB 3.35Å; N285-S289 PolarHBondContact O-N 3.09Å |
| 286 | E | 88.2 | Confident | 87.7 | Confident | 109 Ų | 109 | 71 Ų | 71 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 173 | -74.8 | 172.4 | -173.9 | 0 | 0 | 110.5 | Q282 I284 E288 S289 D290 | Q282-E286 WeakPolarHBondContact O-CB 3.38Å; Q282-E286 VanDerWaalsContact O-CG 3.31Å; Q282-E286 WeakPolarHBondContact O-CG 3.3Å; Q282-E286 PolarHBondContact O-N 3.47Å; I284-E286 VanDerWaalsContact C-N 3.34Å; I284-E286 PolarHBondContact O-N 2.8Å; E286-E288 PolarHBondContact O-N 3.44Å; E286-S289 PolarHBondContact O-N 3.42Å; E286-S289 PolarHBondContact O-OG 3.49Å; E286-D290 PolarHBondContact O-N 3.08Å |
| 287 | Q | 88.5 | Confident | 87.6 | Confident | 36 Ų | 36 | 70 Ų | 70 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 178.6 | -165 | 71.2 | 14.9 | 0 | 0 | 113 | L283 I284 S289 D290 I291 M865 L869 L872 | L283-Q287 VanDerWaalsContact O-CB 3.32Å; L283-Q287 WeakPolarHBondContact O-CB 3.49Å; L283-Q287 PolarHBondContact O-N 2.74Å; I284-Q287 PolarHBondContact O-N 3.41Å; Q287-S289 VanDerWaalsContact C-N 3.34Å; Q287-D290 PolarHBondContact O-N 3.11Å; Q287-I291 WeakPolarHBondContact O-CG1 3.35Å; Q287-I291 PolarHBondContact O-N 2.79Å; Q287-I291 VanDerWaalsContact O-N 3.07Å; Q287-M865 PolarHBondContact NE2-O 2.82Å; Q287-L869 HydrophobicContact CB-CD1 4.25Å; Q287-L869 HydrophobicContact CG-CB 4.26Å; Q287-L869 HydrophobicContact CG-CD1 4.19Å; Q287-L872 HydrophobicContact CB-CD1 4.47Å |
| 288 | E | 86.7 | Confident | 87.7 | Confident | 67 Ų | 67 | 71.8 Ų | 71.8 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 175.2 | -71.8 | -174.4 | 171.5 | 0 | 0 | 111.7 | I284 N285 E286 I291 T292 L869 R873 | I284-E288 HydrophobicContact CG2-CG 4.37Å; I284-E288 WeakPolarHBondContact O-CG 3.33Å; I284-E288 PolarHBondContact O-N 3.3Å; N285-E288 PolarHBondContact O-N 3.28Å; E286-E288 PolarHBondContact O-N 3.44Å; E288-I291 PolarHBondContact O-N 3.12Å; E288-T292 WeakPolarHBondContact O-CB 3.28Å; E288-T292 PolarHBondContact O-N 3.29Å; E288-T292 PolarHBondContact O-OG1 3.08Å; E288-L869 HydrophobicContact CB-CD1 4.5Å; E288-L869 HydrophobicContact CG-CD1 3.33Å; E288-R873 IonicContact OE1-CZ 2.66Å; E288-R873 IonicContact OE1-NE 3.45Å; E288-R873 IonicContact OE1-NH2 3.49Å; E288-R873 PolarHBondContact OE1-NH2 3.06Å |
| 289 | S | 87.3 | Confident | 87.6 | Confident | 64 Ų | 64 | 73.4 Ų | 73.4 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66 | -39 | 175.8 | 82 | 0 | 0 | 0 | 0 | 112 | N285 E286 Q287 T292 R293 | N285-S289 WeakPolarHBondContact O-CB 3.35Å; N285-S289 PolarHBondContact O-N 3.09Å; E286-S289 PolarHBondContact O-N 3.42Å; E286-S289 PolarHBondContact O-OG 3.49Å; Q287-S289 VanDerWaalsContact C-N 3.34Å; S289-T292 PolarHBondContact O-N 3.44Å; S289-R293 WeakPolarHBondContact O-CB 3.24Å; S289-R293 PolarHBondContact O-N 3.07Å |
| 290 | D | 88.7 | Confident | 87.5 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 177 | -82.2 | -24.7 | 0 | 0 | 0 | 111.8 | E286 Q287 T292 R293 V294 M865 | E286-D290 PolarHBondContact O-N 3.08Å; Q287-D290 PolarHBondContact O-N 3.11Å; D290-T292 VanDerWaalsContact C-N 3.3Å; D290-T292 PolarHBondContact O-N 3.14Å; D290-R293 PolarHBondContact O-N 3.45Å; D290-R293 IonicContact OD1-CZ 3.75Å; D290-R293 VanDerWaalsContact OD1-CZ 3.32Å; D290-R293 IonicContact OD1-NH1 2.74Å; D290-R293 PolarHBondContact OD1-NH1 3.47Å; D290-R293 IonicContact OD1-NH2 3.78Å; D290-R293 PolarHBondContact OD1-NH2 3.35Å; D290-V294 WeakPolarHBondContact O-CG2 3.14Å; D290-V294 PolarHBondContact O-N 3.27Å; D290-M865 HydrophobicContact CB-CE 4.39Å |
| 291 | I | 88.2 | Confident | 87.6 | Confident | 11 Ų | 11 | 72.9 Ų | 72.9 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 172.7 | -67.8 | 168.2 | 0 | 0 | 0 | 110.5 | Q287 E288 R293 V294 K295 M865 E866 L869 | Q287-I291 WeakPolarHBondContact O-CG1 3.35Å; Q287-I291 PolarHBondContact O-N 2.79Å; Q287-I291 VanDerWaalsContact O-N 3.07Å; E288-I291 PolarHBondContact O-N 3.12Å; I291-R293 VanDerWaalsContact C-N 3.29Å; I291-R293 PolarHBondContact O-N 3.25Å; I291-V294 PolarHBondContact O-N 3.09Å; I291-K295 HydrophobicContact CG2-CD 4Å; I291-K295 HydrophobicContact CG2-CG 4.37Å; I291-K295 WeakPolarHBondContact O-CG 3.33Å; I291-K295 PolarHBondContact O-N 3.4Å; I291-M865 HydrophobicContact CD1-CB 4.15Å; I291-M865 HydrophobicContact CG1-CB 3.72Å; I291-M865 HydrophobicContact CG1-SD 4.3Å; I291-E866 HydrophobicContact CD1-CG 4.19Å; I291-L869 HydrophobicContact CD1-CD1 4.47Å |
| 292 | T | 84.3 | Confident | 87.7 | Confident | 96 Ų | 96 | 74.2 Ų | 74.2 | 59% | 0.589 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.1 | -30.6 | 179.5 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | E288 S289 D290 P296 | E288-T292 WeakPolarHBondContact O-CB 3.28Å; E288-T292 PolarHBondContact O-N 3.29Å; E288-T292 PolarHBondContact O-OG1 3.08Å; S289-T292 PolarHBondContact O-N 3.44Å; D290-T292 VanDerWaalsContact C-N 3.3Å; D290-T292 PolarHBondContact O-N 3.14Å; T292-P296 WeakPolarHBondContact O-CD 3.01Å |
| 293 | R | 87.7 | Confident | 87.6 | Confident | 169 Ų | 169 | 74.9 Ų | 74.9 | 64% | 0.638 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -72.8 | -34.2 | 175 | -164.7 | 173.4 | 80 | -130.2 | -2.9 | 113 | S289 D290 I291 | S289-R293 WeakPolarHBondContact O-CB 3.24Å; S289-R293 PolarHBondContact O-N 3.07Å; D290-R293 PolarHBondContact O-N 3.45Å; D290-R293 IonicContact OD1-CZ 3.75Å; D290-R293 VanDerWaalsContact OD1-CZ 3.32Å; D290-R293 IonicContact OD1-NH1 2.74Å; D290-R293 PolarHBondContact OD1-NH1 3.47Å; D290-R293 IonicContact OD1-NH2 3.78Å; D290-R293 PolarHBondContact OD1-NH2 3.35Å; I291-R293 VanDerWaalsContact C-N 3.29Å; I291-R293 PolarHBondContact O-N 3.25Å |
| 294 | V | 88.4 | Confident | 87.5 | Confident | 22 Ų | 22 | 75.2 Ų | 75.2 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -84.5 | -34 | -177.3 | 177.3 | 0 | 0 | 0 | 0 | 112.7 | D290 I291 N297 F298 F858 I862 M865 | D290-V294 WeakPolarHBondContact O-CG2 3.14Å; D290-V294 PolarHBondContact O-N 3.27Å; I291-V294 PolarHBondContact O-N 3.09Å; V294-N297 WeakPolarHBondContact O-CB 3.49Å; V294-N297 PolarHBondContact O-N 3.37Å; V294-F298 PolarHBondContact O-N 3.12Å; V294-F858 HydrophobicContact CG1-CD1 3.78Å; V294-F858 HydrophobicContact CG1-CE1 4.08Å; V294-I862 HydrophobicContact CG1-CD1 4.49Å; V294-I862 HydrophobicContact CG1-CG1 4.14Å; V294-M865 HydrophobicContact CG2-CE 4.33Å; V294-M865 HydrophobicContact CG2-SD 4.4Å |
| 295 | K | 85.7 | Confident | 87.5 | Confident | 94 Ų | 94 | 75.2 Ų | 75.2 | 41% | 0.409 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -52.1 | -44.2 | -178.6 | -86.5 | 176.5 | 178.4 | 173.6 | 0 | 115 | I291 N297 F298 I299 | I291-K295 HydrophobicContact CG2-CD 4Å; I291-K295 HydrophobicContact CG2-CG 4.37Å; I291-K295 WeakPolarHBondContact O-CG 3.33Å; I291-K295 PolarHBondContact O-N 3.4Å; K295-N297 VanDerWaalsContact C-N 3.29Å; K295-N297 PolarHBondContact O-N 2.8Å; K295-F298 WeakPolarHBondContact O-CB 3.44Å; K295-F298 PolarHBondContact O-N 3.37Å; K295-I299 WeakPolarHBondContact O-CG1 2.82Å; K295-I299 PolarHBondContact O-N 2.73Å; K295-I299 VanDerWaalsContact O-N 3.09Å |
| 296 | P | 86.1 | Confident | 87.7 | Confident | 64 Ų | 64 | 77.7 Ų | 77.7 | 42% | 0.416 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -34.8 | 176.4 | -25.8 | 34.6 | 0 | 0 | 0 | 113.8 | T292 I299 K300 | T292-P296 WeakPolarHBondContact O-CD 3.01Å; P296-I299 PolarHBondContact O-N 3.01Å; P296-K300 WeakPolarHBondContact O-CG 3.29Å; P296-K300 PolarHBondContact O-N 3.35Å; P296-K300 VanDerWaalsContact O-N 3.09Å |
| 297 | N | 87 | Confident | 87.7 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -71.7 | -38.3 | 178.4 | -67.1 | -24.2 | 0 | 0 | 0 | 111.5 | V294 K295 I299 K300 V301 F858 | V294-N297 WeakPolarHBondContact O-CB 3.49Å; V294-N297 PolarHBondContact O-N 3.37Å; K295-N297 VanDerWaalsContact C-N 3.29Å; K295-N297 PolarHBondContact O-N 2.8Å; N297-I299 VanDerWaalsContact C-N 3.33Å; N297-I299 PolarHBondContact O-N 3.22Å; N297-K300 PolarHBondContact O-N 2.87Å; N297-V301 WeakPolarHBondContact O-CG2 3.32Å; N297-V301 PolarHBondContact O-N 2.94Å; N297-F858 HydrophobicContact CB-CE1 4.17Å; N297-F858 HydrophobicContact CB-CZ 4.19Å |
| 298 | F | 89.2 | Confident | 87.7 | Confident | 43 Ų | 43 | 76.7 Ų | 76.7 | 19% | 0.189 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59 | -43.2 | 170.9 | 167.3 | -106.2 | 0 | 0 | 0 | 111.9 | V294 K295 K300 V301 K302 E855 F858 I859 I862 | V294-F298 PolarHBondContact O-N 3.12Å; K295-F298 WeakPolarHBondContact O-CB 3.44Å; K295-F298 PolarHBondContact O-N 3.37Å; F298-K300 VanDerWaalsContact C-N 3.35Å; F298-K300 PolarHBondContact O-N 3.27Å; F298-V301 PolarHBondContact O-N 2.98Å; F298-K302 HydrophobicContact CE1-CD 4.35Å; F298-K302 HydrophobicContact CZ-CD 4.14Å; F298-K302 WeakPolarHBondContact O-CB 3.48Å; F298-K302 PolarHBondContact O-N 2.94Å; F298-E855 HydrophobicContact CE2-CG 4.06Å; F298-F858 HydrophobicContact CB-CB 4.24Å; F298-F858 HydrophobicContact CD2-CB 3.98Å; F298-I859 HydrophobicContact CD2-CG1 4.42Å; F298-I859 HydrophobicContact CE2-CD1 4.22Å; F298-I859 HydrophobicContact CE2-CG1 3.72Å; F298-I859 HydrophobicContact CZ-CG1 4.38Å; F298-I862 HydrophobicContact CB-CD1 3.94Å; F298-I862 HydrophobicContact CD1-CD1 4.45Å; F298-I862 HydrophobicContact CG-CD1 4.07Å |
| 299 | I | 85 | Confident | 87.8 | Confident | 103 Ų | 103 | 76.7 Ų | 76.7 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 177.1 | -64.7 | 168 | 0 | 0 | 0 | 111 | K295 P296 N297 K302 E303 | K295-I299 WeakPolarHBondContact O-CG1 2.82Å; K295-I299 PolarHBondContact O-N 2.73Å; K295-I299 VanDerWaalsContact O-N 3.09Å; P296-I299 PolarHBondContact O-N 3.01Å; N297-I299 VanDerWaalsContact C-N 3.33Å; N297-I299 PolarHBondContact O-N 3.22Å; I299-K302 PolarHBondContact O-N 2.88Å; I299-E303 PolarHBondContact O-N 3.37Å |
| 300 | K | 87.9 | Confident | 87.9 | Confident | 129 Ų | 129 | 81.1 Ų | 81.1 | 56% | 0.561 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.5 | -48.4 | 175.9 | -71.3 | 174.7 | -177.7 | 176.8 | 0 | 112.3 | P296 N297 F298 K302 E303 N304 | P296-K300 WeakPolarHBondContact O-CG 3.29Å; P296-K300 PolarHBondContact O-N 3.35Å; P296-K300 VanDerWaalsContact O-N 3.09Å; N297-K300 PolarHBondContact O-N 2.87Å; F298-K300 VanDerWaalsContact C-N 3.35Å; F298-K300 PolarHBondContact O-N 3.27Å; K300-K302 VanDerWaalsContact C-N 3.34Å; K300-K302 PolarHBondContact O-N 3.48Å; K300-E303 PolarHBondContact O-N 2.83Å; K300-N304 VanDerWaalsContact O-CG 3.3Å; K300-N304 PolarHBondContact O-N 3.42Å |
| 301 | V | 90.1 | Very high | 87.8 | Confident | 13 Ų | 13 | 83.2 Ų | 83.2 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 178.6 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | N297 F298 E303 N304 V305 E854 E855 F858 | N297-V301 WeakPolarHBondContact O-CG2 3.32Å; N297-V301 PolarHBondContact O-N 2.94Å; F298-V301 PolarHBondContact O-N 2.98Å; V301-E303 VanDerWaalsContact C-N 3.33Å; V301-E303 PolarHBondContact O-N 3.18Å; V301-N304 WeakPolarHBondContact O-CB 3.49Å; V301-N304 PolarHBondContact O-N 3.41Å; V301-V305 HydrophobicContact CG1-CG2 4.48Å; V301-V305 WeakPolarHBondContact O-CG2 3.46Å; V301-V305 PolarHBondContact O-N 2.89Å; V301-E854 HydrophobicContact CG1-CB 4.04Å; V301-E855 HydrophobicContact CG1-CB 4.11Å; V301-F858 HydrophobicContact CB-CD2 4.5Å; V301-F858 HydrophobicContact CG2-CD2 4.03Å; V301-F858 HydrophobicContact CG2-CE2 3.76Å |
| 302 | K | 88.4 | Confident | 87.9 | Confident | 115 Ų | 115 | 83.5 Ų | 83.5 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 177.5 | -174.3 | 174.6 | -176.4 | 173.8 | 0 | 113 | F298 I299 K300 R306 | F298-K302 HydrophobicContact CE1-CD 4.35Å; F298-K302 HydrophobicContact CZ-CD 4.14Å; F298-K302 WeakPolarHBondContact O-CB 3.48Å; F298-K302 PolarHBondContact O-N 2.94Å; I299-K302 PolarHBondContact O-N 2.88Å; K300-K302 VanDerWaalsContact C-N 3.34Å; K300-K302 PolarHBondContact O-N 3.48Å; K302-R306 PolarHBondContact O-N 2.85Å |
| 303 | E | 86.3 | Confident | 88.2 | Confident | 137 Ų | 137 | 85.9 Ų | 85.9 | 64% | 0.64 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.4 | -39.2 | 175.5 | -167.1 | 168.4 | -168.5 | 0 | 0 | 111.8 | I299 K300 V301 R306 H307 | I299-E303 PolarHBondContact O-N 3.37Å; K300-E303 PolarHBondContact O-N 2.83Å; V301-E303 VanDerWaalsContact C-N 3.33Å; V301-E303 PolarHBondContact O-N 3.18Å; E303-R306 PolarHBondContact O-N 3.37Å; E303-H307 PolarHBondContact O-N 2.83Å |
| 304 | N | 88.3 | Confident | 88.2 | Confident | 85 Ų | 85 | 80.8 Ų | 80.8 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 174.3 | -68.9 | -14.2 | 0 | 0 | 0 | 112.4 | K300 V301 R306 H307 S308 L851 | K300-N304 VanDerWaalsContact O-CG 3.3Å; K300-N304 PolarHBondContact O-N 3.42Å; V301-N304 WeakPolarHBondContact O-CB 3.49Å; V301-N304 PolarHBondContact O-N 3.41Å; N304-R306 VanDerWaalsContact C-N 3.32Å; N304-R306 PolarHBondContact O-N 2.95Å; N304-H307 WeakPolarHBondContact O-CB 3.04Å; N304-H307 PolarHBondContact O-N 3.42Å; N304-H307 VanDerWaalsContact O-N 3.15Å; N304-S308 PolarHBondContact O-N 2.98Å; N304-L851 HydrophobicContact CB-CD1 4.1Å; N304-L851 HydrophobicContact CB-CD2 4.13Å |
| 305 | V | 90.6 | Very high | 88.2 | Confident | 8 Ų | 8 | 82.5 Ų | 82.5 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.6 | -49.2 | 172.9 | 170.8 | 0 | 0 | 0 | 0 | 110 | V301 H307 S308 E309 L848 L851 R852 | V301-V305 HydrophobicContact CG1-CG2 4.48Å; V301-V305 WeakPolarHBondContact O-CG2 3.46Å; V301-V305 PolarHBondContact O-N 2.89Å; V305-H307 VanDerWaalsContact C-N 3.29Å; V305-H307 PolarHBondContact O-N 2.79Å; V305-S308 PolarHBondContact O-N 3.33Å; V305-E309 WeakPolarHBondContact O-CG 3.08Å; V305-E309 PolarHBondContact O-N 2.81Å; V305-L848 HydrophobicContact CG1-CD1 4.01Å; V305-L851 HydrophobicContact CG2-CB 3.7Å; V305-R852 HydrophobicContact CG1-CG 4.29Å |
| 306 | R | 89.3 | Confident | 88.4 | Confident | 153 Ų | 153 | 81.1 Ų | 81.1 | 58% | 0.577 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.2 | -33.8 | 178.7 | -167.8 | -176.6 | -176.8 | -165.3 | 3.4 | 112.7 | K302 E303 N304 R310 | K302-R306 PolarHBondContact O-N 2.85Å; E303-R306 PolarHBondContact O-N 3.37Å; N304-R306 VanDerWaalsContact C-N 3.32Å; N304-R306 PolarHBondContact O-N 2.95Å; R306-R310 WeakPolarHBondContact O-CG 3.5Å; R306-R310 PolarHBondContact O-N 3Å |
| 307 | H | 87.7 | Confident | 88.4 | Confident | 121 Ų | 121 | 84.8 Ų | 84.8 | 56% | 0.56 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -68.7 | -49.7 | 175.9 | -175 | 77.4 | 0 | 0 | 0 | 111.7 | E303 N304 V305 E309 R310 K311 | E303-H307 PolarHBondContact O-N 2.83Å; N304-H307 WeakPolarHBondContact O-CB 3.04Å; N304-H307 PolarHBondContact O-N 3.42Å; N304-H307 VanDerWaalsContact O-N 3.15Å; V305-H307 VanDerWaalsContact C-N 3.29Å; V305-H307 PolarHBondContact O-N 2.79Å; H307-E309 VanDerWaalsContact C-N 3.34Å; H307-E309 PolarHBondContact O-N 3.39Å; H307-R310 PolarHBondContact O-N 3.48Å; H307-K311 PolarHBondContact O-N 3.5Å; H307-K311 VanDerWaalsContact O-N 3.1Å |
| 308 | S | 88 | Confident | 88.4 | Confident | 4 Ų | 4 | 83.2 Ų | 83.2 | 3% | 0.028 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 178.1 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | N304 V305 R310 K311 L312 E844 | N304-S308 PolarHBondContact O-N 2.98Å; V305-S308 PolarHBondContact O-N 3.33Å; S308-R310 VanDerWaalsContact C-N 3.35Å; S308-R310 PolarHBondContact O-N 3.06Å; S308-K311 PolarHBondContact O-N 2.88Å; S308-L312 WeakPolarHBondContact O-CB 3.43Å; S308-L312 PolarHBondContact O-N 3.24Å; S308-E844 PolarHBondContact OG-OE2 3.09Å |
| 309 | E | 90 | Very high | 88.4 | Confident | 67 Ų | 67 | 81.8 Ų | 81.8 | 31% | 0.313 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 173.2 | -76.7 | -175.9 | 166 | 0 | 0 | 113.5 | V305 H307 K313 L848 R852 | V305-E309 WeakPolarHBondContact O-CG 3.08Å; V305-E309 PolarHBondContact O-N 2.81Å; H307-E309 VanDerWaalsContact C-N 3.34Å; H307-E309 PolarHBondContact O-N 3.39Å; E309-K313 WeakPolarHBondContact O-CG 3.31Å; E309-K313 PolarHBondContact O-N 3.44Å; E309-K313 VanDerWaalsContact O-N 3.17Å; E309-L848 HydrophobicContact CG-CD1 3.66Å; E309-L848 HydrophobicContact CG-CD2 3.99Å; E309-R852 IonicContact OE1-CZ 3.95Å; E309-R852 IonicContact OE1-NE 3.26Å; E309-R852 IonicContact OE1-NH2 2.79Å; E309-R852 PolarHBondContact OE1-NH2 2.9Å |
| 310 | R | 89 | Confident | 88.5 | Confident | 157 Ų | 157 | 81.5 Ų | 81.5 | 59% | 0.592 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -69.1 | -39.4 | 176.7 | -73.8 | 175.5 | 176.8 | 174.1 | -2.3 | 111.4 | R306 H307 S308 K313 A314 | R306-R310 WeakPolarHBondContact O-CG 3.5Å; R306-R310 PolarHBondContact O-N 3Å; H307-R310 PolarHBondContact O-N 3.48Å; S308-R310 VanDerWaalsContact C-N 3.35Å; S308-R310 PolarHBondContact O-N 3.06Å; R310-K313 PolarHBondContact O-N 3.01Å; R310-A314 PolarHBondContact O-N 3.47Å; R310-A314 VanDerWaalsContact O-N 3.17Å |
| 311 | K | 87.3 | Confident | 88.4 | Confident | 86 Ų | 86 | 79.2 Ų | 79.2 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 179.5 | -163.3 | 171.6 | 172.7 | -154.2 | 0 | 111.3 | H307 S308 A314 F315 E844 | H307-K311 PolarHBondContact O-N 3.5Å; H307-K311 VanDerWaalsContact O-N 3.1Å; S308-K311 PolarHBondContact O-N 2.88Å; K311-A314 WeakPolarHBondContact O-CB 3.4Å; K311-A314 PolarHBondContact O-N 3.13Å; K311-F315 HydrophobicContact CD-CE2 4.24Å; K311-F315 HydrophobicContact CG-CD2 4.09Å; K311-F315 HydrophobicContact CG-CE2 3.66Å; K311-F315 HydrophobicContact CG-CZ 4.4Å; K311-F315 WeakPolarHBondContact O-CD2 3.5Å; K311-F315 PolarHBondContact O-N 3.43Å; K311-E844 WeakPolarHBondContact CD-OE1 3.36Å; K311-E844 WeakPolarHBondContact CE-OE1 3.48Å; K311-E844 HydrophobicContact CG-CG 4.42Å; K311-E844 IonicContact NZ-OE1 3.84Å; K311-E844 PolarHBondContact NZ-OE1 2.85Å |
| 312 | L | 90.6 | Very high | 88.2 | Confident | 17 Ų | 17 | 79.3 Ų | 79.3 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.6 | -49 | 172.2 | 179.2 | 61.7 | 0 | 0 | 0 | 111.7 | S308 A314 F315 E316 V841 E844 R845 L848 | S308-L312 WeakPolarHBondContact O-CB 3.43Å; S308-L312 PolarHBondContact O-N 3.24Å; L312-A314 VanDerWaalsContact C-N 3.26Å; L312-A314 PolarHBondContact O-N 3.06Å; L312-F315 PolarHBondContact O-N 3.38Å; L312-F315 VanDerWaalsContact O-N 3.15Å; L312-E316 HydrophobicContact CD1-CG 4.07Å; L312-E316 HydrophobicContact CG-CG 4.29Å; L312-E316 WeakPolarHBondContact O-CB 3.33Å; L312-E316 WeakPolarHBondContact O-CG 3.21Å; L312-E316 PolarHBondContact O-N 3.21Å; L312-V841 HydrophobicContact CD1-CG1 4Å; L312-E844 HydrophobicContact CD1-CB 4.34Å; L312-R845 HydrophobicContact CD1-CG 3.56Å; L312-R845 HydrophobicContact CD2-CG 3.9Å; L312-R845 HydrophobicContact CG-CG 4.41Å; L312-L848 HydrophobicContact CD2-CD2 3.78Å |
| 313 | K | 88.8 | Confident | 88.1 | Confident | 147 Ų | 147 | 79.9 Ų | 79.9 | 64% | 0.639 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.9 | -36.2 | 176.8 | -76.5 | -179.1 | 179.6 | -178.6 | 0 | 113.1 | E309 R310 K317 | E309-K313 WeakPolarHBondContact O-CG 3.31Å; E309-K313 PolarHBondContact O-N 3.44Å; E309-K313 VanDerWaalsContact O-N 3.17Å; R310-K313 PolarHBondContact O-N 3.01Å; K313-K317 PolarHBondContact O-N 2.85Å |
| 314 | A | 88.6 | Confident | 88.2 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 51% | 0.512 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.5 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R310 K311 L312 K317 A318 | R310-A314 PolarHBondContact O-N 3.47Å; R310-A314 VanDerWaalsContact O-N 3.17Å; K311-A314 WeakPolarHBondContact O-CB 3.4Å; K311-A314 PolarHBondContact O-N 3.13Å; L312-A314 VanDerWaalsContact C-N 3.26Å; L312-A314 PolarHBondContact O-N 3.06Å; A314-K317 PolarHBondContact O-N 3.22Å; A314-A318 PolarHBondContact O-N 3.41Å |
| 315 | F | 89 | Confident | 88 | Confident | 57 Ų | 57 | 80.5 Ų | 80.5 | 25% | 0.25 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 176.1 | -71.4 | -50.7 | 0 | 0 | 0 | 113.2 | K311 L312 A318 C319 V841 E844 | K311-F315 HydrophobicContact CD-CE2 4.24Å; K311-F315 HydrophobicContact CG-CD2 4.09Å; K311-F315 HydrophobicContact CG-CE2 3.66Å; K311-F315 HydrophobicContact CG-CZ 4.4Å; K311-F315 WeakPolarHBondContact O-CD2 3.5Å; K311-F315 PolarHBondContact O-N 3.43Å; L312-F315 PolarHBondContact O-N 3.38Å; L312-F315 VanDerWaalsContact O-N 3.15Å; F315-A318 PolarHBondContact O-N 2.89Å; F315-C319 WeakPolarHBondContact O-CB 3.44Å; F315-C319 PolarHBondContact O-N 2.94Å; F315-V841 HydrophobicContact CB-CG2 3.66Å; F315-E844 HydrophobicContact CD2-CB 4.42Å; F315-E844 HydrophobicContact CD2-CG 3.68Å; F315-E844 HydrophobicContact CE2-CG 3.59Å |
| 316 | E | 88.9 | Confident | 87.7 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.4 | -75.4 | 178.1 | 158.7 | 0 | 0 | 111.2 | L312 A318 C319 E320 V841 R845 | L312-E316 HydrophobicContact CD1-CG 4.07Å; L312-E316 HydrophobicContact CG-CG 4.29Å; L312-E316 WeakPolarHBondContact O-CB 3.33Å; L312-E316 WeakPolarHBondContact O-CG 3.21Å; L312-E316 PolarHBondContact O-N 3.21Å; E316-A318 VanDerWaalsContact C-N 3.34Å; E316-A318 PolarHBondContact O-N 2.98Å; E316-C319 WeakPolarHBondContact O-CB 3.34Å; E316-C319 PolarHBondContact O-N 3.47Å; E316-E320 PolarHBondContact O-N 2.85Å; E316-V841 HydrophobicContact CG-CG1 4.27Å; E316-R845 IonicContact OE1-CZ 3.74Å; E316-R845 IonicContact OE1-NE 3.12Å; E316-R845 IonicContact OE1-NH2 3.01Å; E316-R845 PolarHBondContact OE1-NH2 3.45Å |
| 317 | K | 87.2 | Confident | 87.5 | Confident | 142 Ų | 142 | 79.4 Ų | 79.4 | 62% | 0.617 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.3 | -36.7 | 175.5 | -167.9 | 176.1 | -177.9 | 179.1 | 0 | 112.6 | K313 A314 N321 | K313-K317 PolarHBondContact O-N 2.85Å; A314-K317 PolarHBondContact O-N 3.22Å; K317-N321 PolarHBondContact O-N 3.08Å |
| 318 | A | 86.8 | Confident | 87.4 | Confident | 37 Ų | 37 | 81 Ų | 81 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A314 F315 E316 N321 A322 I837 | A314-A318 PolarHBondContact O-N 3.41Å; F315-A318 PolarHBondContact O-N 2.89Å; E316-A318 VanDerWaalsContact C-N 3.34Å; E316-A318 PolarHBondContact O-N 2.98Å; A318-N321 PolarHBondContact O-N 3.37Å; A318-A322 WeakPolarHBondContact O-CB 3.14Å; A318-A322 PolarHBondContact O-N 3.05Å; A318-I837 HydrophobicContact CB-CG2 4.17Å |
| 319 | C | 88.1 | Confident | 87.2 | Confident | 12 Ų | 12 | 81.6 Ų | 81.6 | 8% | 0.081 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 175.6 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | F315 E316 N321 A322 R323 I837 E838 V841 | F315-C319 WeakPolarHBondContact O-CB 3.44Å; F315-C319 PolarHBondContact O-N 2.94Å; E316-C319 WeakPolarHBondContact O-CB 3.34Å; E316-C319 PolarHBondContact O-N 3.47Å; C319-N321 PolarHBondContact O-N 3.22Å; C319-A322 PolarHBondContact O-N 3.43Å; C319-R323 WeakPolarHBondContact O-CG 3.32Å; C319-R323 PolarHBondContact O-N 3.21Å; C319-I837 HydrophobicContact CB-CG2 3.91Å; C319-E838 VanDerWaalsContact SG-CG 3.55Å; C319-V841 HydrophobicContact CB-CG2 4.16Å |
| 320 | E | 87.2 | Confident | 86.9 | Confident | 98 Ų | 98 | 82.3 Ų | 82.3 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 177.4 | -165.2 | -176.1 | 172.5 | 0 | 0 | 112 | E316 R323 R324 | E316-E320 PolarHBondContact O-N 2.85Å; E320-R323 PolarHBondContact O-N 3.25Å; E320-R324 WeakPolarHBondContact O-CG 3.42Å; E320-R324 PolarHBondContact O-N 2.69Å; E320-R324 VanDerWaalsContact O-N 3.1Å; E320-R324 IonicContact OE1-CZ 3.47Å; E320-R324 IonicContact OE1-NE 3.64Å; E320-R324 IonicContact OE1-NH2 3.7Å; E320-R324 PolarHBondContact OE1-NH2 3.47Å |
| 321 | N | 86 | Confident | 86.8 | Confident | 81 Ų | 81 | 80.3 Ų | 80.3 | 43% | 0.433 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 175.2 | -72.1 | -15.7 | 0 | 0 | 0 | 112.3 | K317 A318 C319 R324 N325 | K317-N321 PolarHBondContact O-N 3.08Å; A318-N321 PolarHBondContact O-N 3.37Å; C319-N321 PolarHBondContact O-N 3.22Å; N321-R324 PolarHBondContact O-N 2.78Å; N321-N325 PolarHBondContact O-N 3.37Å; N321-N325 VanDerWaalsContact O-N 3.16Å |
| 322 | A | 85.4 | Confident | 86.7 | Confident | 15 Ų | 15 | 79.9 Ų | 79.9 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A318 C319 N325 V326 L834 I837 | A318-A322 WeakPolarHBondContact O-CB 3.14Å; A318-A322 PolarHBondContact O-N 3.05Å; C319-A322 PolarHBondContact O-N 3.43Å; A322-N325 PolarHBondContact O-N 2.79Å; A322-V326 WeakPolarHBondContact O-CG2 3.24Å; A322-V326 PolarHBondContact O-N 2.79Å; A322-L834 HydrophobicContact CB-CD1 3.89Å; A322-I837 HydrophobicContact CB-CD1 4.04Å |
| 323 | R | 87.3 | Confident | 86.4 | Confident | 126 Ų | 126 | 80.4 Ų | 80.4 | 48% | 0.475 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 174.3 | -76.7 | -174.7 | -175.8 | -163.2 | 0 | 112 | C319 E320 N325 V326 E327 L834 E838 | C319-R323 WeakPolarHBondContact O-CG 3.32Å; C319-R323 PolarHBondContact O-N 3.21Å; E320-R323 PolarHBondContact O-N 3.25Å; R323-N325 PolarHBondContact O-N 3.49Å; R323-V326 PolarHBondContact O-N 3.49Å; R323-V326 VanDerWaalsContact O-N 3.1Å; R323-E327 WeakPolarHBondContact O-CG 3.47Å; R323-E327 PolarHBondContact O-N 3.05Å; R323-L834 HydrophobicContact CG-CD1 3.59Å; R323-L834 HydrophobicContact CG-CD2 4.07Å; R323-E838 IonicContact CZ-OE1 3.52Å; R323-E838 VanDerWaalsContact CZ-OE1 3.32Å; R323-E838 IonicContact NE-OE1 2.78Å; R323-E838 PolarHBondContact NE-OE1 3.5Å; R323-E838 VanDerWaalsContact NE-OE1 3.08Å; R323-E838 IonicContact NH2-OE1 3.57Å; R323-E838 PolarHBondContact NH2-OE1 3.1Å |
| 324 | R | 87.4 | Confident | 86.3 | Confident | 136 Ų | 136 | 79.8 Ų | 79.8 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.5 | -35.8 | 176.9 | -70.4 | 178.5 | -169.8 | 175.1 | 3.3 | 112.6 | E320 N321 R328 | E320-R324 WeakPolarHBondContact O-CG 3.42Å; E320-R324 PolarHBondContact O-N 2.69Å; E320-R324 VanDerWaalsContact O-N 3.1Å; E320-R324 IonicContact OE1-CZ 3.47Å; E320-R324 IonicContact OE1-NE 3.64Å; E320-R324 IonicContact OE1-NH2 3.7Å; E320-R324 PolarHBondContact OE1-NH2 3.47Å; N321-R324 PolarHBondContact O-N 2.78Å; R324-R328 WeakPolarHBondContact O-CB 3.31Å; R324-R328 PolarHBondContact O-N 3.34Å |
| 325 | N | 83.9 | Confident | 86.2 | Confident | 100 Ų | 100 | 82.6 Ų | 82.6 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 175.4 | -71.6 | -7.5 | 0 | 0 | 0 | 111.9 | N321 A322 R323 R328 H329 | N321-N325 PolarHBondContact O-N 3.37Å; N321-N325 VanDerWaalsContact O-N 3.16Å; A322-N325 PolarHBondContact O-N 2.79Å; R323-N325 PolarHBondContact O-N 3.49Å; N325-R328 PolarHBondContact O-N 3.49Å; N325-H329 WeakPolarHBondContact O-CB 3.32Å; N325-H329 PolarHBondContact O-N 3.36Å |
| 326 | V | 84.2 | Confident | 86 | Confident | 23 Ų | 23 | 81 Ų | 81 | 14% | 0.139 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | A322 R323 H329 N330 C830 L834 | A322-V326 WeakPolarHBondContact O-CG2 3.24Å; A322-V326 PolarHBondContact O-N 2.79Å; R323-V326 PolarHBondContact O-N 3.49Å; R323-V326 VanDerWaalsContact O-N 3.1Å; V326-H329 PolarHBondContact O-N 3.18Å; V326-N330 WeakPolarHBondContact O-CB 3.31Å; V326-N330 PolarHBondContact O-N 3.49Å; V326-C830 HydrophobicContact CG2-CB 4.24Å; V326-L834 HydrophobicContact CB-CD2 4.48Å; V326-L834 HydrophobicContact CG2-CB 4.16Å; V326-L834 HydrophobicContact CG2-CD2 4.09Å |
| 327 | E | 86.1 | Confident | 85.8 | Confident | 114 Ų | 114 | 81.5 Ų | 81.5 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 174.6 | -75.5 | 169.3 | -176.8 | 0 | 0 | 110.9 | R323 H329 N330 E331 | R323-E327 WeakPolarHBondContact O-CG 3.47Å; R323-E327 PolarHBondContact O-N 3.05Å; E327-H329 VanDerWaalsContact C-N 3.31Å; E327-H329 PolarHBondContact O-N 3.1Å; E327-N330 PolarHBondContact O-N 2.85Å; E327-E331 WeakPolarHBondContact O-CG 3.5Å; E327-E331 PolarHBondContact O-N 2.86Å |
| 328 | R | 86.4 | Confident | 85.8 | Confident | 156 Ų | 156 | 77.4 Ų | 77.4 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.9 | -39.2 | 177.3 | -164 | -175.6 | 79 | 158.8 | 5.5 | 112.6 | R324 N325 Q332 | R324-R328 WeakPolarHBondContact O-CB 3.31Å; R324-R328 PolarHBondContact O-N 3.34Å; N325-R328 PolarHBondContact O-N 3.49Å; R328-Q332 WeakPolarHBondContact O-CG 3.34Å; R328-Q332 PolarHBondContact O-N 3.44Å; R328-Q332 VanDerWaalsContact O-N 3.17Å |
| 329 | H | 83.3 | Confident | 85.7 | Confident | 16 Ų | 16 | 80.2 Ų | 80.2 | 7% | 0.074 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 177.4 | -172.4 | -40.6 | 0 | 0 | 0 | 111.5 | N325 V326 E327 Q332 L333 Q825 C830 | N325-H329 WeakPolarHBondContact O-CB 3.32Å; N325-H329 PolarHBondContact O-N 3.36Å; V326-H329 PolarHBondContact O-N 3.18Å; E327-H329 VanDerWaalsContact C-N 3.31Å; E327-H329 PolarHBondContact O-N 3.1Å; H329-Q332 PolarHBondContact O-N 3.03Å; H329-L333 WeakPolarHBondContact O-CG 3.5Å; H329-L333 PolarHBondContact O-N 2.91Å; H329-Q825 PolarHBondContact CE1-O 3.16Å; H329-Q825 PolarHBondContact NE2-O 3.2Å; H329-C830 VanDerWaalsContact CD2-SG 3.55Å |
| 330 | N | 84.3 | Confident | 85.6 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 176.2 | -75.8 | -12.4 | 0 | 0 | 0 | 111.7 | V326 E327 Q332 L333 E334 | V326-N330 WeakPolarHBondContact O-CB 3.31Å; V326-N330 PolarHBondContact O-N 3.49Å; E327-N330 PolarHBondContact O-N 2.85Å; N330-Q332 VanDerWaalsContact C-N 3.26Å; N330-Q332 PolarHBondContact O-N 2.89Å; N330-L333 PolarHBondContact O-N 2.83Å; N330-L333 VanDerWaalsContact O-N 3.15Å; N330-E334 PolarHBondContact O-N 3.15Å |
| 331 | E | 86.6 | Confident | 85.5 | Confident | 114 Ų | 114 | 83 Ų | 83 | 53% | 0.533 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.9 | -40.1 | 173.4 | -74.5 | 175.4 | 176.5 | 0 | 0 | 111.6 | E327 Q335 | E327-E331 WeakPolarHBondContact O-CG 3.5Å; E327-E331 PolarHBondContact O-N 2.86Å; E331-Q335 VanDerWaalsContact O-CG 3.27Å; E331-Q335 WeakPolarHBondContact O-CG 3.41Å; E331-Q335 PolarHBondContact O-N 3.18Å |
| 332 | Q | 84 | Confident | 85.6 | Confident | 78 Ų | 78 | 85 Ų | 85 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 175.5 | -73.4 | 176.5 | -32 | 0 | 0 | 112.4 | R328 H329 N330 Q335 L336 | R328-Q332 WeakPolarHBondContact O-CG 3.34Å; R328-Q332 PolarHBondContact O-N 3.44Å; R328-Q332 VanDerWaalsContact O-N 3.17Å; H329-Q332 PolarHBondContact O-N 3.03Å; N330-Q332 VanDerWaalsContact C-N 3.26Å; N330-Q332 PolarHBondContact O-N 2.89Å; Q332-Q335 PolarHBondContact O-N 3.07Å; Q332-L336 WeakPolarHBondContact O-CG 3.45Å; Q332-L336 PolarHBondContact O-N 3.14Å; Q332-L336 VanDerWaalsContact O-N 3.08Å |
| 333 | L | 85.7 | Confident | 85.5 | Confident | 27 Ų | 27 | 85 Ų | 85 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 174.7 | -74.1 | 174.3 | 0 | 0 | 0 | 111.6 | H329 N330 Q335 L336 E337 L822 Q825 K826 | H329-L333 WeakPolarHBondContact O-CG 3.5Å; H329-L333 PolarHBondContact O-N 2.91Å; N330-L333 PolarHBondContact O-N 2.83Å; N330-L333 VanDerWaalsContact O-N 3.15Å; L333-Q335 VanDerWaalsContact C-N 3.31Å; L333-Q335 PolarHBondContact O-N 3.4Å; L333-L336 PolarHBondContact O-N 3.42Å; L333-E337 WeakPolarHBondContact O-CG 3.4Å; L333-E337 PolarHBondContact O-N 3.38Å; L333-L822 HydrophobicContact CD2-CD1 4.47Å; L333-Q825 HydrophobicContact CD2-CB 3.73Å; L333-K826 HydrophobicContact CD2-CG 3.92Å |
| 334 | E | 86.4 | Confident | 85.4 | Confident | 135 Ų | 135 | 81.1 Ų | 81.1 | 63% | 0.631 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 177.1 | -75.6 | -177.8 | 176.2 | 0 | 0 | 111.9 | N330 E337 A338 | N330-E334 PolarHBondContact O-N 3.15Å; E334-E337 PolarHBondContact O-N 2.96Å; E334-A338 VanDerWaalsContact O-CB 3.28Å; E334-A338 WeakPolarHBondContact O-CB 3.49Å; E334-A338 PolarHBondContact O-N 2.91Å |
| 335 | Q | 86.1 | Confident | 85.3 | Confident | 120 Ų | 120 | 77.3 Ų | 77.3 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.3 | -44.1 | 175.4 | -75.2 | 173.5 | 12.2 | 0 | 0 | 112.2 | E331 Q332 L333 A338 Q339 | E331-Q335 VanDerWaalsContact O-CG 3.27Å; E331-Q335 WeakPolarHBondContact O-CG 3.41Å; E331-Q335 PolarHBondContact O-N 3.18Å; Q332-Q335 PolarHBondContact O-N 3.07Å; L333-Q335 VanDerWaalsContact C-N 3.31Å; L333-Q335 PolarHBondContact O-N 3.4Å; Q335-A338 PolarHBondContact O-N 2.83Å; Q335-Q339 VanDerWaalsContact O-CG 3.3Å; Q335-Q339 WeakPolarHBondContact O-CG 2.9Å; Q335-Q339 PolarHBondContact O-N 2.91Å |
| 336 | L | 85.1 | Confident | 85.2 | Confident | 24 Ų | 24 | 76.7 Ų | 76.7 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.7 | -39.3 | 177.2 | -74.5 | 168.2 | 0 | 0 | 0 | 112.1 | Q332 L333 Q339 L340 L818 L822 Q825 | Q332-L336 WeakPolarHBondContact O-CG 3.45Å; Q332-L336 PolarHBondContact O-N 3.14Å; Q332-L336 VanDerWaalsContact O-N 3.08Å; L333-L336 PolarHBondContact O-N 3.42Å; L336-Q339 PolarHBondContact O-N 3.4Å; L336-L340 WeakPolarHBondContact O-CB 3.39Å; L336-L340 PolarHBondContact O-N 3.45Å; L336-L818 HydrophobicContact CD2-CD2 4.21Å; L336-L822 HydrophobicContact CB-CD1 3.63Å; L336-Q825 HydrophobicContact CD1-CG 4.14Å |
| 337 | E | 84.9 | Confident | 85.2 | Confident | 75 Ų | 75 | 79 Ų | 79 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 175.9 | -71 | -171.2 | 164.2 | 0 | 0 | 111.9 | L333 E334 L340 Q341 L822 K826 | L333-E337 WeakPolarHBondContact O-CG 3.4Å; L333-E337 PolarHBondContact O-N 3.38Å; E334-E337 PolarHBondContact O-N 2.96Å; E337-L340 PolarHBondContact O-N 3.33Å; E337-Q341 WeakPolarHBondContact O-CG 3.1Å; E337-Q341 PolarHBondContact O-N 3.42Å; E337-L822 HydrophobicContact CG-CD1 3.56Å; E337-L822 HydrophobicContact CG-CD2 4.27Å; E337-K826 WeakPolarHBondContact OE1-CE 2.97Å; E337-K826 IonicContact OE1-NZ 3.69Å; E337-K826 PolarHBondContact OE1-NZ 2.68Å |
| 338 | A | 87 | Confident | 84.9 | Confident | 56 Ų | 56 | 79.2 Ų | 79.2 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E334 Q335 L340 Q341 E342 | E334-A338 VanDerWaalsContact O-CB 3.28Å; E334-A338 WeakPolarHBondContact O-CB 3.49Å; E334-A338 PolarHBondContact O-N 2.91Å; Q335-A338 PolarHBondContact O-N 2.83Å; A338-L340 PolarHBondContact O-N 3.48Å; A338-Q341 PolarHBondContact O-N 3.43Å; A338-E342 WeakPolarHBondContact O-CB 3.48Å; A338-E342 PolarHBondContact O-N 3.44Å |
| 339 | Q | 85 | Confident | 84.7 | Confident | 96 Ų | 96 | 74.8 Ų | 74.8 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 175.1 | -73.9 | 175.9 | 1.4 | 0 | 0 | 111.8 | Q335 L336 E342 V343 L818 | Q335-Q339 VanDerWaalsContact O-CG 3.3Å; Q335-Q339 WeakPolarHBondContact O-CG 2.9Å; Q335-Q339 PolarHBondContact O-N 2.91Å; L336-Q339 PolarHBondContact O-N 3.4Å; Q339-E342 PolarHBondContact O-N 3.02Å; Q339-V343 WeakPolarHBondContact O-CG2 3.41Å; Q339-V343 PolarHBondContact O-N 3.19Å; Q339-V343 VanDerWaalsContact O-N 3.08Å; Q339-L818 HydrophobicContact CB-CD1 4.35Å; Q339-L818 HydrophobicContact CB-CD2 4.41Å |
| 340 | L | 86 | Confident | 84.3 | Confident | 27 Ų | 27 | 77 Ų | 77 | 14% | 0.141 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 176.7 | -177.9 | 67.8 | 0 | 0 | 0 | 111.5 | L336 E337 A338 E342 V343 V344 I815 L818 K819 | L336-L340 WeakPolarHBondContact O-CB 3.39Å; L336-L340 PolarHBondContact O-N 3.45Å; E337-L340 PolarHBondContact O-N 3.33Å; A338-L340 PolarHBondContact O-N 3.48Å; L340-E342 VanDerWaalsContact C-N 3.33Å; L340-E342 PolarHBondContact O-N 3.23Å; L340-V343 PolarHBondContact O-N 3.43Å; L340-V344 HydrophobicContact CD1-CG2 4.34Å; L340-V344 HydrophobicContact CG-CG2 4.42Å; L340-V344 WeakPolarHBondContact O-CB 3.36Å; L340-V344 WeakPolarHBondContact O-CG2 3.49Å; L340-V344 PolarHBondContact O-N 3.11Å; L340-I815 HydrophobicContact CD1-CG2 4.13Å; L340-L818 HydrophobicContact CD1-CB 3.9Å; L340-K819 HydrophobicContact CD1-CG 4.01Å; L340-K819 HydrophobicContact CD2-CG 4.22Å |
| 341 | Q | 85.1 | Confident | 83.8 | Confident | 143 Ų | 143 | 76.8 Ų | 76.8 | 67% | 0.668 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 176.9 | -76.8 | -175.7 | -0.5 | 0 | 0 | 112.1 | E337 A338 V344 A345 | E337-Q341 WeakPolarHBondContact O-CG 3.1Å; E337-Q341 PolarHBondContact O-N 3.42Å; A338-Q341 PolarHBondContact O-N 3.43Å; Q341-V344 PolarHBondContact O-N 2.9Å; Q341-A345 VanDerWaalsContact O-CB 3.29Å; Q341-A345 WeakPolarHBondContact O-CB 3.41Å; Q341-A345 PolarHBondContact O-N 3.18Å |
| 342 | E | 86.9 | Confident | 83.3 | Confident | 122 Ų | 122 | 73.5 Ų | 73.5 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.3 | -48.4 | 177.7 | -170.7 | 177.3 | -179.3 | 0 | 0 | 111.3 | A338 Q339 L340 A345 Q346 | A338-E342 WeakPolarHBondContact O-CB 3.48Å; A338-E342 PolarHBondContact O-N 3.44Å; Q339-E342 PolarHBondContact O-N 3.02Å; L340-E342 VanDerWaalsContact C-N 3.33Å; L340-E342 PolarHBondContact O-N 3.23Å; E342-A345 PolarHBondContact O-N 2.96Å; E342-Q346 VanDerWaalsContact O-CG 3.31Å; E342-Q346 WeakPolarHBondContact O-CG 3.39Å; E342-Q346 PolarHBondContact O-N 3.24Å |
| 343 | V | 84.6 | Confident | 82.8 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 10% | 0.097 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | Q339 L340 Q346 R347 Q814 I815 L818 | Q339-V343 WeakPolarHBondContact O-CG2 3.41Å; Q339-V343 PolarHBondContact O-N 3.19Å; Q339-V343 VanDerWaalsContact O-N 3.08Å; L340-V343 PolarHBondContact O-N 3.43Å; V343-Q346 PolarHBondContact O-N 3.46Å; V343-R347 PolarHBondContact O-N 2.87Å; V343-Q814 HydrophobicContact CG1-CB 4.13Å; V343-I815 HydrophobicContact CB-CG1 4.32Å; V343-I815 HydrophobicContact CG1-CD1 4.23Å; V343-I815 HydrophobicContact CG1-CG1 3.66Å; V343-L818 HydrophobicContact CG2-CD1 4.06Å |
| 344 | V | 83.3 | Confident | 81.8 | Confident | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 175.1 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L340 Q341 Q346 R347 E348 I815 | L340-V344 HydrophobicContact CD1-CG2 4.34Å; L340-V344 HydrophobicContact CG-CG2 4.42Å; L340-V344 WeakPolarHBondContact O-CB 3.36Å; L340-V344 WeakPolarHBondContact O-CG2 3.49Å; L340-V344 PolarHBondContact O-N 3.11Å; Q341-V344 PolarHBondContact O-N 2.9Å; V344-Q346 VanDerWaalsContact C-N 3.3Å; V344-Q346 PolarHBondContact O-N 3.4Å; V344-R347 WeakPolarHBondContact O-CB 3.24Å; V344-R347 PolarHBondContact O-N 2.93Å; V344-E348 HydrophobicContact CG1-CG 4.44Å; V344-E348 PolarHBondContact O-N 3.37Å; V344-I815 HydrophobicContact CG2-CD1 3.95Å; V344-I815 HydrophobicContact CG2-CG1 4.1Å; V344-I815 HydrophobicContact CG2-CG2 4.46Å |
| 345 | A | 85.7 | Confident | 80.7 | Confident | 55 Ų | 55 | 74.8 Ų | 74.8 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q341 E342 A349 | Q341-A345 VanDerWaalsContact O-CB 3.29Å; Q341-A345 WeakPolarHBondContact O-CB 3.41Å; Q341-A345 PolarHBondContact O-N 3.18Å; E342-A345 PolarHBondContact O-N 2.96Å; A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.3Å; A345-A349 PolarHBondContact O-N 2.89Å |
| 346 | Q | 82.7 | Confident | 79.4 | Confident | 88 Ų | 88 | 77.2 Ų | 77.2 | 41% | 0.411 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 174 | -72.5 | 175.5 | 13.1 | 0 | 0 | 112 | E342 V343 V344 Q350 | E342-Q346 VanDerWaalsContact O-CG 3.31Å; E342-Q346 WeakPolarHBondContact O-CG 3.39Å; E342-Q346 PolarHBondContact O-N 3.24Å; V343-Q346 PolarHBondContact O-N 3.46Å; V344-Q346 VanDerWaalsContact C-N 3.3Å; V344-Q346 PolarHBondContact O-N 3.4Å; Q346-Q350 VanDerWaalsContact O-CG 3.32Å; Q346-Q350 WeakPolarHBondContact O-CG 3.38Å; Q346-Q350 PolarHBondContact O-N 3.07Å; Q346-Q350 VanDerWaalsContact O-N 3.14Å |
| 347 | R | 83.3 | Confident | 77.8 | Confident | 71 Ų | 71 | 81.9 Ų | 81.9 | 27% | 0.268 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -49.6 | 175.2 | 179.8 | -166.4 | -175.1 | -89.2 | -3.4 | 112 | V343 V344 A349 Q350 E351 N811 D812 I815 | V343-R347 PolarHBondContact O-N 2.87Å; V344-R347 WeakPolarHBondContact O-CB 3.24Å; V344-R347 PolarHBondContact O-N 2.93Å; R347-A349 VanDerWaalsContact C-N 3.34Å; R347-A349 PolarHBondContact O-N 3.4Å; R347-Q350 PolarHBondContact O-N 3.5Å; R347-E351 IonicContact CZ-OE2 2.66Å; R347-E351 IonicContact NH1-OE2 2.99Å; R347-E351 PolarHBondContact NH1-OE2 3.35Å; R347-E351 IonicContact NH2-OE2 3.12Å; R347-E351 WeakPolarHBondContact O-CB 3.19Å; R347-E351 PolarHBondContact O-N 3.48Å; R347-N811 HydrophobicContact CB-CB 4.34Å; R347-D812 IonicContact CZ-OD1 3.38Å; R347-D812 IonicContact NE-OD1 3.32Å; R347-D812 PolarHBondContact NE-OD1 3.35Å; R347-D812 IonicContact NH2-OD1 2.73Å; R347-D812 PolarHBondContact NH2-OD1 2.68Å; R347-I815 HydrophobicContact CB-CD1 4.19Å; R347-I815 HydrophobicContact CG-CD1 4.47Å |
| 348 | E | 81.5 | Confident | 75.8 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.6 | -39.8 | -178.8 | -73.3 | -178 | 173.1 | 0 | 0 | 111.8 | V344 Q350 E351 A352 | V344-E348 HydrophobicContact CG1-CG 4.44Å; V344-E348 PolarHBondContact O-N 3.37Å; E348-Q350 VanDerWaalsContact C-N 3.3Å; E348-Q350 PolarHBondContact O-N 2.98Å; E348-E351 PolarHBondContact O-N 3.46Å; E348-A352 VanDerWaalsContact O-CB 3.27Å; E348-A352 WeakPolarHBondContact O-CB 3.4Å; E348-A352 PolarHBondContact O-N 2.96Å |
| 349 | A | 82.1 | Confident | 73.8 | Confident | 64 Ų | 64 | 89.8 Ų | 89.8 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A345 R347 A353 | A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.3Å; A345-A349 PolarHBondContact O-N 2.89Å; R347-A349 VanDerWaalsContact C-N 3.34Å; R347-A349 PolarHBondContact O-N 3.4Å; A349-A353 WeakPolarHBondContact O-CB 3.27Å; A349-A353 PolarHBondContact O-N 3.48Å |
| 350 | Q | 74.1 | Confident | 72.1 | Confident | 63 Ų | 63 | 92 Ų | 92 | 29% | 0.294 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.7 | -40.9 | 176.4 | -72.9 | 178.3 | -6.7 | 0 | 0 | 112.6 | Q346 R347 E348 A353 L354 L808 N811 | Q346-Q350 VanDerWaalsContact O-CG 3.32Å; Q346-Q350 WeakPolarHBondContact O-CG 3.38Å; Q346-Q350 PolarHBondContact O-N 3.07Å; Q346-Q350 VanDerWaalsContact O-N 3.14Å; R347-Q350 PolarHBondContact O-N 3.5Å; E348-Q350 VanDerWaalsContact C-N 3.3Å; E348-Q350 PolarHBondContact O-N 2.98Å; Q350-A353 WeakPolarHBondContact O-CB 3.39Å; Q350-A353 PolarHBondContact O-N 3.46Å; Q350-L354 PolarHBondContact O-N 2.94Å; Q350-L808 HydrophobicContact CB-CD2 4.28Å; Q350-N811 PolarHBondContact OE1-ND2 2.91Å |
| 351 | E | 74.2 | Confident | 69.9 | Low | 77 Ų | 77 | 101.7 Ų | 101.7 | 36% | 0.36 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 177.3 | -168.2 | 170.4 | -173 | 0 | 0 | 111.2 | R347 E348 A353 L354 L355 | R347-E351 IonicContact CZ-OE2 2.66Å; R347-E351 IonicContact NH1-OE2 2.99Å; R347-E351 PolarHBondContact NH1-OE2 3.35Å; R347-E351 IonicContact NH2-OE2 3.12Å; R347-E351 WeakPolarHBondContact O-CB 3.19Å; R347-E351 PolarHBondContact O-N 3.48Å; E348-E351 PolarHBondContact O-N 3.46Å; E351-A353 VanDerWaalsContact C-N 3.35Å; E351-A353 PolarHBondContact O-N 2.68Å; E351-L354 WeakPolarHBondContact O-CA 3.2Å; E351-L354 VanDerWaalsContact O-CB 3.23Å; E351-L354 WeakPolarHBondContact O-CB 3.47Å; E351-L354 PolarHBondContact O-N 3.05Å; E351-L354 VanDerWaalsContact O-N 3.09Å; E351-L355 HydrophobicContact CG-CD1 4.47Å; E351-L355 PolarHBondContact O-N 3.32Å; E351-L355 VanDerWaalsContact O-N 3.07Å |
| 352 | A | 76.8 | Confident | 67.8 | Low | 45 Ų | 45 | 98.4 Ų | 98.4 | 37% | 0.372 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -39.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E348 L354 L355 Q356 | E348-A352 VanDerWaalsContact O-CB 3.27Å; E348-A352 WeakPolarHBondContact O-CB 3.4Å; E348-A352 PolarHBondContact O-N 2.96Å; A352-L354 PolarHBondContact O-N 3.23Å; A352-L355 PolarHBondContact O-N 2.93Å; A352-Q356 WeakPolarHBondContact O-CG 3.48Å; A352-Q356 PolarHBondContact O-N 3.43Å; A352-Q356 VanDerWaalsContact O-N 3.14Å |
| 353 | A | 71.6 | Confident | 66.1 | Low | 55 Ų | 55 | 100.5 Ų | 100.5 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -32.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | A349 Q350 E351 | A349-A353 WeakPolarHBondContact O-CB 3.27Å; A349-A353 PolarHBondContact O-N 3.48Å; Q350-A353 WeakPolarHBondContact O-CB 3.39Å; Q350-A353 PolarHBondContact O-N 3.46Å; E351-A353 VanDerWaalsContact C-N 3.35Å; E351-A353 PolarHBondContact O-N 2.68Å |
| 354 | L | 65.4 | Low | 64.4 | Low | 82 Ų | 82 | 109.2 Ų | 109.2 | 43% | 0.429 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.2 | -39.5 | 175.7 | -133.8 | 106.3 | 0 | 0 | 0 | 112.7 | Q350 E351 A352 K804 L808 | Q350-L354 PolarHBondContact O-N 2.94Å; E351-L354 WeakPolarHBondContact O-CA 3.2Å; E351-L354 VanDerWaalsContact O-CB 3.23Å; E351-L354 WeakPolarHBondContact O-CB 3.47Å; E351-L354 PolarHBondContact O-N 3.05Å; E351-L354 VanDerWaalsContact O-N 3.09Å; A352-L354 PolarHBondContact O-N 3.23Å; L354-K804 HydrophobicContact CD1-CB 3.89Å; L354-K804 HydrophobicContact CD1-CD 3.97Å; L354-K804 HydrophobicContact CD1-CG 4.32Å; L354-L808 HydrophobicContact CD1-CD1 4.07Å |
| 355 | L | 63.3 | Low | 63.2 | Low | 130 Ų | 130 | 108.2 Ų | 108.2 | 68% | 0.681 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -78.7 | -23.2 | -177 | -80.9 | 157.5 | 0 | 0 | 0 | 113.6 | E351 A352 P358 | E351-L355 HydrophobicContact CG-CD1 4.47Å; E351-L355 PolarHBondContact O-N 3.32Å; E351-L355 VanDerWaalsContact O-N 3.07Å; A352-L355 PolarHBondContact O-N 2.93Å; L355-P358 WeakPolarHBondContact O-CD 3.2Å |
| 356 | Q | 59.4 | Low | 62.2 | Low | 170 Ų | 170 | 108.2 Ų | 108.2 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -80.4 | -13.1 | -178 | -76.4 | -173.5 | 11.6 | 0 | 0 | 114.7 | A352 | A352-Q356 WeakPolarHBondContact O-CG 3.48Å; A352-Q356 PolarHBondContact O-N 3.43Å; A352-Q356 VanDerWaalsContact O-N 3.14Å |
| 357 | E | 52.1 | Low | 61.5 | Low | 123 Ų | 123 | 111.8 Ų | 111.8 | 58% | 0.575 | 58% | 0.575 | S | S | * | * | trans | -91.4 | 0.5 | -172.9 | -78.4 | -170.3 | 143.6 | 0 | 0 | 120 | Q359 K804 | E357-Q359 VanDerWaalsContact C-N 3.33Å; E357-Q359 PolarHBondContact O-N 3.04Å; E357-K804 IonicContact OE2-NZ 3.5Å; E357-K804 PolarHBondContact OE2-NZ 2.76Å | ||
| 358 | P | 41.7 | Very low | 61 | Low | 108 Ų | 108 | 116.1 Ų | 116.1 | 70% | 0.701 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 33.5 | -167 | 35.4 | -38.4 | 0 | 0 | 0 | 117 | L355 | L355-P358 WeakPolarHBondContact O-CD 3.2Š|
| 359 | Q | 44.8 | Very low | 60.5 | Low | 189 Ų | 189 | 113.1 Ų | 113.1 | 88% | 0.883 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | 0.7 | 178.5 | -79.7 | -174.8 | -12.9 | 0 | 0 | 116.6 | E357 | E357-Q359 VanDerWaalsContact C-N 3.33Å; E357-Q359 PolarHBondContact O-N 3.04Å |
| 360 | I | 49.1 | Very low | 60 | Low | 142 Ų | 142 | 113.5 Ų | 113.5 | 73% | 0.728 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -108 | 90.3 | -173.1 | -54.5 | 179 | 0 | 0 | 0 | 110.8 | ||
| 361 | R | 41.1 | Very low | 60.1 | Low | 231 Ų | 231 | 115.3 Ų | 115.3 | 87% | 0.872 | 59% | 0.588 | S | S | * | * | trans | 66.3 | 116.7 | 150.7 | -54.6 | 173.5 | -175.3 | -176.1 | 1.2 | 116.3 | ||||
| 362 | G | 40.8 | Very low | 60.3 | Low | 73 Ų | 73 | 116.2 Ų | 116.2 | 75% | 0.753 | 59% | 0.593 | S | S | * | * | cis | 106.2 | 77.7 | 14.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 363 | R | 50.7 | Low | 60.4 | Low | 166 Ų | 166 | 115.2 Ų | 115.2 | 63% | 0.626 | 58% | 0.579 | S | S | * | * | trans | -157.1 | 87.4 | 150.1 | -92.3 | -174.9 | -175.5 | 160.3 | 3.3 | 107.9 | L365 I785 G786 | R363-L365 PolarHBondContact O-N 2.88Å; R363-I785 PolarHBondContact NH1-O 3.35Å; R363-G786 PolarHBondContact NH1-O 3.5Å | ||
| 364 | E | 50 | Low | 60.6 | Low | 199 Ų | 199 | 116.6 Ų | 116.6 | 93% | 0.93 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.4 | 165.5 | -73.4 | 179 | 164.1 | 0 | 0 | 108.1 | ||
| 365 | L | 58.3 | Low | 61.3 | Low | 23 Ų | 23 | 116.4 Ų | 116.4 | 12% | 0.12 | 59% | 0.585 | C | S | . | * | P | Polyproline II helix | trans | -63.3 | 135.1 | 169.9 | -77.6 | 134.5 | 0 | 0 | 0 | 109.2 | R363 Q369 L370 F781 I785 Y793 | R363-L365 PolarHBondContact O-N 2.88Å; L365-Q369 HydrophobicContact CB-CB 4.21Å; L365-Q369 HydrophobicContact CD2-CB 3.48Å; L365-Q369 VanDerWaalsContact CD2-CB 3.48Å; L365-Q369 HydrophobicContact CD2-CG 4.46Å; L365-Q369 HydrophobicContact CG-CB 4.46Å; L365-L370 HydrophobicContact CB-CD1 4.02Å; L365-L370 HydrophobicContact CD1-CD1 4.39Å; L365-F781 HydrophobicContact CD2-CE1 4.45Å; L365-F781 HydrophobicContact CD2-CE2 4.48Å; L365-F781 HydrophobicContact CD2-CZ 3.66Å; L365-I785 HydrophobicContact CD2-CD1 4.12Å; L365-I785 HydrophobicContact CD2-CG1 4.18Å; L365-Y793 HydrophobicContact CD1-CE1 3.96Å; L365-Y793 HydrophobicContact CD1-CE2 3.83Å; L365-Y793 WeakPolarHBondContact CD1-OH 3.39Å |
| 366 | S | 63.6 | Low | 62.2 | Low | 55 Ų | 55 | 111.6 Ų | 111.6 | 39% | 0.385 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 153.6 | 168.9 | 64.4 | 0 | 0 | 0 | 0 | 110.2 | Q368 Q369 L370 | S366-Q368 PolarHBondContact O-N 3.18Å; S366-Q368 VanDerWaalsContact O-N 3.09Å; S366-Q369 CarbonylContact O-C 3.58Å; S366-Q369 WeakPolarHBondContact O-CA 3.43Å; S366-Q369 PolarHBondContact O-N 2.96Å; S366-Q369 VanDerWaalsContact OG-CG 3.27Å; S366-Q369 WeakPolarHBondContact OG-CG 3.43Å; S366-Q369 PolarHBondContact OG-N 2.74Å; S366-Q369 PolarHBondContact OG-OE1 3.31Å; S366-L370 PolarHBondContact O-N 2.62Å |
| 367 | Q | 68.5 | Low | 63.1 | Low | 164 Ų | 164 | 107.2 Ų | 107.2 | 77% | 0.766 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -53.5 | -36.2 | -179.3 | -150.3 | 121.3 | 15.5 | 0 | 0 | 112.4 | L370 D371 | Q367-L370 WeakPolarHBondContact O-CB 3.44Å; Q367-L370 PolarHBondContact O-N 3.31Å; Q367-D371 PolarHBondContact O-N 3.4Å |
| 368 | Q | 71.5 | Confident | 64.3 | Low | 162 Ų | 162 | 102.9 Ų | 102.9 | 76% | 0.757 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 174 | -72.8 | -178.5 | -19.7 | 0 | 0 | 113.1 | S366 L370 D371 E372 | S366-Q368 PolarHBondContact O-N 3.18Å; S366-Q368 VanDerWaalsContact O-N 3.09Å; Q368-L370 VanDerWaalsContact C-N 3.31Å; Q368-D371 PolarHBondContact O-N 2.74Å; Q368-E372 WeakPolarHBondContact O-CB 3.46Å; Q368-E372 PolarHBondContact O-N 3.42Å |
| 369 | Q | 72.2 | Confident | 66.2 | Low | 54 Ų | 54 | 101.6 Ų | 101.6 | 25% | 0.252 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.9 | -28.5 | 176.4 | -68.1 | 169.9 | -51.1 | 0 | 0 | 112 | L365 S366 Y373 F781 | L365-Q369 HydrophobicContact CB-CB 4.21Å; L365-Q369 HydrophobicContact CD2-CB 3.48Å; L365-Q369 VanDerWaalsContact CD2-CB 3.48Å; L365-Q369 HydrophobicContact CD2-CG 4.46Å; L365-Q369 HydrophobicContact CG-CB 4.46Å; S366-Q369 CarbonylContact O-C 3.58Å; S366-Q369 WeakPolarHBondContact O-CA 3.43Å; S366-Q369 PolarHBondContact O-N 2.96Å; S366-Q369 VanDerWaalsContact OG-CG 3.27Å; S366-Q369 WeakPolarHBondContact OG-CG 3.43Å; S366-Q369 PolarHBondContact OG-N 2.74Å; S366-Q369 PolarHBondContact OG-OE1 3.31Å; Q369-Y373 WeakPolarHBondContact O-CB 3.45Å; Q369-Y373 PolarHBondContact O-N 2.99Å; Q369-F781 HydrophobicContact CB-CE2 4.16Å; Q369-F781 HydrophobicContact CB-CZ 4.41Å; Q369-F781 WeakPolarHBondContact O-CE2 3.15Å; Q369-F781 WeakPolarHBondContact O-CZ 3.34Å |
| 370 | L | 71.5 | Confident | 67.9 | Low | 73 Ų | 73 | 93.4 Ų | 93.4 | 38% | 0.382 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | 173 | -147.7 | 101.6 | 0 | 0 | 0 | 110.7 | L365 S366 Q367 Q368 Y373 N374 | L365-L370 HydrophobicContact CB-CD1 4.02Å; L365-L370 HydrophobicContact CD1-CD1 4.39Å; S366-L370 PolarHBondContact O-N 2.62Å; Q367-L370 WeakPolarHBondContact O-CB 3.44Å; Q367-L370 PolarHBondContact O-N 3.31Å; Q368-L370 VanDerWaalsContact C-N 3.31Å; L370-Y373 PolarHBondContact O-N 3.39Å; L370-N374 WeakPolarHBondContact O-CB 3.38Å; L370-N374 PolarHBondContact O-N 2.82Å; L370-N374 PolarHBondContact O-ND2 3.42Å; L370-N374 VanDerWaalsContact O-ND2 3.1Å |
| 371 | D | 75.7 | Confident | 69.3 | Low | 100 Ų | 100 | 90.3 Ų | 90.3 | 54% | 0.535 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 174.8 | -69.2 | -21.6 | 0 | 0 | 0 | 111.6 | Q367 Q368 N374 S375 | Q367-D371 PolarHBondContact O-N 3.4Å; Q368-D371 PolarHBondContact O-N 2.74Å; D371-N374 PolarHBondContact O-N 3.16Å; D371-S375 WeakPolarHBondContact O-CB 3.49Å; D371-S375 PolarHBondContact O-N 2.71Å |
| 372 | E | 78 | Confident | 71.2 | Confident | 96 Ų | 96 | 88.2 Ų | 88.2 | 45% | 0.449 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.6 | -44 | 174.1 | -168.6 | 175.8 | -164.1 | 0 | 0 | 111.5 | Q368 N374 S375 L376 F781 | Q368-E372 WeakPolarHBondContact O-CB 3.46Å; Q368-E372 PolarHBondContact O-N 3.42Å; E372-N374 PolarHBondContact O-N 3.2Å; E372-S375 PolarHBondContact O-N 2.96Å; E372-L376 HydrophobicContact CG-CD1 4.11Å; E372-L376 WeakPolarHBondContact O-CB 3.38Å; E372-L376 WeakPolarHBondContact O-CG 3.29Å; E372-L376 PolarHBondContact O-N 3.42Å; E372-F781 HydrophobicContact CB-CD2 4.37Å; E372-F781 HydrophobicContact CB-CE2 4.08Å; E372-F781 HydrophobicContact CG-CD2 3.93Å; E372-F781 HydrophobicContact CG-CE2 4.16Å |
| 373 | Y | 79 | Confident | 73.1 | Confident | 24 Ų | 24 | 89.7 Ų | 89.7 | 9% | 0.094 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.9 | -46.1 | 172.6 | 173.4 | -104 | 0 | 0 | 0 | 111.6 | Q369 L370 S375 L376 K377 F778 F781 Y793 E794 | Q369-Y373 WeakPolarHBondContact O-CB 3.45Å; Q369-Y373 PolarHBondContact O-N 2.99Å; L370-Y373 PolarHBondContact O-N 3.39Å; Y373-S375 VanDerWaalsContact C-N 3.34Å; Y373-S375 PolarHBondContact O-N 3.06Å; Y373-L376 PolarHBondContact O-N 3.34Å; Y373-K377 HydrophobicContact CE1-CD 3.94Å; Y373-K377 WeakPolarHBondContact O-CB 3.24Å; Y373-K377 PolarHBondContact O-N 3.35Å; Y373-K377 PolarHBondContact OH-NZ 3.4Å; Y373-F778 AromaticContact CD2-CE1 3.71Å; Y373-F778 HydrophobicContact CD2-CE1 3.71Å; Y373-F778 HydrophobicContact CD2-CZ 4.04Å; Y373-F778 HydrophobicContact CE2-CE1 4.15Å; Y373-F778 HydrophobicContact CE2-CZ 4.09Å; Y373-F781 AromaticContact CD2-CE1 3.71Å; Y373-F781 HydrophobicContact CD2-CE1 3.71Å; Y373-F781 HydrophobicContact CD2-CZ 4.38Å; Y373-F781 HydrophobicContact CG-CE1 4.19Å; Y373-F781 HydrophobicContact CG-CZ 4.43Å; Y373-Y793 HydrophobicContact CE2-CD1 4.37Å; Y373-E794 PolarHBondContact OH-OE1 3.28Å |
| 374 | N | 76.7 | Confident | 74.6 | Confident | 84 Ų | 84 | 81.8 Ų | 81.8 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 178.4 | -72.3 | -29.2 | 0 | 0 | 0 | 112 | L370 D371 E372 G378 | L370-N374 WeakPolarHBondContact O-CB 3.38Å; L370-N374 PolarHBondContact O-N 2.82Å; L370-N374 PolarHBondContact O-ND2 3.42Å; L370-N374 VanDerWaalsContact O-ND2 3.1Å; D371-N374 PolarHBondContact O-N 3.16Å; E372-N374 PolarHBondContact O-N 3.2Å; N374-G378 PolarHBondContact O-N 3.41Å |
| 375 | S | 80.1 | Confident | 76.1 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.8 | -49 | 176.2 | -171.4 | 0 | 0 | 0 | 0 | 111.7 | D371 E372 Y373 G378 E379 | D371-S375 WeakPolarHBondContact O-CB 3.49Å; D371-S375 PolarHBondContact O-N 2.71Å; E372-S375 PolarHBondContact O-N 2.96Å; Y373-S375 VanDerWaalsContact C-N 3.34Å; Y373-S375 PolarHBondContact O-N 3.06Å; S375-G378 WeakPolarHBondContact O-CA 3.35Å; S375-G378 PolarHBondContact O-N 3.03Å; S375-G378 VanDerWaalsContact O-N 3.16Å; S375-E379 PolarHBondContact O-N 3.04Å |
| 376 | L | 81.5 | Confident | 77.3 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 15% | 0.147 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 178 | -69.2 | 170.7 | 0 | 0 | 0 | 111.5 | E372 Y373 G378 E379 V380 V777 F778 F781 | E372-L376 HydrophobicContact CG-CD1 4.11Å; E372-L376 WeakPolarHBondContact O-CB 3.38Å; E372-L376 WeakPolarHBondContact O-CG 3.29Å; E372-L376 PolarHBondContact O-N 3.42Å; Y373-L376 PolarHBondContact O-N 3.34Å; L376-G378 VanDerWaalsContact C-N 3.29Å; L376-G378 PolarHBondContact O-N 3.49Å; L376-E379 WeakPolarHBondContact O-CB 3.32Å; L376-E379 PolarHBondContact O-N 2.8Å; L376-V380 WeakPolarHBondContact O-CG2 3.41Å; L376-V380 PolarHBondContact O-N 3.4Å; L376-V777 HydrophobicContact CB-CG1 4.22Å; L376-V777 HydrophobicContact CD2-CG1 3.82Å; L376-F778 HydrophobicContact CB-CD1 3.76Å; L376-F778 HydrophobicContact CB-CE1 3.4Å; L376-F778 HydrophobicContact CB-CZ 3.86Å; L376-F778 HydrophobicContact CD1-CD1 3.79Å; L376-F778 HydrophobicContact CD1-CE1 4.07Å; L376-F778 HydrophobicContact CG-CD1 4.42Å; L376-F778 HydrophobicContact CG-CE1 4.4Å; L376-F781 HydrophobicContact CD1-CB 3.37Å; L376-F781 HydrophobicContact CD1-CD1 4.3Å; L376-F781 HydrophobicContact CD1-CD2 4.01Å; L376-F781 HydrophobicContact CD1-CG 3.66Å |
| 377 | K | 78.6 | Confident | 78.4 | Confident | 79 Ų | 79 | 75 Ų | 75 | 34% | 0.343 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 172.6 | -166.3 | 165.6 | -174.1 | 152.8 | 0 | 111.2 | Y373 E379 V380 V381 F778 E794 | Y373-K377 HydrophobicContact CE1-CD 3.94Å; Y373-K377 WeakPolarHBondContact O-CB 3.24Å; Y373-K377 PolarHBondContact O-N 3.35Å; Y373-K377 PolarHBondContact OH-NZ 3.4Å; K377-E379 VanDerWaalsContact C-N 3.26Å; K377-E379 PolarHBondContact O-N 3.49Å; K377-V380 PolarHBondContact O-N 3Å; K377-V381 WeakPolarHBondContact O-CB 3.25Å; K377-V381 VanDerWaalsContact O-CG2 3.24Å; K377-V381 WeakPolarHBondContact O-CG2 3.46Å; K377-V381 PolarHBondContact O-N 3.43Å; K377-F778 HydrophobicContact CB-CZ 4.02Å; K377-E794 IonicContact NZ-OE1 3.01Å; K377-E794 PolarHBondContact NZ-OE1 3.16Å |
| 378 | G | 77 | Confident | 79.1 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.3 | -27.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.8 | N374 S375 L376 R382 | N374-G378 PolarHBondContact O-N 3.41Å; S375-G378 WeakPolarHBondContact O-CA 3.35Å; S375-G378 PolarHBondContact O-N 3.03Å; S375-G378 VanDerWaalsContact O-N 3.16Å; L376-G378 VanDerWaalsContact C-N 3.29Å; L376-G378 PolarHBondContact O-N 3.49Å; G378-R382 PolarHBondContact O-N 3.13Å; G378-R382 PolarHBondContact O-NE 3.06Å |
| 379 | E | 81.1 | Confident | 79.6 | Confident | 81 Ų | 81 | 70 Ų | 70 | 38% | 0.379 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -79.4 | -41.8 | 174.1 | -167.6 | 165.8 | -156.5 | 0 | 0 | 112.1 | S375 L376 K377 V381 R382 Q383 V777 | S375-E379 PolarHBondContact O-N 3.04Å; L376-E379 WeakPolarHBondContact O-CB 3.32Å; L376-E379 PolarHBondContact O-N 2.8Å; K377-E379 VanDerWaalsContact C-N 3.26Å; K377-E379 PolarHBondContact O-N 3.49Å; E379-V381 VanDerWaalsContact C-N 3.35Å; E379-V381 PolarHBondContact O-N 3.19Å; E379-R382 WeakPolarHBondContact O-CB 3.43Å; E379-R382 PolarHBondContact O-N 3.43Å; E379-R382 VanDerWaalsContact O-N 3.14Å; E379-Q383 PolarHBondContact O-N 3.48Å; E379-V777 HydrophobicContact CB-CG1 4.1Å; E379-V777 HydrophobicContact CG-CG1 4.29Å |
| 380 | V | 80.7 | Confident | 80.3 | Confident | 17 Ų | 17 | 72 Ų | 72 | 10% | 0.103 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 172.1 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | L376 K377 R382 Q383 C384 A774 V777 F778 | L376-V380 WeakPolarHBondContact O-CG2 3.41Å; L376-V380 PolarHBondContact O-N 3.4Å; K377-V380 PolarHBondContact O-N 3Å; V380-R382 VanDerWaalsContact C-N 3.26Å; V380-R382 PolarHBondContact O-N 3.08Å; V380-Q383 PolarHBondContact O-N 3.29Å; V380-C384 WeakPolarHBondContact O-CB 3.08Å; V380-C384 PolarHBondContact O-N 2.89Å; V380-C384 PolarHBondContact O-SG 2.94Å; V380-A774 HydrophobicContact CG1-CB 4.02Å; V380-A774 HydrophobicContact CG2-CB 4.35Å; V380-V777 HydrophobicContact CG2-CB 3.6Å; V380-V777 HydrophobicContact CG2-CG1 3.7Å; V380-V777 HydrophobicContact CG2-CG2 3.99Å; V380-F778 HydrophobicContact CB-CE2 4.44Å; V380-F778 HydrophobicContact CG2-CD2 3.81Å; V380-F778 HydrophobicContact CG2-CE2 3.6Å |
| 381 | V | 78.3 | Confident | 81 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 47% | 0.467 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | K377 E379 A385 | K377-V381 WeakPolarHBondContact O-CB 3.25Å; K377-V381 VanDerWaalsContact O-CG2 3.24Å; K377-V381 WeakPolarHBondContact O-CG2 3.46Å; K377-V381 PolarHBondContact O-N 3.43Å; E379-V381 VanDerWaalsContact C-N 3.35Å; E379-V381 PolarHBondContact O-N 3.19Å; V381-A385 WeakPolarHBondContact O-CB 3.48Å; V381-A385 PolarHBondContact O-N 2.76Å; V381-A385 VanDerWaalsContact O-N 3.11Å |
| 382 | R | 81 | Confident | 81.4 | Confident | 187 Ų | 187 | 68.8 Ų | 68.8 | 71% | 0.706 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67 | -49.8 | 175.9 | -100.2 | -176 | -73.9 | 168.5 | -2.5 | 112.5 | G378 E379 V380 C384 A385 | G378-R382 PolarHBondContact O-N 3.13Å; G378-R382 PolarHBondContact O-NE 3.06Å; E379-R382 WeakPolarHBondContact O-CB 3.43Å; E379-R382 PolarHBondContact O-N 3.43Å; E379-R382 VanDerWaalsContact O-N 3.14Å; V380-R382 VanDerWaalsContact C-N 3.26Å; V380-R382 PolarHBondContact O-N 3.08Å; R382-C384 VanDerWaalsContact C-N 3.35Å; R382-A385 WeakPolarHBondContact O-CB 3.24Å; R382-A385 PolarHBondContact O-N 2.71Å |
| 383 | Q | 81 | Confident | 81.9 | Confident | 104 Ų | 104 | 68.1 Ų | 68.1 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.7 | -32.5 | -178.4 | -66.5 | -173.8 | 13.4 | 0 | 0 | 112.4 | E379 V380 V773 | E379-Q383 PolarHBondContact O-N 3.48Å; V380-Q383 PolarHBondContact O-N 3.29Å; Q383-V773 HydrophobicContact CB-CG1 3.72Å |
| 384 | C | 83 | Confident | 82.4 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -1.9 | 179.4 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | V380 R382 A386 I387 Q388 M770 V773 | V380-C384 WeakPolarHBondContact O-CB 3.08Å; V380-C384 PolarHBondContact O-N 2.89Å; V380-C384 PolarHBondContact O-SG 2.94Å; R382-C384 VanDerWaalsContact C-N 3.35Å; C384-A386 VanDerWaalsContact C-N 3.3Å; C384-A386 PolarHBondContact O-N 3.43Å; C384-I387 PolarHBondContact O-N 3.02Å; C384-I387 VanDerWaalsContact O-N 3.09Å; C384-Q388 WeakPolarHBondContact O-CB 3.47Å; C384-Q388 PolarHBondContact O-N 3.38Å; C384-M770 HydrophobicContact CB-CE 3.96Å; C384-M770 HydrophobicContact CB-CG 4.17Å; C384-V773 VanDerWaalsContact SG-CG1 3.59Å |
| 385 | A | 81.2 | Confident | 82.8 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -52.5 | -44.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V381 R382 Q388 Q389 | V381-A385 WeakPolarHBondContact O-CB 3.48Å; V381-A385 PolarHBondContact O-N 2.76Å; V381-A385 VanDerWaalsContact O-N 3.11Å; R382-A385 WeakPolarHBondContact O-CB 3.24Å; R382-A385 PolarHBondContact O-N 2.71Å; A385-Q388 PolarHBondContact O-N 3.39Å; A385-Q389 PolarHBondContact O-N 3.46Å |
| 386 | A | 84.3 | Confident | 83.1 | Confident | 66 Ų | 66 | 70.9 Ų | 70.9 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.2 | -46.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | C384 Q388 Q389 E390 | C384-A386 VanDerWaalsContact C-N 3.3Å; C384-A386 PolarHBondContact O-N 3.43Å; A386-Q388 VanDerWaalsContact C-N 3.29Å; A386-Q388 PolarHBondContact O-N 2.88Å; A386-Q389 PolarHBondContact O-N 2.83Å; A386-E390 PolarHBondContact O-N 3.45Å; A386-E390 VanDerWaalsContact O-N 3.13Å |
| 387 | I | 85.6 | Confident | 83.4 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 10% | 0.097 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.7 | -35.9 | 178.8 | -54.2 | 169.7 | 0 | 0 | 0 | 110.3 | C384 E390 L391 N766 R769 M770 | C384-I387 PolarHBondContact O-N 3.02Å; C384-I387 VanDerWaalsContact O-N 3.09Å; I387-E390 PolarHBondContact O-N 3.29Å; I387-L391 WeakPolarHBondContact O-CB 3.44Å; I387-L391 PolarHBondContact O-N 2.94Å; I387-N766 HydrophobicContact CG2-CB 4.01Å; I387-N766 WeakPolarHBondContact CG2-O 3.26Å; I387-R769 HydrophobicContact CD1-CB 4.04Å; I387-R769 HydrophobicContact CG2-CB 4.47Å; I387-M770 HydrophobicContact CB-CG 4.01Å; I387-M770 HydrophobicContact CG2-CG 3.58Å; I387-M770 HydrophobicContact CG2-SD 4.36Å |
| 388 | Q | 83.1 | Confident | 83.8 | Confident | 77 Ų | 77 | 70.8 Ų | 70.8 | 36% | 0.36 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -70.6 | -34.5 | 178.8 | -169.7 | 160.8 | -7.8 | 0 | 0 | 111.4 | C384 A385 A386 T392 M770 | C384-Q388 WeakPolarHBondContact O-CB 3.47Å; C384-Q388 PolarHBondContact O-N 3.38Å; A385-Q388 PolarHBondContact O-N 3.39Å; A386-Q388 VanDerWaalsContact C-N 3.29Å; A386-Q388 PolarHBondContact O-N 2.88Å; Q388-T392 VanDerWaalsContact O-CB 3.3Å; Q388-T392 WeakPolarHBondContact O-CB 3.43Å; Q388-T392 PolarHBondContact O-N 3.26Å; Q388-T392 PolarHBondContact O-OG1 3.42Å; Q388-M770 HydrophobicContact CB-CE 4.2Å; Q388-M770 HydrophobicContact CB-SD 4.16Å; Q388-M770 HydrophobicContact CG-CE 4.28Å |
| 389 | Q | 82.3 | Confident | 84.3 | Confident | 145 Ų | 145 | 74.8 Ų | 74.8 | 68% | 0.678 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.9 | -49.2 | 168.5 | -83.1 | -177.2 | -22.7 | 0 | 0 | 111.4 | A385 A386 L391 T392 V393 | A385-Q389 PolarHBondContact O-N 3.46Å; A386-Q389 PolarHBondContact O-N 2.83Å; Q389-L391 VanDerWaalsContact C-N 3.34Å; Q389-L391 PolarHBondContact O-N 2.93Å; Q389-T392 PolarHBondContact O-N 2.89Å; Q389-V393 WeakPolarHBondContact O-CG2 3.19Å; Q389-V393 PolarHBondContact O-N 3.22Å |
| 390 | E | 86.8 | Confident | 84.5 | Confident | 95 Ų | 95 | 76 Ų | 76 | 44% | 0.444 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.1 | -45.8 | 175.4 | -71.3 | 179.1 | -169.3 | 0 | 0 | 111.9 | A386 I387 T392 V393 L394 N766 R769 | A386-E390 PolarHBondContact O-N 3.45Å; A386-E390 VanDerWaalsContact O-N 3.13Å; I387-E390 PolarHBondContact O-N 3.29Å; E390-T392 VanDerWaalsContact C-N 3.3Å; E390-T392 PolarHBondContact O-N 3.32Å; E390-V393 PolarHBondContact O-N 3.4Å; E390-L394 WeakPolarHBondContact O-CG 3.33Å; E390-L394 PolarHBondContact O-N 3.47Å; E390-N766 PolarHBondContact OE2-ND2 3.29Å; E390-R769 IonicContact OE2-NH1 3.55Å |
| 391 | L | 86.7 | Confident | 84.9 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 12% | 0.12 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 177.9 | -165.2 | 113 | 0 | 0 | 0 | 111.4 | I387 Q389 V393 L394 V395 I763 N766 Q767 | I387-L391 WeakPolarHBondContact O-CB 3.44Å; I387-L391 PolarHBondContact O-N 2.94Å; Q389-L391 VanDerWaalsContact C-N 3.34Å; Q389-L391 PolarHBondContact O-N 2.93Å; L391-V393 VanDerWaalsContact C-N 3.34Å; L391-L394 PolarHBondContact O-N 3.39Å; L391-V395 HydrophobicContact CD2-CG2 4.08Å; L391-V395 HydrophobicContact CG-CG2 4.12Å; L391-V395 VanDerWaalsContact O-CB 3.25Å; L391-V395 WeakPolarHBondContact O-CB 2.89Å; L391-V395 WeakPolarHBondContact O-CG2 3.29Å; L391-V395 PolarHBondContact O-N 2.98Å; L391-I763 HydrophobicContact CD1-CG2 4.36Å; L391-N766 HydrophobicContact CD1-CB 3.87Å; L391-Q767 HydrophobicContact CD1-CB 4.38Å; L391-Q767 HydrophobicContact CD1-CG 3.79Å |
| 392 | T | 84.6 | Confident | 85.3 | Confident | 83 Ų | 83 | 75.7 Ų | 75.7 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 177 | -56.7 | 0 | 0 | 0 | 0 | 111 | Q388 Q389 E390 R396 | Q388-T392 VanDerWaalsContact O-CB 3.3Å; Q388-T392 WeakPolarHBondContact O-CB 3.43Å; Q388-T392 PolarHBondContact O-N 3.26Å; Q388-T392 PolarHBondContact O-OG1 3.42Å; Q389-T392 PolarHBondContact O-N 2.89Å; E390-T392 VanDerWaalsContact C-N 3.3Å; E390-T392 PolarHBondContact O-N 3.32Å; T392-R396 WeakPolarHBondContact O-CB 3.33Å; T392-R396 PolarHBondContact O-N 3.32Å |
| 393 | V | 87.9 | Confident | 85.6 | Confident | 82 Ų | 82 | 73.2 Ų | 73.2 | 50% | 0.497 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -51.1 | 174 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | Q389 E390 L391 V395 R396 E397 | Q389-V393 WeakPolarHBondContact O-CG2 3.19Å; Q389-V393 PolarHBondContact O-N 3.22Å; E390-V393 PolarHBondContact O-N 3.4Å; L391-V393 VanDerWaalsContact C-N 3.34Å; V393-V395 PolarHBondContact O-N 3.21Å; V393-R396 PolarHBondContact O-N 2.65Å; V393-E397 WeakPolarHBondContact O-CG 3.41Å; V393-E397 PolarHBondContact O-N 2.98Å |
| 394 | L | 88.4 | Confident | 85.9 | Confident | 27 Ų | 27 | 71.4 Ų | 71.4 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | -179.5 | -68.2 | 171.5 | 0 | 0 | 0 | 112.6 | E390 L391 E397 Q398 R759 K762 I763 | E390-L394 WeakPolarHBondContact O-CG 3.33Å; E390-L394 PolarHBondContact O-N 3.47Å; L391-L394 PolarHBondContact O-N 3.39Å; L394-E397 PolarHBondContact O-N 3.4Å; L394-Q398 WeakPolarHBondContact O-CB 3.38Å; L394-Q398 PolarHBondContact O-N 3.34Å; L394-R759 HydrophobicContact CB-CG 4.45Å; L394-R759 HydrophobicContact CD2-CG 3.81Å; L394-R759 VanDerWaalsContact O-CD 3.26Å; L394-R759 WeakPolarHBondContact O-CD 3.25Å; L394-K762 HydrophobicContact CD1-CB 3.97Å; L394-I763 HydrophobicContact CB-CD1 4.34Å; L394-I763 HydrophobicContact CB-CG1 3.73Å; L394-I763 HydrophobicContact CD1-CG1 4.43Å |
| 395 | V | 86.2 | Confident | 86.2 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 26% | 0.261 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 177.8 | 170 | 0 | 0 | 0 | 0 | 110.9 | L391 V393 Q398 Q399 I763 | L391-V395 HydrophobicContact CD2-CG2 4.08Å; L391-V395 HydrophobicContact CG-CG2 4.12Å; L391-V395 VanDerWaalsContact O-CB 3.25Å; L391-V395 WeakPolarHBondContact O-CB 2.89Å; L391-V395 WeakPolarHBondContact O-CG2 3.29Å; L391-V395 PolarHBondContact O-N 2.98Å; V393-V395 PolarHBondContact O-N 3.21Å; V395-Q398 WeakPolarHBondContact O-CB 3.46Å; V395-Q398 PolarHBondContact O-N 3Å; V395-Q399 HydrophobicContact CG1-CG 4.44Å; V395-Q399 WeakPolarHBondContact O-CB 3.45Å; V395-Q399 VanDerWaalsContact O-CG 3.3Å; V395-Q399 WeakPolarHBondContact O-CG 3.34Å; V395-Q399 PolarHBondContact O-N 3.38Å; V395-I763 HydrophobicContact CG2-CD1 4.33Å; V395-I763 HydrophobicContact CG2-CG2 4.34Å |
| 396 | R | 85.4 | Confident | 86.4 | Confident | 174 Ų | 174 | 73.1 Ų | 73.1 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 175.9 | -175 | 178.7 | -179 | -179.9 | 0.2 | 111.5 | T392 V393 Q399 M400 | T392-R396 WeakPolarHBondContact O-CB 3.33Å; T392-R396 PolarHBondContact O-N 3.32Å; V393-R396 PolarHBondContact O-N 2.65Å; R396-Q399 PolarHBondContact O-N 3.26Å; R396-M400 PolarHBondContact O-N 3.05Å |
| 397 | E | 88.4 | Confident | 86.6 | Confident | 82 Ų | 82 | 74.3 Ų | 74.3 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 174.3 | -69.8 | -175.8 | 177.1 | 0 | 0 | 112.2 | V393 L394 Q399 M400 D401 R759 | V393-E397 WeakPolarHBondContact O-CG 3.41Å; V393-E397 PolarHBondContact O-N 2.98Å; L394-E397 PolarHBondContact O-N 3.4Å; E397-Q399 VanDerWaalsContact C-N 3.34Å; E397-M400 PolarHBondContact O-N 3.2Å; E397-D401 PolarHBondContact O-N 3.43Å; E397-R759 VanDerWaalsContact CB-CZ 3.43Å; E397-R759 PolarHBondContact O-NH1 3.37Å; E397-R759 IonicContact OE2-CZ 3.51Å; E397-R759 VanDerWaalsContact OE2-CZ 3.29Å; E397-R759 IonicContact OE2-NE 3.32Å; E397-R759 PolarHBondContact OE2-NE 3.07Å; E397-R759 IonicContact OE2-NH2 2.7Å; E397-R759 PolarHBondContact OE2-NH2 3.36Å; E397-R759 VanDerWaalsContact OE2-NH2 3.1Å |
| 398 | Q | 87.8 | Confident | 86.7 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 11% | 0.107 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 174.4 | -165.7 | 76.8 | -4.3 | 0 | 0 | 111.4 | L394 V395 D401 Q402 M756 I763 | L394-Q398 WeakPolarHBondContact O-CB 3.38Å; L394-Q398 PolarHBondContact O-N 3.34Å; V395-Q398 WeakPolarHBondContact O-CB 3.46Å; V395-Q398 PolarHBondContact O-N 3Å; Q398-D401 PolarHBondContact O-N 2.93Å; Q398-Q402 VanDerWaalsContact O-CB 3.26Å; Q398-Q402 WeakPolarHBondContact O-CB 3.29Å; Q398-Q402 PolarHBondContact O-N 2.75Å; Q398-M756 HydrophobicContact CG-SD 3.87Å; Q398-M756 PolarHBondContact NE2-O 3.35Å; Q398-M756 PolarHBondContact OE1-O 3.29Å; Q398-I763 HydrophobicContact CB-CD1 3.85Å; Q398-I763 HydrophobicContact CG-CD1 3.98Å |
| 399 | Q | 86.7 | Confident | 87 | Confident | 116 Ų | 116 | 74.8 Ų | 74.8 | 54% | 0.542 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.1 | -76.7 | 174.9 | -8.4 | 0 | 0 | 111.6 | V395 R396 E397 Q402 E403 | V395-Q399 HydrophobicContact CG1-CG 4.44Å; V395-Q399 WeakPolarHBondContact O-CB 3.45Å; V395-Q399 VanDerWaalsContact O-CG 3.3Å; V395-Q399 WeakPolarHBondContact O-CG 3.34Å; V395-Q399 PolarHBondContact O-N 3.38Å; R396-Q399 PolarHBondContact O-N 3.26Å; E397-Q399 VanDerWaalsContact C-N 3.34Å; Q399-Q402 PolarHBondContact O-N 3.45Å; Q399-E403 WeakPolarHBondContact O-CG 3.48Å; Q399-E403 PolarHBondContact O-N 3.31Å |
| 400 | M | 85 | Confident | 87.2 | Confident | 108 Ų | 108 | 76.2 Ų | 76.2 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.7 | -79.5 | -171 | 43.8 | 0 | 0 | 112.9 | R396 E397 Q402 E403 L404 | R396-M400 PolarHBondContact O-N 3.05Å; E397-M400 PolarHBondContact O-N 3.2Å; M400-Q402 VanDerWaalsContact C-N 3.33Å; M400-E403 PolarHBondContact O-N 3Å; M400-L404 WeakPolarHBondContact O-CB 3.28Å; M400-L404 PolarHBondContact O-N 3.41Å |
| 401 | D | 89.1 | Confident | 87.3 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 8% | 0.075 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.2 | -32.4 | 176.8 | -79.6 | -28.6 | 0 | 0 | 0 | 111.7 | E397 Q398 L404 I405 V752 R755 M756 R759 | E397-D401 PolarHBondContact O-N 3.43Å; Q398-D401 PolarHBondContact O-N 2.93Å; D401-L404 WeakPolarHBondContact O-CB 3.3Å; D401-L404 PolarHBondContact O-N 2.9Å; D401-I405 WeakPolarHBondContact O-CG1 3.3Å; D401-I405 PolarHBondContact O-N 2.94Å; D401-V752 HydrophobicContact CB-CG1 3.69Å; D401-R755 IonicContact OD1-CZ 2.74Å; D401-R755 IonicContact OD1-NH1 3.6Å; D401-R755 PolarHBondContact OD1-NH1 2.91Å; D401-R755 IonicContact OD2-NH1 3.08Å; D401-R755 PolarHBondContact OD2-NH1 2.88Å; D401-M756 HydrophobicContact CB-CG 3.72Å; D401-M756 HydrophobicContact CB-SD 3.71Å; D401-R759 IonicContact OD2-CZ 3.62Å; D401-R759 IonicContact OD2-NH1 2.74Å; D401-R759 PolarHBondContact OD2-NH1 3.14Å; D401-R759 IonicContact OD2-NH2 3.47Å; D401-R759 PolarHBondContact OD2-NH2 3.09Å |
| 402 | Q | 87.1 | Confident | 87.4 | Confident | 72 Ų | 72 | 75 Ų | 75 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 172.2 | -179.2 | 60.7 | 45.9 | 0 | 0 | 111.6 | Q398 Q399 M400 L404 I405 D406 M756 | Q398-Q402 VanDerWaalsContact O-CB 3.26Å; Q398-Q402 WeakPolarHBondContact O-CB 3.29Å; Q398-Q402 PolarHBondContact O-N 2.75Å; Q399-Q402 PolarHBondContact O-N 3.45Å; M400-Q402 VanDerWaalsContact C-N 3.33Å; Q402-L404 VanDerWaalsContact C-N 3.28Å; Q402-L404 PolarHBondContact O-N 2.89Å; Q402-I405 PolarHBondContact O-N 3.26Å; Q402-D406 VanDerWaalsContact NE2-CG 3.32Å; Q402-D406 PolarHBondContact NE2-OD1 2.95Å; Q402-D406 PolarHBondContact NE2-OD2 2.94Å; Q402-D406 WeakPolarHBondContact O-CB 3.4Å; Q402-D406 VanDerWaalsContact O-CG 3.27Å; Q402-D406 PolarHBondContact O-N 3.27Å; Q402-M756 HydrophobicContact CB-CE 4.01Å; Q402-M756 HydrophobicContact CB-SD 4.2Å |
| 403 | E | 86.5 | Confident | 87.6 | Confident | 136 Ų | 136 | 76 Ų | 76 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -60.9 | -38 | 173.3 | -74.7 | 177.5 | -176.1 | 0 | 0 | 111.6 | Q399 M400 D406 N407 | Q399-E403 WeakPolarHBondContact O-CG 3.48Å; Q399-E403 PolarHBondContact O-N 3.31Å; M400-E403 PolarHBondContact O-N 3Å; E403-D406 PolarHBondContact O-N 3.03Å; E403-N407 WeakPolarHBondContact O-CB 3.23Å; E403-N407 PolarHBondContact O-N 3.37Å |
| 404 | L | 88 | Confident | 87.6 | Confident | 66 Ų | 66 | 75.4 Ų | 75.4 | 35% | 0.346 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 174.8 | -166.9 | 79.3 | 0 | 0 | 0 | 111.5 | M400 D401 Q402 D406 N407 D408 V752 | M400-L404 WeakPolarHBondContact O-CB 3.28Å; M400-L404 PolarHBondContact O-N 3.41Å; D401-L404 WeakPolarHBondContact O-CB 3.3Å; D401-L404 PolarHBondContact O-N 2.9Å; Q402-L404 VanDerWaalsContact C-N 3.28Å; Q402-L404 PolarHBondContact O-N 2.89Å; L404-D406 VanDerWaalsContact C-N 3.34Å; L404-D406 PolarHBondContact O-N 2.73Å; L404-N407 PolarHBondContact O-N 3.46Å; L404-D408 WeakPolarHBondContact O-CB 3.2Å; L404-D408 PolarHBondContact O-N 3.09Å; L404-V752 HydrophobicContact CD2-CG1 4.19Å; L404-V752 HydrophobicContact CD2-CG2 3.67Å |
| 405 | I | 88.8 | Confident | 87.6 | Confident | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 174.5 | -75.1 | 173.4 | 0 | 0 | 0 | 110.9 | D401 Q402 N407 D408 K409 V752 A753 M756 | D401-I405 WeakPolarHBondContact O-CG1 3.3Å; D401-I405 PolarHBondContact O-N 2.94Å; Q402-I405 PolarHBondContact O-N 3.26Å; I405-N407 VanDerWaalsContact C-N 3.34Å; I405-D408 PolarHBondContact O-N 3.22Å; I405-K409 HydrophobicContact CG2-CD 3.78Å; I405-K409 HydrophobicContact CG2-CG 4.21Å; I405-K409 VanDerWaalsContact O-CB 3.26Å; I405-K409 WeakPolarHBondContact O-CB 3.33Å; I405-K409 VanDerWaalsContact O-CG 3.24Å; I405-K409 WeakPolarHBondContact O-CG 3.45Å; I405-K409 PolarHBondContact O-N 3.39Å; I405-V752 HydrophobicContact CD1-CB 4.15Å; I405-V752 HydrophobicContact CD1-CG1 3.83Å; I405-V752 HydrophobicContact CG1-CB 3.9Å; I405-V752 HydrophobicContact CG1-CG1 3.63Å; I405-A753 HydrophobicContact CD1-CB 4.18Å; I405-M756 HydrophobicContact CD1-CE 4.29Å; I405-M756 HydrophobicContact CD1-CG 4.3Å |
| 406 | D | 86.8 | Confident | 87.7 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.3 | -36.6 | -178.6 | -69.8 | -24.5 | 0 | 0 | 0 | 111.2 | Q402 E403 L404 R410 | Q402-D406 VanDerWaalsContact NE2-CG 3.32Å; Q402-D406 PolarHBondContact NE2-OD1 2.95Å; Q402-D406 PolarHBondContact NE2-OD2 2.94Å; Q402-D406 WeakPolarHBondContact O-CB 3.4Å; Q402-D406 VanDerWaalsContact O-CG 3.27Å; Q402-D406 PolarHBondContact O-N 3.27Å; E403-D406 PolarHBondContact O-N 3.03Å; L404-D406 VanDerWaalsContact C-N 3.34Å; L404-D406 PolarHBondContact O-N 2.73Å; D406-R410 VanDerWaalsContact O-CB 3.27Å; D406-R410 WeakPolarHBondContact O-CB 3.17Å; D406-R410 PolarHBondContact O-N 3.36Å |
| 407 | N | 87.1 | Confident | 87.8 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.4 | -45.7 | 172.1 | -167.2 | 26.2 | 0 | 0 | 0 | 112.1 | E403 L404 I405 K409 R410 C411 | E403-N407 WeakPolarHBondContact O-CB 3.23Å; E403-N407 PolarHBondContact O-N 3.37Å; L404-N407 PolarHBondContact O-N 3.46Å; I405-N407 VanDerWaalsContact C-N 3.34Å; N407-K409 PolarHBondContact O-N 3.33Å; N407-R410 WeakPolarHBondContact O-CB 3.39Å; N407-R410 PolarHBondContact O-N 3.44Å; N407-C411 WeakPolarHBondContact O-CB 3.43Å; N407-C411 PolarHBondContact O-N 2.89Å; N407-C411 PolarHBondContact O-SG 3.35Å; N407-C411 VanDerWaalsContact O-SG 3.36Å |
| 408 | D | 88.8 | Confident | 87.7 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 5% | 0.048 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 177.5 | -86.4 | -5.6 | 0 | 0 | 0 | 111.7 | L404 I405 R410 C411 Q412 Y745 R748 I749 | L404-D408 WeakPolarHBondContact O-CB 3.2Å; L404-D408 PolarHBondContact O-N 3.09Å; I405-D408 PolarHBondContact O-N 3.22Å; D408-R410 VanDerWaalsContact C-N 3.34Å; D408-C411 PolarHBondContact O-N 3.16Å; D408-Q412 VanDerWaalsContact O-CB 3.24Å; D408-Q412 WeakPolarHBondContact O-CB 3.47Å; D408-Q412 PolarHBondContact O-N 3.23Å; D408-Y745 HydrophobicContact CB-CD1 4.15Å; D408-R748 IonicContact OD1-NH1 3.3Å; D408-R748 IonicContact OD2-NH1 3.74Å; D408-I749 HydrophobicContact CB-CD1 4.42Å; D408-I749 HydrophobicContact CB-CG1 3.95Å |
| 409 | K | 88.7 | Confident | 87.8 | Confident | 98 Ų | 98 | 72.3 Ų | 72.3 | 43% | 0.426 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 171.9 | -78.9 | 175 | -178.5 | 165.7 | 0 | 111.6 | I405 N407 Q412 H413 I749 | I405-K409 HydrophobicContact CG2-CD 3.78Å; I405-K409 HydrophobicContact CG2-CG 4.21Å; I405-K409 VanDerWaalsContact O-CB 3.26Å; I405-K409 WeakPolarHBondContact O-CB 3.33Å; I405-K409 VanDerWaalsContact O-CG 3.24Å; I405-K409 WeakPolarHBondContact O-CG 3.45Å; I405-K409 PolarHBondContact O-N 3.39Å; N407-K409 PolarHBondContact O-N 3.33Å; K409-Q412 PolarHBondContact O-N 2.73Å; K409-H413 VanDerWaalsContact O-CB 3.29Å; K409-H413 WeakPolarHBondContact O-CB 3.48Å; K409-H413 PolarHBondContact O-N 2.99Å; K409-I749 HydrophobicContact CG-CD1 4.02Å |
| 410 | R | 87.5 | Confident | 88 | Confident | 174 Ų | 174 | 72.9 Ų | 72.9 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.6 | -48.8 | 176 | -171.3 | 179.9 | -170.8 | 174.8 | 4.3 | 110.9 | D406 N407 D408 Q412 H413 D414 | D406-R410 VanDerWaalsContact O-CB 3.27Å; D406-R410 WeakPolarHBondContact O-CB 3.17Å; D406-R410 PolarHBondContact O-N 3.36Å; N407-R410 WeakPolarHBondContact O-CB 3.39Å; N407-R410 PolarHBondContact O-N 3.44Å; D408-R410 VanDerWaalsContact C-N 3.34Å; R410-Q412 PolarHBondContact O-N 3.1Å; R410-H413 WeakPolarHBondContact O-CB 3.16Å; R410-H413 PolarHBondContact O-N 2.86Å; R410-D414 VanDerWaalsContact O-CG 3.3Å; R410-D414 PolarHBondContact O-N 3.13Å |
| 411 | C | 87.7 | Confident | 88.1 | Confident | 33 Ų | 33 | 73 Ų | 73 | 22% | 0.223 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 174.5 | -71.1 | 0 | 0 | 0 | 0 | 111.5 | N407 D408 H413 D414 F415 Y745 | N407-C411 WeakPolarHBondContact O-CB 3.43Å; N407-C411 PolarHBondContact O-N 2.89Å; N407-C411 PolarHBondContact O-SG 3.35Å; N407-C411 VanDerWaalsContact O-SG 3.36Å; D408-C411 PolarHBondContact O-N 3.16Å; C411-H413 VanDerWaalsContact C-N 3.31Å; C411-H413 PolarHBondContact O-N 3.39Å; C411-D414 PolarHBondContact O-N 3.26Å; C411-F415 WeakPolarHBondContact O-CD2 3.35Å; C411-F415 PolarHBondContact O-N 3.5Å; C411-Y745 HydrophobicContact CB-CD1 4.36Å; C411-Y745 HydrophobicContact CB-CE1 3.74Å; C411-Y745 HydrophobicContact CB-CE2 4.47Å |
| 412 | Q | 89.3 | Confident | 88.1 | Confident | 59 Ų | 59 | 74.7 Ų | 74.7 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 175.5 | -171.9 | -175.7 | 29.3 | 0 | 0 | 111.3 | D408 K409 R410 T416 V742 Y745 | D408-Q412 VanDerWaalsContact O-CB 3.24Å; D408-Q412 WeakPolarHBondContact O-CB 3.47Å; D408-Q412 PolarHBondContact O-N 3.23Å; K409-Q412 PolarHBondContact O-N 2.73Å; R410-Q412 PolarHBondContact O-N 3.1Å; Q412-T416 VanDerWaalsContact O-CB 3.25Å; Q412-T416 WeakPolarHBondContact O-CB 3.47Å; Q412-T416 PolarHBondContact O-N 3Å; Q412-T416 PolarHBondContact O-OG1 3.46Å; Q412-V742 HydrophobicContact CG-CG1 4.32Å; Q412-Y745 HydrophobicContact CB-CD2 4.37Å; Q412-Y745 HydrophobicContact CB-CG 4.22Å |
| 413 | H | 89.1 | Confident | 88.2 | Confident | 105 Ų | 105 | 74.1 Ų | 74.1 | 49% | 0.486 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.5 | -172.8 | 76.8 | 0 | 0 | 0 | 111.7 | K409 R410 C411 T416 Q417 | K409-H413 VanDerWaalsContact O-CB 3.29Å; K409-H413 WeakPolarHBondContact O-CB 3.48Å; K409-H413 PolarHBondContact O-N 2.99Å; R410-H413 WeakPolarHBondContact O-CB 3.16Å; R410-H413 PolarHBondContact O-N 2.86Å; C411-H413 VanDerWaalsContact C-N 3.31Å; C411-H413 PolarHBondContact O-N 3.39Å; H413-T416 PolarHBondContact O-N 2.88Å; H413-Q417 PolarHBondContact NE2-NE2 3.38Å; H413-Q417 WeakPolarHBondContact O-CG 3.48Å; H413-Q417 PolarHBondContact O-N 2.88Å |
| 414 | D | 86.7 | Confident | 88.4 | Confident | 69 Ų | 69 | 72 Ų | 72 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 178.6 | -70.3 | -12.2 | 0 | 0 | 0 | 111.5 | R410 C411 Q417 K418 | R410-D414 VanDerWaalsContact O-CG 3.3Å; R410-D414 PolarHBondContact O-N 3.13Å; C411-D414 PolarHBondContact O-N 3.26Å; D414-Q417 PolarHBondContact O-N 2.85Å; D414-K418 WeakPolarHBondContact O-CG 3.37Å; D414-K418 PolarHBondContact O-N 3.42Å |
| 415 | F | 88 | Confident | 88.4 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 18% | 0.184 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 174.3 | -78.3 | -70.7 | 0 | 0 | 0 | 112.1 | C411 Q417 K418 V419 M738 E741 V742 Y745 | C411-F415 WeakPolarHBondContact O-CD2 3.35Å; C411-F415 PolarHBondContact O-N 3.5Å; F415-Q417 PolarHBondContact O-N 3.49Å; F415-K418 HydrophobicContact CD1-CD 4.44Å; F415-K418 PolarHBondContact O-N 3.36Å; F415-V419 WeakPolarHBondContact O-CG2 3.48Å; F415-V419 PolarHBondContact O-N 3.46Å; F415-M738 HydrophobicContact CD1-SD 3.89Å; F415-M738 HydrophobicContact CE1-SD 4.04Å; F415-E741 HydrophobicContact CD1-CB 4.14Å; F415-E741 HydrophobicContact CE1-CB 4.21Å; F415-E741 HydrophobicContact CE1-CG 4.35Å; F415-E741 HydrophobicContact CG-CB 4.38Å; F415-V742 HydrophobicContact CB-CG2 3.64Å; F415-Y745 AromaticContact CD2-CE2 3.69Å; F415-Y745 HydrophobicContact CD2-CE2 3.69Å; F415-Y745 AromaticContact CE2-CE2 3.98Å; F415-Y745 HydrophobicContact CE2-CE2 3.98Å; F415-Y745 WeakPolarHBondContact CE2-OH 3.38Å |
| 416 | T | 89.1 | Confident | 88.5 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 28% | 0.282 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 175.5 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | Q412 H413 V419 K420 | Q412-T416 VanDerWaalsContact O-CB 3.25Å; Q412-T416 WeakPolarHBondContact O-CB 3.47Å; Q412-T416 PolarHBondContact O-N 3Å; Q412-T416 PolarHBondContact O-OG1 3.46Å; H413-T416 PolarHBondContact O-N 2.88Å; T416-V419 PolarHBondContact O-N 2.98Å; T416-K420 WeakPolarHBondContact O-CG 3.34Å; T416-K420 PolarHBondContact O-N 2.7Å |
| 417 | Q | 87.6 | Confident | 88.6 | Confident | 89 Ų | 89 | 74.6 Ų | 74.6 | 42% | 0.416 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 173.1 | -74.8 | -164.2 | 0.1 | 0 | 0 | 111.5 | H413 D414 F415 V419 K420 Q421 | H413-Q417 PolarHBondContact NE2-NE2 3.38Å; H413-Q417 WeakPolarHBondContact O-CG 3.48Å; H413-Q417 PolarHBondContact O-N 2.88Å; D414-Q417 PolarHBondContact O-N 2.85Å; F415-Q417 PolarHBondContact O-N 3.49Å; Q417-V419 PolarHBondContact O-N 2.97Å; Q417-K420 PolarHBondContact O-N 3.22Å; Q417-Q421 WeakPolarHBondContact O-CG 3.43Å; Q417-Q421 PolarHBondContact O-N 3.06Å |
| 418 | K | 86.7 | Confident | 88.8 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175 | -72.5 | 172.7 | -175.9 | 173.6 | 0 | 112.1 | D414 F415 Q421 K422 | D414-K418 WeakPolarHBondContact O-CG 3.37Å; D414-K418 PolarHBondContact O-N 3.42Å; F415-K418 HydrophobicContact CD1-CD 4.44Å; F415-K418 PolarHBondContact O-N 3.36Å; K418-Q421 PolarHBondContact O-N 3.47Å; K418-K422 WeakPolarHBondContact O-CB 3.49Å; K418-K422 VanDerWaalsContact O-CG 3.25Å; K418-K422 WeakPolarHBondContact O-CG 3.07Å; K418-K422 PolarHBondContact O-N 2.99Å |
| 419 | V | 89.9 | Confident | 88.8 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 174.1 | 169 | 0 | 0 | 0 | 0 | 110.2 | F415 T416 Q417 Q421 K422 E423 L735 M738 R739 V742 | F415-V419 WeakPolarHBondContact O-CG2 3.48Å; F415-V419 PolarHBondContact O-N 3.46Å; T416-V419 PolarHBondContact O-N 2.98Å; Q417-V419 PolarHBondContact O-N 2.97Å; V419-Q421 VanDerWaalsContact C-N 3.35Å; V419-Q421 PolarHBondContact O-N 3.35Å; V419-K422 PolarHBondContact O-N 2.78Å; V419-E423 HydrophobicContact CG1-CG 4.3Å; V419-E423 WeakPolarHBondContact CG1-OE1 3.45Å; V419-E423 WeakPolarHBondContact O-CB 3.24Å; V419-E423 VanDerWaalsContact O-CG 3.31Å; V419-E423 WeakPolarHBondContact O-CG 3.16Å; V419-E423 PolarHBondContact O-N 3.07Å; V419-L735 HydrophobicContact CG1-CD2 4.15Å; V419-M738 HydrophobicContact CG2-CB 3.65Å; V419-R739 HydrophobicContact CG1-CG 4.02Å; V419-R739 HydrophobicContact CG2-CG 4.15Å; V419-V742 HydrophobicContact CG2-CG2 4.15Å |
| 420 | K | 89.4 | Confident | 88.9 | Confident | 129 Ų | 129 | 73.1 Ų | 73.1 | 56% | 0.561 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | 176.5 | -74.5 | 179.6 | 179 | -178.3 | 0 | 112.3 | T416 Q417 E423 T424 | T416-K420 WeakPolarHBondContact O-CG 3.34Å; T416-K420 PolarHBondContact O-N 2.7Å; Q417-K420 PolarHBondContact O-N 3.22Å; K420-E423 PolarHBondContact O-N 3.31Å; K420-T424 WeakPolarHBondContact O-CG2 3.33Å; K420-T424 PolarHBondContact O-N 3.07Å |
| 421 | Q | 88.3 | Confident | 89 | Confident | 109 Ų | 109 | 72.9 Ų | 72.9 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59 | -49.4 | 176.3 | -73.6 | 172.5 | -0.9 | 0 | 0 | 111.1 | Q417 K418 V419 E423 T424 E425 | Q417-Q421 WeakPolarHBondContact O-CG 3.43Å; Q417-Q421 PolarHBondContact O-N 3.06Å; K418-Q421 PolarHBondContact O-N 3.47Å; V419-Q421 VanDerWaalsContact C-N 3.35Å; V419-Q421 PolarHBondContact O-N 3.35Å; Q421-E423 VanDerWaalsContact C-N 3.33Å; Q421-E423 PolarHBondContact O-N 3.12Å; Q421-T424 PolarHBondContact O-N 3.31Å; Q421-T424 VanDerWaalsContact O-N 3.14Å; Q421-T424 PolarHBondContact O-OG1 3.23Å; Q421-E425 PolarHBondContact O-N 3.18Å |
| 422 | K | 88.5 | Confident | 89 | Confident | 51 Ų | 51 | 76.3 Ų | 76.3 | 22% | 0.222 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 178.6 | -68.4 | -75 | 175.5 | 174.4 | 0 | 112.9 | K418 V419 E425 L426 L731 E734 L735 | K418-K422 WeakPolarHBondContact O-CB 3.49Å; K418-K422 VanDerWaalsContact O-CG 3.25Å; K418-K422 WeakPolarHBondContact O-CG 3.07Å; K418-K422 PolarHBondContact O-N 2.99Å; V419-K422 PolarHBondContact O-N 2.78Å; K422-E425 IonicContact NZ-OE2 3.7Å; K422-E425 PolarHBondContact O-N 3.26Å; K422-L426 WeakPolarHBondContact O-CB 3.48Å; K422-L426 PolarHBondContact O-N 2.74Å; K422-L731 HydrophobicContact CD-CD1 3.5Å; K422-E734 WeakPolarHBondContact CE-OE2 3.23Å; K422-E734 IonicContact NZ-OE2 2.75Å; K422-E734 PolarHBondContact NZ-OE2 2.64Å; K422-L735 HydrophobicContact CB-CD2 3.51Å; K422-L735 HydrophobicContact CB-CG 3.93Å |
| 423 | E | 90.5 | Very high | 89 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 171.3 | -74.9 | 171.6 | 171.8 | 0 | 0 | 111.4 | V419 K420 Q421 E425 L426 D427 L735 R739 | V419-E423 HydrophobicContact CG1-CG 4.3Å; V419-E423 WeakPolarHBondContact CG1-OE1 3.45Å; V419-E423 WeakPolarHBondContact O-CB 3.24Å; V419-E423 VanDerWaalsContact O-CG 3.31Å; V419-E423 WeakPolarHBondContact O-CG 3.16Å; V419-E423 PolarHBondContact O-N 3.07Å; K420-E423 PolarHBondContact O-N 3.31Å; Q421-E423 VanDerWaalsContact C-N 3.33Å; Q421-E423 PolarHBondContact O-N 3.12Å; E423-E425 VanDerWaalsContact C-N 3.34Å; E423-E425 PolarHBondContact O-N 3.39Å; E423-L426 WeakPolarHBondContact O-CB 3.37Å; E423-L426 PolarHBondContact O-N 2.84Å; E423-D427 PolarHBondContact O-N 2.85Å; E423-L735 HydrophobicContact CG-CD1 4.31Å; E423-L735 HydrophobicContact CG-CD2 3.83Å; E423-R739 IonicContact OE1-CZ 2.76Å; E423-R739 IonicContact OE1-NE 3Å; E423-R739 PolarHBondContact OE1-NE 2.92Å; E423-R739 IonicContact OE1-NH2 3.2Å; E423-R739 PolarHBondContact OE1-NH2 2.93Å |
| 424 | T | 90.2 | Very high | 89.1 | Confident | 91 Ų | 91 | 75.4 Ų | 75.4 | 56% | 0.558 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.2 | -35.9 | 175.4 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | K420 Q421 A428 | K420-T424 WeakPolarHBondContact O-CG2 3.33Å; K420-T424 PolarHBondContact O-N 3.07Å; Q421-T424 PolarHBondContact O-N 3.31Å; Q421-T424 VanDerWaalsContact O-N 3.14Å; Q421-T424 PolarHBondContact O-OG1 3.23Å; T424-A428 WeakPolarHBondContact O-CB 3.3Å; T424-A428 PolarHBondContact O-N 2.95Å |
| 425 | E | 88.2 | Confident | 89.2 | Confident | 92 Ų | 92 | 79.1 Ų | 79.1 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 172.2 | -72.8 | 177.6 | -169.9 | 0 | 0 | 111.2 | Q421 K422 E423 A428 L429 L731 | Q421-E425 PolarHBondContact O-N 3.18Å; K422-E425 IonicContact NZ-OE2 3.7Å; K422-E425 PolarHBondContact O-N 3.26Å; E423-E425 VanDerWaalsContact C-N 3.34Å; E423-E425 PolarHBondContact O-N 3.39Å; E425-A428 PolarHBondContact O-N 3.28Å; E425-L429 WeakPolarHBondContact O-CG 3.46Å; E425-L429 PolarHBondContact O-N 2.97Å; E425-L731 HydrophobicContact CB-CD2 3.8Å |
| 426 | L | 90.6 | Very high | 89.3 | Confident | 26 Ų | 26 | 78.2 Ų | 78.2 | 14% | 0.136 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 177.9 | -175.8 | 147.2 | 0 | 0 | 0 | 110.9 | K422 E423 A428 L429 H430 L731 E732 L735 | K422-L426 WeakPolarHBondContact O-CB 3.48Å; K422-L426 PolarHBondContact O-N 2.74Å; E423-L426 WeakPolarHBondContact O-CB 3.37Å; E423-L426 PolarHBondContact O-N 2.84Å; L426-A428 VanDerWaalsContact C-N 3.31Å; L426-A428 PolarHBondContact O-N 2.97Å; L426-L429 PolarHBondContact O-N 3.12Å; L426-H430 WeakPolarHBondContact CD2-CE1 3.47Å; L426-H430 WeakPolarHBondContact CD2-ND1 3.28Å; L426-H430 PolarHBondContact O-N 3.24Å; L426-H430 PolarHBondContact O-ND1 3.42Å; L426-L731 HydrophobicContact CB-CD2 3.67Å; L426-E732 HydrophobicContact CD1-CG 3.74Å; L426-L735 HydrophobicContact CB-CD1 4.25Å; L426-L735 HydrophobicContact CD1-CD1 3.53Å; L426-L735 HydrophobicContact CG-CD1 4.48Å |
| 427 | D | 89.7 | Confident | 89.4 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 175.5 | -79.1 | -13.4 | 0 | 0 | 0 | 111.9 | E423 H430 R431 | E423-D427 PolarHBondContact O-N 2.85Å; D427-H430 PolarHBondContact O-N 3.01Å; D427-R431 WeakPolarHBondContact O-CG 3.41Å; D427-R431 PolarHBondContact O-N 3.18Å |
| 428 | A | 89.8 | Confident | 89.5 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 49% | 0.488 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T424 E425 L426 R432 | T424-A428 WeakPolarHBondContact O-CB 3.3Å; T424-A428 PolarHBondContact O-N 2.95Å; E425-A428 PolarHBondContact O-N 3.28Å; L426-A428 VanDerWaalsContact C-N 3.31Å; L426-A428 PolarHBondContact O-N 2.97Å; A428-R432 WeakPolarHBondContact O-CB 3.18Å; A428-R432 PolarHBondContact O-N 3.24Å |
| 429 | L | 89.3 | Confident | 89.6 | Confident | 31 Ų | 31 | 75.7 Ų | 75.7 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 174.4 | -71.1 | 176.9 | 0 | 0 | 0 | 112.2 | E425 L426 R432 L433 T723 L727 I728 L731 | E425-L429 WeakPolarHBondContact O-CG 3.46Å; E425-L429 PolarHBondContact O-N 2.97Å; L426-L429 PolarHBondContact O-N 3.12Å; L429-R432 WeakPolarHBondContact O-CB 3.27Å; L429-R432 PolarHBondContact O-N 3.21Å; L429-L433 WeakPolarHBondContact O-CB 3.37Å; L429-L433 PolarHBondContact O-N 2.9Å; L429-T723 HydrophobicContact CD2-CG2 4.3Å; L429-L727 HydrophobicContact CD1-CB 3.96Å; L429-L727 HydrophobicContact CD2-CD1 4.27Å; L429-I728 HydrophobicContact CB-CD1 4.41Å; L429-I728 HydrophobicContact CB-CG1 3.95Å; L429-I728 HydrophobicContact CD1-CG1 4.24Å; L429-L731 HydrophobicContact CD1-CD2 3.99Å |
| 430 | H | 90.3 | Very high | 89.7 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 35% | 0.352 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 174.4 | -78.1 | 88.7 | 0 | 0 | 0 | 111.9 | L426 D427 R432 L433 E434 | L426-H430 WeakPolarHBondContact CD2-CE1 3.47Å; L426-H430 WeakPolarHBondContact CD2-ND1 3.28Å; L426-H430 PolarHBondContact O-N 3.24Å; L426-H430 PolarHBondContact O-ND1 3.42Å; D427-H430 PolarHBondContact O-N 3.01Å; H430-R432 VanDerWaalsContact C-N 3.29Å; H430-R432 PolarHBondContact O-N 3.05Å; H430-L433 WeakPolarHBondContact O-CB 3.37Å; H430-L433 PolarHBondContact O-N 2.92Å; H430-L433 VanDerWaalsContact O-N 3.15Å; H430-E434 PolarHBondContact O-N 3.47Å |
| 431 | R | 89.3 | Confident | 89.8 | Confident | 169 Ų | 169 | 74.9 Ų | 74.9 | 64% | 0.638 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62 | -36.2 | 174.2 | -70.9 | 177.8 | -170.4 | -141.4 | 5.3 | 112.3 | D427 K435 | D427-R431 WeakPolarHBondContact O-CG 3.41Å; D427-R431 PolarHBondContact O-N 3.18Å; R431-K435 WeakPolarHBondContact O-CG 3.23Å; R431-K435 PolarHBondContact O-N 2.96Å; R431-K435 VanDerWaalsContact O-N 3.1Å |
| 432 | R | 88.7 | Confident | 89.9 | Confident | 104 Ų | 104 | 72.3 Ų | 72.3 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 173.8 | 178 | -179.7 | 172 | -169.5 | -6.6 | 110.8 | A428 L429 H430 K435 L436 D719 | A428-R432 WeakPolarHBondContact O-CB 3.18Å; A428-R432 PolarHBondContact O-N 3.24Å; L429-R432 WeakPolarHBondContact O-CB 3.27Å; L429-R432 PolarHBondContact O-N 3.21Å; H430-R432 VanDerWaalsContact C-N 3.29Å; H430-R432 PolarHBondContact O-N 3.05Å; R432-K435 PolarHBondContact O-N 3.36Å; R432-L436 VanDerWaalsContact O-CB 3.28Å; R432-L436 WeakPolarHBondContact O-CB 3.27Å; R432-L436 PolarHBondContact O-N 3.38Å; R432-D719 IonicContact CZ-OD2 2.86Å; R432-D719 VanDerWaalsContact NH2-CG 3.32Å; R432-D719 IonicContact NH2-OD1 2.68Å; R432-D719 PolarHBondContact NH2-OD1 3.26Å; R432-D719 IonicContact NH2-OD2 2.71Å; R432-D719 PolarHBondContact NH2-OD2 3.47Å |
| 433 | L | 90.1 | Very high | 90 | Very high | 24 Ų | 24 | 70 Ų | 70 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 178.9 | -170.6 | 167.5 | 0 | 0 | 0 | 111.1 | L429 H430 L436 N437 E724 I728 | L429-L433 WeakPolarHBondContact O-CB 3.37Å; L429-L433 PolarHBondContact O-N 2.9Å; H430-L433 WeakPolarHBondContact O-CB 3.37Å; H430-L433 PolarHBondContact O-N 2.92Å; H430-L433 VanDerWaalsContact O-N 3.15Å; L433-L436 PolarHBondContact O-N 3.39Å; L433-N437 WeakPolarHBondContact CD2-ND2 3.5Å; L433-N437 WeakPolarHBondContact O-CB 3.3Å; L433-N437 PolarHBondContact O-N 3.32Å; L433-E724 HydrophobicContact CD1-CG 3.3Å; L433-E724 HydrophobicContact CG-CG 4.09Å; L433-I728 HydrophobicContact CD1-CD1 3.47Å; L433-I728 VanDerWaalsContact CD1-CD1 3.47Å |
| 434 | E | 89.8 | Confident | 90 | Very high | 121 Ų | 121 | 70.5 Ų | 70.5 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -58 | -53.2 | 173.4 | -169.8 | 178.4 | -165.2 | 0 | 0 | 111.5 | H430 L436 N437 D438 | H430-E434 PolarHBondContact O-N 3.47Å; E434-L436 VanDerWaalsContact C-N 3.26Å; E434-L436 PolarHBondContact O-N 3.41Å; E434-N437 WeakPolarHBondContact O-CB 3.47Å; E434-N437 PolarHBondContact O-N 2.93Å; E434-N437 VanDerWaalsContact O-N 3.09Å; E434-D438 PolarHBondContact O-N 3.39Å |
| 435 | K | 89.6 | Confident | 90.1 | Very high | 147 Ų | 147 | 70.1 Ų | 70.1 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.4 | -37.2 | 175.8 | -72.1 | 176.8 | -178.5 | -179.6 | 0 | 113.3 | R431 R432 S439 | R431-K435 WeakPolarHBondContact O-CG 3.23Å; R431-K435 PolarHBondContact O-N 2.96Å; R431-K435 VanDerWaalsContact O-N 3.1Å; R432-K435 PolarHBondContact O-N 3.36Å; K435-S439 WeakPolarHBondContact O-CB 3.38Å; K435-S439 PolarHBondContact O-N 3.25Å; K435-S439 PolarHBondContact O-OG 2.79Å |
| 436 | L | 89.2 | Confident | 90.2 | Very high | 23 Ų | 23 | 69.8 Ų | 69.8 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.5 | -39.2 | 178.7 | -162.1 | 108.1 | 0 | 0 | 0 | 110.7 | R432 L433 E434 S439 I440 M716 D719 K720 | R432-L436 VanDerWaalsContact O-CB 3.28Å; R432-L436 WeakPolarHBondContact O-CB 3.27Å; R432-L436 PolarHBondContact O-N 3.38Å; L433-L436 PolarHBondContact O-N 3.39Å; E434-L436 VanDerWaalsContact C-N 3.26Å; E434-L436 PolarHBondContact O-N 3.41Å; L436-S439 PolarHBondContact O-N 3.32Å; L436-I440 HydrophobicContact CD2-CD1 3.94Å; L436-I440 HydrophobicContact CG-CD1 4.31Å; L436-I440 WeakPolarHBondContact O-CB 3.39Å; L436-I440 WeakPolarHBondContact O-CD1 3.36Å; L436-I440 WeakPolarHBondContact O-CG1 3.23Å; L436-I440 PolarHBondContact O-N 2.94Å; L436-M716 WeakPolarHBondContact CD2-O 3.46Å; L436-D719 HydrophobicContact CD1-CB 4.41Å; L436-D719 WeakPolarHBondContact CD1-OD2 3.49Å; L436-K720 VanDerWaalsContact CD2-CA 3.43Å; L436-K720 HydrophobicContact CD2-CB 3.39Å; L436-K720 HydrophobicContact CD2-CG 4.04Å |
| 437 | N | 90.8 | Very high | 90.2 | Very high | 40 Ų | 40 | 69.2 Ų | 69.2 | 21% | 0.214 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 171.6 | -83.3 | -28.5 | 0 | 0 | 0 | 111.7 | L433 E434 S439 I440 Q441 K720 | L433-N437 WeakPolarHBondContact CD2-ND2 3.5Å; L433-N437 WeakPolarHBondContact O-CB 3.3Å; L433-N437 PolarHBondContact O-N 3.32Å; E434-N437 WeakPolarHBondContact O-CB 3.47Å; E434-N437 PolarHBondContact O-N 2.93Å; E434-N437 VanDerWaalsContact O-N 3.09Å; N437-S439 VanDerWaalsContact C-N 3.31Å; N437-S439 PolarHBondContact O-N 3.16Å; N437-I440 PolarHBondContact O-N 3.44Å; N437-Q441 WeakPolarHBondContact O-CG 3.12Å; N437-Q441 PolarHBondContact O-N 2.8Å; N437-K720 WeakPolarHBondContact OD1-CD 3.45Å; N437-K720 WeakPolarHBondContact OD1-CE 3.32Å; N437-K720 PolarHBondContact OD1-NZ 2.79Å |
| 438 | D | 90.6 | Very high | 90.2 | Very high | 89 Ų | 89 | 71.5 Ų | 71.5 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.8 | -66 | -18.2 | 0 | 0 | 0 | 111.6 | E434 Q441 S442 | E434-D438 PolarHBondContact O-N 3.39Å; D438-Q441 PolarHBondContact O-N 2.99Å; D438-S442 WeakPolarHBondContact O-CB 3.35Å; D438-S442 PolarHBondContact O-N 2.85Å; D438-S442 PolarHBondContact O-OG 3.46Å |
| 439 | S | 89 | Confident | 90.3 | Very high | 48 Ų | 48 | 72.7 Ų | 72.7 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | K435 L436 N437 S442 T443 | K435-S439 WeakPolarHBondContact O-CB 3.38Å; K435-S439 PolarHBondContact O-N 3.25Å; K435-S439 PolarHBondContact O-OG 2.79Å; L436-S439 PolarHBondContact O-N 3.32Å; N437-S439 VanDerWaalsContact C-N 3.31Å; N437-S439 PolarHBondContact O-N 3.16Å; S439-S442 WeakPolarHBondContact CA-OG 3.32Å; S439-S442 PolarHBondContact O-OG 3Å; S439-T443 WeakPolarHBondContact O-CB 3.26Å; S439-T443 PolarHBondContact O-N 3.35Å; S439-T443 PolarHBondContact O-OG1 3.37Å |
| 440 | I | 91.7 | Very high | 90.3 | Very high | 9 Ų | 9 | 73 Ų | 73 | 5% | 0.046 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.7 | -47.3 | 174.8 | -71.4 | 161.7 | 0 | 0 | 0 | 109.9 | L436 N437 T443 Q444 M716 L717 K720 | L436-I440 HydrophobicContact CD2-CD1 3.94Å; L436-I440 HydrophobicContact CG-CD1 4.31Å; L436-I440 WeakPolarHBondContact O-CB 3.39Å; L436-I440 WeakPolarHBondContact O-CD1 3.36Å; L436-I440 WeakPolarHBondContact O-CG1 3.23Å; L436-I440 PolarHBondContact O-N 2.94Å; N437-I440 PolarHBondContact O-N 3.44Å; I440-T443 PolarHBondContact O-N 3.28Å; I440-Q444 HydrophobicContact CG2-CG 4.29Å; I440-Q444 WeakPolarHBondContact O-CB 3.32Å; I440-Q444 VanDerWaalsContact O-CG 3.23Å; I440-Q444 WeakPolarHBondContact O-CG 3.43Å; I440-Q444 PolarHBondContact O-N 3.33Å; I440-M716 HydrophobicContact CD1-CB 4.18Å; I440-M716 HydrophobicContact CG1-CB 3.76Å; I440-M716 HydrophobicContact CG1-CE 4.24Å; I440-M716 HydrophobicContact CG1-SD 4.48Å; I440-L717 HydrophobicContact CD1-CD2 4.22Å; I440-L717 HydrophobicContact CG2-CD2 4.41Å; I440-K720 HydrophobicContact CD1-CB 4.28Å; I440-K720 HydrophobicContact CD1-CD 4.06Å |
| 441 | Q | 91.2 | Very high | 90.3 | Very high | 115 Ų | 115 | 73.6 Ų | 73.6 | 54% | 0.537 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 179.3 | -73.4 | -174.6 | 10.6 | 0 | 0 | 112.2 | N437 D438 Q444 N445 | N437-Q441 WeakPolarHBondContact O-CG 3.12Å; N437-Q441 PolarHBondContact O-N 2.8Å; D438-Q441 PolarHBondContact O-N 2.99Å; Q441-Q444 PolarHBondContact O-N 3.45Å; Q441-N445 WeakPolarHBondContact O-CB 3.3Å; Q441-N445 VanDerWaalsContact O-CG 3.23Å; Q441-N445 PolarHBondContact O-N 3.5Å; Q441-N445 PolarHBondContact O-ND2 3.04Å |
| 442 | S | 91.2 | Very high | 90.4 | Very high | 55 Ų | 55 | 72 Ų | 72 | 39% | 0.385 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 175.6 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | D438 S439 Q444 N445 E446 | D438-S442 WeakPolarHBondContact O-CB 3.35Å; D438-S442 PolarHBondContact O-N 2.85Å; D438-S442 PolarHBondContact O-OG 3.46Å; S439-S442 WeakPolarHBondContact CA-OG 3.32Å; S439-S442 PolarHBondContact O-OG 3Å; S442-Q444 VanDerWaalsContact C-N 3.33Å; S442-Q444 PolarHBondContact O-N 2.92Å; S442-N445 PolarHBondContact O-N 3.26Å; S442-E446 WeakPolarHBondContact O-CG 3.36Å; S442-E446 PolarHBondContact O-N 3.31Å |
| 443 | T | 89.5 | Confident | 90.3 | Very high | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.9 | -35.3 | 177.5 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | S439 I440 E446 I447 L709 I713 M716 | S439-T443 WeakPolarHBondContact O-CB 3.26Å; S439-T443 PolarHBondContact O-N 3.35Å; S439-T443 PolarHBondContact O-OG1 3.37Å; I440-T443 PolarHBondContact O-N 3.28Å; T443-E446 PolarHBondContact O-N 3.02Å; T443-I447 WeakPolarHBondContact O-CG1 3.5Å; T443-I447 PolarHBondContact O-N 2.74Å; T443-L709 HydrophobicContact CG2-CB 4.35Å; T443-L709 HydrophobicContact CG2-CD2 4.04Å; T443-I713 HydrophobicContact CG2-CD1 3.88Å; T443-I713 HydrophobicContact CG2-CG1 3.49Å; T443-I713 VanDerWaalsContact CG2-CG1 3.49Å; T443-M716 HydrophobicContact CG2-CE 4.13Å |
| 444 | Q | 91.3 | Very high | 90.4 | Very high | 70 Ų | 70 | 72.8 Ų | 72.8 | 33% | 0.327 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 173.3 | -77.7 | 178.7 | -11.7 | 0 | 0 | 111.7 | I440 Q441 S442 I447 R448 I713 | I440-Q444 HydrophobicContact CG2-CG 4.29Å; I440-Q444 WeakPolarHBondContact O-CB 3.32Å; I440-Q444 VanDerWaalsContact O-CG 3.23Å; I440-Q444 WeakPolarHBondContact O-CG 3.43Å; I440-Q444 PolarHBondContact O-N 3.33Å; Q441-Q444 PolarHBondContact O-N 3.45Å; S442-Q444 VanDerWaalsContact C-N 3.33Å; S442-Q444 PolarHBondContact O-N 2.92Å; Q444-I447 PolarHBondContact O-N 3.33Å; Q444-R448 WeakPolarHBondContact O-CG 3.26Å; Q444-R448 PolarHBondContact O-N 2.93Å; Q444-I713 HydrophobicContact CB-CD1 4.38Å; Q444-I713 HydrophobicContact CG-CD1 3.65Å |
| 445 | N | 91.6 | Very high | 90.4 | Very high | 84 Ų | 84 | 71.6 Ų | 71.6 | 45% | 0.449 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 175.6 | -69.6 | -20.9 | 0 | 0 | 0 | 111.1 | Q441 S442 I447 R448 E449 | Q441-N445 WeakPolarHBondContact O-CB 3.3Å; Q441-N445 VanDerWaalsContact O-CG 3.23Å; Q441-N445 PolarHBondContact O-N 3.5Å; Q441-N445 PolarHBondContact O-ND2 3.04Å; S442-N445 PolarHBondContact O-N 3.26Å; N445-I447 PolarHBondContact O-N 2.9Å; N445-R448 PolarHBondContact O-N 3.19Å; N445-R448 PolarHBondContact OD1-NH1 3.39Å; N445-E449 WeakPolarHBondContact O-CB 3.47Å; N445-E449 PolarHBondContact O-N 3.18Å |
| 446 | E | 90.5 | Very high | 90.3 | Very high | 84 Ų | 84 | 67.9 Ų | 67.9 | 39% | 0.393 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 172.8 | -73.8 | 177.5 | -167.7 | 0 | 0 | 111.7 | S442 T443 E449 Q450 L709 | S442-E446 WeakPolarHBondContact O-CG 3.36Å; S442-E446 PolarHBondContact O-N 3.31Å; T443-E446 PolarHBondContact O-N 3.02Å; E446-E449 PolarHBondContact O-N 3.47Å; E446-Q450 VanDerWaalsContact O-CG 3.31Å; E446-Q450 WeakPolarHBondContact O-CG 3.36Å; E446-Q450 PolarHBondContact O-N 2.96Å; E446-L709 HydrophobicContact CB-CD1 4.28Å |
| 447 | I | 91 | Very high | 90.2 | Very high | 15 Ų | 15 | 67.9 Ų | 67.9 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 175.7 | -71.4 | 177.8 | 0 | 0 | 0 | 111 | T443 Q444 N445 E449 Q450 Q451 L709 E710 I713 | T443-I447 WeakPolarHBondContact O-CG1 3.5Å; T443-I447 PolarHBondContact O-N 2.74Å; Q444-I447 PolarHBondContact O-N 3.33Å; N445-I447 PolarHBondContact O-N 2.9Å; I447-E449 VanDerWaalsContact C-N 3.29Å; I447-E449 PolarHBondContact O-N 3.19Å; I447-Q450 PolarHBondContact O-N 3.27Å; I447-Q451 HydrophobicContact CG2-CG 4.14Å; I447-Q451 WeakPolarHBondContact O-CB 3.47Å; I447-Q451 VanDerWaalsContact O-CG 3.24Å; I447-Q451 WeakPolarHBondContact O-CG 3.45Å; I447-Q451 PolarHBondContact O-N 2.7Å; I447-L709 HydrophobicContact CD1-CB 3.81Å; I447-L709 HydrophobicContact CG1-CB 3.5Å; I447-L709 HydrophobicContact CG1-CD1 4.03Å; I447-L709 HydrophobicContact CG1-CG 4.4Å; I447-E710 HydrophobicContact CD1-CG 3.93Å; I447-I713 HydrophobicContact CD1-CD1 3.26Å; I447-I713 HydrophobicContact CD1-CG1 4.03Å; I447-I713 HydrophobicContact CG1-CD1 4.3Å |
| 448 | R | 90.5 | Very high | 90.1 | Very high | 136 Ų | 136 | 69.3 Ų | 69.3 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 177 | -70.6 | -179 | -152.5 | 145.3 | 7.1 | 111.3 | Q444 N445 Q451 Q452 | Q444-R448 WeakPolarHBondContact O-CG 3.26Å; Q444-R448 PolarHBondContact O-N 2.93Å; N445-R448 PolarHBondContact O-N 3.19Å; N445-R448 PolarHBondContact OD1-NH1 3.39Å; R448-Q451 PolarHBondContact O-N 3.4Å; R448-Q452 WeakPolarHBondContact O-CG 3.44Å; R448-Q452 PolarHBondContact O-N 3.09Å |
| 449 | E | 90.8 | Very high | 90 | Very high | 84 Ų | 84 | 70.5 Ų | 70.5 | 39% | 0.393 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 177 | -170.2 | -176.1 | 178.2 | 0 | 0 | 111.4 | N445 E446 I447 Q451 Q452 R453 | N445-E449 WeakPolarHBondContact O-CB 3.47Å; N445-E449 PolarHBondContact O-N 3.18Å; E446-E449 PolarHBondContact O-N 3.47Å; I447-E449 VanDerWaalsContact C-N 3.29Å; I447-E449 PolarHBondContact O-N 3.19Å; E449-Q451 VanDerWaalsContact C-N 3.34Å; E449-Q451 PolarHBondContact O-N 3.38Å; E449-Q452 PolarHBondContact O-N 3.17Å; E449-R453 WeakPolarHBondContact O-CB 3.36Å; E449-R453 VanDerWaalsContact O-CG 3.3Å; E449-R453 WeakPolarHBondContact O-CG 3.47Å; E449-R453 PolarHBondContact O-N 3.44Å; E449-R453 IonicContact OE1-CZ 2.94Å; E449-R453 IonicContact OE1-NE 3.8Å; E449-R453 PolarHBondContact OE1-NE 3.28Å; E449-R453 IonicContact OE1-NH2 2.73Å; E449-R453 PolarHBondContact OE1-NH2 3.22Å |
| 450 | Q | 89.8 | Confident | 89.9 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 176.2 | -66 | -55.2 | -32 | 0 | 0 | 112.2 | E446 I447 R453 L454 I702 I706 L709 | E446-Q450 VanDerWaalsContact O-CG 3.31Å; E446-Q450 WeakPolarHBondContact O-CG 3.36Å; E446-Q450 PolarHBondContact O-N 2.96Å; I447-Q450 PolarHBondContact O-N 3.27Å; Q450-R453 PolarHBondContact O-N 3.43Å; Q450-L454 VanDerWaalsContact O-CB 3.32Å; Q450-L454 WeakPolarHBondContact O-CB 3.41Å; Q450-L454 PolarHBondContact O-N 2.89Å; Q450-I702 HydrophobicContact CB-CG2 4.41Å; Q450-I706 HydrophobicContact CB-CD1 4.1Å; Q450-I706 HydrophobicContact CB-CG1 3.62Å; Q450-L709 HydrophobicContact CG-CD1 4.25Å |
| 451 | Q | 90.8 | Very high | 89.8 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 41% | 0.411 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 174.6 | -76.6 | 173.8 | -19 | 0 | 0 | 111.9 | I447 R448 E449 L454 L455 I706 | I447-Q451 HydrophobicContact CG2-CG 4.14Å; I447-Q451 WeakPolarHBondContact O-CB 3.47Å; I447-Q451 VanDerWaalsContact O-CG 3.24Å; I447-Q451 WeakPolarHBondContact O-CG 3.45Å; I447-Q451 PolarHBondContact O-N 2.7Å; R448-Q451 PolarHBondContact O-N 3.4Å; E449-Q451 VanDerWaalsContact C-N 3.34Å; E449-Q451 PolarHBondContact O-N 3.38Å; Q451-L454 PolarHBondContact O-N 3.47Å; Q451-L455 WeakPolarHBondContact O-CB 3.46Å; Q451-L455 PolarHBondContact O-N 3.47Å; Q451-I706 HydrophobicContact CG-CD1 4.08Å |
| 452 | Q | 89.9 | Confident | 89.6 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.2 | -41.7 | 173.3 | -74.2 | 177.9 | -6.3 | 0 | 0 | 111.9 | R448 E449 L454 L455 T456 | R448-Q452 WeakPolarHBondContact O-CG 3.44Å; R448-Q452 PolarHBondContact O-N 3.09Å; E449-Q452 PolarHBondContact O-N 3.17Å; Q452-L454 VanDerWaalsContact C-N 3.33Å; Q452-L455 PolarHBondContact O-N 2.84Å; Q452-T456 WeakPolarHBondContact O-CG2 3.47Å; Q452-T456 PolarHBondContact O-N 3.22Å; Q452-T456 PolarHBondContact O-OG1 3.29Å |
| 453 | R | 88.2 | Confident | 89.5 | Confident | 119 Ų | 119 | 74.1 Ų | 74.1 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 173.7 | -71.8 | 175.3 | -176.5 | -160.2 | 3.2 | 112.3 | E449 Q450 T456 T457 | E449-R453 WeakPolarHBondContact O-CB 3.36Å; E449-R453 VanDerWaalsContact O-CG 3.3Å; E449-R453 WeakPolarHBondContact O-CG 3.47Å; E449-R453 PolarHBondContact O-N 3.44Å; E449-R453 IonicContact OE1-CZ 2.94Å; E449-R453 IonicContact OE1-NE 3.8Å; E449-R453 PolarHBondContact OE1-NE 3.28Å; E449-R453 IonicContact OE1-NH2 2.73Å; E449-R453 PolarHBondContact OE1-NH2 3.22Å; Q450-R453 PolarHBondContact O-N 3.43Å; R453-T456 WeakPolarHBondContact CA-OG1 3.39Å; R453-T456 PolarHBondContact O-OG1 2.8Å; R453-T457 VanDerWaalsContact O-CB 3.29Å; R453-T457 WeakPolarHBondContact O-CB 2.98Å; R453-T457 PolarHBondContact O-N 3.35Å; R453-T457 PolarHBondContact O-OG1 2.99Å |
| 454 | L | 91.1 | Very high | 89.4 | Confident | 26 Ų | 26 | 74.2 Ų | 74.2 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.7 | -51.9 | 175.4 | -177.8 | 65 | 0 | 0 | 0 | 110.2 | Q450 Q451 Q452 T456 T457 E458 V699 I702 Q703 I706 | Q450-L454 VanDerWaalsContact O-CB 3.32Å; Q450-L454 WeakPolarHBondContact O-CB 3.41Å; Q450-L454 PolarHBondContact O-N 2.89Å; Q451-L454 PolarHBondContact O-N 3.47Å; Q452-L454 VanDerWaalsContact C-N 3.33Å; L454-T456 VanDerWaalsContact C-N 3.35Å; L454-T456 PolarHBondContact O-N 3.47Å; L454-T457 PolarHBondContact O-N 3.26Å; L454-E458 HydrophobicContact CD1-CG 3.92Å; L454-E458 VanDerWaalsContact CD1-OE1 3.31Å; L454-E458 WeakPolarHBondContact CD1-OE1 3.18Å; L454-E458 HydrophobicContact CG-CG 4.19Å; L454-E458 VanDerWaalsContact O-CB 3.26Å; L454-E458 WeakPolarHBondContact O-CB 3.46Å; L454-E458 WeakPolarHBondContact O-CG 3.3Å; L454-E458 PolarHBondContact O-N 3.34Å; L454-V699 HydrophobicContact CD1-CG1 3.84Å; L454-I702 HydrophobicContact CB-CG2 3.85Å; L454-I702 HydrophobicContact CD1-CB 4.27Å; L454-I702 HydrophobicContact CD1-CG2 4.09Å; L454-Q703 HydrophobicContact CD1-CG 3.62Å; L454-Q703 HydrophobicContact CD2-CG 3.88Å; L454-Q703 HydrophobicContact CG-CG 4.43Å; L454-I706 HydrophobicContact CB-CD1 4.12Å; L454-I706 HydrophobicContact CD2-CD1 3.83Å |
| 455 | L | 89.3 | Confident | 89.2 | Confident | 97 Ų | 97 | 73.2 Ų | 73.2 | 51% | 0.508 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.5 | -47.2 | -179.8 | -178.1 | 68.9 | 0 | 0 | 0 | 111.8 | Q451 Q452 Q459 | Q451-L455 WeakPolarHBondContact O-CB 3.46Å; Q451-L455 PolarHBondContact O-N 3.47Å; Q452-L455 PolarHBondContact O-N 2.84Å; L455-Q459 WeakPolarHBondContact O-CB 3.44Å; L455-Q459 WeakPolarHBondContact O-CG 3.48Å; L455-Q459 PolarHBondContact O-N 3.06Å |
| 456 | T | 89.1 | Confident | 89 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 42% | 0.423 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 179 | 47 | 0 | 0 | 0 | 0 | 111.9 | Q452 R453 L454 Q459 E460 | Q452-T456 WeakPolarHBondContact O-CG2 3.47Å; Q452-T456 PolarHBondContact O-N 3.22Å; Q452-T456 PolarHBondContact O-OG1 3.29Å; R453-T456 WeakPolarHBondContact CA-OG1 3.39Å; R453-T456 PolarHBondContact O-OG1 2.8Å; L454-T456 VanDerWaalsContact C-N 3.35Å; L454-T456 PolarHBondContact O-N 3.47Å; T456-Q459 PolarHBondContact O-N 2.86Å; T456-E460 WeakPolarHBondContact O-CG 3.41Å; T456-E460 PolarHBondContact O-N 3.03Å |
| 457 | T | 87 | Confident | 88.9 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 14% | 0.135 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 179.5 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | R453 L454 E460 V461 K695 V699 | R453-T457 VanDerWaalsContact O-CB 3.29Å; R453-T457 WeakPolarHBondContact O-CB 2.98Å; R453-T457 PolarHBondContact O-N 3.35Å; R453-T457 PolarHBondContact O-OG1 2.99Å; L454-T457 PolarHBondContact O-N 3.26Å; T457-E460 PolarHBondContact O-N 3.42Å; T457-V461 HydrophobicContact CG2-CG2 4.45Å; T457-V461 WeakPolarHBondContact O-CB 3.28Å; T457-V461 VanDerWaalsContact O-CG2 3.28Å; T457-V461 WeakPolarHBondContact O-CG2 3.36Å; T457-V461 PolarHBondContact O-N 3.07Å; T457-K695 HydrophobicContact CG2-CB 4.32Å; T457-V699 HydrophobicContact CG2-CG2 3.75Å |
| 458 | E | 88.7 | Confident | 88.8 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 33% | 0.327 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 174.9 | -77.8 | -179.6 | 170 | 0 | 0 | 111.4 | L454 V461 S462 V699 Q703 | L454-E458 HydrophobicContact CD1-CG 3.92Å; L454-E458 VanDerWaalsContact CD1-OE1 3.31Å; L454-E458 WeakPolarHBondContact CD1-OE1 3.18Å; L454-E458 HydrophobicContact CG-CG 4.19Å; L454-E458 VanDerWaalsContact O-CB 3.26Å; L454-E458 WeakPolarHBondContact O-CB 3.46Å; L454-E458 WeakPolarHBondContact O-CG 3.3Å; L454-E458 PolarHBondContact O-N 3.34Å; E458-V461 PolarHBondContact O-N 2.8Å; E458-S462 WeakPolarHBondContact O-CB 3.5Å; E458-S462 PolarHBondContact O-N 3.04Å; E458-V699 HydrophobicContact CG-CG1 3.6Å; E458-V699 HydrophobicContact CG-CG2 4.11Å; E458-Q703 PolarHBondContact OE1-NE2 2.96Å |
| 459 | Q | 88.6 | Confident | 88.6 | Confident | 115 Ų | 115 | 70.4 Ų | 70.4 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 173.6 | -76.4 | 174.6 | -6.1 | 0 | 0 | 111.9 | L455 T456 S462 H463 | L455-Q459 WeakPolarHBondContact O-CB 3.44Å; L455-Q459 WeakPolarHBondContact O-CG 3.48Å; L455-Q459 PolarHBondContact O-N 3.06Å; T456-Q459 PolarHBondContact O-N 2.86Å; Q459-S462 PolarHBondContact O-N 3.33Å; Q459-H463 VanDerWaalsContact O-CB 3.27Å; Q459-H463 WeakPolarHBondContact O-CB 3.1Å; Q459-H463 PolarHBondContact O-N 3.49Å |
| 460 | E | 87.2 | Confident | 88.4 | Confident | 86 Ų | 86 | 71.2 Ų | 71.2 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 175.5 | -76.5 | -179.4 | -168.3 | 0 | 0 | 112 | T456 T457 A464 T692 K695 | T456-E460 WeakPolarHBondContact O-CG 3.41Å; T456-E460 PolarHBondContact O-N 3.03Å; T457-E460 PolarHBondContact O-N 3.42Å; E460-A464 WeakPolarHBondContact O-CB 3.29Å; E460-A464 PolarHBondContact O-N 2.88Å; E460-T692 HydrophobicContact CB-CG2 4.5Å; E460-K695 IonicContact OE2-NZ 2.72Å; E460-K695 PolarHBondContact OE2-NZ 3.29Å |
| 461 | V | 89.3 | Confident | 88.3 | Confident | 11 Ų | 11 | 69.4 Ų | 69.4 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.2 | -41.3 | -179.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | T457 E458 A464 N465 K695 E696 V699 | T457-V461 HydrophobicContact CG2-CG2 4.45Å; T457-V461 WeakPolarHBondContact O-CB 3.28Å; T457-V461 VanDerWaalsContact O-CG2 3.28Å; T457-V461 WeakPolarHBondContact O-CG2 3.36Å; T457-V461 PolarHBondContact O-N 3.07Å; E458-V461 PolarHBondContact O-N 2.8Å; V461-A464 PolarHBondContact O-N 3.48Å; V461-N465 WeakPolarHBondContact O-CB 3.28Å; V461-N465 VanDerWaalsContact O-CG 3.26Å; V461-N465 PolarHBondContact O-N 3.24Å; V461-N465 PolarHBondContact O-ND2 3.3Å; V461-K695 HydrophobicContact CG2-CB 3.97Å; V461-E696 HydrophobicContact CG1-CB 4.36Å; V461-V699 HydrophobicContact CG2-CG2 4.29Å |
| 462 | S | 86.6 | Confident | 88.1 | Confident | 71 Ų | 71 | 68.4 Ų | 68.4 | 50% | 0.497 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 177 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | E458 Q459 A464 N465 S466 | E458-S462 WeakPolarHBondContact O-CB 3.5Å; E458-S462 PolarHBondContact O-N 3.04Å; Q459-S462 PolarHBondContact O-N 3.33Å; S462-A464 VanDerWaalsContact C-N 3.35Å; S462-A464 PolarHBondContact O-N 3.45Å; S462-N465 PolarHBondContact O-N 2.8Å; S462-S466 PolarHBondContact O-N 3.47Å; S462-S466 PolarHBondContact O-OG 2.85Å |
| 463 | H | 88.2 | Confident | 87.9 | Confident | 135 Ų | 135 | 67.9 Ų | 67.9 | 63% | 0.625 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 176.3 | -173.9 | 67.2 | 0 | 0 | 0 | 111.5 | Q459 N465 S466 R467 | Q459-H463 VanDerWaalsContact O-CB 3.27Å; Q459-H463 WeakPolarHBondContact O-CB 3.1Å; Q459-H463 PolarHBondContact O-N 3.49Å; H463-N465 VanDerWaalsContact C-N 3.34Å; H463-N465 PolarHBondContact O-N 3.3Å; H463-S466 PolarHBondContact O-N 3.11Å; H463-R467 WeakPolarHBondContact O-CB 3.24Å; H463-R467 PolarHBondContact O-N 3.07Å |
| 464 | A | 87.7 | Confident | 87.8 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E460 V461 S462 L468 L689 T692 | E460-A464 WeakPolarHBondContact O-CB 3.29Å; E460-A464 PolarHBondContact O-N 2.88Å; V461-A464 PolarHBondContact O-N 3.48Å; S462-A464 VanDerWaalsContact C-N 3.35Å; S462-A464 PolarHBondContact O-N 3.45Å; A464-L468 WeakPolarHBondContact O-CB 3.35Å; A464-L468 PolarHBondContact O-N 3.44Å; A464-L689 HydrophobicContact CB-CD2 4.16Å; A464-T692 HydrophobicContact CB-CG2 3.81Å |
| 465 | N | 86.7 | Confident | 87.5 | Confident | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.262 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 176 | -77.2 | -19.8 | 0 | 0 | 0 | 112 | V461 S462 H463 R467 L468 E469 R693 | V461-N465 WeakPolarHBondContact O-CB 3.28Å; V461-N465 VanDerWaalsContact O-CG 3.26Å; V461-N465 PolarHBondContact O-N 3.24Å; V461-N465 PolarHBondContact O-ND2 3.3Å; S462-N465 PolarHBondContact O-N 2.8Å; H463-N465 VanDerWaalsContact C-N 3.34Å; H463-N465 PolarHBondContact O-N 3.3Å; N465-R467 VanDerWaalsContact C-N 3.33Å; N465-R467 PolarHBondContact O-N 3.16Å; N465-L468 WeakPolarHBondContact O-CB 3.32Å; N465-L468 PolarHBondContact O-N 2.96Å; N465-E469 PolarHBondContact O-N 2.97Å; N465-R693 VanDerWaalsContact OD1-CD 3.3Å; N465-R693 WeakPolarHBondContact OD1-CD 3.39Å; N465-R693 VanDerWaalsContact OD1-CG 3.3Å; N465-R693 WeakPolarHBondContact OD1-CG 3.41Å |
| 466 | S | 87.8 | Confident | 87.2 | Confident | 60 Ų | 60 | 65 Ų | 65 | 42% | 0.42 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | S462 H463 Q470 | S462-S466 PolarHBondContact O-N 3.47Å; S462-S466 PolarHBondContact O-OG 2.85Å; H463-S466 PolarHBondContact O-N 3.11Å; S466-Q470 WeakPolarHBondContact O-CG 3.44Å; S466-Q470 PolarHBondContact O-N 2.89Å |
| 467 | R | 89.6 | Confident | 86.9 | Confident | 56 Ų | 56 | 64.4 Ų | 64.4 | 21% | 0.211 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.3 | -37.4 | 175.6 | -172.6 | 64.2 | -177 | 142.8 | 10.3 | 111.7 | H463 N465 E469 Q470 V471 E474 E685 L689 | H463-R467 WeakPolarHBondContact O-CB 3.24Å; H463-R467 PolarHBondContact O-N 3.07Å; N465-R467 VanDerWaalsContact C-N 3.33Å; N465-R467 PolarHBondContact O-N 3.16Å; R467-E469 VanDerWaalsContact C-N 3.32Å; R467-E469 PolarHBondContact O-N 2.86Å; R467-Q470 WeakPolarHBondContact O-CB 3.43Å; R467-Q470 PolarHBondContact O-N 3.42Å; R467-V471 HydrophobicContact CG-CG2 4.28Å; R467-V471 VanDerWaalsContact O-CG2 3.32Å; R467-V471 WeakPolarHBondContact O-CG2 3.5Å; R467-V471 PolarHBondContact O-N 2.93Å; R467-E474 IonicContact CZ-OE1 3.86Å; R467-E474 IonicContact NH1-OE1 3.49Å; R467-E474 PolarHBondContact NH1-OE1 3.42Å; R467-E474 IonicContact NH2-OE1 2.68Å; R467-E685 IonicContact CZ-OE1 3.28Å; R467-E685 VanDerWaalsContact CZ-OE1 3.26Å; R467-E685 IonicContact NE-OE1 2.66Å; R467-E685 PolarHBondContact NE-OE1 3.42Å; R467-E685 IonicContact NH2-OE1 3.94Å; R467-E685 PolarHBondContact NH2-OE1 3.2Å; R467-E685 IonicContact NH2-OE2 2.76Å; R467-E685 PolarHBondContact NH2-OE2 3.44Å; R467-E685 VanDerWaalsContact NH2-OE2 3.08Å; R467-L689 HydrophobicContact CB-CD1 4Å; R467-L689 HydrophobicContact CB-CD2 4.11Å; R467-L689 HydrophobicContact CG-CD1 3.56Å; R467-L689 HydrophobicContact CG-CD2 4.13Å; R467-L689 HydrophobicContact CG-CG 4.5Å |
| 468 | L | 88 | Confident | 86.6 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -43.4 | 175.5 | -166.8 | 87.8 | 0 | 0 | 0 | 110.8 | A464 N465 V471 I472 Y686 L689 | A464-L468 WeakPolarHBondContact O-CB 3.35Å; A464-L468 PolarHBondContact O-N 3.44Å; N465-L468 WeakPolarHBondContact O-CB 3.32Å; N465-L468 PolarHBondContact O-N 2.96Å; L468-V471 PolarHBondContact O-N 3.19Å; L468-I472 HydrophobicContact CD2-CD1 4.38Å; L468-I472 HydrophobicContact CG-CD1 4.19Å; L468-I472 WeakPolarHBondContact O-CD1 3.48Å; L468-I472 WeakPolarHBondContact O-CG1 3.34Å; L468-I472 PolarHBondContact O-N 3.3Å; L468-Y686 HydrophobicContact CD1-CD2 3.74Å; L468-Y686 HydrophobicContact CD1-CE2 3.8Å; L468-Y686 HydrophobicContact CD1-CG 4.43Å; L468-Y686 HydrophobicContact CG-CD2 4.42Å; L468-Y686 HydrophobicContact CG-CE2 4.24Å; L468-L689 HydrophobicContact CD1-CB 3.79Å |
| 469 | E | 86 | Confident | 86.1 | Confident | 132 Ų | 132 | 62 Ų | 62 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 174.3 | -74.2 | 176.6 | -179.4 | 0 | 0 | 112 | N465 R467 I472 L473 | N465-E469 PolarHBondContact O-N 2.97Å; R467-E469 VanDerWaalsContact C-N 3.32Å; R467-E469 PolarHBondContact O-N 2.86Å; E469-I472 PolarHBondContact O-N 2.67Å; E469-L473 WeakPolarHBondContact O-CG 3.23Å; E469-L473 PolarHBondContact O-N 2.93Å; E469-L473 VanDerWaalsContact O-N 3.11Å |
| 470 | Q | 87.1 | Confident | 85.6 | Confident | 102 Ų | 102 | 62.9 Ų | 62.9 | 48% | 0.477 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.2 | -70.6 | 176.7 | -2.4 | 0 | 0 | 112.3 | S466 R467 I472 L473 E474 | S466-Q470 WeakPolarHBondContact O-CG 3.44Å; S466-Q470 PolarHBondContact O-N 2.89Å; R467-Q470 WeakPolarHBondContact O-CB 3.43Å; R467-Q470 PolarHBondContact O-N 3.42Å; Q470-I472 VanDerWaalsContact C-N 3.31Å; Q470-I472 PolarHBondContact O-N 3.41Å; Q470-L473 WeakPolarHBondContact O-CB 3.49Å; Q470-L473 PolarHBondContact O-N 2.88Å; Q470-E474 WeakPolarHBondContact O-CG 3.47Å; Q470-E474 PolarHBondContact O-N 3.06Å |
| 471 | V | 87.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.9 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | R467 L468 E474 V475 L682 E685 Y686 L689 | R467-V471 HydrophobicContact CG-CG2 4.28Å; R467-V471 VanDerWaalsContact O-CG2 3.32Å; R467-V471 WeakPolarHBondContact O-CG2 3.5Å; R467-V471 PolarHBondContact O-N 2.93Å; L468-V471 PolarHBondContact O-N 3.19Å; V471-E474 PolarHBondContact O-N 3.36Å; V471-V475 HydrophobicContact CG1-CG2 4.21Å; V471-V475 WeakPolarHBondContact O-CB 3.44Å; V471-V475 WeakPolarHBondContact O-CG2 3.33Å; V471-V475 PolarHBondContact O-N 3.42Å; V471-L682 HydrophobicContact CG1-CB 4.37Å; V471-L682 HydrophobicContact CG1-CD2 4.28Å; V471-L682 HydrophobicContact CG2-CD2 4.33Å; V471-E685 HydrophobicContact CG2-CG 4.25Å; V471-Y686 HydrophobicContact CG1-CD2 4.5Å; V471-L689 HydrophobicContact CG2-CD1 3.96Å |
| 472 | I | 85.7 | Confident | 84 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 35% | 0.349 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 174.2 | -70.5 | 163 | 0 | 0 | 0 | 110.4 | L468 E469 Q470 E474 V475 D476 Y686 | L468-I472 HydrophobicContact CD2-CD1 4.38Å; L468-I472 HydrophobicContact CG-CD1 4.19Å; L468-I472 WeakPolarHBondContact O-CD1 3.48Å; L468-I472 WeakPolarHBondContact O-CG1 3.34Å; L468-I472 PolarHBondContact O-N 3.3Å; E469-I472 PolarHBondContact O-N 2.67Å; Q470-I472 VanDerWaalsContact C-N 3.31Å; Q470-I472 PolarHBondContact O-N 3.41Å; I472-E474 PolarHBondContact O-N 2.95Å; I472-V475 PolarHBondContact O-N 3.25Å; I472-D476 WeakPolarHBondContact O-CB 3.41Å; I472-D476 PolarHBondContact O-N 3.24Å; I472-Y686 HydrophobicContact CD1-CE2 4.3Å; I472-Y686 HydrophobicContact CG1-CD2 4.39Å; I472-Y686 HydrophobicContact CG1-CE2 4.03Å |
| 473 | L | 86.9 | Confident | 83 | Confident | 122 Ų | 122 | 63.6 Ų | 63.6 | 64% | 0.639 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 177 | -68.6 | 171.5 | 0 | 0 | 0 | 112.6 | E469 Q470 D476 D477 | E469-L473 WeakPolarHBondContact O-CG 3.23Å; E469-L473 PolarHBondContact O-N 2.93Å; E469-L473 VanDerWaalsContact O-N 3.11Å; Q470-L473 WeakPolarHBondContact O-CB 3.49Å; Q470-L473 PolarHBondContact O-N 2.88Å; L473-D476 PolarHBondContact O-N 2.96Å; L473-D477 PolarHBondContact O-N 3.34Å |
| 474 | E | 86.5 | Confident | 81.9 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 176.4 | -72.1 | -175.8 | -138.5 | 0 | 0 | 111.9 | R467 Q470 V471 I472 D477 I478 L682 | R467-E474 IonicContact CZ-OE1 3.86Å; R467-E474 IonicContact NH1-OE1 3.49Å; R467-E474 PolarHBondContact NH1-OE1 3.42Å; R467-E474 IonicContact NH2-OE1 2.68Å; Q470-E474 WeakPolarHBondContact O-CG 3.47Å; Q470-E474 PolarHBondContact O-N 3.06Å; V471-E474 PolarHBondContact O-N 3.36Å; I472-E474 PolarHBondContact O-N 2.95Å; E474-D477 PolarHBondContact O-N 3.21Å; E474-I478 WeakPolarHBondContact O-CB 3.35Å; E474-I478 WeakPolarHBondContact O-CG1 3.31Å; E474-I478 PolarHBondContact O-N 2.7Å; E474-L682 HydrophobicContact CB-CD1 3.89Å; E474-L682 HydrophobicContact CB-CD2 4.45Å; E474-L682 WeakPolarHBondContact OE2-CD2 3.31Å |
| 475 | V | 84.8 | Confident | 80.7 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 176 | 168 | 0 | 0 | 0 | 0 | 110.6 | V471 I472 I478 N479 L682 | V471-V475 HydrophobicContact CG1-CG2 4.21Å; V471-V475 WeakPolarHBondContact O-CB 3.44Å; V471-V475 WeakPolarHBondContact O-CG2 3.33Å; V471-V475 PolarHBondContact O-N 3.42Å; I472-V475 PolarHBondContact O-N 3.25Å; V475-I478 PolarHBondContact O-N 2.8Å; V475-N479 WeakPolarHBondContact CG1-ND2 3.34Å; V475-N479 VanDerWaalsContact O-CB 3.24Å; V475-N479 WeakPolarHBondContact O-CB 3.5Å; V475-N479 PolarHBondContact O-N 2.89Å; V475-N479 PolarHBondContact O-ND2 2.99Å; V475-N479 VanDerWaalsContact O-ND2 3.12Å; V475-L682 HydrophobicContact CG2-CB 3.74Å; V475-L682 HydrophobicContact CG2-CD1 4.19Å |
| 476 | D | 82 | Confident | 79.2 | Confident | 92 Ų | 92 | 64.2 Ų | 64.2 | 49% | 0.492 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 175.7 | -77.5 | -13.8 | 0 | 0 | 0 | 112.3 | I472 L473 N479 R480 | I472-D476 WeakPolarHBondContact O-CB 3.41Å; I472-D476 PolarHBondContact O-N 3.24Å; L473-D476 PolarHBondContact O-N 2.96Å; D476-N479 PolarHBondContact O-N 2.9Å; D476-R480 WeakPolarHBondContact O-CB 3.49Å; D476-R480 PolarHBondContact O-N 3.36Å |
| 477 | D | 82.7 | Confident | 77.5 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 175.1 | -169.4 | 71.3 | 0 | 0 | 0 | 111.9 | L473 E474 R480 Q481 | L473-D477 PolarHBondContact O-N 3.34Å; E474-D477 PolarHBondContact O-N 3.21Å; D477-R480 WeakPolarHBondContact O-CB 3.44Å; D477-R480 PolarHBondContact O-N 3.48Å; D477-R480 IonicContact OD1-CZ 3.98Å; D477-R480 IonicContact OD1-NH1 3.65Å; D477-R480 PolarHBondContact OD1-NH1 2.83Å; D477-R480 IonicContact OD1-NH2 3.78Å; D477-R480 PolarHBondContact OD1-NH2 2.87Å; D477-Q481 WeakPolarHBondContact O-CG 3.36Å; D477-Q481 PolarHBondContact O-N 3.24Å; D477-Q481 PolarHBondContact OD2-NE2 3.26Å |
| 478 | I | 81.3 | Confident | 75.9 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.7 | -39 | 174.5 | -69.1 | 164.3 | 0 | 0 | 0 | 111 | E474 V475 R480 Q481 L482 K678 K679 L682 | E474-I478 WeakPolarHBondContact O-CB 3.35Å; E474-I478 WeakPolarHBondContact O-CG1 3.31Å; E474-I478 PolarHBondContact O-N 2.7Å; V475-I478 PolarHBondContact O-N 2.8Å; I478-R480 VanDerWaalsContact C-N 3.28Å; I478-R480 PolarHBondContact O-N 2.84Å; I478-Q481 PolarHBondContact O-N 3.46Å; I478-L482 HydrophobicContact CG2-CD1 3.83Å; I478-L482 HydrophobicContact CG2-CG 4.16Å; I478-L482 VanDerWaalsContact O-CB 3.23Å; I478-L482 WeakPolarHBondContact O-CB 3.07Å; I478-L482 VanDerWaalsContact O-CG 3.31Å; I478-L482 WeakPolarHBondContact O-CG 3.41Å; I478-L482 PolarHBondContact O-N 2.96Å; I478-K678 HydrophobicContact CD1-CB 4.25Å; I478-K678 HydrophobicContact CD1-CD 3.74Å; I478-K678 HydrophobicContact CD1-CG 3.76Å; I478-K679 HydrophobicContact CG2-CB 4.01Å; I478-L682 HydrophobicContact CD1-CD1 3.32Å |
| 479 | N | 77.4 | Confident | 74.3 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 20% | 0.203 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 172.6 | -77.5 | -33.9 | 0 | 0 | 0 | 110.6 | V475 D476 N483 K679 | V475-N479 WeakPolarHBondContact CG1-ND2 3.34Å; V475-N479 VanDerWaalsContact O-CB 3.24Å; V475-N479 WeakPolarHBondContact O-CB 3.5Å; V475-N479 PolarHBondContact O-N 2.89Å; V475-N479 PolarHBondContact O-ND2 2.99Å; V475-N479 VanDerWaalsContact O-ND2 3.12Å; D476-N479 PolarHBondContact O-N 2.9Å; N479-N483 WeakPolarHBondContact O-CB 3.44Å; N479-N483 PolarHBondContact O-N 2.92Å; N479-N483 PolarHBondContact O-ND2 2.91Å; N479-N483 PolarHBondContact O-OD1 3.31Å; N479-K679 WeakPolarHBondContact OD1-CE 3.49Å; N479-K679 PolarHBondContact OD1-NZ 3.04Å |
| 480 | R | 77.8 | Confident | 73 | Confident | 133 Ų | 133 | 70.8 Ų | 70.8 | 50% | 0.502 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.3 | -49.8 | 173 | -163 | -176.3 | 76.7 | -118.2 | -10.9 | 111.3 | D476 D477 I478 L482 N483 E484 | D476-R480 WeakPolarHBondContact O-CB 3.49Å; D476-R480 PolarHBondContact O-N 3.36Å; D477-R480 WeakPolarHBondContact O-CB 3.44Å; D477-R480 PolarHBondContact O-N 3.48Å; D477-R480 IonicContact OD1-CZ 3.98Å; D477-R480 IonicContact OD1-NH1 3.65Å; D477-R480 PolarHBondContact OD1-NH1 2.83Å; D477-R480 IonicContact OD1-NH2 3.78Å; D477-R480 PolarHBondContact OD1-NH2 2.87Å; I478-R480 VanDerWaalsContact C-N 3.28Å; I478-R480 PolarHBondContact O-N 2.84Å; R480-L482 PolarHBondContact O-N 2.9Å; R480-N483 PolarHBondContact O-N 3.15Å; R480-E484 IonicContact NE-OE1 3.79Å; R480-E484 PolarHBondContact NE-OE1 3.02Å; R480-E484 WeakPolarHBondContact O-CB 3.41Å; R480-E484 VanDerWaalsContact O-CG 3.3Å; R480-E484 WeakPolarHBondContact O-CG 3.34Å; R480-E484 PolarHBondContact O-N 3.4Å |
| 481 | Q | 73.8 | Confident | 71.5 | Confident | 68 Ų | 68 | 70 Ų | 70 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 177.5 | -67.3 | 178.9 | 27.9 | 0 | 0 | 112.5 | D477 I478 A485 L675 | D477-Q481 WeakPolarHBondContact O-CG 3.36Å; D477-Q481 PolarHBondContact O-N 3.24Å; D477-Q481 PolarHBondContact OD2-NE2 3.26Å; I478-Q481 PolarHBondContact O-N 3.46Å; Q481-A485 VanDerWaalsContact O-CB 3.26Å; Q481-A485 WeakPolarHBondContact O-CB 3.24Å; Q481-A485 PolarHBondContact O-N 3.46Å; Q481-L675 HydrophobicContact CB-CD1 4.21Å; Q481-L675 VanDerWaalsContact OE1-CD2 3.25Å |
| 482 | L | 70.8 | Confident | 70.1 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 4% | 0.037 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 173.5 | -77.7 | 174.7 | 0 | 0 | 0 | 110.6 | I478 R480 A485 N486 V672 L675 R676 K679 | I478-L482 HydrophobicContact CG2-CD1 3.83Å; I478-L482 HydrophobicContact CG2-CG 4.16Å; I478-L482 VanDerWaalsContact O-CB 3.23Å; I478-L482 WeakPolarHBondContact O-CB 3.07Å; I478-L482 VanDerWaalsContact O-CG 3.31Å; I478-L482 WeakPolarHBondContact O-CG 3.41Å; I478-L482 PolarHBondContact O-N 2.96Å; R480-L482 PolarHBondContact O-N 2.9Å; L482-A485 CarbonylContact O-C 3.57Å; L482-A485 PolarHBondContact O-N 3.41Å; L482-N486 WeakPolarHBondContact O-CA 3.31Å; L482-N486 WeakPolarHBondContact O-CB 3.44Å; L482-N486 PolarHBondContact O-N 2.95Å; L482-N486 PolarHBondContact O-ND2 3.27Å; L482-V672 HydrophobicContact CD2-CG1 4.43Å; L482-L675 HydrophobicContact CD2-CB 3.76Å; L482-L675 HydrophobicContact CD2-CD1 4.46Å; L482-L675 HydrophobicContact CG-CB 4.2Å; L482-R676 HydrophobicContact CD2-CG 4.1Å; L482-K679 HydrophobicContact CD1-CB 4.48Å; L482-K679 HydrophobicContact CD1-CD 3.79Å |
| 483 | N | 65.4 | Low | 69 | Low | 107 Ų | 107 | 72.1 Ų | 72.1 | 57% | 0.572 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65 | -41.4 | 176.9 | -72.9 | -13.3 | 0 | 0 | 0 | 111.2 | N479 R480 A485 N486 V487 | N479-N483 WeakPolarHBondContact O-CB 3.44Å; N479-N483 PolarHBondContact O-N 2.92Å; N479-N483 PolarHBondContact O-ND2 2.91Å; N479-N483 PolarHBondContact O-OD1 3.31Å; R480-N483 PolarHBondContact O-N 3.15Å; N483-A485 VanDerWaalsContact C-N 3.3Å; N483-A485 PolarHBondContact O-N 2.91Å; N483-N486 PolarHBondContact O-N 3.03Å; N483-V487 WeakPolarHBondContact O-CG2 3.49Å; N483-V487 PolarHBondContact O-N 3.43Å |
| 484 | E | 64.9 | Low | 68 | Low | 112 Ų | 112 | 72.3 Ų | 72.3 | 52% | 0.523 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.6 | -34.7 | 172.5 | -73.6 | 172.6 | -162.8 | 0 | 0 | 112.2 | R480 V487 | R480-E484 IonicContact NE-OE1 3.79Å; R480-E484 PolarHBondContact NE-OE1 3.02Å; R480-E484 WeakPolarHBondContact O-CB 3.41Å; R480-E484 VanDerWaalsContact O-CG 3.3Å; R480-E484 WeakPolarHBondContact O-CG 3.34Å; R480-E484 PolarHBondContact O-N 3.4Å; E484-V487 WeakPolarHBondContact O-CG2 3.36Å |
| 485 | A | 61.3 | Low | 66.9 | Low | 54 Ų | 54 | 70.8 Ų | 70.8 | 45% | 0.446 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -82.6 | -23.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q481 L482 N483 V672 | Q481-A485 VanDerWaalsContact O-CB 3.26Å; Q481-A485 WeakPolarHBondContact O-CB 3.24Å; Q481-A485 PolarHBondContact O-N 3.46Å; L482-A485 CarbonylContact O-C 3.57Å; L482-A485 PolarHBondContact O-N 3.41Å; N483-A485 VanDerWaalsContact C-N 3.3Å; N483-A485 PolarHBondContact O-N 2.91Å; A485-V672 HydrophobicContact CB-CG2 4.27Å |
| 486 | N | 55.4 | Low | 66.1 | Low | 36 Ų | 36 | 73.1 Ų | 73.1 | 19% | 0.193 | 39% | 0.388 | C | S | . | . | trans | -99.4 | 13.7 | -173.8 | -72.8 | -34.8 | 0 | 0 | 0 | 113 | L482 N483 D488 T489 N492 | L482-N486 WeakPolarHBondContact O-CA 3.31Å; L482-N486 WeakPolarHBondContact O-CB 3.44Å; L482-N486 PolarHBondContact O-N 2.95Å; L482-N486 PolarHBondContact O-ND2 3.27Å; N483-N486 PolarHBondContact O-N 3.03Å; N486-D488 PolarHBondContact O-N 2.74Å; N486-T489 PolarHBondContact O-N 3.2Å; N486-N492 PolarHBondContact OD1-ND2 2.82Å | ||
| 487 | V | 53.5 | Low | 65.6 | Low | 102 Ų | 102 | 75.7 Ų | 75.7 | 62% | 0.618 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -56.1 | -10.2 | -175.9 | 178 | 0 | 0 | 0 | 0 | 114.3 | N483 E484 | N483-V487 WeakPolarHBondContact O-CG2 3.49Å; N483-V487 PolarHBondContact O-N 3.43Å; E484-V487 WeakPolarHBondContact O-CG2 3.36Å |
| 488 | D | 54.6 | Low | 65 | Low | 98 Ų | 98 | 75.2 Ų | 75.2 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | trans | -120 | 71.1 | 169.5 | -64.7 | -46.7 | 0 | 0 | 0 | 113 | N486 S490 E491 N492 | N486-D488 PolarHBondContact O-N 2.74Å; D488-S490 PolarHBondContact O-N 3.08Å; D488-S490 VanDerWaalsContact O-N 3.1Å; D488-E491 HydrophobicContact CB-CB 4.1Å; D488-E491 HydrophobicContact CB-CG 4.42Å; D488-E491 PolarHBondContact O-N 2.93Å; D488-E491 VanDerWaalsContact O-N 3.14Å; D488-N492 PolarHBondContact O-N 3.36Å | ||
| 489 | T | 55.1 | Low | 64.7 | Low | 108 Ų | 108 | 78.8 Ų | 78.8 | 66% | 0.663 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -56.1 | -26.4 | 178.2 | -13.8 | 0 | 0 | 0 | 0 | 113.5 | N486 S493 | N486-T489 PolarHBondContact O-N 3.2Å; T489-S493 PolarHBondContact O-N 2.91Å; T489-S493 PolarHBondContact O-OG 3.43Å |
| 490 | S | 58.5 | Low | 64.8 | Low | 88 Ų | 88 | 82.2 Ų | 82.2 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -76.9 | -42.2 | 177.6 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | D488 R494 | D488-S490 PolarHBondContact O-N 3.08Å; D488-S490 VanDerWaalsContact O-N 3.1Å; S490-R494 PolarHBondContact O-N 3.21Å |
| 491 | E | 55.3 | Low | 65 | Low | 87 Ų | 87 | 76.1 Ų | 76.1 | 41% | 0.407 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.6 | -36.9 | 173.5 | -74.5 | -140.1 | 151.3 | 0 | 0 | 111 | D488 S493 R494 L495 R666 | D488-E491 HydrophobicContact CB-CB 4.1Å; D488-E491 HydrophobicContact CB-CG 4.42Å; D488-E491 PolarHBondContact O-N 2.93Å; D488-E491 VanDerWaalsContact O-N 3.14Å; E491-S493 PolarHBondContact O-N 3.15Å; E491-R494 CarbonylContact O-C 3.56Å; E491-R494 WeakPolarHBondContact O-CB 3.43Å; E491-R494 PolarHBondContact O-N 3.47Å; E491-R494 VanDerWaalsContact O-N 3.14Å; E491-L495 WeakPolarHBondContact O-CB 3.46Å; E491-L495 WeakPolarHBondContact O-CD1 3.27Å; E491-L495 WeakPolarHBondContact O-CG 3.35Å; E491-L495 PolarHBondContact O-N 2.92Å; E491-R666 IonicContact OE1-NH2 2.82Å; E491-R666 IonicContact OE2-CZ 3.91Å; E491-R666 IonicContact OE2-NH2 3.55Å; E491-R666 PolarHBondContact OE2-NH2 2.9Å |
| 492 | N | 58.6 | Low | 65.5 | Low | 44 Ų | 44 | 73.3 Ų | 73.3 | 24% | 0.235 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68 | -37 | -178.3 | -143.2 | 2.2 | 0 | 0 | 0 | 112.4 | N486 D488 R494 L495 M496 R676 | N486-N492 PolarHBondContact OD1-ND2 2.82Å; D488-N492 PolarHBondContact O-N 3.36Å; N492-R494 VanDerWaalsContact C-N 3.33Å; N492-R494 PolarHBondContact O-N 3.43Å; N492-L495 PolarHBondContact O-N 3.47Å; N492-M496 WeakPolarHBondContact O-CG 3.37Å; N492-M496 PolarHBondContact O-N 3.17Å; N492-R676 PolarHBondContact ND2-NH2 3.35Å |
| 493 | S | 62 | Low | 66.1 | Low | 67 Ų | 67 | 77.4 Ų | 77.4 | 47% | 0.469 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 170.5 | -74.7 | 0 | 0 | 0 | 0 | 112.5 | T489 E491 K497 | T489-S493 PolarHBondContact O-N 2.91Å; T489-S493 PolarHBondContact O-OG 3.43Å; E491-S493 PolarHBondContact O-N 3.15Å; S493-K497 WeakPolarHBondContact O-CB 3.5Å; S493-K497 WeakPolarHBondContact O-CG 3.41Å; S493-K497 PolarHBondContact O-N 2.81Å; S493-K497 VanDerWaalsContact O-N 3.12Å |
| 494 | R | 66.1 | Low | 67 | Low | 127 Ų | 127 | 75.2 Ų | 75.2 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 172.9 | -79.3 | 178.4 | 159.7 | 153.9 | -1.6 | 111.7 | S490 E491 N492 K498 E564 | S490-R494 PolarHBondContact O-N 3.21Å; E491-R494 CarbonylContact O-C 3.56Å; E491-R494 WeakPolarHBondContact O-CB 3.43Å; E491-R494 PolarHBondContact O-N 3.47Å; E491-R494 VanDerWaalsContact O-N 3.14Å; N492-R494 VanDerWaalsContact C-N 3.33Å; N492-R494 PolarHBondContact O-N 3.43Å; R494-K498 WeakPolarHBondContact O-CB 3.32Å; R494-K498 WeakPolarHBondContact O-CG 3.37Å; R494-K498 PolarHBondContact O-N 3.15Å; R494-E564 IonicContact CZ-OE1 2.83Å; R494-E564 IonicContact NE-OE1 2.68Å; R494-E564 IonicContact NH2-OE1 3.97Å; R494-E564 PolarHBondContact NH2-OE1 3.26Å |
| 495 | L | 64.3 | Low | 68 | Low | 29 Ų | 29 | 70 Ų | 70 | 15% | 0.152 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 177 | -84 | 152.3 | 0 | 0 | 0 | 111.8 | E491 N492 K498 Q499 | E491-L495 WeakPolarHBondContact O-CB 3.46Å; E491-L495 WeakPolarHBondContact O-CD1 3.27Å; E491-L495 WeakPolarHBondContact O-CG 3.35Å; E491-L495 PolarHBondContact O-N 2.92Å; N492-L495 PolarHBondContact O-N 3.47Å; L495-K498 CarbonylContact O-C 3.47Å; L495-K498 WeakPolarHBondContact O-CB 3.44Å; L495-K498 PolarHBondContact O-N 2.99Å; L495-K498 VanDerWaalsContact O-N 3.13Å; L495-Q499 PolarHBondContact O-N 3.27Å |
| 496 | M | 67.4 | Low | 69.2 | Low | 79 Ų | 79 | 72.7 Ų | 72.7 | 39% | 0.389 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.6 | -70.3 | -69.9 | -72.6 | 0 | 0 | 111.1 | N492 K498 Q499 E500 | N492-M496 WeakPolarHBondContact O-CG 3.37Å; N492-M496 PolarHBondContact O-N 3.17Å; M496-K498 VanDerWaalsContact C-N 3.28Å; M496-K498 PolarHBondContact O-N 3.47Å; M496-Q499 PolarHBondContact O-N 3.25Å; M496-Q499 VanDerWaalsContact O-N 3.16Å; M496-E500 WeakPolarHBondContact O-CB 3.48Å; M496-E500 WeakPolarHBondContact O-CG 3.48Å; M496-E500 PolarHBondContact O-N 3.19Å |
| 497 | K | 71.7 | Confident | 70.6 | Confident | 146 Ų | 146 | 80 Ų | 80 | 64% | 0.635 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.4 | -35.9 | 174 | -74 | 175.2 | -179.3 | -177.9 | 0 | 112.7 | S493 L501 | S493-K497 WeakPolarHBondContact O-CB 3.5Å; S493-K497 WeakPolarHBondContact O-CG 3.41Å; S493-K497 PolarHBondContact O-N 2.81Å; S493-K497 VanDerWaalsContact O-N 3.12Å; K497-L501 WeakPolarHBondContact O-CB 3.08Å; K497-L501 PolarHBondContact O-N 3.17Å |
| 498 | K | 70.6 | Confident | 71.9 | Confident | 44 Ų | 44 | 78.8 Ų | 78.8 | 19% | 0.191 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72 | -35 | 175.9 | -76.3 | 173.2 | -169.6 | -122.7 | 0 | 112.2 | R494 L495 M496 L501 V502 E566 | R494-K498 WeakPolarHBondContact O-CB 3.32Å; R494-K498 WeakPolarHBondContact O-CG 3.37Å; R494-K498 PolarHBondContact O-N 3.15Å; L495-K498 CarbonylContact O-C 3.47Å; L495-K498 WeakPolarHBondContact O-CB 3.44Å; L495-K498 PolarHBondContact O-N 2.99Å; L495-K498 VanDerWaalsContact O-N 3.13Å; M496-K498 VanDerWaalsContact C-N 3.28Å; M496-K498 PolarHBondContact O-N 3.47Å; K498-L501 WeakPolarHBondContact O-CB 3.26Å; K498-L501 PolarHBondContact O-N 3.47Å; K498-V502 VanDerWaalsContact O-CG2 3.3Å; K498-V502 WeakPolarHBondContact O-CG2 3.14Å; K498-V502 PolarHBondContact O-N 3Å; K498-E566 WeakPolarHBondContact CD-OE1 3.48Å; K498-E566 WeakPolarHBondContact CE-OE1 3.41Å; K498-E566 IonicContact NZ-OE1 3.49Å; K498-E566 PolarHBondContact NZ-OE1 3.06Å; K498-E566 IonicContact NZ-OE2 3.81Å |
| 499 | Q | 73.7 | Confident | 72.9 | Confident | 81 Ų | 81 | 75 Ų | 75 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.5 | -45.6 | 175.2 | -173.2 | 166.4 | -2 | 0 | 0 | 111 | L495 M496 L501 V502 E503 | L495-Q499 PolarHBondContact O-N 3.27Å; M496-Q499 PolarHBondContact O-N 3.25Å; M496-Q499 VanDerWaalsContact O-N 3.16Å; Q499-L501 VanDerWaalsContact C-N 3.26Å; Q499-L501 PolarHBondContact O-N 3.1Å; Q499-V502 PolarHBondContact O-N 3.48Å; Q499-V502 VanDerWaalsContact O-N 3.11Å; Q499-E503 PolarHBondContact O-N 3.04Å |
| 500 | E | 80.5 | Confident | 74 | Confident | 109 Ų | 109 | 75.4 Ų | 75.4 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 169.5 | -75 | 177.2 | 177.9 | 0 | 0 | 111.4 | M496 E503 N504 | M496-E500 WeakPolarHBondContact O-CB 3.48Å; M496-E500 WeakPolarHBondContact O-CG 3.48Å; M496-E500 PolarHBondContact O-N 3.19Å; E500-E503 PolarHBondContact O-N 3.18Å; E500-N504 VanDerWaalsContact O-CB 3.24Å; E500-N504 WeakPolarHBondContact O-CB 3.42Å; E500-N504 PolarHBondContact O-N 3.35Å; E500-N504 PolarHBondContact O-ND2 2.77Å; E500-N504 VanDerWaalsContact O-ND2 3.13Å |
| 501 | L | 82.6 | Confident | 75.2 | Confident | 5 Ų | 5 | 72.2 Ų | 72.2 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.8 | -50.7 | 172.7 | 168 | 68.6 | 0 | 0 | 0 | 111.3 | K497 K498 Q499 E503 N504 L505 M558 I563 E566 | K497-L501 WeakPolarHBondContact O-CB 3.08Å; K497-L501 PolarHBondContact O-N 3.17Å; K498-L501 WeakPolarHBondContact O-CB 3.26Å; K498-L501 PolarHBondContact O-N 3.47Å; Q499-L501 VanDerWaalsContact C-N 3.26Å; Q499-L501 PolarHBondContact O-N 3.1Å; L501-E503 VanDerWaalsContact C-N 3.31Å; L501-E503 PolarHBondContact O-N 3.42Å; L501-N504 PolarHBondContact O-N 2.69Å; L501-L505 HydrophobicContact CD1-CD1 3.87Å; L501-L505 HydrophobicContact CD1-CD2 4.28Å; L501-L505 HydrophobicContact CD1-CG 3.82Å; L501-L505 HydrophobicContact CG-CD1 3.94Å; L501-L505 HydrophobicContact CG-CG 4.25Å; L501-L505 WeakPolarHBondContact O-CB 3.38Å; L501-L505 VanDerWaalsContact O-CG 3.23Å; L501-L505 WeakPolarHBondContact O-CG 3.42Å; L501-L505 PolarHBondContact O-N 3.14Å; L501-M558 HydrophobicContact CD1-CG 3.74Å; L501-M558 HydrophobicContact CD1-SD 4.24Å; L501-M558 HydrophobicContact CD2-CE 3.82Å; L501-M558 HydrophobicContact CD2-SD 4.19Å; L501-I563 HydrophobicContact CD1-CD1 3.58Å; L501-I563 HydrophobicContact CD1-CG2 4.23Å; L501-I563 HydrophobicContact CD2-CG2 3.88Å; L501-E566 HydrophobicContact CD2-CG 4.12Å |
| 502 | V | 82.9 | Confident | 76.7 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | -179.3 | 171.6 | 0 | 0 | 0 | 0 | 111 | K498 Q499 L505 K506 R516 I543 | K498-V502 VanDerWaalsContact O-CG2 3.3Å; K498-V502 WeakPolarHBondContact O-CG2 3.14Å; K498-V502 PolarHBondContact O-N 3Å; Q499-V502 PolarHBondContact O-N 3.48Å; Q499-V502 VanDerWaalsContact O-N 3.11Å; V502-L505 PolarHBondContact O-N 3.47Å; V502-K506 HydrophobicContact CG1-CD 4.46Å; V502-K506 WeakPolarHBondContact O-CB 3.15Å; V502-K506 WeakPolarHBondContact O-CG 3.35Å; V502-K506 PolarHBondContact O-N 2.84Å; V502-R516 HydrophobicContact CG2-CG 3.89Å; V502-I543 HydrophobicContact CG2-CD1 4.13Å; V502-I543 HydrophobicContact CG2-CG1 4.31Å |
| 503 | E | 83.6 | Confident | 78.2 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 173.4 | -72.7 | -168 | -177.3 | 0 | 0 | 112.5 | Q499 E500 L501 K506 R507 | Q499-E503 PolarHBondContact O-N 3.04Å; E500-E503 PolarHBondContact O-N 3.18Å; L501-E503 VanDerWaalsContact C-N 3.31Å; L501-E503 PolarHBondContact O-N 3.42Å; E503-K506 PolarHBondContact O-N 3.3Å; E503-R507 WeakPolarHBondContact O-CG 3.46Å; E503-R507 PolarHBondContact O-N 3.07Å; E503-R507 VanDerWaalsContact O-N 3.08Å |
| 504 | N | 84.9 | Confident | 79.4 | Confident | 61 Ų | 61 | 69.2 Ų | 69.2 | 33% | 0.326 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 174.9 | -72.4 | -26 | 0 | 0 | 0 | 111.4 | E500 L501 R507 V508 Y557 | E500-N504 VanDerWaalsContact O-CB 3.24Å; E500-N504 WeakPolarHBondContact O-CB 3.42Å; E500-N504 PolarHBondContact O-N 3.35Å; E500-N504 PolarHBondContact O-ND2 2.77Å; E500-N504 VanDerWaalsContact O-ND2 3.13Å; L501-N504 PolarHBondContact O-N 2.69Å; N504-R507 PolarHBondContact O-N 3.35Å; N504-R507 VanDerWaalsContact O-N 3.1Å; N504-V508 WeakPolarHBondContact O-CB 3.42Å; N504-V508 VanDerWaalsContact O-CG2 3.25Å; N504-V508 WeakPolarHBondContact O-CG2 3.31Å; N504-V508 PolarHBondContact O-N 3.33Å; N504-Y557 HydrophobicContact CB-CE1 4.39Å |
| 505 | L | 86.5 | Confident | 80.5 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 175.7 | -70.6 | 178.5 | 0 | 0 | 0 | 111.6 | L501 V502 R507 V508 S509 I543 C554 Y557 M558 F568 | L501-L505 HydrophobicContact CD1-CD1 3.87Å; L501-L505 HydrophobicContact CD1-CD2 4.28Å; L501-L505 HydrophobicContact CD1-CG 3.82Å; L501-L505 HydrophobicContact CG-CD1 3.94Å; L501-L505 HydrophobicContact CG-CG 4.25Å; L501-L505 WeakPolarHBondContact O-CB 3.38Å; L501-L505 VanDerWaalsContact O-CG 3.23Å; L501-L505 WeakPolarHBondContact O-CG 3.42Å; L501-L505 PolarHBondContact O-N 3.14Å; V502-L505 PolarHBondContact O-N 3.47Å; L505-R507 PolarHBondContact O-N 3.44Å; L505-V508 PolarHBondContact O-N 2.82Å; L505-S509 VanDerWaalsContact O-CB 3.28Å; L505-S509 WeakPolarHBondContact O-CB 3.23Å; L505-S509 PolarHBondContact O-N 2.87Å; L505-S509 PolarHBondContact O-OG 3.23Å; L505-I543 HydrophobicContact CD1-CD1 4.01Å; L505-C554 HydrophobicContact CD1-CB 4.31Å; L505-C554 HydrophobicContact CD2-CB 3.69Å; L505-Y557 HydrophobicContact CD2-CD1 3.73Å; L505-Y557 HydrophobicContact CD2-CE1 4.43Å; L505-M558 HydrophobicContact CD1-SD 4.24Å; L505-M558 HydrophobicContact CD2-CG 4.34Å; L505-F568 HydrophobicContact CD1-CE1 4.18Å; L505-F568 HydrophobicContact CD1-CZ 4.01Å |
| 506 | K | 85.5 | Confident | 81.6 | Confident | 111 Ų | 111 | 62 Ų | 62 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -30 | 171.7 | -77.3 | 177.8 | 176.7 | -172.2 | 0 | 112.7 | V502 E503 V513 Y514 | V502-K506 HydrophobicContact CG1-CD 4.46Å; V502-K506 WeakPolarHBondContact O-CB 3.15Å; V502-K506 WeakPolarHBondContact O-CG 3.35Å; V502-K506 PolarHBondContact O-N 2.84Å; E503-K506 PolarHBondContact O-N 3.3Å; K506-V513 VanDerWaalsContact CE-O 3.25Å; K506-V513 WeakPolarHBondContact CE-O 3.31Å; K506-V513 HydrophobicContact CG-CB 4.05Å; K506-V513 HydrophobicContact CG-CG1 4.22Å; K506-Y514 VanDerWaalsContact CE-O 3.25Å; K506-Y514 WeakPolarHBondContact CE-O 3.12Å; K506-Y514 PolarHBondContact NZ-O 3.11Å |
| 507 | R | 83.8 | Confident | 82.5 | Confident | 191 Ų | 191 | 58.3 Ų | 58.3 | 72% | 0.721 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -84.5 | -34.6 | 178 | -69.1 | 175.2 | -169.2 | -169.9 | 7.1 | 113.9 | E503 N504 L505 | E503-R507 WeakPolarHBondContact O-CG 3.46Å; E503-R507 PolarHBondContact O-N 3.07Å; E503-R507 VanDerWaalsContact O-N 3.08Å; N504-R507 PolarHBondContact O-N 3.35Å; N504-R507 VanDerWaalsContact O-N 3.1Å; L505-R507 PolarHBondContact O-N 3.44Å |
| 508 | V | 82.1 | Confident | 83.2 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -91.2 | -32.3 | -171.5 | 173.1 | 0 | 0 | 0 | 0 | 113 | N504 L505 Y557 | N504-V508 WeakPolarHBondContact O-CB 3.42Å; N504-V508 VanDerWaalsContact O-CG2 3.25Å; N504-V508 WeakPolarHBondContact O-CG2 3.31Å; N504-V508 PolarHBondContact O-N 3.33Å; L505-V508 PolarHBondContact O-N 2.82Å; V508-Y557 HydrophobicContact CG1-CD2 3.75Å; V508-Y557 HydrophobicContact CG1-CE2 4.08Å; V508-Y557 HydrophobicContact CG1-CG 4.09Å; V508-Y557 HydrophobicContact CG2-CD2 4.38Å; V508-Y557 HydrophobicContact CG2-CE1 4.46Å; V508-Y557 HydrophobicContact CG2-CE2 3.88Å |
| 509 | S | 75.8 | Confident | 83.8 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | trans | -72.7 | 146.6 | -174.8 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | L505 G511 V513 | L505-S509 VanDerWaalsContact O-CB 3.28Å; L505-S509 WeakPolarHBondContact O-CB 3.23Å; L505-S509 PolarHBondContact O-N 2.87Å; L505-S509 PolarHBondContact O-OG 3.23Å; S509-G511 PolarHBondContact OG-O 3.19Å; S509-V513 VanDerWaalsContact OG-CG2 3.29Å; S509-V513 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 510 | T | 78.1 | Confident | 84.4 | Confident | 116 Ų | 116 | 51 Ų | 51 | 71% | 0.712 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -83.9 | -13.8 | 176.8 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | E553 | T510-E553 PolarHBondContact OG1-OE1 2.8Å; T510-E553 PolarHBondContact OG1-OE2 3.17Å |
| 511 | G | 82.2 | Confident | 84.7 | Confident | 21 Ų | 21 | 46.2 Ų | 46.2 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -112 | -172.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S509 | S509-G511 PolarHBondContact OG-O 3.19Š|
| 512 | V | 87.5 | Confident | 84.9 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 44% | 0.442 | 26% | 0.261 | S | S | . | . | trans | -89.6 | 117.1 | -175.3 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | Y514 T545 D546 | V512-Y514 HydrophobicContact CG1-CD1 4.36Å; V512-Y514 HydrophobicContact CG1-CD2 4.24Å; V512-Y514 HydrophobicContact CG1-CE1 4.13Å; V512-Y514 HydrophobicContact CG1-CE2 3.99Å; V512-Y514 HydrophobicContact CG1-CG 4.42Å; V512-T545 WeakPolarHBondContact O-CA 3.33Å; V512-D546 HydrophobicContact CB-CB 4.03Å; V512-D546 PolarHBondContact N-OD1 3.13Å; V512-D546 PolarHBondContact N-OD2 3.31Å; V512-D546 PolarHBondContact O-N 3.13Å | ||
| 513 | V | 90.3 | Very high | 85.1 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 109.8 | 167 | -179 | 0 | 0 | 0 | 0 | 108.3 | K506 S509 I543 T545 T550 | K506-V513 VanDerWaalsContact CE-O 3.25Å; K506-V513 WeakPolarHBondContact CE-O 3.31Å; K506-V513 HydrophobicContact CG-CB 4.05Å; K506-V513 HydrophobicContact CG-CG1 4.22Å; S509-V513 VanDerWaalsContact OG-CG2 3.29Å; S509-V513 WeakPolarHBondContact OG-CG2 3.34Å; V513-I543 HydrophobicContact CG1-CG2 3.74Å; V513-T545 HydrophobicContact CG2-CG2 4.2Å; V513-T550 HydrophobicContact CG2-CG2 4.1Å |
| 514 | Y | 87.9 | Confident | 85.2 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -43.9 | -177.3 | -68.8 | -86.5 | 0 | 0 | 0 | 111.6 | K506 V512 I544 D546 L571 P603 | K506-Y514 VanDerWaalsContact CE-O 3.25Å; K506-Y514 WeakPolarHBondContact CE-O 3.12Å; K506-Y514 PolarHBondContact NZ-O 3.11Å; V512-Y514 HydrophobicContact CG1-CD1 4.36Å; V512-Y514 HydrophobicContact CG1-CD2 4.24Å; V512-Y514 HydrophobicContact CG1-CE1 4.13Å; V512-Y514 HydrophobicContact CG1-CE2 3.99Å; V512-Y514 HydrophobicContact CG1-CG 4.42Å; Y514-I544 HydrophobicContact CD2-CG2 3.93Å; Y514-I544 HydrophobicContact CG-CG2 4.45Å; Y514-I544 PolarHBondContact N-O 3.37Å; Y514-D546 HydrophobicContact CE2-CB 4.46Å; Y514-L571 HydrophobicContact CD2-CD1 4.05Å; Y514-L571 HydrophobicContact CE2-CD1 3.48Å; Y514-L571 VanDerWaalsContact CE2-CD1 3.48Å; Y514-P603 HydrophobicContact CD1-CG 3.78Å; Y514-P603 HydrophobicContact CE1-CG 3.95Å |
| 515 | G | 88.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.9 | -165.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I543 I544 | G515-I543 WeakPolarHBondContact O-CA 3.23Å; G515-I544 PolarHBondContact O-N 3.2Å |
| 516 | R | 87.8 | Confident | 85.1 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 2% | 0.023 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 151.1 | 176.4 | -53.4 | 171.2 | -64.9 | 178.6 | 8.5 | 109.8 | V502 V518 D519 L520 A542 | V502-R516 HydrophobicContact CG2-CG 3.89Å; R516-V518 HydrophobicContact CB-CG1 4.03Å; R516-V518 PolarHBondContact O-N 3.35Å; R516-D519 WeakPolarHBondContact CB-OD2 3.43Å; R516-D519 IonicContact CZ-OD1 2.74Å; R516-D519 IonicContact CZ-OD2 3.06Å; R516-D519 PolarHBondContact N-OD2 3.18Å; R516-D519 IonicContact NE-OD1 3.72Å; R516-D519 PolarHBondContact NE-OD1 3.05Å; R516-D519 IonicContact NE-OD2 2.8Å; R516-D519 PolarHBondContact NE-OD2 3.01Å; R516-D519 IonicContact NH2-OD1 3.76Å; R516-D519 PolarHBondContact NH2-OD1 3.12Å; R516-D519 IonicContact NH2-OD2 3.57Å; R516-D519 PolarHBondContact NH2-OD2 2.95Å; R516-D519 WeakPolarHBondContact O-CB 3.21Å; R516-D519 PolarHBondContact O-N 3.37Å; R516-L520 WeakPolarHBondContact O-CD1 3.37Å; R516-L520 WeakPolarHBondContact O-CG 3.45Å; R516-L520 PolarHBondContact O-N 3.47Å; R516-A542 WeakPolarHBondContact CA-O 3.47Å |
| 517 | L | 87.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.2 | -36.1 | 179 | -166.2 | 66.6 | 0 | 0 | 0 | 112.7 | D519 L520 C521 L536 Y539 A542 I544 L610 A613 | L517-D519 VanDerWaalsContact C-N 3.27Å; L517-D519 PolarHBondContact O-N 2.93Å; L517-L520 PolarHBondContact O-N 3.13Å; L517-C521 PolarHBondContact O-N 2.73Å; L517-C521 PolarHBondContact O-SG 3.45Å; L517-L536 HydrophobicContact CD2-CD1 4.42Å; L517-L536 HydrophobicContact CD2-CD2 3.82Å; L517-Y539 WeakPolarHBondContact CB-O 3.29Å; L517-Y539 WeakPolarHBondContact CD2-O 3.33Å; L517-A542 PolarHBondContact N-O 3.03Å; L517-I544 HydrophobicContact CD1-CD1 3.65Å; L517-L610 HydrophobicContact CD1-CD2 3.84Å; L517-L610 HydrophobicContact CD1-CG 4.09Å; L517-L610 HydrophobicContact CD2-CD2 4.36Å; L517-L610 HydrophobicContact CG-CD2 4.32Å; L517-A613 HydrophobicContact CD2-CB 4.13Å |
| 518 | V | 85.5 | Confident | 85.4 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 10% | 0.097 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -28 | 175.9 | 67.4 | 0 | 0 | 0 | 0 | 113.7 | R516 L520 M540 W667 | R516-V518 HydrophobicContact CB-CG1 4.03Å; R516-V518 PolarHBondContact O-N 3.35Å; V518-L520 VanDerWaalsContact C-N 3.35Å; V518-M540 HydrophobicContact CB-CE 4.35Å; V518-M540 HydrophobicContact CG2-CE 3.85Å; V518-M540 PolarHBondContact N-O 3.43Å; V518-M540 VanDerWaalsContact N-O 3.09Å; V518-W667 HydrophobicContact CG2-CE3 4.1Å; V518-W667 HydrophobicContact CG2-CH2 4.17Å; V518-W667 HydrophobicContact CG2-CZ3 3.85Å |
| 519 | D | 83.1 | Confident | 85.6 | Confident | 77 Ų | 77 | 52.6 Ų | 52.6 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -81.8 | -19.5 | 179.6 | -54.1 | -35.6 | 0 | 0 | 0 | 112 | R516 L517 | R516-D519 WeakPolarHBondContact CB-OD2 3.43Å; R516-D519 IonicContact CZ-OD1 2.74Å; R516-D519 IonicContact CZ-OD2 3.06Å; R516-D519 PolarHBondContact N-OD2 3.18Å; R516-D519 IonicContact NE-OD1 3.72Å; R516-D519 PolarHBondContact NE-OD1 3.05Å; R516-D519 IonicContact NE-OD2 2.8Å; R516-D519 PolarHBondContact NE-OD2 3.01Å; R516-D519 IonicContact NH2-OD1 3.76Å; R516-D519 PolarHBondContact NH2-OD1 3.12Å; R516-D519 IonicContact NH2-OD2 3.57Å; R516-D519 PolarHBondContact NH2-OD2 2.95Å; R516-D519 WeakPolarHBondContact O-CB 3.21Å; R516-D519 PolarHBondContact O-N 3.37Å; L517-D519 VanDerWaalsContact C-N 3.27Å; L517-D519 PolarHBondContact O-N 2.93Å |
| 520 | L | 85.9 | Confident | 86.1 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -110.5 | -5.9 | -168.1 | -58.7 | 167.7 | 0 | 0 | 0 | 113.1 | R516 L517 V518 I544 Y601 E602 I606 | R516-L520 WeakPolarHBondContact O-CD1 3.37Å; R516-L520 WeakPolarHBondContact O-CG 3.45Å; R516-L520 PolarHBondContact O-N 3.47Å; L517-L520 PolarHBondContact O-N 3.13Å; V518-L520 VanDerWaalsContact C-N 3.35Å; L520-I544 HydrophobicContact CD1-CB 4.43Å; L520-I544 HydrophobicContact CD1-CD1 3.61Å; L520-I544 HydrophobicContact CD1-CG1 4.26Å; L520-Y601 WeakPolarHBondContact O-CA 3.24Å; L520-E602 PolarHBondContact O-N 3.36Å; L520-I606 HydrophobicContact CB-CD1 3.52Å; L520-I606 HydrophobicContact CD1-CG2 4.33Å; L520-I606 WeakPolarHBondContact O-CD1 3.29Å |
| 521 | C | 87 | Confident | 86.6 | Confident | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 163.8 | 176.4 | 73.2 | 0 | 0 | 0 | 0 | 111.4 | L517 V599 H600 L610 W667 | L517-C521 PolarHBondContact O-N 2.73Å; L517-C521 PolarHBondContact O-SG 3.45Å; C521-V599 HydrophobicContact CB-CG1 3.65Å; C521-H600 CarbonylContact C-O 3.52Å; C521-H600 WeakPolarHBondContact CA-O 3.48Å; C521-H600 WeakPolarHBondContact CB-O 3.4Å; C521-L610 HydrophobicContact CB-CD1 4.37Å; C521-L610 HydrophobicContact CB-CD2 4.23Å; C521-W667 WeakPolarHBondContact O-CZ3 3.37Å |
| 522 | Q | 86.6 | Confident | 86.9 | Confident | 108 Ų | 108 | 47.1 Ų | 47.1 | 51% | 0.505 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 139.3 | 175.5 | -169.7 | 175.8 | 3.8 | 0 | 0 | 110 | V524 H600 | Q522-V524 PolarHBondContact O-N 3.27Å; Q522-H600 PolarHBondContact N-O 3.04Å; Q522-H600 PolarHBondContact O-N 3.29Å |
| 523 | P | 87.2 | Confident | 86.9 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.065 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 132.4 | 170 | -22.5 | 34.5 | 0 | 0 | 0 | 110.5 | H525 L529 V532 W667 | P523-H525 PolarHBondContact O-N 3.08Å; P523-H525 VanDerWaalsContact O-N 3.08Å; P523-L529 HydrophobicContact CG-CD1 4.06Å; P523-V532 HydrophobicContact CB-CG2 4.24Å; P523-V532 HydrophobicContact CG-CB 4.06Å; P523-V532 HydrophobicContact CG-CG1 4.09Å; P523-V532 HydrophobicContact CG-CG2 4.24Å; P523-W667 HydrophobicContact CG-CD2 4.42Å; P523-W667 HydrophobicContact CG-CZ2 4.13Å |
| 524 | V | 87.3 | Confident | 86.8 | Confident | 101 Ų | 101 | 45 Ų | 45 | 61% | 0.612 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -59.1 | -27.2 | -178.3 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | Q522 V598 H600 | Q522-V524 PolarHBondContact O-N 3.27Å; V524-V598 WeakPolarHBondContact CG2-O 3.18Å; V524-V598 PolarHBondContact N-O 3.49Å; V524-H600 HydrophobicContact CG2-CB 4.23Å |
| 525 | H | 86 | Confident | 86.8 | Confident | 112 Ų | 112 | 42.9 Ų | 42.9 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -143.8 | 143.7 | 179.2 | -166.6 | -88 | 0 | 0 | 0 | 111.5 | P523 R527 Y528 | P523-H525 PolarHBondContact O-N 3.08Å; P523-H525 VanDerWaalsContact O-N 3.08Å; H525-R527 VanDerWaalsContact ND1-CB 3.3Å; H525-R527 WeakPolarHBondContact ND1-CB 3.25Å; H525-R527 PolarHBondContact ND1-N 3.28Å; H525-R527 VanDerWaalsContact ND1-N 3.12Å; H525-R527 PolarHBondContact O-N 3.45Å; H525-Y528 HydrophobicContact CB-CD2 3.78Å; H525-Y528 HydrophobicContact CB-CE2 4Å; H525-Y528 PolarHBondContact O-N 3.04Å |
| 526 | K | 83.4 | Confident | 86.8 | Confident | 161 Ų | 161 | 43 Ų | 43 | 70% | 0.7 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -55 | -25.9 | 178.9 | -70.4 | -166.6 | 176.2 | -164.1 | 0 | 113.8 | Y528 L529 | K526-Y528 PolarHBondContact O-N 3.43Å; K526-L529 WeakPolarHBondContact O-CB 3.41Å; K526-L529 PolarHBondContact O-N 2.89Å |
| 527 | R | 86.4 | Confident | 86.7 | Confident | 120 Ų | 120 | 43.8 Ų | 43.8 | 45% | 0.453 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -64.3 | -24.3 | 178.3 | -145.1 | -179.7 | 94.4 | -179.9 | 8.1 | 113.1 | H525 E621 | H525-R527 VanDerWaalsContact ND1-CB 3.3Å; H525-R527 WeakPolarHBondContact ND1-CB 3.25Å; H525-R527 PolarHBondContact ND1-N 3.28Å; H525-R527 VanDerWaalsContact ND1-N 3.12Å; H525-R527 PolarHBondContact O-N 3.45Å; R527-E621 IonicContact CZ-OE1 3.75Å; R527-E621 IonicContact NH1-OE1 2.93Å; R527-E621 IonicContact NH2-OE1 3.64Å; R527-E621 PolarHBondContact NH2-OE1 3.25Å |
| 528 | Y | 88.1 | Confident | 86.5 | Confident | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -97.4 | 0.8 | -179.3 | -56.5 | -68.7 | 0 | 0 | 0 | 113.5 | H525 K526 L530 A531 V532 K593 V598 V619 L642 | H525-Y528 HydrophobicContact CB-CD2 3.78Å; H525-Y528 HydrophobicContact CB-CE2 4Å; H525-Y528 PolarHBondContact O-N 3.04Å; K526-Y528 PolarHBondContact O-N 3.43Å; Y528-L530 PolarHBondContact O-N 3.29Å; Y528-A531 PolarHBondContact O-N 3.47Å; Y528-V532 WeakPolarHBondContact O-CG2 3.4Å; Y528-V532 PolarHBondContact O-N 3.42Å; Y528-K593 PolarHBondContact OH-NZ 3.1Å; Y528-V598 VanDerWaalsContact CB-CG1 3.46Å; Y528-V598 HydrophobicContact CD1-CG1 3.67Å; Y528-V598 HydrophobicContact CD2-CG1 3.13Å; Y528-V598 HydrophobicContact CE1-CG1 4.11Å; Y528-V598 HydrophobicContact CE2-CG1 3.64Å; Y528-V598 HydrophobicContact CG-CG1 3.14Å; Y528-V619 HydrophobicContact CD1-CG2 4.19Å; Y528-V619 HydrophobicContact CE1-CG1 4.47Å; Y528-L642 HydrophobicContact CD1-CD2 3.62Å; Y528-L642 HydrophobicContact CE1-CD2 3.95Å |
| 529 | L | 86.4 | Confident | 86.6 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.188 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.7 | -49.9 | -173.9 | -161.9 | 73.6 | 0 | 0 | 0 | 112.2 | P523 K526 T533 A664 W667 | P523-L529 HydrophobicContact CG-CD1 4.06Å; K526-L529 WeakPolarHBondContact O-CB 3.41Å; K526-L529 PolarHBondContact O-N 2.89Å; L529-T533 WeakPolarHBondContact O-CB 3.4Å; L529-T533 PolarHBondContact O-N 3.17Å; L529-T533 PolarHBondContact O-OG1 3.07Å; L529-A664 HydrophobicContact CD2-CB 3.92Å; L529-A664 WeakPolarHBondContact CD2-O 3.33Å; L529-A664 HydrophobicContact CG-CB 3.97Å; L529-W667 HydrophobicContact CD1-CB 3.69Å; L529-W667 HydrophobicContact CD1-CD2 4.21Å; L529-W667 HydrophobicContact CD1-CG 3.39Å; L529-W667 HydrophobicContact CG-CG 4.33Å |
| 530 | L | 86.2 | Confident | 86.7 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 19% | 0.188 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.1 | -47.1 | 179.7 | -68.5 | 170.6 | 0 | 0 | 0 | 111.6 | Y528 V532 T533 K534 L642 L660 K661 A664 | Y528-L530 PolarHBondContact O-N 3.29Å; L530-V532 PolarHBondContact O-N 3.45Å; L530-T533 PolarHBondContact O-N 2.92Å; L530-K534 WeakPolarHBondContact O-CB 3.39Å; L530-K534 PolarHBondContact O-N 3.4Å; L530-L642 WeakPolarHBondContact CB-O 2.75Å; L530-L660 HydrophobicContact CB-CD2 4.01Å; L530-L660 HydrophobicContact CD2-CB 4.39Å; L530-L660 HydrophobicContact CD2-CD2 4.02Å; L530-L660 HydrophobicContact CD2-CG 4.07Å; L530-K661 HydrophobicContact CD2-CG 3.89Å; L530-A664 HydrophobicContact CD2-CB 3.85Å |
| 531 | A | 88 | Confident | 86.6 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y528 K534 V535 V619 V640 | Y528-A531 PolarHBondContact O-N 3.47Å; A531-K534 PolarHBondContact O-N 3.02Å; A531-V535 WeakPolarHBondContact O-CG2 3.42Å; A531-V535 PolarHBondContact O-N 3.25Å; A531-V619 HydrophobicContact CB-CG2 3.85Å; A531-V640 HydrophobicContact CB-CG1 4.02Å; A531-V640 HydrophobicContact CB-CG2 4.18Å |
| 532 | V | 89.4 | Confident | 86.7 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 178.2 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | P523 Y528 L530 K534 V535 L536 V595 V599 W667 | P523-V532 HydrophobicContact CB-CG2 4.24Å; P523-V532 HydrophobicContact CG-CB 4.06Å; P523-V532 HydrophobicContact CG-CG1 4.09Å; P523-V532 HydrophobicContact CG-CG2 4.24Å; Y528-V532 WeakPolarHBondContact O-CG2 3.4Å; Y528-V532 PolarHBondContact O-N 3.42Å; L530-V532 PolarHBondContact O-N 3.45Å; V532-K534 VanDerWaalsContact C-N 3.26Å; V532-K534 PolarHBondContact O-N 3.07Å; V532-V535 PolarHBondContact O-N 3.4Å; V532-V535 VanDerWaalsContact O-N 3.16Å; V532-L536 HydrophobicContact CG1-CD1 3.86Å; V532-L536 HydrophobicContact CG1-CG 4.17Å; V532-L536 WeakPolarHBondContact O-CG 3.34Å; V532-L536 PolarHBondContact O-N 2.75Å; V532-V595 HydrophobicContact CG2-CG1 4.36Å; V532-V599 HydrophobicContact CB-CG2 4.45Å; V532-V599 HydrophobicContact CG1-CG2 3.68Å; V532-V599 HydrophobicContact CG2-CG2 3.83Å; V532-W667 HydrophobicContact CG1-CZ2 4.41Å |
| 533 | T | 87.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -40.9 | 177.4 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | L529 L530 G537 M540 L660 R663 A664 W667 | L529-T533 WeakPolarHBondContact O-CB 3.4Å; L529-T533 PolarHBondContact O-N 3.17Å; L529-T533 PolarHBondContact O-OG1 3.07Å; L530-T533 PolarHBondContact O-N 2.92Å; T533-G537 PolarHBondContact O-N 3.06Å; T533-M540 HydrophobicContact CG2-CE 4.49Å; T533-M540 HydrophobicContact CG2-SD 3.68Å; T533-L660 HydrophobicContact CG2-CD1 4.05Å; T533-R663 HydrophobicContact CG2-CB 3.75Å; T533-A664 HydrophobicContact CG2-CB 4.45Å; T533-W667 PolarHBondContact OG1-NE1 3.43Å |
| 534 | K | 87.5 | Confident | 87.1 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.7 | -43.4 | 177.4 | -170.5 | 71.8 | 173.8 | -176.6 | 0 | 112.3 | L530 A531 V532 G537 V640 G644 L646 S654 G655 L660 | L530-K534 WeakPolarHBondContact O-CB 3.39Å; L530-K534 PolarHBondContact O-N 3.4Å; A531-K534 PolarHBondContact O-N 3.02Å; V532-K534 VanDerWaalsContact C-N 3.26Å; V532-K534 PolarHBondContact O-N 3.07Å; K534-G537 PolarHBondContact O-N 2.83Å; K534-V640 HydrophobicContact CB-CG2 4.33Å; K534-V640 HydrophobicContact CG-CG2 4.46Å; K534-G644 WeakPolarHBondContact CD-O 3.41Å; K534-G644 WeakPolarHBondContact CE-O 3.36Å; K534-G644 VanDerWaalsContact CG-O 3.27Å; K534-G644 WeakPolarHBondContact CG-O 3.49Å; K534-L646 HydrophobicContact CG-CB 3.76Å; K534-L646 HydrophobicContact CG-CD2 4.26Å; K534-S654 WeakPolarHBondContact CE-O 3.45Å; K534-S654 VanDerWaalsContact CE-OG 3.26Å; K534-S654 WeakPolarHBondContact CE-OG 3.45Å; K534-G655 PolarHBondContact NZ-O 3.44Å; K534-L660 HydrophobicContact CB-CD1 3.82Å; K534-L660 HydrophobicContact CB-CD2 4.01Å; K534-L660 HydrophobicContact CD-CD1 3.61Å; K534-L660 HydrophobicContact CD-CD2 4.18Å; K534-L660 HydrophobicContact CG-CD1 4.34Å |
| 535 | V | 88.8 | Confident | 87.3 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.6 | -43.4 | -176.9 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | A531 V532 V595 C614 A617 V640 L646 | A531-V535 WeakPolarHBondContact O-CG2 3.42Å; A531-V535 PolarHBondContact O-N 3.25Å; V532-V535 PolarHBondContact O-N 3.4Å; V532-V535 VanDerWaalsContact O-N 3.16Å; V535-V595 HydrophobicContact CB-CG1 4.26Å; V535-V595 HydrophobicContact CG1-CB 4.5Å; V535-V595 HydrophobicContact CG1-CG1 4.05Å; V535-V595 HydrophobicContact CG1-CG2 4.42Å; V535-V595 HydrophobicContact CG2-CG1 4.37Å; V535-V595 HydrophobicContact CG2-CG2 3.93Å; V535-C614 HydrophobicContact CG1-CB 4.44Å; V535-A617 HydrophobicContact CG1-CB 3.87Å; V535-A617 HydrophobicContact CG2-CB 4.39Å; V535-V640 HydrophobicContact CG2-CB 3.95Å; V535-V640 HydrophobicContact CG2-CG1 3.59Å; V535-V640 HydrophobicContact CG2-CG2 4.21Å; V535-L646 HydrophobicContact CG2-CD1 4.45Å |
| 536 | L | 88 | Confident | 87.5 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.6 | -38.5 | 176.9 | -67.1 | -178.3 | 0 | 0 | 0 | 111.3 | L517 V532 N538 Y539 M540 A613 W667 | L517-L536 HydrophobicContact CD2-CD1 4.42Å; L517-L536 HydrophobicContact CD2-CD2 3.82Å; V532-L536 HydrophobicContact CG1-CD1 3.86Å; V532-L536 HydrophobicContact CG1-CG 4.17Å; V532-L536 WeakPolarHBondContact O-CG 3.34Å; V532-L536 PolarHBondContact O-N 2.75Å; L536-N538 PolarHBondContact O-N 3.25Å; L536-Y539 VanDerWaalsContact O-CB 3.3Å; L536-Y539 WeakPolarHBondContact O-CB 3.35Å; L536-Y539 WeakPolarHBondContact O-CD2 3.42Å; L536-Y539 PolarHBondContact O-N 3.09Å; L536-M540 HydrophobicContact CB-CG 3.64Å; L536-M540 HydrophobicContact CD1-CG 4.19Å; L536-A613 HydrophobicContact CD2-CB 3.88Å; L536-W667 HydrophobicContact CD1-CH2 4.5Å; L536-W667 HydrophobicContact CD1-CZ2 4.38Å |
| 537 | G | 84.2 | Confident | 87.8 | Confident | 23 Ų | 23 | 30.5 Ų | 30.5 | 24% | 0.237 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | 53.5 | -122.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T533 K534 Y539 M540 | T533-G537 PolarHBondContact O-N 3.06Å; K534-G537 PolarHBondContact O-N 2.83Å; G537-Y539 VanDerWaalsContact C-N 3.26Å; G537-Y539 PolarHBondContact O-N 3.3Å; G537-M540 PolarHBondContact O-N 2.96Å |
| 538 | N | 82.9 | Confident | 88.1 | Confident | 131 Ų | 131 | 27.8 Ų | 27.8 | 70% | 0.701 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -70.2 | -21.4 | -180 | -64.5 | -7 | 0 | 0 | 0 | 113 | L536 M540 | L536-N538 PolarHBondContact O-N 3.25Å; N538-M540 PolarHBondContact O-N 3.35Å |
| 539 | Y | 88.2 | Confident | 88.2 | Confident | 83 Ų | 83 | 32 Ų | 32 | 33% | 0.325 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -71.2 | -11.2 | 178.3 | -61.9 | -66.3 | 0 | 0 | 0 | 113.5 | L517 L536 G537 N541 A542 L569 F612 A613 | L517-Y539 WeakPolarHBondContact CB-O 3.29Å; L517-Y539 WeakPolarHBondContact CD2-O 3.33Å; L536-Y539 VanDerWaalsContact O-CB 3.3Å; L536-Y539 WeakPolarHBondContact O-CB 3.35Å; L536-Y539 WeakPolarHBondContact O-CD2 3.42Å; L536-Y539 PolarHBondContact O-N 3.09Å; G537-Y539 VanDerWaalsContact C-N 3.26Å; G537-Y539 PolarHBondContact O-N 3.3Å; Y539-N541 PolarHBondContact O-N 2.92Å; Y539-A542 HydrophobicContact CD1-CB 4.43Å; Y539-A542 WeakPolarHBondContact O-CB 3.48Å; Y539-A542 PolarHBondContact O-N 2.77Å; Y539-L569 HydrophobicContact CD1-CD1 4.33Å; Y539-L569 HydrophobicContact CE1-CD2 4.48Å; Y539-F612 HydrophobicContact CD1-CE1 4.48Å; Y539-F612 HydrophobicContact CE1-CD1 4.34Å; Y539-F612 AromaticContact CE1-CE1 3.65Å; Y539-F612 HydrophobicContact CE1-CE1 3.65Å; Y539-F612 AromaticContact CZ-CE1 3.71Å; Y539-A613 HydrophobicContact CD2-CB 4.12Å; Y539-A613 HydrophobicContact CG-CB 4.16Å |
| 540 | M | 85.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -54.6 | -37.6 | 174.2 | -77.3 | -170.9 | 69.9 | 0 | 0 | 112.7 | V518 T533 L536 G537 N538 W667 | V518-M540 HydrophobicContact CB-CE 4.35Å; V518-M540 HydrophobicContact CG2-CE 3.85Å; V518-M540 PolarHBondContact N-O 3.43Å; V518-M540 VanDerWaalsContact N-O 3.09Å; T533-M540 HydrophobicContact CG2-CE 4.49Å; T533-M540 HydrophobicContact CG2-SD 3.68Å; L536-M540 HydrophobicContact CB-CG 3.64Å; L536-M540 HydrophobicContact CD1-CG 4.19Å; G537-M540 PolarHBondContact O-N 2.96Å; N538-M540 PolarHBondContact O-N 3.35Å; M540-W667 HydrophobicContact CE-CZ2 4.05Å |
| 541 | N | 83.9 | Confident | 88.6 | Confident | 39 Ų | 39 | 29 Ų | 29 | 21% | 0.209 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -95.8 | 4.9 | -178.7 | -66.6 | -14.2 | 0 | 0 | 0 | 112.9 | Y539 I543 | Y539-N541 PolarHBondContact O-N 2.92Å; N541-I543 PolarHBondContact O-N 3.38Å |
| 542 | A | 89 | Confident | 88.7 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 132.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R516 L517 Y539 T567 L569 | R516-A542 WeakPolarHBondContact CA-O 3.47Å; L517-A542 PolarHBondContact N-O 3.03Å; Y539-A542 HydrophobicContact CD1-CB 4.43Å; Y539-A542 WeakPolarHBondContact O-CB 3.48Å; Y539-A542 PolarHBondContact O-N 2.77Å; A542-T567 CarbonylContact C-O 3.47Å; A542-T567 WeakPolarHBondContact CA-O 3.46Å; A542-T567 HydrophobicContact CB-CG2 4.19Å; A542-L569 HydrophobicContact CB-CD1 3.73Å; A542-L569 HydrophobicContact CB-CG 3.98Å |
| 543 | I | 90.7 | Very high | 88.7 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 121.5 | 179.9 | -57.7 | 173.9 | 0 | 0 | 0 | 108.6 | V502 L505 V513 G515 N541 T545 E566 T567 F568 L569 | V502-I543 HydrophobicContact CG2-CD1 4.13Å; V502-I543 HydrophobicContact CG2-CG1 4.31Å; L505-I543 HydrophobicContact CD1-CD1 4.01Å; V513-I543 HydrophobicContact CG1-CG2 3.74Å; G515-I543 WeakPolarHBondContact O-CA 3.23Å; N541-I543 PolarHBondContact O-N 3.38Å; I543-T545 HydrophobicContact CG2-CG2 4.48Å; I543-E566 HydrophobicContact CD1-CB 4.15Å; I543-E566 HydrophobicContact CD1-CG 4.47Å; I543-T567 PolarHBondContact N-O 3.05Å; I543-F568 HydrophobicContact CB-CD1 3.86Å; I543-F568 HydrophobicContact CB-CE1 3.89Å; I543-F568 HydrophobicContact CD1-CE1 3.94Å; I543-F568 HydrophobicContact CD1-CZ 3.91Å; I543-F568 HydrophobicContact CG2-CD1 3.94Å; I543-F568 HydrophobicContact CG2-CE1 3.76Å; I543-F568 CarbonylContact O-C 3.53Å; I543-F568 WeakPolarHBondContact O-CA 3.35Å; I543-L569 PolarHBondContact O-N 2.86Å |
| 544 | I | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.9 | -178.8 | -52.4 | 178.6 | 0 | 0 | 0 | 109.4 | Y514 G515 L517 L520 L571 I606 A609 | Y514-I544 HydrophobicContact CD2-CG2 3.93Å; Y514-I544 HydrophobicContact CG-CG2 4.45Å; Y514-I544 PolarHBondContact N-O 3.37Å; G515-I544 PolarHBondContact O-N 3.2Å; L517-I544 HydrophobicContact CD1-CD1 3.65Å; L520-I544 HydrophobicContact CD1-CB 4.43Å; L520-I544 HydrophobicContact CD1-CD1 3.61Å; L520-I544 HydrophobicContact CD1-CG1 4.26Å; I544-L571 HydrophobicContact CG2-CD1 4.02Å; I544-L571 HydrophobicContact CG2-CD2 3.8Å; I544-L571 HydrophobicContact CG2-CG 3.79Å; I544-I606 HydrophobicContact CD1-CB 4.03Å; I544-I606 HydrophobicContact CD1-CG2 3.99Å; I544-A609 HydrophobicContact CD1-CB 4.07Å; I544-A609 HydrophobicContact CG1-CB 4.45Å |
| 545 | T | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 156.3 | 177.2 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | V512 V513 I543 T547 A551 F568 L569 P570 L571 | V512-T545 WeakPolarHBondContact O-CA 3.33Å; V513-T545 HydrophobicContact CG2-CG2 4.2Å; I543-T545 HydrophobicContact CG2-CG2 4.48Å; T545-T547 PolarHBondContact OG1-O 3.21Å; T545-A551 HydrophobicContact CG2-CB 4.5Å; T545-F568 HydrophobicContact CG2-CD1 3.86Å; T545-F568 HydrophobicContact CG2-CE1 4.4Å; T545-L569 PolarHBondContact N-O 2.71Å; T545-L569 VanDerWaalsContact N-O 3.17Å; T545-P570 WeakPolarHBondContact O-CA 3.23Å; T545-P570 WeakPolarHBondContact OG1-CA 3.33Å; T545-L571 WeakPolarHBondContact O-CG 3.44Å; T545-L571 PolarHBondContact O-N 3.49Å |
| 546 | D | 90.5 | Very high | 88.8 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -64.4 | -52 | 173.8 | 55.5 | -6.1 | 0 | 0 | 0 | 112.8 | V512 Y514 T550 L571 D572 | V512-D546 HydrophobicContact CB-CB 4.03Å; V512-D546 PolarHBondContact N-OD1 3.13Å; V512-D546 PolarHBondContact N-OD2 3.31Å; V512-D546 PolarHBondContact O-N 3.13Å; Y514-D546 HydrophobicContact CE2-CB 4.46Å; D546-T550 WeakPolarHBondContact OD1-CB 3.49Å; D546-T550 PolarHBondContact OD1-OG1 2.95Å; D546-L571 PolarHBondContact O-N 3.42Å; D546-D572 PolarHBondContact O-N 3.22Å; D546-D572 VanDerWaalsContact O-N 3.11Å |
| 547 | T | 90.8 | Very high | 88.8 | Confident | 44 Ų | 44 | 46.9 Ų | 46.9 | 27% | 0.27 | 22% | 0.219 | S | C | . | . | trans | -125.5 | 156.9 | -173.1 | 72.5 | 0 | 0 | 0 | 0 | 114.2 | T545 K549 T550 A551 D572 | T545-T547 PolarHBondContact OG1-O 3.21Å; T547-K549 PolarHBondContact O-N 3.48Å; T547-T550 PolarHBondContact O-N 3.1Å; T547-T550 PolarHBondContact OG1-N 2.84Å; T547-T550 PolarHBondContact OG1-OG1 3.34Å; T547-A551 PolarHBondContact O-N 3.44Å; T547-A551 VanDerWaalsContact O-N 3.13Å; T547-D572 VanDerWaalsContact CA-CG 3.4Å; T547-D572 VanDerWaalsContact CA-OD1 3.27Å; T547-D572 WeakPolarHBondContact CA-OD1 3.19Å; T547-D572 VanDerWaalsContact CA-OD2 3.28Å; T547-D572 WeakPolarHBondContact CA-OD2 3.01Å; T547-D572 VanDerWaalsContact CB-OD2 3.3Å; T547-D572 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 548 | E | 90.8 | Very high | 89 | Confident | 62 Ų | 62 | 46.2 Ų | 46.2 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60 | -32.9 | 170.9 | -165.9 | -142.7 | 129.3 | 0 | 0 | 111.7 | A551 R552 P570 D572 Y573 | E548-A551 PolarHBondContact O-N 3.13Å; E548-R552 PolarHBondContact O-N 2.88Å; E548-R552 IonicContact OE1-CZ 3.91Å; E548-R552 VanDerWaalsContact OE1-CZ 3.26Å; E548-R552 IonicContact OE1-NE 3.26Å; E548-R552 PolarHBondContact OE1-NE 3.44Å; E548-R552 IonicContact OE1-NH2 3.74Å; E548-R552 PolarHBondContact OE1-NH2 2.94Å; E548-R552 IonicContact OE2-NH2 2.98Å; E548-P570 HydrophobicContact CB-CB 4.4Å; E548-D572 PolarHBondContact N-OD1 2.89Å; E548-D572 PolarHBondContact N-OD2 3.4Å; E548-Y573 HydrophobicContact CB-CD2 4.46Å; E548-Y573 HydrophobicContact CB-CG 4.46Å; E548-Y573 HydrophobicContact CG-CG 4.48Å |
| 549 | K | 90.6 | Very high | 89.1 | Confident | 122 Ų | 122 | 47.6 Ų | 47.6 | 53% | 0.53 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -48.8 | 176.4 | -173.6 | -173.8 | 173.2 | -165.4 | 0 | 111.1 | T547 A551 R552 E553 | T547-K549 PolarHBondContact O-N 3.48Å; K549-A551 VanDerWaalsContact C-N 3.29Å; K549-A551 PolarHBondContact O-N 3.47Å; K549-R552 PolarHBondContact O-N 3.06Å; K549-R552 VanDerWaalsContact O-N 3.16Å; K549-E553 VanDerWaalsContact CE-OE1 3.31Å; K549-E553 WeakPolarHBondContact CE-OE1 3.34Å; K549-E553 WeakPolarHBondContact O-CG 3.44Å; K549-E553 PolarHBondContact O-N 3Å |
| 550 | T | 91.2 | Very high | 89 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.1 | -43 | 175.7 | -48 | 0 | 0 | 0 | 0 | 110.8 | V513 D546 T547 R552 E553 C554 | V513-T550 HydrophobicContact CG2-CG2 4.1Å; D546-T550 WeakPolarHBondContact OD1-CB 3.49Å; D546-T550 PolarHBondContact OD1-OG1 2.95Å; T547-T550 PolarHBondContact O-N 3.1Å; T547-T550 PolarHBondContact OG1-N 2.84Å; T547-T550 PolarHBondContact OG1-OG1 3.34Å; T550-R552 PolarHBondContact O-N 2.84Å; T550-E553 PolarHBondContact O-N 3.14Å; T550-C554 PolarHBondContact O-N 3.16Å; T550-C554 PolarHBondContact O-SG 2.65Å |
| 551 | A | 90.1 | Very high | 89 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 5% | 0.05 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T545 T547 E548 K549 C554 I555 F568 | T545-A551 HydrophobicContact CG2-CB 4.5Å; T547-A551 PolarHBondContact O-N 3.44Å; T547-A551 VanDerWaalsContact O-N 3.13Å; E548-A551 PolarHBondContact O-N 3.13Å; K549-A551 VanDerWaalsContact C-N 3.29Å; K549-A551 PolarHBondContact O-N 3.47Å; A551-C554 PolarHBondContact O-N 2.9Å; A551-I555 WeakPolarHBondContact O-CB 3.45Å; A551-I555 WeakPolarHBondContact O-CD1 3.43Å; A551-I555 WeakPolarHBondContact O-CG1 3.36Å; A551-I555 PolarHBondContact O-N 3.1Å; A551-F568 HydrophobicContact CB-CB 3.99Å; A551-F568 HydrophobicContact CB-CD1 4.35Å; A551-F568 HydrophobicContact CB-CG 4.3Å |
| 552 | R | 90.3 | Very high | 88.8 | Confident | 141 Ų | 141 | 63.1 Ų | 63.1 | 53% | 0.532 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.9 | -80 | -170.4 | -93 | 127.9 | -8.1 | 113 | E548 K549 T550 I555 R556 | E548-R552 PolarHBondContact O-N 2.88Å; E548-R552 IonicContact OE1-CZ 3.91Å; E548-R552 VanDerWaalsContact OE1-CZ 3.26Å; E548-R552 IonicContact OE1-NE 3.26Å; E548-R552 PolarHBondContact OE1-NE 3.44Å; E548-R552 IonicContact OE1-NH2 3.74Å; E548-R552 PolarHBondContact OE1-NH2 2.94Å; E548-R552 IonicContact OE2-NH2 2.98Å; K549-R552 PolarHBondContact O-N 3.06Å; K549-R552 VanDerWaalsContact O-N 3.16Å; T550-R552 PolarHBondContact O-N 2.84Å; R552-I555 PolarHBondContact O-N 3.05Å; R552-R556 WeakPolarHBondContact O-CB 3.05Å; R552-R556 PolarHBondContact O-N 3.37Å |
| 553 | E | 88.9 | Confident | 88.3 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 16% | 0.159 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 175.3 | -70.5 | -179.5 | -176.1 | 0 | 0 | 111.4 | T510 K549 T550 I555 R556 Y557 | T510-E553 PolarHBondContact OG1-OE1 2.8Å; T510-E553 PolarHBondContact OG1-OE2 3.17Å; K549-E553 VanDerWaalsContact CE-OE1 3.31Å; K549-E553 WeakPolarHBondContact CE-OE1 3.34Å; K549-E553 WeakPolarHBondContact O-CG 3.44Å; K549-E553 PolarHBondContact O-N 3Å; T550-E553 PolarHBondContact O-N 3.14Å; E553-I555 PolarHBondContact O-N 2.83Å; E553-R556 PolarHBondContact O-N 3.32Å; E553-Y557 PolarHBondContact O-N 3.44Å |
| 554 | C | 89 | Confident | 87.8 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 175 | -68.3 | 0 | 0 | 0 | 0 | 112.1 | L505 T550 A551 R556 Y557 M558 F568 | L505-C554 HydrophobicContact CD1-CB 4.31Å; L505-C554 HydrophobicContact CD2-CB 3.69Å; T550-C554 PolarHBondContact O-N 3.16Å; T550-C554 PolarHBondContact O-SG 2.65Å; A551-C554 PolarHBondContact O-N 2.9Å; C554-R556 VanDerWaalsContact C-N 3.33Å; C554-R556 PolarHBondContact O-N 3.35Å; C554-Y557 PolarHBondContact O-N 3.1Å; C554-M558 VanDerWaalsContact O-CG 3.32Å; C554-M558 WeakPolarHBondContact O-CG 3.16Å; C554-M558 PolarHBondContact O-N 3.44Å; C554-F568 HydrophobicContact CB-CE1 3.63Å; C554-F568 HydrophobicContact CB-CZ 3.76Å |
| 555 | I | 89.1 | Confident | 87.5 | Confident | 62 Ų | 62 | 76.7 Ų | 76.7 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 177.7 | -70.2 | 164.3 | 0 | 0 | 0 | 111.3 | A551 R552 E553 M558 K559 F568 | A551-I555 WeakPolarHBondContact O-CB 3.45Å; A551-I555 WeakPolarHBondContact O-CD1 3.43Å; A551-I555 WeakPolarHBondContact O-CG1 3.36Å; A551-I555 PolarHBondContact O-N 3.1Å; R552-I555 PolarHBondContact O-N 3.05Å; E553-I555 PolarHBondContact O-N 2.83Å; I555-M558 PolarHBondContact O-N 2.9Å; I555-K559 HydrophobicContact CG2-CD 4.39Å; I555-K559 WeakPolarHBondContact O-CG 3.45Å; I555-K559 PolarHBondContact O-N 3.19Å; I555-F568 HydrophobicContact CD1-CD2 3.92Å; I555-F568 HydrophobicContact CD1-CE2 4.35Å; I555-F568 HydrophobicContact CG1-CD2 3.66Å; I555-F568 HydrophobicContact CG1-CE2 3.57Å; I555-F568 HydrophobicContact CG1-CZ 4.35Å |
| 556 | R | 88.9 | Confident | 87.3 | Confident | 146 Ų | 146 | 78.4 Ų | 78.4 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.7 | -48.2 | 175.7 | 176.1 | 178.7 | 54.9 | -170.3 | -3.7 | 111 | R552 E553 C554 M558 K559 E560 | R552-R556 WeakPolarHBondContact O-CB 3.05Å; R552-R556 PolarHBondContact O-N 3.37Å; E553-R556 PolarHBondContact O-N 3.32Å; C554-R556 VanDerWaalsContact C-N 3.33Å; C554-R556 PolarHBondContact O-N 3.35Å; R556-M558 VanDerWaalsContact C-N 3.31Å; R556-M558 PolarHBondContact O-N 2.83Å; R556-K559 WeakPolarHBondContact O-CB 3.47Å; R556-K559 PolarHBondContact O-N 3.26Å; R556-K559 VanDerWaalsContact O-N 3.15Å; R556-E560 WeakPolarHBondContact CG-OE1 3.44Å; R556-E560 WeakPolarHBondContact O-CG 3.44Å; R556-E560 PolarHBondContact O-N 2.85Å |
| 557 | Y | 87.5 | Confident | 87.3 | Confident | 44 Ų | 44 | 79.8 Ų | 79.8 | 17% | 0.173 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58 | -43.5 | 175.3 | 177.6 | -100.6 | 0 | 0 | 0 | 112 | N504 L505 V508 E553 C554 K559 E560 Q561 | N504-Y557 HydrophobicContact CB-CE1 4.39Å; L505-Y557 HydrophobicContact CD2-CD1 3.73Å; L505-Y557 HydrophobicContact CD2-CE1 4.43Å; V508-Y557 HydrophobicContact CG1-CD2 3.75Å; V508-Y557 HydrophobicContact CG1-CE2 4.08Å; V508-Y557 HydrophobicContact CG1-CG 4.09Å; V508-Y557 HydrophobicContact CG2-CD2 4.38Å; V508-Y557 HydrophobicContact CG2-CE1 4.46Å; V508-Y557 HydrophobicContact CG2-CE2 3.88Å; E553-Y557 PolarHBondContact O-N 3.44Å; C554-Y557 PolarHBondContact O-N 3.1Å; Y557-K559 VanDerWaalsContact C-N 3.35Å; Y557-K559 PolarHBondContact O-N 3.29Å; Y557-E560 PolarHBondContact O-N 3.1Å; Y557-Q561 HydrophobicContact CD1-CG 4.36Å; Y557-Q561 HydrophobicContact CD2-CG 4.37Å; Y557-Q561 HydrophobicContact CE1-CG 3.96Å; Y557-Q561 HydrophobicContact CE2-CG 3.97Å; Y557-Q561 WeakPolarHBondContact O-CG 3.46Å; Y557-Q561 PolarHBondContact O-N 2.99Å |
| 558 | M | 88.1 | Confident | 87.3 | Confident | 8 Ų | 8 | 78.9 Ų | 78.9 | 4% | 0.039 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -39.7 | 176 | -74.2 | 178.5 | 65.9 | 0 | 0 | 113.1 | L501 L505 C554 I555 R556 Q561 R562 I563 E564 E566 F568 | L501-M558 HydrophobicContact CD1-CG 3.74Å; L501-M558 HydrophobicContact CD1-SD 4.24Å; L501-M558 HydrophobicContact CD2-CE 3.82Å; L501-M558 HydrophobicContact CD2-SD 4.19Å; L505-M558 HydrophobicContact CD1-SD 4.24Å; L505-M558 HydrophobicContact CD2-CG 4.34Å; C554-M558 VanDerWaalsContact O-CG 3.32Å; C554-M558 WeakPolarHBondContact O-CG 3.16Å; C554-M558 PolarHBondContact O-N 3.44Å; I555-M558 PolarHBondContact O-N 2.9Å; R556-M558 VanDerWaalsContact C-N 3.31Å; R556-M558 PolarHBondContact O-N 2.83Å; M558-Q561 CarbonylContact O-C 3.55Å; M558-Q561 PolarHBondContact O-N 3.44Å; M558-R562 PolarHBondContact O-N 2.83Å; M558-I563 HydrophobicContact CB-CB 4.31Å; M558-I563 HydrophobicContact CE-CB 4.33Å; M558-I563 HydrophobicContact CE-CG2 3.94Å; M558-I563 HydrophobicContact CG-CB 4.49Å; M558-I563 PolarHBondContact O-N 3.28Å; M558-E564 WeakPolarHBondContact CE-O 3.33Å; M558-E566 HydrophobicContact CE-CB 3.83Å; M558-E566 HydrophobicContact CE-CG 3.67Å; M558-E566 HydrophobicContact SD-CB 4.49Å; M558-F568 HydrophobicContact SD-CE2 3.7Å; M558-F568 HydrophobicContact SD-CZ 3.56Å; M558-F568 VanDerWaalsContact SD-CZ 3.56Å |
| 559 | K | 86.7 | Confident | 87.3 | Confident | 161 Ų | 161 | 76.5 Ų | 76.5 | 70% | 0.7 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 175.6 | -74.6 | 179.5 | -176.6 | -176.4 | 0 | 111.9 | I555 R556 Y557 Q561 R562 | I555-K559 HydrophobicContact CG2-CD 4.39Å; I555-K559 WeakPolarHBondContact O-CG 3.45Å; I555-K559 PolarHBondContact O-N 3.19Å; R556-K559 WeakPolarHBondContact O-CB 3.47Å; R556-K559 PolarHBondContact O-N 3.26Å; R556-K559 VanDerWaalsContact O-N 3.15Å; Y557-K559 VanDerWaalsContact C-N 3.35Å; Y557-K559 PolarHBondContact O-N 3.29Å; K559-Q561 VanDerWaalsContact C-N 3.35Å; K559-R562 PolarHBondContact O-N 3.03Å |
| 560 | E | 85.9 | Confident | 87.4 | Confident | 124 Ų | 124 | 71.7 Ų | 71.7 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 176.4 | -72.2 | 166.1 | -170.7 | 0 | 0 | 111.5 | R556 Y557 R562 | R556-E560 WeakPolarHBondContact CG-OE1 3.44Å; R556-E560 WeakPolarHBondContact O-CG 3.44Å; R556-E560 PolarHBondContact O-N 2.85Å; Y557-E560 PolarHBondContact O-N 3.1Å; E560-R562 VanDerWaalsContact C-N 3.26Å; E560-R562 PolarHBondContact O-N 3.22Å |
| 561 | Q | 83.9 | Confident | 87.3 | Confident | 107 Ų | 107 | 72.2 Ų | 72.2 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0.5 | 177.3 | -62.4 | -60.5 | -28.8 | 0 | 0 | 113.9 | Y557 M558 K559 I563 | Y557-Q561 HydrophobicContact CD1-CG 4.36Å; Y557-Q561 HydrophobicContact CD2-CG 4.37Å; Y557-Q561 HydrophobicContact CE1-CG 3.96Å; Y557-Q561 HydrophobicContact CE2-CG 3.97Å; Y557-Q561 WeakPolarHBondContact O-CG 3.46Å; Y557-Q561 PolarHBondContact O-N 2.99Å; M558-Q561 CarbonylContact O-C 3.55Å; M558-Q561 PolarHBondContact O-N 3.44Å; K559-Q561 VanDerWaalsContact C-N 3.35Å; Q561-I563 VanDerWaalsContact C-N 3.29Å; Q561-I563 HydrophobicContact CB-CD1 3.52Å; Q561-I563 HydrophobicContact CB-CG1 3.63Å; Q561-I563 HydrophobicContact CG-CD1 4.34Å; Q561-I563 PolarHBondContact O-N 2.82Å |
| 562 | R | 80.1 | Confident | 87.2 | Confident | 219 Ų | 219 | 75.7 Ų | 75.7 | 83% | 0.826 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 40.4 | -177.5 | -57.3 | -178.1 | 178.2 | 178.7 | 2.2 | 113.9 | M558 K559 E560 | M558-R562 PolarHBondContact O-N 2.83Å; K559-R562 PolarHBondContact O-N 3.03Å; E560-R562 VanDerWaalsContact C-N 3.26Å; E560-R562 PolarHBondContact O-N 3.22Å |
| 563 | I | 79.3 | Confident | 86.9 | Confident | 64 Ų | 64 | 76.8 Ų | 76.8 | 33% | 0.328 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 148.4 | -179.2 | -56.7 | 176.8 | 0 | 0 | 0 | 109.6 | L501 M558 Q561 | L501-I563 HydrophobicContact CD1-CD1 3.58Å; L501-I563 HydrophobicContact CD1-CG2 4.23Å; L501-I563 HydrophobicContact CD2-CG2 3.88Å; M558-I563 HydrophobicContact CB-CB 4.31Å; M558-I563 HydrophobicContact CE-CB 4.33Å; M558-I563 HydrophobicContact CE-CG2 3.94Å; M558-I563 HydrophobicContact CG-CB 4.49Å; M558-I563 PolarHBondContact O-N 3.28Å; Q561-I563 VanDerWaalsContact C-N 3.29Å; Q561-I563 HydrophobicContact CB-CD1 3.52Å; Q561-I563 HydrophobicContact CB-CG1 3.63Å; Q561-I563 HydrophobicContact CG-CD1 4.34Å; Q561-I563 PolarHBondContact O-N 2.82Å |
| 564 | E | 79.2 | Confident | 86.8 | Confident | 94 Ų | 94 | 75.8 Ų | 75.8 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 145.1 | 178.1 | -69.8 | 179.8 | 174.4 | 0 | 0 | 111.4 | R494 M558 E566 | R494-E564 IonicContact CZ-OE1 2.83Å; R494-E564 IonicContact NE-OE1 2.68Å; R494-E564 IonicContact NH2-OE1 3.97Å; R494-E564 PolarHBondContact NH2-OE1 3.26Å; M558-E564 WeakPolarHBondContact CE-O 3.33Å; E564-E566 PolarHBondContact O-N 3.46Å |
| 565 | P | 85.7 | Confident | 86.6 | Confident | 128 Ų | 128 | 82.3 Ų | 82.3 | 83% | 0.831 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 127.4 | -180 | 25.6 | -33.3 | 0 | 0 | 0 | 111.4 | ||
| 566 | E | 87.1 | Confident | 86.4 | Confident | 36 Ų | 36 | 80.8 Ų | 80.8 | 17% | 0.168 | 38% | 0.381 | C | S | . | . | trans | -113.6 | 159.9 | 176.2 | -69 | -68.7 | 178.1 | 0 | 0 | 111.6 | K498 L501 I543 M558 E564 F568 | K498-E566 WeakPolarHBondContact CD-OE1 3.48Å; K498-E566 WeakPolarHBondContact CE-OE1 3.41Å; K498-E566 IonicContact NZ-OE1 3.49Å; K498-E566 PolarHBondContact NZ-OE1 3.06Å; K498-E566 IonicContact NZ-OE2 3.81Å; L501-E566 HydrophobicContact CD2-CG 4.12Å; I543-E566 HydrophobicContact CD1-CB 4.15Å; I543-E566 HydrophobicContact CD1-CG 4.47Å; M558-E566 HydrophobicContact CE-CB 3.83Å; M558-E566 HydrophobicContact CE-CG 3.67Å; M558-E566 HydrophobicContact SD-CB 4.49Å; E564-E566 PolarHBondContact O-N 3.46Å; E566-F568 HydrophobicContact CB-CE2 4.31Å | ||
| 567 | T | 89.3 | Confident | 86.1 | Confident | 69 Ų | 69 | 84.5 Ų | 84.5 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | trans | -91.8 | 126.5 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | A542 I543 | A542-T567 CarbonylContact C-O 3.47Å; A542-T567 WeakPolarHBondContact CA-O 3.46Å; A542-T567 HydrophobicContact CB-CG2 4.19Å; I543-T567 PolarHBondContact N-O 3.05Å | ||
| 568 | F | 91.1 | Very high | 85.9 | Confident | 25 Ų | 25 | 87.4 Ų | 87.4 | 11% | 0.11 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.5 | 176.3 | -71 | -92.5 | 0 | 0 | 0 | 110.7 | L505 I543 T545 A551 C554 I555 M558 E566 P570 | L505-F568 HydrophobicContact CD1-CE1 4.18Å; L505-F568 HydrophobicContact CD1-CZ 4.01Å; I543-F568 HydrophobicContact CB-CD1 3.86Å; I543-F568 HydrophobicContact CB-CE1 3.89Å; I543-F568 HydrophobicContact CD1-CE1 3.94Å; I543-F568 HydrophobicContact CD1-CZ 3.91Å; I543-F568 HydrophobicContact CG2-CD1 3.94Å; I543-F568 HydrophobicContact CG2-CE1 3.76Å; I543-F568 CarbonylContact O-C 3.53Å; I543-F568 WeakPolarHBondContact O-CA 3.35Å; T545-F568 HydrophobicContact CG2-CD1 3.86Å; T545-F568 HydrophobicContact CG2-CE1 4.4Å; A551-F568 HydrophobicContact CB-CB 3.99Å; A551-F568 HydrophobicContact CB-CD1 4.35Å; A551-F568 HydrophobicContact CB-CG 4.3Å; C554-F568 HydrophobicContact CB-CE1 3.63Å; C554-F568 HydrophobicContact CB-CZ 3.76Å; I555-F568 HydrophobicContact CD1-CD2 3.92Å; I555-F568 HydrophobicContact CD1-CE2 4.35Å; I555-F568 HydrophobicContact CG1-CD2 3.66Å; I555-F568 HydrophobicContact CG1-CE2 3.57Å; I555-F568 HydrophobicContact CG1-CZ 4.35Å; M558-F568 HydrophobicContact SD-CE2 3.7Å; M558-F568 HydrophobicContact SD-CZ 3.56Å; M558-F568 VanDerWaalsContact SD-CZ 3.56Å; E566-F568 HydrophobicContact CB-CE2 4.31Å; F568-P570 WeakPolarHBondContact O-CD 3.5Å |
| 569 | L | 91.2 | Very high | 85.7 | Confident | 11 Ų | 11 | 88.1 Ų | 88.1 | 6% | 0.058 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 90.7 | 175.7 | -67.1 | 177.6 | 0 | 0 | 0 | 109.5 | Y539 A542 I543 T545 L571 I574 A609 F612 | Y539-L569 HydrophobicContact CD1-CD1 4.33Å; Y539-L569 HydrophobicContact CE1-CD2 4.48Å; A542-L569 HydrophobicContact CB-CD1 3.73Å; A542-L569 HydrophobicContact CB-CG 3.98Å; I543-L569 PolarHBondContact O-N 2.86Å; T545-L569 PolarHBondContact N-O 2.71Å; T545-L569 VanDerWaalsContact N-O 3.17Å; L569-L571 PolarHBondContact O-N 3.16Å; L569-I574 HydrophobicContact CB-CD1 4.36Å; L569-I574 HydrophobicContact CD2-CD1 4.12Å; L569-A609 HydrophobicContact CD1-CB 4.36Å; L569-F612 HydrophobicContact CD2-CD1 4.03Å; L569-F612 HydrophobicContact CD2-CE1 3.81Å |
| 570 | P | 92 | Very high | 85.6 | Confident | 21 Ų | 21 | 82.2 Ų | 82.2 | 14% | 0.136 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 121 | 176.9 | 28.5 | -33.6 | 0 | 0 | 0 | 111 | T545 E548 F568 D572 Y573 I574 | T545-P570 WeakPolarHBondContact O-CA 3.23Å; T545-P570 WeakPolarHBondContact OG1-CA 3.33Å; E548-P570 HydrophobicContact CB-CB 4.4Å; F568-P570 WeakPolarHBondContact O-CD 3.5Å; P570-D572 VanDerWaalsContact C-N 3.31Å; P570-D572 WeakPolarHBondContact CB-OD1 3.36Å; P570-D572 PolarHBondContact O-N 3.37Å; P570-Y573 PolarHBondContact O-N 3.24Å; P570-I574 VanDerWaalsContact O-CB 3.31Å; P570-I574 WeakPolarHBondContact O-CB 3.22Å; P570-I574 PolarHBondContact O-N 3.21Å |
| 571 | L | 89.7 | Confident | 85.5 | Confident | 15 Ų | 15 | 81.3 Ų | 81.3 | 8% | 0.079 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27.1 | -173.8 | -67.9 | 176.7 | 0 | 0 | 0 | 113.5 | Y514 I544 T545 D546 L569 Q605 R608 A609 | Y514-L571 HydrophobicContact CD2-CD1 4.05Å; Y514-L571 HydrophobicContact CE2-CD1 3.48Å; Y514-L571 VanDerWaalsContact CE2-CD1 3.48Å; I544-L571 HydrophobicContact CG2-CD1 4.02Å; I544-L571 HydrophobicContact CG2-CD2 3.8Å; I544-L571 HydrophobicContact CG2-CG 3.79Å; T545-L571 WeakPolarHBondContact O-CG 3.44Å; T545-L571 PolarHBondContact O-N 3.49Å; D546-L571 PolarHBondContact O-N 3.42Å; L569-L571 PolarHBondContact O-N 3.16Å; L571-Q605 HydrophobicContact CD1-CB 4.08Å; L571-R608 HydrophobicContact CD2-CB 4.47Å; L571-R608 PolarHBondContact O-NH1 3.24Å; L571-R608 PolarHBondContact O-NH2 3.44Å; L571-A609 HydrophobicContact CD2-CB 4.01Å |
| 572 | D | 88 | Confident | 85.5 | Confident | 79 Ų | 79 | 85.1 Ų | 85.1 | 42% | 0.422 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -44.4 | 174.8 | 63.9 | -18.6 | 0 | 0 | 0 | 112.4 | D546 T547 E548 P570 | D546-D572 PolarHBondContact O-N 3.22Å; D546-D572 VanDerWaalsContact O-N 3.11Å; T547-D572 VanDerWaalsContact CA-CG 3.4Å; T547-D572 VanDerWaalsContact CA-OD1 3.27Å; T547-D572 WeakPolarHBondContact CA-OD1 3.19Å; T547-D572 VanDerWaalsContact CA-OD2 3.28Å; T547-D572 WeakPolarHBondContact CA-OD2 3.01Å; T547-D572 VanDerWaalsContact CB-OD2 3.3Å; T547-D572 WeakPolarHBondContact CB-OD2 3.42Å; E548-D572 PolarHBondContact N-OD1 2.89Å; E548-D572 PolarHBondContact N-OD2 3.4Å; P570-D572 VanDerWaalsContact C-N 3.31Å; P570-D572 WeakPolarHBondContact CB-OD1 3.36Å; P570-D572 PolarHBondContact O-N 3.37Å |
| 573 | Y | 84.8 | Confident | 85.6 | Confident | 165 Ų | 165 | 75.1 Ų | 75.1 | 65% | 0.647 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -9.6 | -169 | -151.7 | -94.7 | 0 | 0 | 0 | 113.8 | E548 P570 D575 | E548-Y573 HydrophobicContact CB-CD2 4.46Å; E548-Y573 HydrophobicContact CB-CG 4.46Å; E548-Y573 HydrophobicContact CG-CG 4.48Å; P570-Y573 PolarHBondContact O-N 3.24Å; Y573-D575 PolarHBondContact O-N 3.48Å |
| 574 | I | 86.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 6% | 0.062 | 38% | 0.375 | C | S | . | . | trans | -69.9 | 115.9 | -178.5 | -160 | 168.8 | 0 | 0 | 0 | 111.7 | L569 P570 V576 R608 F612 | L569-I574 HydrophobicContact CB-CD1 4.36Å; L569-I574 HydrophobicContact CD2-CD1 4.12Å; P570-I574 VanDerWaalsContact O-CB 3.31Å; P570-I574 WeakPolarHBondContact O-CB 3.22Å; P570-I574 PolarHBondContact O-N 3.21Å; I574-V576 HydrophobicContact CG1-CG2 4.24Å; I574-V576 HydrophobicContact CG2-CG2 3.91Å; I574-V576 PolarHBondContact O-N 3.37Å; I574-R608 HydrophobicContact CG2-CB 4.21Å; I574-R608 PolarHBondContact O-NH2 2.79Å; I574-F612 HydrophobicContact CD1-CB 3.54Å; I574-F612 HydrophobicContact CD1-CD1 3.82Å; I574-F612 HydrophobicContact CD1-CD2 4.1Å; I574-F612 HydrophobicContact CD1-CG 3.56Å; I574-F612 HydrophobicContact CG1-CB 4.05Å; I574-F612 HydrophobicContact CG1-CD1 4.4Å; I574-F612 HydrophobicContact CG1-CD2 3.85Å; I574-F612 HydrophobicContact CG1-CE2 4.39Å; I574-F612 HydrophobicContact CG1-CG 3.85Å | ||
| 575 | D | 85.7 | Confident | 86 | Confident | 138 Ų | 138 | 80.5 Ų | 80.5 | 74% | 0.738 | 39% | 0.388 | S | S | * | . | trans | -80.6 | 115 | 173.1 | -176.1 | 22.8 | 0 | 0 | 0 | 110 | Y573 | Y573-D575 PolarHBondContact O-N 3.48Š| ||
| 576 | V | 84.9 | Confident | 85.7 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | trans | -117.7 | 119.4 | -172.9 | -175 | 0 | 0 | 0 | 0 | 109.1 | I574 R608 Q611 F612 | I574-V576 HydrophobicContact CG1-CG2 4.24Å; I574-V576 HydrophobicContact CG2-CG2 3.91Å; I574-V576 PolarHBondContact O-N 3.37Å; V576-R608 HydrophobicContact CG2-CB 4.15Å; V576-R608 WeakPolarHBondContact CG2-O 3.44Å; V576-Q611 HydrophobicContact CG1-CB 3.43Å; V576-Q611 VanDerWaalsContact CG1-CB 3.43Å; V576-Q611 HydrophobicContact CG1-CG 4.47Å; V576-F612 HydrophobicContact CG2-CB 4.39Å | ||
| 577 | R | 82.3 | Confident | 85.2 | Confident | 224 Ų | 224 | 83.2 Ų | 83.2 | 85% | 0.845 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -71 | 134.4 | 169.4 | -63.3 | -176.1 | -175.9 | -166.1 | 0.6 | 109.5 | ||
| 578 | S | 83.1 | Confident | 84.5 | Confident | 105 Ų | 105 | 88.9 Ų | 88.9 | 73% | 0.734 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 140.4 | 174 | 55 | 0 | 0 | 0 | 0 | 110.8 | D580 | S578-D580 PolarHBondContact O-N 3.23Š|
| 579 | I | 82.8 | Confident | 83.9 | Confident | 23 Ų | 23 | 88.9 Ų | 88.9 | 12% | 0.118 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 136.2 | 175.5 | -52.1 | -177.1 | 0 | 0 | 0 | 108.7 | E581 L594 I596 Q611 N616 | I579-E581 PolarHBondContact O-N 3.4Å; I579-E581 VanDerWaalsContact O-N 3.15Å; I579-L594 HydrophobicContact CG2-CD1 3.8Å; I579-L594 HydrophobicContact CG2-CD2 4.3Å; I579-I596 HydrophobicContact CD1-CD1 3.51Å; I579-I596 HydrophobicContact CD1-CG2 3.89Å; I579-Q611 HydrophobicContact CD1-CG 3.93Å; I579-Q611 HydrophobicContact CG1-CG 4.18Å; I579-N616 WeakPolarHBondContact CA-OD1 3.2Å |
| 580 | D | 84.3 | Confident | 83.2 | Confident | 37 Ų | 37 | 98 Ų | 98 | 20% | 0.198 | 44% | 0.443 | C | S | . | . | trans | -78 | 99.8 | 172.3 | -174.7 | 6.2 | 0 | 0 | 0 | 109.8 | S578 R582 L583 N616 | S578-D580 PolarHBondContact O-N 3.23Å; D580-R582 PolarHBondContact O-N 3.37Å; D580-R582 VanDerWaalsContact OD1-CB 3.28Å; D580-R582 WeakPolarHBondContact OD1-CB 3.28Å; D580-R582 WeakPolarHBondContact OD1-CG 3.43Å; D580-R582 PolarHBondContact OD1-N 3.39Å; D580-R582 VanDerWaalsContact OD1-N 3.15Å; D580-L583 HydrophobicContact CB-CD1 3.92Å; D580-L583 HydrophobicContact CB-CG 3.97Å; D580-L583 WeakPolarHBondContact O-CB 3.48Å; D580-L583 WeakPolarHBondContact O-CG 3.33Å; D580-L583 PolarHBondContact O-N 2.94Å; D580-L583 VanDerWaalsContact O-N 3.11Å; D580-N616 VanDerWaalsContact CB-ND2 3.33Å; D580-N616 WeakPolarHBondContact CB-ND2 3.4Å; D580-N616 PolarHBondContact N-ND2 2.95Å; D580-N616 PolarHBondContact N-OD1 2.75Å | ||
| 581 | E | 83.6 | Confident | 82.7 | Confident | 104 Ų | 104 | 101.5 Ų | 101.5 | 49% | 0.486 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -59.6 | -24.4 | -180 | -71.6 | -67.9 | 164.7 | 0 | 0 | 112.7 | I579 L583 R584 | I579-E581 PolarHBondContact O-N 3.4Å; I579-E581 VanDerWaalsContact O-N 3.15Å; E581-L583 PolarHBondContact O-N 3.44Å; E581-L583 VanDerWaalsContact O-N 3.16Å; E581-R584 WeakPolarHBondContact O-CB 3.45Å; E581-R584 PolarHBondContact O-N 2.91Å; E581-R584 VanDerWaalsContact O-N 3.11Å; E581-R584 IonicContact OE1-CZ 3.75Å; E581-R584 IonicContact OE1-NH1 2.96Å; E581-R584 PolarHBondContact OE1-NH1 3.24Å; E581-R584 WeakPolarHBondContact OE2-CD 3.44Å; E581-R584 IonicContact OE2-CZ 3.39Å; E581-R584 IonicContact OE2-NE 2.72Å; E581-R584 IonicContact OE2-NH1 2.62Å; E581-R584 PolarHBondContact OE2-NH1 3.32Å |
| 582 | R | 83.9 | Confident | 82.6 | Confident | 188 Ų | 188 | 101.7 Ų | 101.7 | 71% | 0.709 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -60.9 | -25.9 | 176.2 | -60.6 | 173.9 | -179.4 | 164.9 | 1.2 | 112.4 | D580 R584 E585 | D580-R582 PolarHBondContact O-N 3.37Å; D580-R582 VanDerWaalsContact OD1-CB 3.28Å; D580-R582 WeakPolarHBondContact OD1-CB 3.28Å; D580-R582 WeakPolarHBondContact OD1-CG 3.43Å; D580-R582 PolarHBondContact OD1-N 3.39Å; D580-R582 VanDerWaalsContact OD1-N 3.15Å; R582-R584 PolarHBondContact O-N 3.27Å; R582-E585 WeakPolarHBondContact O-CB 3.42Å; R582-E585 PolarHBondContact O-N 3.02Å; R582-E585 VanDerWaalsContact O-N 3.11Å |
| 583 | L | 83.6 | Confident | 82.6 | Confident | 8 Ų | 8 | 102.6 Ų | 102.6 | 4% | 0.042 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -69.7 | -18.1 | -179.7 | -57.5 | 175.8 | 0 | 0 | 0 | 113.1 | D580 E581 E585 I586 L594 N616 L618 H637 | D580-L583 HydrophobicContact CB-CD1 3.92Å; D580-L583 HydrophobicContact CB-CG 3.97Å; D580-L583 WeakPolarHBondContact O-CB 3.48Å; D580-L583 WeakPolarHBondContact O-CG 3.33Å; D580-L583 PolarHBondContact O-N 2.94Å; D580-L583 VanDerWaalsContact O-N 3.11Å; E581-L583 PolarHBondContact O-N 3.44Å; E581-L583 VanDerWaalsContact O-N 3.16Å; L583-E585 PolarHBondContact O-N 2.91Å; L583-I586 HydrophobicContact CB-CD1 4.37Å; L583-I586 HydrophobicContact CD2-CD1 3.96Å; L583-L594 HydrophobicContact CB-CD2 4.17Å; L583-L594 HydrophobicContact CD1-CD2 4.16Å; L583-N616 HydrophobicContact CD1-CB 3.59Å; L583-L618 HydrophobicContact CB-CD2 4.05Å; L583-L618 HydrophobicContact CD2-CD1 4.48Å; L583-H637 VanDerWaalsContact CD2-CE1 3.46Å; L583-H637 WeakPolarHBondContact CD2-CE1 3.18Å |
| 584 | R | 84.7 | Confident | 82.9 | Confident | 118 Ų | 118 | 94.8 Ų | 94.8 | 45% | 0.445 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -72.3 | -19.1 | 172.4 | -68 | -174.6 | 168.8 | 146.7 | -1.2 | 112.8 | E581 R582 I586 L594 D597 | E581-R584 WeakPolarHBondContact O-CB 3.45Å; E581-R584 PolarHBondContact O-N 2.91Å; E581-R584 VanDerWaalsContact O-N 3.11Å; E581-R584 IonicContact OE1-CZ 3.75Å; E581-R584 IonicContact OE1-NH1 2.96Å; E581-R584 PolarHBondContact OE1-NH1 3.24Å; E581-R584 WeakPolarHBondContact OE2-CD 3.44Å; E581-R584 IonicContact OE2-CZ 3.39Å; E581-R584 IonicContact OE2-NE 2.72Å; E581-R584 IonicContact OE2-NH1 2.62Å; E581-R584 PolarHBondContact OE2-NH1 3.32Å; R582-R584 PolarHBondContact O-N 3.27Å; R584-I586 VanDerWaalsContact C-N 3.34Å; R584-L594 HydrophobicContact CG-CD1 3.51Å; R584-L594 HydrophobicContact CG-CG 4.42Å; R584-D597 IonicContact CZ-OD1 3.65Å; R584-D597 IonicContact CZ-OD2 3.68Å; R584-D597 IonicContact NE-OD1 3.73Å; R584-D597 IonicContact NE-OD2 3.68Å; R584-D597 PolarHBondContact NE-OD2 3.43Å; R584-D597 IonicContact NH2-OD1 2.78Å; R584-D597 PolarHBondContact NH2-OD1 3.46Å; R584-D597 IonicContact NH2-OD2 3.53Å |
| 585 | E | 81.1 | Confident | 83.1 | Confident | 153 Ų | 153 | 94.3 Ų | 94.3 | 72% | 0.715 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -86.7 | -3.8 | -177.4 | -58 | -177.1 | 170.7 | 0 | 0 | 113.3 | R582 L583 K587 | R582-E585 WeakPolarHBondContact O-CB 3.42Å; R582-E585 PolarHBondContact O-N 3.02Å; R582-E585 VanDerWaalsContact O-N 3.11Å; L583-E585 PolarHBondContact O-N 2.91Å; E585-K587 PolarHBondContact O-N 3.2Å |
| 586 | I | 80.7 | Confident | 83.3 | Confident | 40 Ų | 40 | 88.3 Ų | 88.3 | 21% | 0.205 | 40% | 0.397 | C | S | . | . | trans | -66.5 | 103 | -179.9 | -61.3 | 174.6 | 0 | 0 | 0 | 109.8 | L583 R584 K588 V592 L618 L629 | L583-I586 HydrophobicContact CB-CD1 4.37Å; L583-I586 HydrophobicContact CD2-CD1 3.96Å; R584-I586 VanDerWaalsContact C-N 3.34Å; I586-K588 WeakPolarHBondContact CG2-O 3.41Å; I586-V592 HydrophobicContact CG2-CB 4.35Å; I586-V592 HydrophobicContact CG2-CG1 4.34Å; I586-V592 HydrophobicContact CG2-CG2 4.35Å; I586-L618 HydrophobicContact CD1-CD1 3.82Å; I586-L629 HydrophobicContact CD1-CD2 4.27Å; I586-L629 HydrophobicContact CG2-CD2 3.9Å | ||
| 587 | K | 76.3 | Confident | 83.5 | Confident | 181 Ų | 181 | 90.4 Ų | 90.4 | 79% | 0.787 | 41% | 0.407 | S | S | * | . | trans | -91.9 | -17.2 | 178.5 | -68.5 | -179.9 | -176.4 | 177.6 | 0 | 114.3 | E585 P589 | E585-K587 PolarHBondContact O-N 3.2Å; K587-P589 CarbonylContact C-O 3.4Å | ||
| 588 | K | 75 | Confident | 83.8 | Confident | 189 Ų | 189 | 80 Ų | 80 | 82% | 0.822 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -131.5 | 124.9 | -179.7 | -71.7 | -174.6 | 179.3 | -179.4 | 0 | 109 | I586 | I586-K588 WeakPolarHBondContact CG2-O 3.41Š|
| 589 | P | 76.9 | Confident | 84.1 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 16% | 0.156 | 34% | 0.336 | C | S | . | . | S | Bend | cis | -61.3 | 167 | -6.6 | 24.5 | -32.7 | 0 | 0 | 0 | 113.9 | K587 V592 D625 L629 | K587-P589 CarbonylContact C-O 3.4Å; P589-V592 HydrophobicContact CG-CG2 3.82Å; P589-V592 VanDerWaalsContact O-CG2 3.26Å; P589-V592 WeakPolarHBondContact O-CG2 3.38Å; P589-D625 HydrophobicContact CB-CB 3.8Å; P589-D625 WeakPolarHBondContact CB-OD1 3.32Å; P589-D625 HydrophobicContact CG-CB 3.69Å; P589-L629 HydrophobicContact CG-CD1 3.38Å; P589-L629 HydrophobicContact CG-CG 3.89Å |
| 590 | R | 77.7 | Confident | 84.5 | Confident | 204 Ų | 204 | 79.6 Ų | 79.6 | 77% | 0.77 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 154.4 | -178.2 | -73.3 | -176.7 | 174.7 | -178.4 | -0.8 | 110.7 | V592 | R590-V592 VanDerWaalsContact C-N 3.27Å; R590-V592 PolarHBondContact O-N 2.97Å |
| 591 | N | 81.8 | Confident | 84.7 | Confident | 94 Ų | 94 | 81.1 Ų | 81.1 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 26 | 170.9 | -61.1 | -26.5 | 0 | 0 | 0 | 115.9 | E621 | N591-E621 VanDerWaalsContact CB-CD 3.48Å; N591-E621 HydrophobicContact CB-CG 3.78Å; N591-E621 PolarHBondContact ND2-OE1 3.31Å; N591-E621 PolarHBondContact ND2-OE2 3.19Å |
| 592 | V | 86.2 | Confident | 84.7 | Confident | 19 Ų | 19 | 83 Ų | 83 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | trans | -75.3 | 128.7 | 172 | -176.7 | 0 | 0 | 0 | 0 | 109 | I586 P589 R590 L618 V619 L629 | I586-V592 HydrophobicContact CG2-CB 4.35Å; I586-V592 HydrophobicContact CG2-CG1 4.34Å; I586-V592 HydrophobicContact CG2-CG2 4.35Å; P589-V592 HydrophobicContact CG-CG2 3.82Å; P589-V592 VanDerWaalsContact O-CG2 3.26Å; P589-V592 WeakPolarHBondContact O-CG2 3.38Å; R590-V592 VanDerWaalsContact C-N 3.27Å; R590-V592 PolarHBondContact O-N 2.97Å; V592-L618 HydrophobicContact CG1-CB 4.03Å; V592-L618 HydrophobicContact CG1-CD1 4.2Å; V592-L618 HydrophobicContact CG1-CD2 4Å; V592-L618 HydrophobicContact CG1-CG 4.3Å; V592-V619 WeakPolarHBondContact CA-O 3.34Å; V592-L629 HydrophobicContact CB-CD1 4.48Å; V592-L629 HydrophobicContact CG1-CD1 4.06Å; V592-L629 HydrophobicContact CG2-CD1 3.55Å | ||
| 593 | K | 89.4 | Confident | 84.8 | Confident | 97 Ų | 97 | 76 Ų | 76 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.5 | 177.6 | -61 | -178.4 | -178.7 | 179.2 | 0 | 110.2 | Y528 V598 L618 V619 | Y528-K593 PolarHBondContact OH-NZ 3.1Å; K593-V598 HydrophobicContact CB-CG2 4Å; K593-V598 HydrophobicContact CD-CG2 4.1Å; K593-L618 CarbonylContact O-C 3.57Å; K593-L618 WeakPolarHBondContact O-CA 3.32Å; K593-V619 HydrophobicContact CB-CG1 3.88Å; K593-V619 PolarHBondContact N-O 2.91Å; K593-V619 VanDerWaalsContact N-O 3.13Å; K593-V619 WeakPolarHBondContact O-CG1 3.45Å; K593-V619 PolarHBondContact O-N 3.4Å |
| 594 | L | 91 | Very high | 84.9 | Confident | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.01 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 138.8 | 166.6 | -75.6 | 162.6 | 0 | 0 | 0 | 109.4 | I579 L583 R584 I596 D597 L618 | I579-L594 HydrophobicContact CG2-CD1 3.8Å; I579-L594 HydrophobicContact CG2-CD2 4.3Å; L583-L594 HydrophobicContact CB-CD2 4.17Å; L583-L594 HydrophobicContact CD1-CD2 4.16Å; R584-L594 HydrophobicContact CG-CD1 3.51Å; R584-L594 HydrophobicContact CG-CG 4.42Å; L594-I596 HydrophobicContact CB-CG2 4.07Å; L594-I596 PolarHBondContact O-N 3.15Å; L594-D597 PolarHBondContact O-N 2.89Å; L594-L618 HydrophobicContact CD2-CD2 3.75Å; L594-L618 HydrophobicContact CG-CD2 4.03Å |
| 595 | V | 90.6 | Very high | 84.9 | Confident | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -59.3 | -33.9 | 179.8 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | V532 V535 D597 V598 V599 C614 A617 V619 V640 | V532-V595 HydrophobicContact CG2-CG1 4.36Å; V535-V595 HydrophobicContact CB-CG1 4.26Å; V535-V595 HydrophobicContact CG1-CB 4.5Å; V535-V595 HydrophobicContact CG1-CG1 4.05Å; V535-V595 HydrophobicContact CG1-CG2 4.42Å; V535-V595 HydrophobicContact CG2-CG1 4.37Å; V535-V595 HydrophobicContact CG2-CG2 3.93Å; V595-D597 PolarHBondContact O-N 2.9Å; V595-V598 PolarHBondContact O-N 3.38Å; V595-V598 VanDerWaalsContact O-N 3.08Å; V595-V599 HydrophobicContact CG1-CG2 4.43Å; V595-V599 WeakPolarHBondContact O-CG2 3.22Å; V595-V599 PolarHBondContact O-N 2.93Å; V595-C614 HydrophobicContact CG1-CB 4.49Å; V595-A617 HydrophobicContact CB-CB 4.29Å; V595-A617 HydrophobicContact CG2-CB 3.79Å; V595-A617 WeakPolarHBondContact CG2-O 3.4Å; V595-A617 PolarHBondContact N-O 2.91Å; V595-V619 HydrophobicContact CG2-CB 4.3Å; V595-V640 HydrophobicContact CG2-CG1 4.11Å |
| 596 | I | 89.1 | Confident | 85.2 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -61.9 | -30.6 | 177.7 | -157.6 | 174.3 | 0 | 0 | 0 | 113.1 | I579 L594 V598 Q611 | I579-I596 HydrophobicContact CD1-CD1 3.51Å; I579-I596 HydrophobicContact CD1-CG2 3.89Å; L594-I596 HydrophobicContact CB-CG2 4.07Å; L594-I596 PolarHBondContact O-N 3.15Å; I596-V598 PolarHBondContact O-N 3.3Å; I596-Q611 HydrophobicContact CD1-CG 3.52Å |
| 597 | D | 89.1 | Confident | 85.6 | Confident | 75 Ų | 75 | 73.9 Ų | 73.9 | 40% | 0.401 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -79.8 | -7.8 | -179.1 | -63 | -23.2 | 0 | 0 | 0 | 111.6 | R584 L594 V595 | R584-D597 IonicContact CZ-OD1 3.65Å; R584-D597 IonicContact CZ-OD2 3.68Å; R584-D597 IonicContact NE-OD1 3.73Å; R584-D597 IonicContact NE-OD2 3.68Å; R584-D597 PolarHBondContact NE-OD2 3.43Å; R584-D597 IonicContact NH2-OD1 2.78Å; R584-D597 PolarHBondContact NH2-OD1 3.46Å; R584-D597 IonicContact NH2-OD2 3.53Å; L594-D597 PolarHBondContact O-N 2.89Å; V595-D597 PolarHBondContact O-N 2.9Å |
| 598 | V | 89.8 | Confident | 86.2 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -108.3 | 0.9 | -177.4 | -175 | 0 | 0 | 0 | 0 | 111.5 | V524 Y528 K593 V595 I596 V619 | V524-V598 WeakPolarHBondContact CG2-O 3.18Å; V524-V598 PolarHBondContact N-O 3.49Å; Y528-V598 VanDerWaalsContact CB-CG1 3.46Å; Y528-V598 HydrophobicContact CD1-CG1 3.67Å; Y528-V598 HydrophobicContact CD2-CG1 3.13Å; Y528-V598 HydrophobicContact CE1-CG1 4.11Å; Y528-V598 HydrophobicContact CE2-CG1 3.64Å; Y528-V598 HydrophobicContact CG-CG1 3.14Å; K593-V598 HydrophobicContact CB-CG2 4Å; K593-V598 HydrophobicContact CD-CG2 4.1Å; V595-V598 PolarHBondContact O-N 3.38Å; V595-V598 VanDerWaalsContact O-N 3.08Å; I596-V598 PolarHBondContact O-N 3.3Å; V598-V619 HydrophobicContact CG2-CG1 4.06Å |
| 599 | V | 89.2 | Confident | 86.9 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.4 | 178.6 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | C521 V532 V595 L610 | C521-V599 HydrophobicContact CB-CG1 3.65Å; V532-V599 HydrophobicContact CB-CG2 4.45Å; V532-V599 HydrophobicContact CG1-CG2 3.68Å; V532-V599 HydrophobicContact CG2-CG2 3.83Å; V595-V599 HydrophobicContact CG1-CG2 4.43Å; V595-V599 WeakPolarHBondContact O-CG2 3.22Å; V595-V599 PolarHBondContact O-N 2.93Å; V599-L610 HydrophobicContact CG1-CD2 4.26Å |
| 600 | H | 90.3 | Very high | 87.5 | Confident | 111 Ų | 111 | 60.2 Ų | 60.2 | 51% | 0.514 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 142.7 | 166.2 | -174.6 | 62.5 | 0 | 0 | 0 | 109.3 | C521 Q522 V524 | C521-H600 CarbonylContact C-O 3.52Å; C521-H600 WeakPolarHBondContact CA-O 3.48Å; C521-H600 WeakPolarHBondContact CB-O 3.4Å; Q522-H600 PolarHBondContact N-O 3.04Å; Q522-H600 PolarHBondContact O-N 3.29Å; V524-H600 HydrophobicContact CG2-CB 4.23Å |
| 601 | Y | 88 | Confident | 88.1 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 28% | 0.275 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 139.8 | -174.9 | 59 | -96.5 | 0 | 0 | 0 | 112.7 | L520 I606 K607 L610 | L520-Y601 WeakPolarHBondContact O-CA 3.24Å; Y601-I606 HydrophobicContact CD2-CG1 4.23Å; Y601-K607 HydrophobicContact CE2-CB 3.94Å; Y601-K607 HydrophobicContact CE2-CG 4.33Å; Y601-L610 HydrophobicContact CD1-CD1 3.66Å; Y601-L610 HydrophobicContact CD2-CD1 4.2Å; Y601-L610 HydrophobicContact CG-CD1 3.45Å; Y601-L610 VanDerWaalsContact CG-CD1 3.45Å |
| 602 | E | 85 | Confident | 88.5 | Confident | 143 Ų | 143 | 51.6 Ų | 51.6 | 67% | 0.668 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -149.5 | 125.9 | -179.8 | -166.7 | 171.9 | -162.7 | 0 | 0 | 108.5 | L520 | L520-E602 PolarHBondContact O-N 3.36Š|
| 603 | P | 84.6 | Confident | 88.6 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | S | Bend | cis | -91.1 | 165 | 8.3 | 37.6 | -37.6 | 0 | 0 | 0 | 114.4 | Y514 Q605 I606 | Y514-P603 HydrophobicContact CD1-CG 3.78Å; Y514-P603 HydrophobicContact CE1-CG 3.95Å; P603-Q605 VanDerWaalsContact CB-OE1 3.32Å; P603-Q605 PolarHBondContact O-N 3.44Å; P603-I606 HydrophobicContact CG-CG2 4.15Å; P603-I606 VanDerWaalsContact O-CG1 3.26Å; P603-I606 WeakPolarHBondContact O-CG1 3.49Å; P603-I606 PolarHBondContact O-N 3.05Å; P603-I606 VanDerWaalsContact O-N 3.09Å |
| 604 | A | 85.6 | Confident | 88.5 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 61% | 0.612 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -57.5 | -25.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | I606 K607 | A604-I606 PolarHBondContact O-N 3.49Å; A604-K607 VanDerWaalsContact O-CB 3.3Å; A604-K607 WeakPolarHBondContact O-CB 3.45Å; A604-K607 PolarHBondContact O-N 3.29Å |
| 605 | Q | 85.1 | Confident | 88.3 | Confident | 106 Ų | 106 | 47.7 Ų | 47.7 | 50% | 0.495 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -62.3 | -26.5 | 178.8 | -62.1 | 84.2 | -8.7 | 0 | 0 | 112.6 | L571 P603 K607 | L571-Q605 HydrophobicContact CD1-CB 4.08Å; P603-Q605 VanDerWaalsContact CB-OE1 3.32Å; P603-Q605 PolarHBondContact O-N 3.44Å; Q605-K607 PolarHBondContact O-N 3.13Å |
| 606 | I | 88.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -74.7 | -7.1 | -178 | 81.5 | -174.3 | 0 | 0 | 0 | 113.1 | L520 I544 Y601 P603 A604 R608 A609 L610 | L520-I606 HydrophobicContact CB-CD1 3.52Å; L520-I606 HydrophobicContact CD1-CG2 4.33Å; L520-I606 WeakPolarHBondContact O-CD1 3.29Å; I544-I606 HydrophobicContact CD1-CB 4.03Å; I544-I606 HydrophobicContact CD1-CG2 3.99Å; Y601-I606 HydrophobicContact CD2-CG1 4.23Å; P603-I606 HydrophobicContact CG-CG2 4.15Å; P603-I606 VanDerWaalsContact O-CG1 3.26Å; P603-I606 WeakPolarHBondContact O-CG1 3.49Å; P603-I606 PolarHBondContact O-N 3.05Å; P603-I606 VanDerWaalsContact O-N 3.09Å; A604-I606 PolarHBondContact O-N 3.49Å; I606-R608 PolarHBondContact O-N 3.25Å; I606-R608 VanDerWaalsContact O-N 3.16Å; I606-A609 WeakPolarHBondContact O-CA 2.81Å; I606-A609 WeakPolarHBondContact O-CB 3.4Å; I606-A609 PolarHBondContact O-N 3.45Å; I606-L610 HydrophobicContact CD1-CD1 4.3Å; I606-L610 HydrophobicContact CG1-CD1 3.99Å; I606-L610 PolarHBondContact O-N 2.89Å |
| 607 | K | 89.1 | Confident | 88.3 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -51.2 | -39.4 | 177.2 | -176.5 | 179.3 | 179.2 | 179.4 | 0 | 112 | Y601 A604 Q605 L610 Q611 | Y601-K607 HydrophobicContact CE2-CB 3.94Å; Y601-K607 HydrophobicContact CE2-CG 4.33Å; A604-K607 VanDerWaalsContact O-CB 3.3Å; A604-K607 WeakPolarHBondContact O-CB 3.45Å; A604-K607 PolarHBondContact O-N 3.29Å; Q605-K607 PolarHBondContact O-N 3.13Å; K607-L610 PolarHBondContact O-N 3.43Å; K607-Q611 WeakPolarHBondContact O-CB 3.44Å; K607-Q611 VanDerWaalsContact O-CG 3.26Å; K607-Q611 WeakPolarHBondContact O-CG 3.37Å; K607-Q611 PolarHBondContact O-N 3.25Å |
| 608 | R | 89 | Confident | 88.4 | Confident | 105 Ų | 105 | 45.1 Ų | 45.1 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63 | -43.6 | 176.3 | -71.8 | -176.5 | 68.3 | -173.2 | -3.9 | 112.2 | L571 I574 V576 I606 Q611 F612 | L571-R608 HydrophobicContact CD2-CB 4.47Å; L571-R608 PolarHBondContact O-NH1 3.24Å; L571-R608 PolarHBondContact O-NH2 3.44Å; I574-R608 HydrophobicContact CG2-CB 4.21Å; I574-R608 PolarHBondContact O-NH2 2.79Å; V576-R608 HydrophobicContact CG2-CB 4.15Å; V576-R608 WeakPolarHBondContact CG2-O 3.44Å; I606-R608 PolarHBondContact O-N 3.25Å; I606-R608 VanDerWaalsContact O-N 3.16Å; R608-Q611 PolarHBondContact O-N 3.45Å; R608-F612 PolarHBondContact O-N 2.84Å |
| 609 | A | 89.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66 | -39.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I544 L569 L571 I606 F612 A613 | I544-A609 HydrophobicContact CD1-CB 4.07Å; I544-A609 HydrophobicContact CG1-CB 4.45Å; L569-A609 HydrophobicContact CD1-CB 4.36Å; L571-A609 HydrophobicContact CD2-CB 4.01Å; I606-A609 WeakPolarHBondContact O-CA 2.81Å; I606-A609 WeakPolarHBondContact O-CB 3.4Å; I606-A609 PolarHBondContact O-N 3.45Å; A609-F612 WeakPolarHBondContact O-CB 3.31Å; A609-F612 PolarHBondContact O-N 3.26Å; A609-A613 WeakPolarHBondContact O-CB 3.44Å; A609-A613 PolarHBondContact O-N 3.19Å |
| 610 | L | 89.4 | Confident | 88.5 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 174.4 | -78 | 167.7 | 0 | 0 | 0 | 112.6 | L517 C521 V599 Y601 I606 K607 F612 A613 C614 | L517-L610 HydrophobicContact CD1-CD2 3.84Å; L517-L610 HydrophobicContact CD1-CG 4.09Å; L517-L610 HydrophobicContact CD2-CD2 4.36Å; L517-L610 HydrophobicContact CG-CD2 4.32Å; C521-L610 HydrophobicContact CB-CD1 4.37Å; C521-L610 HydrophobicContact CB-CD2 4.23Å; V599-L610 HydrophobicContact CG1-CD2 4.26Å; Y601-L610 HydrophobicContact CD1-CD1 3.66Å; Y601-L610 HydrophobicContact CD2-CD1 4.2Å; Y601-L610 HydrophobicContact CG-CD1 3.45Å; Y601-L610 VanDerWaalsContact CG-CD1 3.45Å; I606-L610 HydrophobicContact CD1-CD1 4.3Å; I606-L610 HydrophobicContact CG1-CD1 3.99Å; I606-L610 PolarHBondContact O-N 2.89Å; K607-L610 PolarHBondContact O-N 3.43Å; L610-F612 VanDerWaalsContact C-N 3.28Å; L610-F612 PolarHBondContact O-N 2.99Å; L610-A613 PolarHBondContact O-N 3.37Å; L610-C614 WeakPolarHBondContact O-CB 3.28Å; L610-C614 PolarHBondContact O-N 3.37Å |
| 611 | Q | 90 | Very high | 88.4 | Confident | 40 Ų | 40 | 42.7 Ų | 42.7 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60 | -40.3 | 173.8 | -77.7 | 178.3 | -22.9 | 0 | 0 | 111.7 | V576 I579 I596 K607 R608 G615 | V576-Q611 HydrophobicContact CG1-CB 3.43Å; V576-Q611 VanDerWaalsContact CG1-CB 3.43Å; V576-Q611 HydrophobicContact CG1-CG 4.47Å; I579-Q611 HydrophobicContact CD1-CG 3.93Å; I579-Q611 HydrophobicContact CG1-CG 4.18Å; I596-Q611 HydrophobicContact CD1-CG 3.52Å; K607-Q611 WeakPolarHBondContact O-CB 3.44Å; K607-Q611 VanDerWaalsContact O-CG 3.26Å; K607-Q611 WeakPolarHBondContact O-CG 3.37Å; K607-Q611 PolarHBondContact O-N 3.25Å; R608-Q611 PolarHBondContact O-N 3.45Å; Q611-G615 VanDerWaalsContact O-CA 3.26Å; Q611-G615 WeakPolarHBondContact O-CA 3.48Å; Q611-G615 PolarHBondContact O-N 2.83Å |
| 612 | F | 90.3 | Very high | 88.4 | Confident | 77 Ų | 77 | 42.3 Ų | 42.3 | 34% | 0.338 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.1 | -46.7 | 174.1 | 178.8 | -98.5 | 0 | 0 | 0 | 112.6 | Y539 L569 I574 V576 R608 A609 L610 | Y539-F612 HydrophobicContact CD1-CE1 4.48Å; Y539-F612 HydrophobicContact CE1-CD1 4.34Å; Y539-F612 AromaticContact CE1-CE1 3.65Å; Y539-F612 HydrophobicContact CE1-CE1 3.65Å; Y539-F612 AromaticContact CZ-CE1 3.71Å; L569-F612 HydrophobicContact CD2-CD1 4.03Å; L569-F612 HydrophobicContact CD2-CE1 3.81Å; I574-F612 HydrophobicContact CD1-CB 3.54Å; I574-F612 HydrophobicContact CD1-CD1 3.82Å; I574-F612 HydrophobicContact CD1-CD2 4.1Å; I574-F612 HydrophobicContact CD1-CG 3.56Å; I574-F612 HydrophobicContact CG1-CB 4.05Å; I574-F612 HydrophobicContact CG1-CD1 4.4Å; I574-F612 HydrophobicContact CG1-CD2 3.85Å; I574-F612 HydrophobicContact CG1-CE2 4.39Å; I574-F612 HydrophobicContact CG1-CG 3.85Å; V576-F612 HydrophobicContact CG2-CB 4.39Å; R608-F612 PolarHBondContact O-N 2.84Å; A609-F612 WeakPolarHBondContact O-CB 3.31Å; A609-F612 PolarHBondContact O-N 3.26Å; L610-F612 VanDerWaalsContact C-N 3.28Å; L610-F612 PolarHBondContact O-N 2.99Å |
| 613 | A | 88.8 | Confident | 88.6 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.5 | -45.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L517 L536 Y539 A609 L610 | L517-A613 HydrophobicContact CD2-CB 4.13Å; L536-A613 HydrophobicContact CD2-CB 3.88Å; Y539-A613 HydrophobicContact CD2-CB 4.12Å; Y539-A613 HydrophobicContact CG-CB 4.16Å; A609-A613 WeakPolarHBondContact O-CB 3.44Å; A609-A613 PolarHBondContact O-N 3.19Å; L610-A613 PolarHBondContact O-N 3.37Å |
| 614 | C | 87.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -78 | -43.6 | -179.1 | -64.1 | 0 | 0 | 0 | 0 | 112 | V535 V595 L610 A617 | V535-C614 HydrophobicContact CG1-CB 4.44Å; V595-C614 HydrophobicContact CG1-CB 4.49Å; L610-C614 WeakPolarHBondContact O-CB 3.28Å; L610-C614 PolarHBondContact O-N 3.37Å; C614-A617 WeakPolarHBondContact O-CB 3.46Å; C614-A617 PolarHBondContact O-N 3.18Å |
| 615 | G | 86.1 | Confident | 88.8 | Confident | 31 Ų | 31 | 42 Ų | 42 | 32% | 0.32 | 21% | 0.209 | S | C | . | . | S | Bend | trans | 55.8 | -148.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q611 A617 | Q611-G615 VanDerWaalsContact O-CA 3.26Å; Q611-G615 WeakPolarHBondContact O-CA 3.48Å; Q611-G615 PolarHBondContact O-N 2.83Å; G615-A617 PolarHBondContact O-N 2.69Å; G615-A617 VanDerWaalsContact O-N 3.07Å |
| 616 | N | 89.1 | Confident | 88.9 | Confident | 35 Ų | 35 | 36.9 Ų | 36.9 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -83.7 | 41.7 | 175 | -69 | -4.2 | 0 | 0 | 0 | 112.3 | I579 D580 L583 | I579-N616 WeakPolarHBondContact CA-OD1 3.2Å; D580-N616 VanDerWaalsContact CB-ND2 3.33Å; D580-N616 WeakPolarHBondContact CB-ND2 3.4Å; D580-N616 PolarHBondContact N-ND2 2.95Å; D580-N616 PolarHBondContact N-OD1 2.75Å; L583-N616 HydrophobicContact CD1-CB 3.59Å |
| 617 | A | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 132.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V535 V595 C614 G615 K638 | V535-A617 HydrophobicContact CG1-CB 3.87Å; V535-A617 HydrophobicContact CG2-CB 4.39Å; V595-A617 HydrophobicContact CB-CB 4.29Å; V595-A617 HydrophobicContact CG2-CB 3.79Å; V595-A617 WeakPolarHBondContact CG2-O 3.4Å; V595-A617 PolarHBondContact N-O 2.91Å; C614-A617 WeakPolarHBondContact O-CB 3.46Å; C614-A617 PolarHBondContact O-N 3.18Å; G615-A617 PolarHBondContact O-N 2.69Å; G615-A617 VanDerWaalsContact O-N 3.07Å; A617-K638 CarbonylContact C-O 3.4Å; A617-K638 WeakPolarHBondContact CA-O 3.49Å; A617-K638 HydrophobicContact CB-CD 4.04Å; A617-K638 HydrophobicContact CB-CG 4.21Å |
| 618 | L | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137.2 | 176.9 | -63.8 | 167.8 | 0 | 0 | 0 | 110.4 | L583 I586 V592 K593 L594 H637 K638 T639 V640 | L583-L618 HydrophobicContact CB-CD2 4.05Å; L583-L618 HydrophobicContact CD2-CD1 4.48Å; I586-L618 HydrophobicContact CD1-CD1 3.82Å; V592-L618 HydrophobicContact CG1-CB 4.03Å; V592-L618 HydrophobicContact CG1-CD1 4.2Å; V592-L618 HydrophobicContact CG1-CD2 4Å; V592-L618 HydrophobicContact CG1-CG 4.3Å; K593-L618 CarbonylContact O-C 3.57Å; K593-L618 WeakPolarHBondContact O-CA 3.32Å; L594-L618 HydrophobicContact CD2-CD2 3.75Å; L594-L618 HydrophobicContact CG-CD2 4.03Å; L618-H637 HydrophobicContact CD1-CB 4.12Å; L618-K638 PolarHBondContact N-O 2.82Å; L618-T639 HydrophobicContact CB-CG2 4.21Å; L618-T639 HydrophobicContact CD1-CG2 4.43Å; L618-T639 CarbonylContact O-C 3.59Å; L618-T639 VanDerWaalsContact O-CA 3.31Å; L618-T639 WeakPolarHBondContact O-CA 3.38Å; L618-V640 WeakPolarHBondContact O-CG1 3.3Å; L618-V640 PolarHBondContact O-N 3.32Å |
| 619 | V | 91.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.024 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.7 | 169.8 | 63 | 0 | 0 | 0 | 0 | 110.1 | Y528 A531 V592 K593 V595 V598 V640 L642 | Y528-V619 HydrophobicContact CD1-CG2 4.19Å; Y528-V619 HydrophobicContact CE1-CG1 4.47Å; A531-V619 HydrophobicContact CB-CG2 3.85Å; V592-V619 WeakPolarHBondContact CA-O 3.34Å; K593-V619 HydrophobicContact CB-CG1 3.88Å; K593-V619 PolarHBondContact N-O 2.91Å; K593-V619 VanDerWaalsContact N-O 3.13Å; K593-V619 WeakPolarHBondContact O-CG1 3.45Å; K593-V619 PolarHBondContact O-N 3.4Å; V595-V619 HydrophobicContact CG2-CB 4.3Å; V598-V619 HydrophobicContact CG2-CG1 4.06Å; V619-V640 CarbonylContact C-O 3.37Å; V619-V640 VanDerWaalsContact CA-O 3.3Å; V619-V640 WeakPolarHBondContact CA-O 3.27Å; V619-V640 HydrophobicContact CB-CG1 4.04Å; V619-V640 HydrophobicContact CG2-CG1 4.21Å; V619-L642 HydrophobicContact CG2-CD2 4.05Å |
| 620 | C | 90 | Very high | 88.1 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 156.7 | 176.5 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | D625 A626 L629 V640 S641 L642 | C620-D625 HydrophobicContact CB-CB 3.99Å; C620-A626 HydrophobicContact CB-CB 3.96Å; C620-L629 WeakPolarHBondContact SG-CD1 3.37Å; C620-V640 PolarHBondContact N-O 3.24Å; C620-S641 WeakPolarHBondContact O-CA 3.05Å; C620-L642 PolarHBondContact O-N 2.96Å |
| 621 | E | 88.1 | Confident | 87.8 | Confident | 67 Ų | 67 | 43.9 Ų | 43.9 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -73.3 | -45.1 | -179.3 | -67.1 | -168.8 | 144.2 | 0 | 0 | 112.6 | R527 N591 L642 | R527-E621 IonicContact CZ-OE1 3.75Å; R527-E621 IonicContact NH1-OE1 2.93Å; R527-E621 IonicContact NH2-OE1 3.64Å; R527-E621 PolarHBondContact NH2-OE1 3.25Å; N591-E621 VanDerWaalsContact CB-CD 3.48Å; N591-E621 HydrophobicContact CB-CG 3.78Å; N591-E621 PolarHBondContact ND2-OE1 3.31Å; N591-E621 PolarHBondContact ND2-OE2 3.19Å; E621-L642 HydrophobicContact CB-CD1 4.2Å; E621-L642 HydrophobicContact CG-CD1 4.25Å |
| 622 | T | 88.5 | Confident | 86.7 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -111.2 | 156.8 | -177.5 | 73 | 0 | 0 | 0 | 0 | 112.1 | E624 D625 A626 | T622-E624 PolarHBondContact O-N 3.41Å; T622-D625 PolarHBondContact O-N 3.38Å; T622-D625 VanDerWaalsContact OG1-CB 3.32Å; T622-D625 WeakPolarHBondContact OG1-CB 3.4Å; T622-D625 PolarHBondContact OG1-N 3.37Å; T622-D625 PolarHBondContact OG1-OD2 3.16Å; T622-A626 PolarHBondContact O-N 3.27Å |
| 623 | V | 87.7 | Confident | 85.2 | Confident | 56 Ų | 56 | 51.9 Ų | 51.9 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | 173.7 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | A626 R627 D643 T645 F647 | V623-A626 PolarHBondContact O-N 3.43Å; V623-R627 WeakPolarHBondContact O-CB 3.47Å; V623-R627 PolarHBondContact O-N 3.49Å; V623-D643 WeakPolarHBondContact CG2-OD2 3.18Å; V623-T645 HydrophobicContact CG1-CG2 4.22Å; V623-F647 HydrophobicContact CG1-CE2 4.26Å; V623-F647 HydrophobicContact CG1-CZ 4.06Å |
| 624 | E | 86.7 | Confident | 84.3 | Confident | 152 Ų | 152 | 55.1 Ų | 55.1 | 71% | 0.71 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.4 | -46.7 | 177.6 | -63.3 | -176 | 171 | 0 | 0 | 111.1 | T622 A626 R627 T628 | T622-E624 PolarHBondContact O-N 3.41Å; E624-A626 VanDerWaalsContact C-N 3.34Å; E624-A626 PolarHBondContact O-N 2.96Å; E624-R627 PolarHBondContact O-N 3.33Å; E624-T628 WeakPolarHBondContact O-CB 3.33Å; E624-T628 PolarHBondContact O-N 3.47Å; E624-T628 PolarHBondContact O-OG1 3.46Å |
| 625 | D | 87.8 | Confident | 83.8 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 23% | 0.23 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.2 | -67.2 | -38.1 | 0 | 0 | 0 | 111.8 | P589 C620 T622 L629 | P589-D625 HydrophobicContact CB-CB 3.8Å; P589-D625 WeakPolarHBondContact CB-OD1 3.32Å; P589-D625 HydrophobicContact CG-CB 3.69Å; C620-D625 HydrophobicContact CB-CB 3.99Å; T622-D625 PolarHBondContact O-N 3.38Å; T622-D625 VanDerWaalsContact OG1-CB 3.32Å; T622-D625 WeakPolarHBondContact OG1-CB 3.4Å; T622-D625 PolarHBondContact OG1-N 3.37Å; T622-D625 PolarHBondContact OG1-OD2 3.16Å; D625-L629 PolarHBondContact O-N 3.15Å; D625-L629 VanDerWaalsContact O-N 3.08Å |
| 626 | A | 87 | Confident | 83.7 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C620 T622 V623 E624 A630 T639 F647 | C620-A626 HydrophobicContact CB-CB 3.96Å; T622-A626 PolarHBondContact O-N 3.27Å; V623-A626 PolarHBondContact O-N 3.43Å; E624-A626 VanDerWaalsContact C-N 3.34Å; E624-A626 PolarHBondContact O-N 2.96Å; A626-A630 WeakPolarHBondContact O-CB 3.48Å; A626-A630 PolarHBondContact O-N 3.49Å; A626-T639 PolarHBondContact O-OG1 2.87Å; A626-F647 HydrophobicContact CB-CD2 3.86Å; A626-F647 HydrophobicContact CB-CE2 3.77Å |
| 627 | R | 85.8 | Confident | 83.6 | Confident | 164 Ų | 164 | 65.5 Ų | 65.5 | 62% | 0.619 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 178.2 | -177.4 | -176.2 | 177.5 | -176.2 | -0.7 | 111.7 | V623 E624 A630 F631 F647 | V623-R627 WeakPolarHBondContact O-CB 3.47Å; V623-R627 PolarHBondContact O-N 3.49Å; E624-R627 PolarHBondContact O-N 3.33Å; R627-A630 PolarHBondContact O-N 3.46Å; R627-F631 HydrophobicContact CG-CD2 4.02Å; R627-F631 PolarHBondContact O-N 2.9Å; R627-F647 HydrophobicContact CB-CE1 4.25Å; R627-F647 HydrophobicContact CB-CE2 4.23Å; R627-F647 HydrophobicContact CB-CZ 3.83Å; R627-F647 HydrophobicContact CG-CE1 4.33Å; R627-F647 HydrophobicContact CG-CZ 4.35Å |
| 628 | T | 84.5 | Confident | 83.6 | Confident | 71 Ų | 71 | 67.6 Ų | 67.6 | 44% | 0.436 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 178.5 | -63.6 | 0 | 0 | 0 | 0 | 110.4 | E624 A630 C632 | E624-T628 WeakPolarHBondContact O-CB 3.33Å; E624-T628 PolarHBondContact O-N 3.47Å; E624-T628 PolarHBondContact O-OG1 3.46Å; T628-A630 VanDerWaalsContact C-N 3.31Å; T628-A630 PolarHBondContact O-N 3.04Å; T628-C632 HydrophobicContact CG2-CB 4.04Å; T628-C632 WeakPolarHBondContact O-CB 3.47Å; T628-C632 PolarHBondContact O-N 3.34Å |
| 629 | L | 85.4 | Confident | 83.6 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.7 | -26.1 | 175.9 | -83.8 | 158.4 | 0 | 0 | 0 | 114.5 | I586 P589 V592 C620 D625 T639 | I586-L629 HydrophobicContact CD1-CD2 4.27Å; I586-L629 HydrophobicContact CG2-CD2 3.9Å; P589-L629 HydrophobicContact CG-CD1 3.38Å; P589-L629 HydrophobicContact CG-CG 3.89Å; V592-L629 HydrophobicContact CB-CD1 4.48Å; V592-L629 HydrophobicContact CG1-CD1 4.06Å; V592-L629 HydrophobicContact CG2-CD1 3.55Å; C620-L629 WeakPolarHBondContact SG-CD1 3.37Å; D625-L629 PolarHBondContact O-N 3.15Å; D625-L629 VanDerWaalsContact O-N 3.08Å; L629-T639 HydrophobicContact CB-CG2 3.67Å |
| 630 | A | 84.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -78.6 | -36.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A626 R627 T628 F647 | A626-A630 WeakPolarHBondContact O-CB 3.48Å; A626-A630 PolarHBondContact O-N 3.49Å; R627-A630 PolarHBondContact O-N 3.46Å; T628-A630 VanDerWaalsContact C-N 3.31Å; T628-A630 PolarHBondContact O-N 3.04Å; A630-F647 HydrophobicContact CB-CB 3.52Å; A630-F647 HydrophobicContact CB-CD1 4.44Å; A630-F647 HydrophobicContact CB-CG 3.97Å |
| 631 | F | 81.4 | Confident | 83.6 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 38% | 0.377 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -125.5 | -17.6 | -166.8 | -61.7 | -62.6 | 0 | 0 | 0 | 116.1 | R627 F647 I653 | R627-F631 HydrophobicContact CG-CD2 4.02Å; R627-F631 PolarHBondContact O-N 2.9Å; F631-F647 HydrophobicContact CD2-CD1 4.36Å; F631-F647 AromaticContact CE2-CD1 3.44Å; F631-F647 HydrophobicContact CE2-CD1 3.44Å; F631-F647 VanDerWaalsContact CE2-CD1 3.44Å; F631-F647 AromaticContact CE2-CE1 3.88Å; F631-F647 HydrophobicContact CE2-CE1 3.88Å; F631-F647 HydrophobicContact CE2-CG 4.39Å; F631-F647 HydrophobicContact CZ-CD1 4.03Å; F631-I653 HydrophobicContact CE2-CD1 4.23Å; F631-I653 HydrophobicContact CZ-CD1 4.25Å; F631-I653 HydrophobicContact CZ-CG1 4.23Å |
| 632 | C | 68.8 | Low | 83.7 | Confident | 77 Ų | 77 | 65.5 Ų | 65.5 | 52% | 0.52 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -80.8 | 153.9 | 179.8 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | T628 G634 | T628-C632 HydrophobicContact CG2-CB 4.04Å; T628-C632 WeakPolarHBondContact O-CB 3.47Å; T628-C632 PolarHBondContact O-N 3.34Å; C632-G634 PolarHBondContact O-N 3.5Å |
| 633 | E | 58.7 | Low | 83.6 | Confident | 208 Ų | 208 | 65.1 Ų | 65.1 | 97% | 0.972 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -30.7 | 110.2 | -168.2 | -65 | -175.7 | 157.9 | 0 | 0 | 115.6 | ||
| 634 | G | 69.7 | Low | 83.4 | Confident | 72 Ų | 72 | 62.5 Ų | 62.5 | 74% | 0.742 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 145.9 | -158.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C632 | C632-G634 PolarHBondContact O-N 3.5Š|
| 635 | E | 76.3 | Confident | 83.5 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -69.6 | 132.6 | 173.4 | -168.2 | -174.7 | 157.5 | 0 | 0 | 110.2 | H637 K649 | E635-H637 PolarHBondContact O-CD2 2.91Å; E635-H637 PolarHBondContact O-N 3.33Å; E635-H637 PolarHBondContact O-NE2 3.45Å; E635-K649 IonicContact OE1-NZ 2.65Å |
| 636 | R | 84 | Confident | 83.6 | Confident | 145 Ų | 145 | 54.6 Ų | 54.6 | 55% | 0.547 | 28% | 0.278 | S | S | . | . | trans | -72.5 | 123 | 177.2 | -66 | -177.6 | -176.8 | 175.7 | 0.6 | 110.5 | K649 | R636-K649 WeakPolarHBondContact O-CD 3.42Å; R636-K649 WeakPolarHBondContact O-CE 3.45Å; R636-K649 WeakPolarHBondContact O-CG 3.39Å | ||
| 637 | H | 87 | Confident | 83.8 | Confident | 27 Ų | 27 | 55 Ų | 55 | 13% | 0.125 | 28% | 0.279 | C | S | . | . | trans | -105 | 153.8 | 177.4 | -56.9 | -64.4 | 0 | 0 | 0 | 112.1 | L583 L618 E635 T639 | L583-H637 VanDerWaalsContact CD2-CE1 3.46Å; L583-H637 WeakPolarHBondContact CD2-CE1 3.18Å; L618-H637 HydrophobicContact CD1-CB 4.12Å; E635-H637 PolarHBondContact O-CD2 2.91Å; E635-H637 PolarHBondContact O-N 3.33Å; E635-H637 PolarHBondContact O-NE2 3.45Å; H637-T639 HydrophobicContact CB-CG2 4.23Å | ||
| 638 | K | 89.6 | Confident | 83.9 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 113.3 | 172 | -179.5 | -179.7 | 174.8 | -168 | 0 | 106.9 | A617 L618 L646 F647 K649 | A617-K638 CarbonylContact C-O 3.4Å; A617-K638 WeakPolarHBondContact CA-O 3.49Å; A617-K638 HydrophobicContact CB-CD 4.04Å; A617-K638 HydrophobicContact CB-CG 4.21Å; L618-K638 PolarHBondContact N-O 2.82Å; K638-L646 HydrophobicContact CG-CD1 4.03Å; K638-F647 CarbonylContact C-O 3.45Å; K638-F647 WeakPolarHBondContact CA-O 3.47Å; K638-K649 HydrophobicContact CB-CG 4.16Å |
| 639 | T | 91.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.6 | -175.6 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | L618 A626 L629 H637 L646 F647 | L618-T639 HydrophobicContact CB-CG2 4.21Å; L618-T639 HydrophobicContact CD1-CG2 4.43Å; L618-T639 CarbonylContact O-C 3.59Å; L618-T639 VanDerWaalsContact O-CA 3.31Å; L618-T639 WeakPolarHBondContact O-CA 3.38Å; A626-T639 PolarHBondContact O-OG1 2.87Å; L629-T639 HydrophobicContact CB-CG2 3.67Å; H637-T639 HydrophobicContact CB-CG2 4.23Å; T639-L646 WeakPolarHBondContact O-CA 3.38Å; T639-F647 PolarHBondContact N-O 3.44Å; T639-F647 PolarHBondContact O-N 3.4Å |
| 640 | V | 92 | Very high | 83.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.4 | 176.1 | 67.2 | 0 | 0 | 0 | 0 | 109.1 | A531 K534 V535 V595 L618 V619 C620 T645 L646 | A531-V640 HydrophobicContact CB-CG1 4.02Å; A531-V640 HydrophobicContact CB-CG2 4.18Å; K534-V640 HydrophobicContact CB-CG2 4.33Å; K534-V640 HydrophobicContact CG-CG2 4.46Å; V535-V640 HydrophobicContact CG2-CB 3.95Å; V535-V640 HydrophobicContact CG2-CG1 3.59Å; V535-V640 HydrophobicContact CG2-CG2 4.21Å; V595-V640 HydrophobicContact CG2-CG1 4.11Å; L618-V640 WeakPolarHBondContact O-CG1 3.3Å; L618-V640 PolarHBondContact O-N 3.32Å; V619-V640 CarbonylContact C-O 3.37Å; V619-V640 VanDerWaalsContact CA-O 3.3Å; V619-V640 WeakPolarHBondContact CA-O 3.27Å; V619-V640 HydrophobicContact CB-CG1 4.04Å; V619-V640 HydrophobicContact CG2-CG1 4.21Å; C620-V640 PolarHBondContact N-O 3.24Å; V640-T645 WeakPolarHBondContact CA-O 3.37Å; V640-L646 HydrophobicContact CB-CD1 3.97Å; V640-L646 HydrophobicContact CG2-CB 4.28Å; V640-L646 HydrophobicContact CG2-CD1 4.42Å |
| 641 | S | 91.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 163.3 | 170.7 | 39.8 | 0 | 0 | 0 | 0 | 111.5 | C620 D643 G644 T645 | C620-S641 WeakPolarHBondContact O-CA 3.05Å; S641-D643 WeakPolarHBondContact CB-OD1 3.22Å; S641-D643 PolarHBondContact O-N 3.41Å; S641-D643 VanDerWaalsContact O-N 3.16Å; S641-D643 PolarHBondContact OG-OD1 3.03Å; S641-G644 PolarHBondContact O-N 2.86Å; S641-T645 PolarHBondContact N-O 3.08Å; S641-T645 WeakPolarHBondContact OG-CB 3.48Å; S641-T645 PolarHBondContact OG-O 3.36Å |
| 642 | L | 89.4 | Confident | 83.9 | Confident | 30 Ų | 30 | 55 Ų | 55 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24 | -179.7 | -67.1 | 173.7 | 0 | 0 | 0 | 114 | Y528 L530 V619 C620 E621 G644 | Y528-L642 HydrophobicContact CD1-CD2 3.62Å; Y528-L642 HydrophobicContact CE1-CD2 3.95Å; L530-L642 WeakPolarHBondContact CB-O 2.75Å; V619-L642 HydrophobicContact CG2-CD2 4.05Å; C620-L642 PolarHBondContact O-N 2.96Å; E621-L642 HydrophobicContact CB-CD1 4.2Å; E621-L642 HydrophobicContact CG-CD1 4.25Å; L642-G644 PolarHBondContact O-N 3.45Å |
| 643 | D | 86.1 | Confident | 84.8 | Confident | 53 Ų | 53 | 56.1 Ų | 56.1 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -9.5 | 174.4 | 73.4 | -24 | 0 | 0 | 0 | 113.4 | V623 S641 T645 | V623-D643 WeakPolarHBondContact CG2-OD2 3.18Å; S641-D643 WeakPolarHBondContact CB-OD1 3.22Å; S641-D643 PolarHBondContact O-N 3.41Å; S641-D643 VanDerWaalsContact O-N 3.16Å; S641-D643 PolarHBondContact OG-OD1 3.03Å; D643-T645 WeakPolarHBondContact OD1-CB 3.43Å; D643-T645 PolarHBondContact OD1-N 3.02Å; D643-T645 PolarHBondContact OD1-OG1 3.35Å; D643-T645 PolarHBondContact OD2-OG1 3.17Å |
| 644 | G | 83.5 | Confident | 86 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | trans | 87 | 15.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | K534 S641 L642 L646 | K534-G644 WeakPolarHBondContact CD-O 3.41Å; K534-G644 WeakPolarHBondContact CE-O 3.36Å; K534-G644 VanDerWaalsContact CG-O 3.27Å; K534-G644 WeakPolarHBondContact CG-O 3.49Å; S641-G644 PolarHBondContact O-N 2.86Å; L642-G644 PolarHBondContact O-N 3.45Å; G644-L646 PolarHBondContact O-N 3.15Å | ||
| 645 | T | 89.5 | Confident | 86.2 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | trans | -75.6 | 115.3 | 167.6 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | V623 V640 S641 D643 F647 I653 | V623-T645 HydrophobicContact CG1-CG2 4.22Å; V640-T645 WeakPolarHBondContact CA-O 3.37Å; S641-T645 PolarHBondContact N-O 3.08Å; S641-T645 WeakPolarHBondContact OG-CB 3.48Å; S641-T645 PolarHBondContact OG-O 3.36Å; D643-T645 WeakPolarHBondContact OD1-CB 3.43Å; D643-T645 PolarHBondContact OD1-N 3.02Å; D643-T645 PolarHBondContact OD1-OG1 3.35Å; D643-T645 PolarHBondContact OD2-OG1 3.17Å; T645-F647 HydrophobicContact CG2-CE2 3.8Å; T645-F647 HydrophobicContact CG2-CZ 3.79Å; T645-I653 HydrophobicContact CG2-CG2 4.2Å | ||
| 646 | L | 90.1 | Very high | 86.1 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.1 | -176.6 | 171.4 | 73.7 | 0 | 0 | 0 | 110.4 | K534 V535 K638 T639 V640 G644 H648 S654 | K534-L646 HydrophobicContact CG-CB 3.76Å; K534-L646 HydrophobicContact CG-CD2 4.26Å; V535-L646 HydrophobicContact CG2-CD1 4.45Å; K638-L646 HydrophobicContact CG-CD1 4.03Å; T639-L646 WeakPolarHBondContact O-CA 3.38Å; V640-L646 HydrophobicContact CB-CD1 3.97Å; V640-L646 HydrophobicContact CG2-CB 4.28Å; V640-L646 HydrophobicContact CG2-CD1 4.42Å; G644-L646 PolarHBondContact O-N 3.15Å; L646-H648 VanDerWaalsContact CD2-NE2 3.33Å; L646-H648 WeakPolarHBondContact CD2-NE2 3.42Å; L646-S654 WeakPolarHBondContact CB-OG 3.49Å; L646-S654 PolarHBondContact N-O 3.09Å; L646-S654 PolarHBondContact O-N 2.99Å |
| 647 | F | 90.3 | Very high | 85.3 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 118.8 | 173.2 | -59 | -86.2 | 0 | 0 | 0 | 109.5 | V623 A626 R627 A630 F631 K638 T639 T645 I653 | V623-F647 HydrophobicContact CG1-CE2 4.26Å; V623-F647 HydrophobicContact CG1-CZ 4.06Å; A626-F647 HydrophobicContact CB-CD2 3.86Å; A626-F647 HydrophobicContact CB-CE2 3.77Å; R627-F647 HydrophobicContact CB-CE1 4.25Å; R627-F647 HydrophobicContact CB-CE2 4.23Å; R627-F647 HydrophobicContact CB-CZ 3.83Å; R627-F647 HydrophobicContact CG-CE1 4.33Å; R627-F647 HydrophobicContact CG-CZ 4.35Å; A630-F647 HydrophobicContact CB-CB 3.52Å; A630-F647 HydrophobicContact CB-CD1 4.44Å; A630-F647 HydrophobicContact CB-CG 3.97Å; F631-F647 HydrophobicContact CD2-CD1 4.36Å; F631-F647 AromaticContact CE2-CD1 3.44Å; F631-F647 HydrophobicContact CE2-CD1 3.44Å; F631-F647 VanDerWaalsContact CE2-CD1 3.44Å; F631-F647 AromaticContact CE2-CE1 3.88Å; F631-F647 HydrophobicContact CE2-CE1 3.88Å; F631-F647 HydrophobicContact CE2-CG 4.39Å; F631-F647 HydrophobicContact CZ-CD1 4.03Å; K638-F647 CarbonylContact C-O 3.45Å; K638-F647 WeakPolarHBondContact CA-O 3.47Å; T639-F647 PolarHBondContact N-O 3.44Å; T639-F647 PolarHBondContact O-N 3.4Å; T645-F647 HydrophobicContact CG2-CE2 3.8Å; T645-F647 HydrophobicContact CG2-CZ 3.79Å; F647-I653 HydrophobicContact CD1-CB 4.45Å; F647-I653 HydrophobicContact CD1-CD1 4.17Å; F647-I653 HydrophobicContact CD1-CG1 3.84Å; F647-I653 HydrophobicContact CD1-CG2 4.03Å; F647-I653 HydrophobicContact CE1-CD1 3.96Å; F647-I653 HydrophobicContact CE1-CG1 4.06Å; F647-I653 HydrophobicContact CE1-CG2 3.8Å; F647-I653 HydrophobicContact CZ-CG2 4.48Å |
| 648 | H | 87.5 | Confident | 84.5 | Confident | 61 Ų | 61 | 49 Ų | 49 | 28% | 0.282 | 28% | 0.28 | S | S | . | . | trans | -85.6 | 153.2 | 176.2 | -71.5 | -97.8 | 0 | 0 | 0 | 111.5 | L646 S650 G651 V652 | L646-H648 VanDerWaalsContact CD2-NE2 3.33Å; L646-H648 WeakPolarHBondContact CD2-NE2 3.42Å; H648-S650 WeakPolarHBondContact CB-OG 3.47Å; H648-S650 PolarHBondContact O-N 3.06Å; H648-S650 VanDerWaalsContact O-N 3.11Å; H648-G651 PolarHBondContact O-N 3.26Å; H648-V652 HydrophobicContact CB-CB 4.15Å; H648-V652 WeakPolarHBondContact CB-O 3.47Å; H648-V652 PolarHBondContact CD2-O 3.2Å; H648-V652 PolarHBondContact N-O 3.27Å | ||
| 649 | K | 85 | Confident | 83.5 | Confident | 85 Ų | 85 | 52.5 Ų | 52.5 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -27.9 | 170.8 | -60.6 | -165.7 | 173.9 | -158.6 | 0 | 113.1 | E635 R636 K638 G651 | E635-K649 IonicContact OE1-NZ 2.65Å; R636-K649 WeakPolarHBondContact O-CD 3.42Å; R636-K649 WeakPolarHBondContact O-CE 3.45Å; R636-K649 WeakPolarHBondContact O-CG 3.39Å; K638-K649 HydrophobicContact CB-CG 4.16Å; K649-G651 PolarHBondContact O-N 3.29Å |
| 650 | S | 84.2 | Confident | 82.5 | Confident | 88 Ų | 88 | 53 Ų | 53 | 62% | 0.615 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -9.1 | 176.8 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | H648 | H648-S650 WeakPolarHBondContact CB-OG 3.47Å; H648-S650 PolarHBondContact O-N 3.06Å; H648-S650 VanDerWaalsContact O-N 3.11Å |
| 651 | G | 80.9 | Confident | 81.6 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 89.5 | -1.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H648 K649 I653 | H648-G651 PolarHBondContact O-N 3.26Å; K649-G651 PolarHBondContact O-N 3.29Å; G651-I653 PolarHBondContact O-N 3.05Å |
| 652 | V | 86.1 | Confident | 80.5 | Confident | 82 Ų | 82 | 61 Ų | 61 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | trans | -68.3 | 129.3 | 172.2 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | H648 | H648-V652 HydrophobicContact CB-CB 4.15Å; H648-V652 WeakPolarHBondContact CB-O 3.47Å; H648-V652 PolarHBondContact CD2-O 3.2Å; H648-V652 PolarHBondContact N-O 3.27Å | ||
| 653 | I | 87.9 | Confident | 79.5 | Confident | 100 Ų | 100 | 64.1 Ų | 64.1 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.6 | 175.1 | -51.3 | 177.4 | 0 | 0 | 0 | 107.3 | F631 T645 F647 G651 | F631-I653 HydrophobicContact CE2-CD1 4.23Å; F631-I653 HydrophobicContact CZ-CD1 4.25Å; F631-I653 HydrophobicContact CZ-CG1 4.23Å; T645-I653 HydrophobicContact CG2-CG2 4.2Å; F647-I653 HydrophobicContact CD1-CB 4.45Å; F647-I653 HydrophobicContact CD1-CD1 4.17Å; F647-I653 HydrophobicContact CD1-CG1 3.84Å; F647-I653 HydrophobicContact CD1-CG2 4.03Å; F647-I653 HydrophobicContact CE1-CD1 3.96Å; F647-I653 HydrophobicContact CE1-CG1 4.06Å; F647-I653 HydrophobicContact CE1-CG2 3.8Å; F647-I653 HydrophobicContact CZ-CG2 4.48Å; G651-I653 PolarHBondContact O-N 3.05Å |
| 654 | S | 82.9 | Confident | 78.7 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 115.1 | 178.3 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | K534 L646 | K534-S654 WeakPolarHBondContact CE-O 3.45Å; K534-S654 VanDerWaalsContact CE-OG 3.26Å; K534-S654 WeakPolarHBondContact CE-OG 3.45Å; L646-S654 WeakPolarHBondContact CB-OG 3.49Å; L646-S654 PolarHBondContact N-O 3.09Å; L646-S654 PolarHBondContact O-N 2.99Å |
| 655 | G | 75.3 | Confident | 78 | Confident | 44 Ų | 44 | 70 Ų | 70 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | trans | -112.7 | -166.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K534 | K534-G655 PolarHBondContact NZ-O 3.44Š| ||
| 656 | G | 73.9 | Confident | 76.9 | Confident | 48 Ų | 48 | 71 Ų | 71 | 50% | 0.495 | 38% | 0.377 | S | S | . | . | trans | 122.1 | 90.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L660 | G656-L660 WeakPolarHBondContact O-CB 3.27Š| ||
| 657 | T | 68.2 | Low | 75.8 | Confident | 73 Ų | 73 | 72.2 Ų | 72.2 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -77.5 | -30.8 | -175.5 | 41.1 | 0 | 0 | 0 | 0 | 113.6 | K661 | T657-K661 VanDerWaalsContact O-CB 3.29Å; T657-K661 WeakPolarHBondContact O-CB 3.31Å; T657-K661 VanDerWaalsContact O-CG 3.24Å; T657-K661 WeakPolarHBondContact O-CG 3.46Å; T657-K661 PolarHBondContact O-N 3.01Å |
| 658 | W | 68.6 | Low | 74.6 | Confident | 222 Ų | 222 | 75.5 Ų | 75.5 | 84% | 0.841 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -71.7 | -58.3 | -175.9 | -119.4 | 75.8 | 0 | 0 | 0 | 112.3 | L660 K661 A662 | W658-L660 PolarHBondContact O-N 3.35Å; W658-K661 PolarHBondContact O-N 3.39Å; W658-K661 VanDerWaalsContact O-N 3.15Å; W658-A662 PolarHBondContact O-N 2.97Å |
| 659 | D | 69.2 | Low | 73.3 | Confident | 117 Ų | 117 | 76.2 Ų | 76.2 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58.6 | -35.8 | 175.2 | -81.1 | 1.1 | 0 | 0 | 0 | 112.5 | A662 R663 | D659-A662 PolarHBondContact O-N 3.22Å; D659-R663 WeakPolarHBondContact O-CG 3.41Å; D659-R663 PolarHBondContact O-N 3.46Å |
| 660 | L | 70.6 | Confident | 72.2 | Confident | 10 Ų | 10 | 80.9 Ų | 80.9 | 5% | 0.052 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -72.7 | -36 | 179.7 | -162.1 | 77.4 | 0 | 0 | 0 | 112.1 | L530 T533 K534 G656 W658 R663 A664 | L530-L660 HydrophobicContact CB-CD2 4.01Å; L530-L660 HydrophobicContact CD2-CB 4.39Å; L530-L660 HydrophobicContact CD2-CD2 4.02Å; L530-L660 HydrophobicContact CD2-CG 4.07Å; T533-L660 HydrophobicContact CG2-CD1 4.05Å; K534-L660 HydrophobicContact CB-CD1 3.82Å; K534-L660 HydrophobicContact CB-CD2 4.01Å; K534-L660 HydrophobicContact CD-CD1 3.61Å; K534-L660 HydrophobicContact CD-CD2 4.18Å; K534-L660 HydrophobicContact CG-CD1 4.34Å; G656-L660 WeakPolarHBondContact O-CB 3.27Å; W658-L660 PolarHBondContact O-N 3.35Å; L660-R663 PolarHBondContact O-N 2.98Å; L660-A664 WeakPolarHBondContact O-CB 3.28Å; L660-A664 PolarHBondContact O-N 3.08Å |
| 661 | K | 72.4 | Confident | 71.2 | Confident | 122 Ų | 122 | 79.3 Ų | 79.3 | 53% | 0.53 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 170.5 | -83.3 | 178.1 | -179.6 | -178.1 | 0 | 111 | L530 T657 W658 A664 R665 | L530-K661 HydrophobicContact CD2-CG 3.89Å; T657-K661 VanDerWaalsContact O-CB 3.29Å; T657-K661 WeakPolarHBondContact O-CB 3.31Å; T657-K661 VanDerWaalsContact O-CG 3.24Å; T657-K661 WeakPolarHBondContact O-CG 3.46Å; T657-K661 PolarHBondContact O-N 3.01Å; W658-K661 PolarHBondContact O-N 3.39Å; W658-K661 VanDerWaalsContact O-N 3.15Å; K661-A664 PolarHBondContact O-N 2.91Å; K661-R665 WeakPolarHBondContact O-CG 3.37Å; K661-R665 PolarHBondContact O-N 2.88Å |
| 662 | A | 68.9 | Low | 70.6 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 38% | 0.38 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | W658 D659 A664 R665 | W658-A662 PolarHBondContact O-N 2.97Å; D659-A662 PolarHBondContact O-N 3.22Å; A662-A664 VanDerWaalsContact C-N 3.33Å; A662-A664 PolarHBondContact O-N 2.97Å; A662-R665 WeakPolarHBondContact O-CB 3.21Å; A662-R665 PolarHBondContact O-N 3.24Å |
| 663 | R | 69.4 | Low | 69.7 | Low | 97 Ų | 97 | 78.5 Ų | 78.5 | 37% | 0.366 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -32.3 | 175 | -70.7 | -178.7 | -175.1 | -170.1 | 2.7 | 113.4 | T533 D659 L660 R665 R666 | T533-R663 HydrophobicContact CG2-CB 3.75Å; D659-R663 WeakPolarHBondContact O-CG 3.41Å; D659-R663 PolarHBondContact O-N 3.46Å; L660-R663 PolarHBondContact O-N 2.98Å; R663-R665 VanDerWaalsContact C-N 3.32Å; R663-R666 WeakPolarHBondContact O-CB 3.32Å; R663-R666 WeakPolarHBondContact O-CD 3.38Å; R663-R666 WeakPolarHBondContact O-CG 3.31Å; R663-R666 PolarHBondContact O-N 3.45Å |
| 664 | A | 69 | Low | 68.9 | Low | 3 Ų | 3 | 80.2 Ų | 80.2 | 3% | 0.025 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.4 | -21.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L529 L530 T533 L660 K661 A662 R666 W667 | L529-A664 HydrophobicContact CD2-CB 3.92Å; L529-A664 WeakPolarHBondContact CD2-O 3.33Å; L529-A664 HydrophobicContact CG-CB 3.97Å; L530-A664 HydrophobicContact CD2-CB 3.85Å; T533-A664 HydrophobicContact CG2-CB 4.45Å; L660-A664 WeakPolarHBondContact O-CB 3.28Å; L660-A664 PolarHBondContact O-N 3.08Å; K661-A664 PolarHBondContact O-N 2.91Å; A662-A664 VanDerWaalsContact C-N 3.33Å; A662-A664 PolarHBondContact O-N 2.97Å; A664-R666 PolarHBondContact O-N 3.19Å; A664-W667 PolarHBondContact O-N 3.21Å |
| 665 | R | 68.9 | Low | 68.5 | Low | 175 Ų | 175 | 80.3 Ų | 80.3 | 66% | 0.66 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -65.6 | -16.6 | 170.6 | -71.9 | 174.7 | -179.1 | -172.3 | -1.3 | 113 | K661 A662 R663 W667 D668 | K661-R665 WeakPolarHBondContact O-CG 3.37Å; K661-R665 PolarHBondContact O-N 2.88Å; A662-R665 WeakPolarHBondContact O-CB 3.21Å; A662-R665 PolarHBondContact O-N 3.24Å; R663-R665 VanDerWaalsContact C-N 3.32Å; R665-W667 PolarHBondContact O-N 2.96Å; R665-W667 VanDerWaalsContact O-N 3.15Å; R665-D668 PolarHBondContact O-N 3.31Å |
| 666 | R | 64.7 | Low | 68.5 | Low | 42 Ų | 42 | 83 Ų | 83 | 16% | 0.158 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -61.4 | -20.5 | 177.3 | -63.6 | 176.5 | 179.3 | -179 | -1.8 | 113.6 | E491 R663 A664 D668 | E491-R666 IonicContact OE1-NH2 2.82Å; E491-R666 IonicContact OE2-CZ 3.91Å; E491-R666 IonicContact OE2-NH2 3.55Å; E491-R666 PolarHBondContact OE2-NH2 2.9Å; R663-R666 WeakPolarHBondContact O-CB 3.32Å; R663-R666 WeakPolarHBondContact O-CD 3.38Å; R663-R666 WeakPolarHBondContact O-CG 3.31Å; R663-R666 PolarHBondContact O-N 3.45Å; A664-R666 PolarHBondContact O-N 3.19Å; R666-D668 VanDerWaalsContact C-N 3.28Å; R666-D668 PolarHBondContact O-N 3.35Å |
| 667 | W | 68.1 | Low | 68.7 | Low | 34 Ų | 34 | 83.6 Ų | 83.6 | 13% | 0.129 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -75.1 | -13.8 | 176.4 | -61.8 | 104.6 | 0 | 0 | 0 | 113.6 | V518 C521 P523 L529 V532 T533 L536 M540 A664 R665 | V518-W667 HydrophobicContact CG2-CE3 4.1Å; V518-W667 HydrophobicContact CG2-CH2 4.17Å; V518-W667 HydrophobicContact CG2-CZ3 3.85Å; C521-W667 WeakPolarHBondContact O-CZ3 3.37Å; P523-W667 HydrophobicContact CG-CD2 4.42Å; P523-W667 HydrophobicContact CG-CZ2 4.13Å; L529-W667 HydrophobicContact CD1-CB 3.69Å; L529-W667 HydrophobicContact CD1-CD2 4.21Å; L529-W667 HydrophobicContact CD1-CG 3.39Å; L529-W667 HydrophobicContact CG-CG 4.33Å; V532-W667 HydrophobicContact CG1-CZ2 4.41Å; T533-W667 PolarHBondContact OG1-NE1 3.43Å; L536-W667 HydrophobicContact CD1-CH2 4.5Å; L536-W667 HydrophobicContact CD1-CZ2 4.38Å; M540-W667 HydrophobicContact CE-CZ2 4.05Å; A664-W667 PolarHBondContact O-N 3.21Å; R665-W667 PolarHBondContact O-N 2.96Å; R665-W667 VanDerWaalsContact O-N 3.15Å |
| 668 | D | 65.4 | Low | 69.3 | Low | 77 Ų | 77 | 84.6 Ų | 84.6 | 41% | 0.412 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -94.3 | 15.6 | -178.3 | -73.5 | -36.6 | 0 | 0 | 0 | 113.6 | R665 R666 K670 A671 | R665-D668 PolarHBondContact O-N 3.31Å; R666-D668 VanDerWaalsContact C-N 3.28Å; R666-D668 PolarHBondContact O-N 3.35Å; D668-K670 PolarHBondContact O-N 2.79Å; D668-A671 WeakPolarHBondContact O-CB 3.4Å; D668-A671 PolarHBondContact O-N 3.03Å |
| 669 | E | 59.4 | Low | 69.9 | Low | 75 Ų | 75 | 78.1 Ų | 78.1 | 35% | 0.35 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -50.7 | -33.8 | -179.2 | -86.2 | -178.9 | 174.6 | 0 | 0 | 114.2 | A671 V672 A673 | E669-A671 VanDerWaalsContact C-N 3.28Å; E669-A671 PolarHBondContact O-N 2.83Å; E669-V672 PolarHBondContact O-N 2.66Å; E669-A673 PolarHBondContact O-N 2.86Å |
| 670 | K | 63 | Low | 70.5 | Confident | 183 Ų | 183 | 79.8 Ų | 79.8 | 80% | 0.796 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.1 | -30.9 | 176.6 | -68.8 | -176.2 | 179.4 | 177.2 | 0 | 113 | D668 H674 | D668-K670 PolarHBondContact O-N 2.79Å; K670-H674 PolarHBondContact O-N 3Å |
| 671 | A | 63.6 | Low | 71.2 | Confident | 55 Ų | 55 | 82.6 Ų | 82.6 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.4 | -37.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D668 E669 H674 L675 | D668-A671 WeakPolarHBondContact O-CB 3.4Å; D668-A671 PolarHBondContact O-N 3.03Å; E669-A671 VanDerWaalsContact C-N 3.28Å; E669-A671 PolarHBondContact O-N 2.83Å; A671-H674 PolarHBondContact O-N 3.16Å; A671-L675 WeakPolarHBondContact O-CG 3.41Å; A671-L675 PolarHBondContact O-N 3.36Å; A671-L675 VanDerWaalsContact O-N 3.16Å |
| 672 | V | 67.2 | Low | 71.9 | Confident | 37 Ų | 37 | 77 Ų | 77 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 178.4 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | L482 A485 E669 H674 L675 R676 | L482-V672 HydrophobicContact CD2-CG1 4.43Å; A485-V672 HydrophobicContact CB-CG2 4.27Å; E669-V672 PolarHBondContact O-N 2.66Å; V672-H674 VanDerWaalsContact C-N 3.34Å; V672-H674 PolarHBondContact O-N 3.39Å; V672-L675 PolarHBondContact O-N 3.44Å; V672-R676 WeakPolarHBondContact O-CG 3.49Å; V672-R676 PolarHBondContact O-N 2.93Å; V672-R676 VanDerWaalsContact O-N 3.1Å |
| 673 | A | 66.5 | Low | 72.6 | Confident | 60 Ų | 60 | 76.9 Ų | 76.9 | 50% | 0.496 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | E669 R676 A677 | E669-A673 PolarHBondContact O-N 2.86Å; A673-R676 PolarHBondContact O-N 2.76Å; A673-A677 PolarHBondContact O-N 3.43Å; A673-A677 VanDerWaalsContact O-N 3.08Å |
| 674 | H | 72.5 | Confident | 73.3 | Confident | 135 Ų | 135 | 76.8 Ų | 76.8 | 63% | 0.625 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.9 | -38.8 | 177.4 | -170 | -69.9 | 0 | 0 | 0 | 112.6 | K670 A671 V672 A677 K678 | K670-H674 PolarHBondContact O-N 3Å; A671-H674 PolarHBondContact O-N 3.16Å; V672-H674 VanDerWaalsContact C-N 3.34Å; V672-H674 PolarHBondContact O-N 3.39Å; H674-A677 PolarHBondContact O-N 3.01Å; H674-K678 PolarHBondContact O-N 3.48Å; H674-K678 VanDerWaalsContact O-N 3.11Å |
| 675 | L | 74.2 | Confident | 74.2 | Confident | 32 Ų | 32 | 79.4 Ų | 79.4 | 17% | 0.168 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 175.7 | -69.8 | 172.9 | 0 | 0 | 0 | 112.3 | Q481 L482 A671 V672 K678 K679 | Q481-L675 HydrophobicContact CB-CD1 4.21Å; Q481-L675 VanDerWaalsContact OE1-CD2 3.25Å; L482-L675 HydrophobicContact CD2-CB 3.76Å; L482-L675 HydrophobicContact CD2-CD1 4.46Å; L482-L675 HydrophobicContact CG-CB 4.2Å; A671-L675 WeakPolarHBondContact O-CG 3.41Å; A671-L675 PolarHBondContact O-N 3.36Å; A671-L675 VanDerWaalsContact O-N 3.16Å; V672-L675 PolarHBondContact O-N 3.44Å; L675-K678 PolarHBondContact O-N 3.33Å; L675-K679 PolarHBondContact O-N 2.83Å |
| 676 | R | 74.2 | Confident | 75 | Confident | 101 Ų | 101 | 75.4 Ų | 75.4 | 38% | 0.381 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 175.1 | -71.9 | -177.8 | -178.5 | -180 | 2.1 | 112.1 | L482 N492 V672 A673 K678 K679 E680 | L482-R676 HydrophobicContact CD2-CG 4.1Å; N492-R676 PolarHBondContact ND2-NH2 3.35Å; V672-R676 WeakPolarHBondContact O-CG 3.49Å; V672-R676 PolarHBondContact O-N 2.93Å; V672-R676 VanDerWaalsContact O-N 3.1Å; A673-R676 PolarHBondContact O-N 2.76Å; R676-K678 VanDerWaalsContact C-N 3.32Å; R676-K678 PolarHBondContact O-N 3.47Å; R676-K679 WeakPolarHBondContact O-CB 3.4Å; R676-K679 PolarHBondContact O-N 3.26Å; R676-E680 PolarHBondContact O-N 2.97Å; R676-E680 VanDerWaalsContact O-N 3.08Å |
| 677 | A | 78.7 | Confident | 76 | Confident | 59 Ų | 59 | 78.4 Ų | 78.4 | 49% | 0.488 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.8 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A673 H674 E680 S681 | A673-A677 PolarHBondContact O-N 3.43Å; A673-A677 VanDerWaalsContact O-N 3.08Å; H674-A677 PolarHBondContact O-N 3.01Å; A677-E680 PolarHBondContact O-N 2.68Å; A677-S681 PolarHBondContact O-N 3.39Å; A677-S681 VanDerWaalsContact O-N 3.1Å |
| 678 | K | 80.4 | Confident | 76.8 | Confident | 95 Ų | 95 | 82.6 Ų | 82.6 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 176 | -166.4 | 178.7 | 178.8 | -172 | 0 | 112.8 | I478 H674 L675 R676 S681 L682 | I478-K678 HydrophobicContact CD1-CB 4.25Å; I478-K678 HydrophobicContact CD1-CD 3.74Å; I478-K678 HydrophobicContact CD1-CG 3.76Å; H674-K678 PolarHBondContact O-N 3.48Å; H674-K678 VanDerWaalsContact O-N 3.11Å; L675-K678 PolarHBondContact O-N 3.33Å; R676-K678 VanDerWaalsContact C-N 3.32Å; R676-K678 PolarHBondContact O-N 3.47Å; K678-S681 WeakPolarHBondContact CA-OG 3.45Å; K678-S681 PolarHBondContact O-OG 3.29Å; K678-L682 HydrophobicContact CG-CD1 4.43Å; K678-L682 WeakPolarHBondContact O-CG 3.35Å; K678-L682 PolarHBondContact O-N 2.86Å; K678-L682 VanDerWaalsContact O-N 3.15Å |
| 679 | K | 82.2 | Confident | 77.8 | Confident | 86 Ų | 86 | 80 Ų | 80 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 173.7 | 178.4 | 173.9 | 173 | 166.1 | 0 | 111.6 | I478 N479 L482 L675 R676 L682 A683 | I478-K679 HydrophobicContact CG2-CB 4.01Å; N479-K679 WeakPolarHBondContact OD1-CE 3.49Å; N479-K679 PolarHBondContact OD1-NZ 3.04Å; L482-K679 HydrophobicContact CD1-CB 4.48Å; L482-K679 HydrophobicContact CD1-CD 3.79Å; L675-K679 PolarHBondContact O-N 2.83Å; R676-K679 WeakPolarHBondContact O-CB 3.4Å; R676-K679 PolarHBondContact O-N 3.26Å; K679-L682 PolarHBondContact O-N 2.98Å; K679-A683 WeakPolarHBondContact O-CB 3.42Å; K679-A683 PolarHBondContact O-N 3.14Å |
| 680 | E | 81.6 | Confident | 78.9 | Confident | 151 Ų | 151 | 78.9 Ų | 78.9 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.2 | -41 | 179.3 | -167.8 | 165.6 | -164.5 | 0 | 0 | 111.9 | R676 A677 L682 A683 E684 | R676-E680 PolarHBondContact O-N 2.97Å; R676-E680 VanDerWaalsContact O-N 3.08Å; A677-E680 PolarHBondContact O-N 2.68Å; E680-L682 PolarHBondContact O-N 3.07Å; E680-A683 PolarHBondContact O-N 3.49Å; E680-E684 PolarHBondContact O-N 3.31Å; E680-E684 VanDerWaalsContact O-N 3.16Å |
| 681 | S | 84.7 | Confident | 79.9 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 174.7 | 60.8 | 0 | 0 | 0 | 0 | 113 | A677 K678 E684 E685 | A677-S681 PolarHBondContact O-N 3.39Å; A677-S681 VanDerWaalsContact O-N 3.1Å; K678-S681 WeakPolarHBondContact CA-OG 3.45Å; K678-S681 PolarHBondContact O-OG 3.29Å; S681-E684 PolarHBondContact O-N 3.45Å; S681-E685 PolarHBondContact O-N 2.92Å; S681-E685 VanDerWaalsContact O-N 3.08Å |
| 682 | L | 87 | Confident | 80.8 | Confident | 6 Ų | 6 | 78.2 Ų | 78.2 | 3% | 0.031 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -70 | -32.1 | 177.6 | -72.7 | 168.3 | 0 | 0 | 0 | 112.6 | V471 E474 V475 I478 K678 K679 E680 E684 E685 Y686 | V471-L682 HydrophobicContact CG1-CB 4.37Å; V471-L682 HydrophobicContact CG1-CD2 4.28Å; V471-L682 HydrophobicContact CG2-CD2 4.33Å; E474-L682 HydrophobicContact CB-CD1 3.89Å; E474-L682 HydrophobicContact CB-CD2 4.45Å; E474-L682 WeakPolarHBondContact OE2-CD2 3.31Å; V475-L682 HydrophobicContact CG2-CB 3.74Å; V475-L682 HydrophobicContact CG2-CD1 4.19Å; I478-L682 HydrophobicContact CD1-CD1 3.32Å; K678-L682 HydrophobicContact CG-CD1 4.43Å; K678-L682 WeakPolarHBondContact O-CG 3.35Å; K678-L682 PolarHBondContact O-N 2.86Å; K678-L682 VanDerWaalsContact O-N 3.15Å; K679-L682 PolarHBondContact O-N 2.98Å; E680-L682 PolarHBondContact O-N 3.07Å; L682-E684 VanDerWaalsContact C-N 3.32Å; L682-E685 PolarHBondContact O-N 3.39Å; L682-Y686 WeakPolarHBondContact O-CB 3.46Å; L682-Y686 PolarHBondContact O-N 3.45Å |
| 683 | A | 83.1 | Confident | 81.5 | Confident | 43 Ų | 43 | 80.8 Ų | 80.8 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67 | -34 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K679 E680 K687 | K679-A683 WeakPolarHBondContact O-CB 3.42Å; K679-A683 PolarHBondContact O-N 3.14Å; E680-A683 PolarHBondContact O-N 3.49Å; A683-K687 WeakPolarHBondContact O-CG 3.41Å; A683-K687 PolarHBondContact O-N 2.9Å |
| 684 | E | 85.1 | Confident | 82.2 | Confident | 95 Ų | 95 | 86.6 Ų | 86.6 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -73.1 | -43.2 | 174.4 | -157.1 | 60.7 | -157.9 | 0 | 0 | 111.3 | E680 S681 L682 Y686 K687 E688 | E680-E684 PolarHBondContact O-N 3.31Å; E680-E684 VanDerWaalsContact O-N 3.16Å; S681-E684 PolarHBondContact O-N 3.45Å; L682-E684 VanDerWaalsContact C-N 3.32Å; E684-Y686 VanDerWaalsContact C-N 3.29Å; E684-Y686 PolarHBondContact O-N 3.43Å; E684-K687 WeakPolarHBondContact O-CB 3.4Å; E684-K687 PolarHBondContact O-N 3.41Å; E684-K687 VanDerWaalsContact O-N 3.09Å; E684-K687 IonicContact OE2-NZ 3.33Å; E684-K687 PolarHBondContact OE2-NZ 3.35Å; E684-E688 PolarHBondContact O-N 2.99Å; E684-E688 VanDerWaalsContact O-N 3.12Å |
| 685 | E | 87.7 | Confident | 82.7 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.1 | -42 | 172.3 | -170.8 | -179.8 | 176.4 | 0 | 0 | 111.5 | R467 V471 S681 L682 K687 E688 L689 | R467-E685 IonicContact CZ-OE1 3.28Å; R467-E685 VanDerWaalsContact CZ-OE1 3.26Å; R467-E685 IonicContact NE-OE1 2.66Å; R467-E685 PolarHBondContact NE-OE1 3.42Å; R467-E685 IonicContact NH2-OE1 3.94Å; R467-E685 PolarHBondContact NH2-OE1 3.2Å; R467-E685 IonicContact NH2-OE2 2.76Å; R467-E685 PolarHBondContact NH2-OE2 3.44Å; R467-E685 VanDerWaalsContact NH2-OE2 3.08Å; V471-E685 HydrophobicContact CG2-CG 4.25Å; S681-E685 PolarHBondContact O-N 2.92Å; S681-E685 VanDerWaalsContact O-N 3.08Å; L682-E685 PolarHBondContact O-N 3.39Å; E685-K687 VanDerWaalsContact C-N 3.35Å; E685-K687 PolarHBondContact O-N 3.14Å; E685-E688 PolarHBondContact O-N 3.33Å; E685-L689 HydrophobicContact CG-CD1 3.92Å; E685-L689 HydrophobicContact CG-CG 4.39Å; E685-L689 WeakPolarHBondContact O-CB 3.42Å; E685-L689 VanDerWaalsContact O-CG 3.31Å; E685-L689 WeakPolarHBondContact O-CG 3.31Å; E685-L689 PolarHBondContact O-N 2.9Å |
| 686 | Y | 86.3 | Confident | 83.2 | Confident | 91 Ų | 91 | 88 Ų | 88 | 36% | 0.357 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 175 | 178.5 | -88.4 | 0 | 0 | 0 | 112.5 | L468 V471 I472 L682 E684 H690 | L468-Y686 HydrophobicContact CD1-CD2 3.74Å; L468-Y686 HydrophobicContact CD1-CE2 3.8Å; L468-Y686 HydrophobicContact CD1-CG 4.43Å; L468-Y686 HydrophobicContact CG-CD2 4.42Å; L468-Y686 HydrophobicContact CG-CE2 4.24Å; V471-Y686 HydrophobicContact CG1-CD2 4.5Å; I472-Y686 HydrophobicContact CD1-CE2 4.3Å; I472-Y686 HydrophobicContact CG1-CD2 4.39Å; I472-Y686 HydrophobicContact CG1-CE2 4.03Å; L682-Y686 WeakPolarHBondContact O-CB 3.46Å; L682-Y686 PolarHBondContact O-N 3.45Å; E684-Y686 VanDerWaalsContact C-N 3.29Å; E684-Y686 PolarHBondContact O-N 3.43Å; Y686-H690 VanDerWaalsContact O-CB 3.3Å; Y686-H690 WeakPolarHBondContact O-CB 3.29Å; Y686-H690 PolarHBondContact O-N 2.91Å |
| 687 | K | 85 | Confident | 83.7 | Confident | 106 Ų | 106 | 87.1 Ų | 87.1 | 46% | 0.461 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 178.3 | -69.9 | 175.5 | -160.8 | 155.4 | 0 | 111.7 | A683 E684 E685 R691 | A683-K687 WeakPolarHBondContact O-CG 3.41Å; A683-K687 PolarHBondContact O-N 2.9Å; E684-K687 WeakPolarHBondContact O-CB 3.4Å; E684-K687 PolarHBondContact O-N 3.41Å; E684-K687 VanDerWaalsContact O-N 3.09Å; E684-K687 IonicContact OE2-NZ 3.33Å; E684-K687 PolarHBondContact OE2-NZ 3.35Å; E685-K687 VanDerWaalsContact C-N 3.35Å; E685-K687 PolarHBondContact O-N 3.14Å; K687-R691 WeakPolarHBondContact O-CG 3.43Å; K687-R691 PolarHBondContact O-N 3.08Å; K687-R691 VanDerWaalsContact O-N 3.14Å |
| 688 | E | 85.5 | Confident | 84 | Confident | 121 Ų | 121 | 86 Ų | 86 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.2 | -48.9 | 177.2 | -69.2 | -171.9 | 162.7 | 0 | 0 | 111.5 | E684 E685 H690 R691 T692 | E684-E688 PolarHBondContact O-N 2.99Å; E684-E688 VanDerWaalsContact O-N 3.12Å; E685-E688 PolarHBondContact O-N 3.33Å; E688-H690 VanDerWaalsContact C-N 3.32Å; E688-H690 PolarHBondContact O-N 3.02Å; E688-R691 WeakPolarHBondContact O-CB 3.42Å; E688-R691 PolarHBondContact O-N 2.94Å; E688-R691 VanDerWaalsContact O-N 3.07Å; E688-T692 PolarHBondContact O-N 3.26Å; E688-T692 VanDerWaalsContact O-N 3.15Å; E688-T692 PolarHBondContact O-OG1 2.95Å |
| 689 | L | 86.3 | Confident | 84.4 | Confident | 23 Ų | 23 | 82.2 Ų | 82.2 | 12% | 0.12 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 177.4 | -68 | 169.6 | 0 | 0 | 0 | 112.1 | A464 R467 L468 V471 E685 R691 T692 R693 | A464-L689 HydrophobicContact CB-CD2 4.16Å; R467-L689 HydrophobicContact CB-CD1 4Å; R467-L689 HydrophobicContact CB-CD2 4.11Å; R467-L689 HydrophobicContact CG-CD1 3.56Å; R467-L689 HydrophobicContact CG-CD2 4.13Å; R467-L689 HydrophobicContact CG-CG 4.5Å; L468-L689 HydrophobicContact CD1-CB 3.79Å; V471-L689 HydrophobicContact CG2-CD1 3.96Å; E685-L689 HydrophobicContact CG-CD1 3.92Å; E685-L689 HydrophobicContact CG-CG 4.39Å; E685-L689 WeakPolarHBondContact O-CB 3.42Å; E685-L689 VanDerWaalsContact O-CG 3.31Å; E685-L689 WeakPolarHBondContact O-CG 3.31Å; E685-L689 PolarHBondContact O-N 2.9Å; L689-R691 VanDerWaalsContact C-N 3.3Å; L689-R691 PolarHBondContact O-N 3.18Å; L689-T692 PolarHBondContact O-N 2.79Å; L689-R693 PolarHBondContact O-N 3.44Å |
| 690 | H | 81.6 | Confident | 84.6 | Confident | 52 Ų | 52 | 81.6 Ų | 81.6 | 24% | 0.241 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.3 | -30.1 | 175.9 | -165.2 | -52.8 | 0 | 0 | 0 | 112.5 | Y686 E688 R694 | Y686-H690 VanDerWaalsContact O-CB 3.3Å; Y686-H690 WeakPolarHBondContact O-CB 3.29Å; Y686-H690 PolarHBondContact O-N 2.91Å; E688-H690 VanDerWaalsContact C-N 3.32Å; E688-H690 PolarHBondContact O-N 3.02Å; H690-R694 PolarHBondContact O-N 3.39Å |
| 691 | R | 84.6 | Confident | 84.9 | Confident | 182 Ų | 182 | 79.9 Ų | 79.9 | 69% | 0.687 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67 | -41.9 | 171.4 | -72.8 | 174.4 | 179.8 | -179.4 | 2 | 111 | K687 E688 L689 R694 | K687-R691 WeakPolarHBondContact O-CG 3.43Å; K687-R691 PolarHBondContact O-N 3.08Å; K687-R691 VanDerWaalsContact O-N 3.14Å; E688-R691 WeakPolarHBondContact O-CB 3.42Å; E688-R691 PolarHBondContact O-N 2.94Å; E688-R691 VanDerWaalsContact O-N 3.07Å; L689-R691 VanDerWaalsContact C-N 3.3Å; L689-R691 PolarHBondContact O-N 3.18Å; R691-R694 WeakPolarHBondContact O-CB 3.35Å; R691-R694 PolarHBondContact O-N 3.13Å |
| 692 | T | 82.6 | Confident | 85.1 | Confident | 41 Ų | 41 | 77.7 Ų | 77.7 | 25% | 0.252 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 175.5 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | E460 A464 E688 L689 R694 K695 | E460-T692 HydrophobicContact CB-CG2 4.5Å; A464-T692 HydrophobicContact CB-CG2 3.81Å; E688-T692 PolarHBondContact O-N 3.26Å; E688-T692 VanDerWaalsContact O-N 3.15Å; E688-T692 PolarHBondContact O-OG1 2.95Å; L689-T692 PolarHBondContact O-N 2.79Å; T692-R694 PolarHBondContact O-N 3.3Å; T692-K695 VanDerWaalsContact O-CB 3.23Å; T692-K695 WeakPolarHBondContact O-CB 3.22Å; T692-K695 WeakPolarHBondContact O-CG 3.36Å; T692-K695 PolarHBondContact O-N 3.07Å |
| 693 | R | 82.5 | Confident | 85.3 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 34% | 0.343 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.2 | -32.5 | 175.5 | -166.9 | 178.5 | 102.7 | -164.3 | 2.4 | 113.4 | N465 L689 K695 E696 | N465-R693 VanDerWaalsContact OD1-CD 3.3Å; N465-R693 WeakPolarHBondContact OD1-CD 3.39Å; N465-R693 VanDerWaalsContact OD1-CG 3.3Å; N465-R693 WeakPolarHBondContact OD1-CG 3.41Å; L689-R693 PolarHBondContact O-N 3.44Å; R693-K695 PolarHBondContact O-N 3.39Å; R693-K695 VanDerWaalsContact O-N 3.08Å; R693-E696 VanDerWaalsContact O-CB 3.3Å; R693-E696 WeakPolarHBondContact O-CB 3.42Å; R693-E696 PolarHBondContact O-N 2.87Å |
| 694 | R | 80 | Confident | 85.5 | Confident | 183 Ų | 183 | 83.6 Ų | 83.6 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18 | 176.8 | -69.2 | -179.2 | 178.9 | -176.7 | 0.2 | 113.4 | H690 R691 T692 E696 S697 | H690-R694 PolarHBondContact O-N 3.39Å; R691-R694 WeakPolarHBondContact O-CB 3.35Å; R691-R694 PolarHBondContact O-N 3.13Å; T692-R694 PolarHBondContact O-N 3.3Å; R694-E696 PolarHBondContact O-N 3.19Å; R694-S697 PolarHBondContact O-OG 3.05Å |
| 695 | K | 83.7 | Confident | 85.8 | Confident | 90 Ų | 90 | 81.1 Ų | 81.1 | 39% | 0.391 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -7.6 | 172.3 | -60.7 | -174.7 | -174.9 | -178.7 | 0 | 113.6 | T457 E460 V461 T692 R693 S697 A698 V699 | T457-K695 HydrophobicContact CG2-CB 4.32Å; E460-K695 IonicContact OE2-NZ 2.72Å; E460-K695 PolarHBondContact OE2-NZ 3.29Å; V461-K695 HydrophobicContact CG2-CB 3.97Å; T692-K695 VanDerWaalsContact O-CB 3.23Å; T692-K695 WeakPolarHBondContact O-CB 3.22Å; T692-K695 WeakPolarHBondContact O-CG 3.36Å; T692-K695 PolarHBondContact O-N 3.07Å; R693-K695 PolarHBondContact O-N 3.39Å; R693-K695 VanDerWaalsContact O-N 3.08Å; K695-S697 PolarHBondContact O-N 3.25Å; K695-A698 WeakPolarHBondContact O-CA 3.28Å; K695-A698 VanDerWaalsContact O-CB 3.23Å; K695-A698 WeakPolarHBondContact O-CB 3.15Å; K695-A698 PolarHBondContact O-N 3.26Å; K695-V699 PolarHBondContact O-N 3.34Å; K695-V699 VanDerWaalsContact O-N 3.12Å |
| 696 | E | 84.9 | Confident | 85.9 | Confident | 106 Ų | 106 | 79 Ų | 79 | 50% | 0.495 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.1 | -34.9 | 172.7 | -172.7 | 173.5 | -161.6 | 0 | 0 | 112.2 | V461 R693 R694 A698 V699 T700 | V461-E696 HydrophobicContact CG1-CB 4.36Å; R693-E696 VanDerWaalsContact O-CB 3.3Å; R693-E696 WeakPolarHBondContact O-CB 3.42Å; R693-E696 PolarHBondContact O-N 2.87Å; R694-E696 PolarHBondContact O-N 3.19Å; E696-A698 VanDerWaalsContact C-N 3.29Å; E696-A698 PolarHBondContact O-N 3.01Å; E696-V699 WeakPolarHBondContact O-CB 3.5Å; E696-V699 PolarHBondContact O-N 3.4Å; E696-T700 PolarHBondContact O-N 2.67Å |
| 697 | S | 85.1 | Confident | 86.2 | Confident | 82 Ų | 82 | 77.4 Ų | 77.4 | 57% | 0.573 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.1 | -36.4 | 170.8 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | R694 K695 T700 L701 | R694-S697 PolarHBondContact O-OG 3.05Å; K695-S697 PolarHBondContact O-N 3.25Å; S697-T700 PolarHBondContact O-N 3.24Å; S697-T700 PolarHBondContact O-OG1 3.39Å; S697-L701 PolarHBondContact O-N 2.75Å; S697-L701 VanDerWaalsContact O-N 3.16Å |
| 698 | A | 84.8 | Confident | 86.3 | Confident | 36 Ų | 36 | 78.7 Ų | 78.7 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.5 | -36.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K695 E696 T700 L701 I702 | K695-A698 WeakPolarHBondContact O-CA 3.28Å; K695-A698 VanDerWaalsContact O-CB 3.23Å; K695-A698 WeakPolarHBondContact O-CB 3.15Å; K695-A698 PolarHBondContact O-N 3.26Å; E696-A698 VanDerWaalsContact C-N 3.29Å; E696-A698 PolarHBondContact O-N 3.01Å; A698-T700 PolarHBondContact O-N 2.88Å; A698-L701 PolarHBondContact O-N 2.98Å; A698-I702 VanDerWaalsContact O-CG1 3.26Å; A698-I702 WeakPolarHBondContact O-CG1 3.41Å; A698-I702 PolarHBondContact O-N 3.02Å |
| 699 | V | 88 | Confident | 86.6 | Confident | 15 Ų | 15 | 74.1 Ų | 74.1 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.5 | -50.5 | 173.2 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | L454 T457 E458 V461 K695 E696 L701 I702 Q703 | L454-V699 HydrophobicContact CD1-CG1 3.84Å; T457-V699 HydrophobicContact CG2-CG2 3.75Å; E458-V699 HydrophobicContact CG-CG1 3.6Å; E458-V699 HydrophobicContact CG-CG2 4.11Å; V461-V699 HydrophobicContact CG2-CG2 4.29Å; K695-V699 PolarHBondContact O-N 3.34Å; K695-V699 VanDerWaalsContact O-N 3.12Å; E696-V699 WeakPolarHBondContact O-CB 3.5Å; E696-V699 PolarHBondContact O-N 3.4Å; V699-L701 VanDerWaalsContact C-N 3.29Å; V699-L701 PolarHBondContact O-N 3.14Å; V699-I702 PolarHBondContact O-N 2.88Å; V699-Q703 WeakPolarHBondContact O-CG 3.23Å; V699-Q703 PolarHBondContact O-N 3.32Å |
| 700 | T | 87.3 | Confident | 86.9 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 45% | 0.448 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.3 | -34.7 | 178.7 | 66.6 | 0 | 0 | 0 | 0 | 112.9 | E696 S697 A698 N704 | E696-T700 PolarHBondContact O-N 2.67Å; S697-T700 PolarHBondContact O-N 3.24Å; S697-T700 PolarHBondContact O-OG1 3.39Å; A698-T700 PolarHBondContact O-N 2.88Å; T700-N704 WeakPolarHBondContact O-CB 3.37Å; T700-N704 VanDerWaalsContact O-CG 3.28Å; T700-N704 PolarHBondContact O-N 3.33Å; T700-N704 VanDerWaalsContact O-N 3.1Å; T700-N704 PolarHBondContact O-ND2 3.39Å |
| 701 | L | 87.6 | Confident | 87.2 | Confident | 115 Ų | 115 | 81.3 Ų | 81.3 | 60% | 0.602 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.9 | -46.9 | 176 | -172.3 | 70.9 | 0 | 0 | 0 | 111 | S697 A698 V699 N704 T705 | S697-L701 PolarHBondContact O-N 2.75Å; S697-L701 VanDerWaalsContact O-N 3.16Å; A698-L701 PolarHBondContact O-N 2.98Å; V699-L701 VanDerWaalsContact C-N 3.29Å; V699-L701 PolarHBondContact O-N 3.14Å; L701-N704 WeakPolarHBondContact O-CB 3.45Å; L701-N704 PolarHBondContact O-N 3.42Å; L701-T705 WeakPolarHBondContact O-CG2 3.28Å; L701-T705 PolarHBondContact O-N 3.32Å |
| 702 | I | 89 | Confident | 87.4 | Confident | 24 Ų | 24 | 79.1 Ų | 79.1 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.7 | -46 | 178.5 | -65.1 | 164.6 | 0 | 0 | 0 | 110.3 | Q450 L454 A698 V699 N704 T705 I706 | Q450-I702 HydrophobicContact CB-CG2 4.41Å; L454-I702 HydrophobicContact CB-CG2 3.85Å; L454-I702 HydrophobicContact CD1-CB 4.27Å; L454-I702 HydrophobicContact CD1-CG2 4.09Å; A698-I702 VanDerWaalsContact O-CG1 3.26Å; A698-I702 WeakPolarHBondContact O-CG1 3.41Å; A698-I702 PolarHBondContact O-N 3.02Å; V699-I702 PolarHBondContact O-N 2.88Å; I702-N704 VanDerWaalsContact C-N 3.32Å; I702-N704 PolarHBondContact O-N 3.34Å; I702-T705 WeakPolarHBondContact CA-OG1 3.44Å; I702-T705 PolarHBondContact O-N 3.14Å; I702-T705 PolarHBondContact O-OG1 2.84Å; I702-I706 HydrophobicContact CG2-CD1 3.96Å; I702-I706 HydrophobicContact CG2-CG1 4.45Å; I702-I706 WeakPolarHBondContact O-CG1 3.31Å; I702-I706 PolarHBondContact O-N 3.05Å |
| 703 | Q | 89.9 | Confident | 87.8 | Confident | 79 Ų | 79 | 78.1 Ų | 78.1 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.6 | -44.9 | 175.2 | -71.4 | 175 | -10.8 | 0 | 0 | 111.9 | L454 E458 V699 T705 I706 T707 | L454-Q703 HydrophobicContact CD1-CG 3.62Å; L454-Q703 HydrophobicContact CD2-CG 3.88Å; L454-Q703 HydrophobicContact CG-CG 4.43Å; E458-Q703 PolarHBondContact OE1-NE2 2.96Å; V699-Q703 WeakPolarHBondContact O-CG 3.23Å; V699-Q703 PolarHBondContact O-N 3.32Å; Q703-T705 VanDerWaalsContact C-N 3.34Å; Q703-T705 PolarHBondContact O-N 2.94Å; Q703-I706 PolarHBondContact O-N 3.5Å; Q703-T707 WeakPolarHBondContact O-CG2 3.39Å; Q703-T707 PolarHBondContact O-N 3.05Å |
| 704 | N | 89.2 | Confident | 88.1 | Confident | 93 Ų | 93 | 80.9 Ų | 80.9 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 175.4 | -74.7 | -38.1 | 0 | 0 | 0 | 112.1 | T700 L701 I702 T707 Q708 | T700-N704 WeakPolarHBondContact O-CB 3.37Å; T700-N704 VanDerWaalsContact O-CG 3.28Å; T700-N704 PolarHBondContact O-N 3.33Å; T700-N704 VanDerWaalsContact O-N 3.1Å; T700-N704 PolarHBondContact O-ND2 3.39Å; L701-N704 WeakPolarHBondContact O-CB 3.45Å; L701-N704 PolarHBondContact O-N 3.42Å; I702-N704 VanDerWaalsContact C-N 3.32Å; I702-N704 PolarHBondContact O-N 3.34Å; N704-T707 PolarHBondContact O-N 2.98Å; N704-T707 PolarHBondContact O-OG1 2.84Å; N704-Q708 WeakPolarHBondContact O-CG 3.31Å; N704-Q708 PolarHBondContact O-N 3.24Å; N704-Q708 VanDerWaalsContact O-N 3.13Å |
| 705 | T | 89.8 | Confident | 88.6 | Confident | 43 Ų | 43 | 80.6 Ų | 80.6 | 26% | 0.264 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.8 | 65.7 | 0 | 0 | 0 | 0 | 112.6 | L701 I702 Q703 T707 Q708 L709 | L701-T705 WeakPolarHBondContact O-CG2 3.28Å; L701-T705 PolarHBondContact O-N 3.32Å; I702-T705 WeakPolarHBondContact CA-OG1 3.44Å; I702-T705 PolarHBondContact O-N 3.14Å; I702-T705 PolarHBondContact O-OG1 2.84Å; Q703-T705 VanDerWaalsContact C-N 3.34Å; Q703-T705 PolarHBondContact O-N 2.94Å; T705-T707 PolarHBondContact O-N 2.95Å; T705-Q708 PolarHBondContact O-N 3.46Å; T705-L709 WeakPolarHBondContact O-CG 3.42Å; T705-L709 PolarHBondContact O-N 2.97Å |
| 706 | I | 91.4 | Very high | 88.8 | Confident | 12 Ų | 12 | 77.4 Ų | 77.4 | 6% | 0.062 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.4 | -49.6 | 176.7 | -68.3 | 166 | 0 | 0 | 0 | 110 | Q450 Q451 L454 I702 Q703 Q708 L709 E710 | Q450-I706 HydrophobicContact CB-CD1 4.1Å; Q450-I706 HydrophobicContact CB-CG1 3.62Å; Q451-I706 HydrophobicContact CG-CD1 4.08Å; L454-I706 HydrophobicContact CB-CD1 4.12Å; L454-I706 HydrophobicContact CD2-CD1 3.83Å; I702-I706 HydrophobicContact CG2-CD1 3.96Å; I702-I706 HydrophobicContact CG2-CG1 4.45Å; I702-I706 WeakPolarHBondContact O-CG1 3.31Å; I702-I706 PolarHBondContact O-N 3.05Å; Q703-I706 PolarHBondContact O-N 3.5Å; I706-Q708 VanDerWaalsContact C-N 3.26Å; I706-Q708 PolarHBondContact O-N 3.35Å; I706-L709 PolarHBondContact O-N 3.41Å; I706-L709 VanDerWaalsContact O-N 3.13Å; I706-E710 HydrophobicContact CG2-CG 4.2Å; I706-E710 WeakPolarHBondContact O-CG 3.34Å; I706-E710 PolarHBondContact O-N 3.03Å |
| 707 | T | 90.7 | Very high | 89 | Confident | 59 Ų | 59 | 76 Ų | 76 | 36% | 0.362 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.1 | -30.4 | 179.6 | 63.9 | 0 | 0 | 0 | 0 | 113.5 | Q703 N704 T705 K711 | Q703-T707 WeakPolarHBondContact O-CG2 3.39Å; Q703-T707 PolarHBondContact O-N 3.05Å; N704-T707 PolarHBondContact O-N 2.98Å; N704-T707 PolarHBondContact O-OG1 2.84Å; T705-T707 PolarHBondContact O-N 2.95Å; T707-K711 WeakPolarHBondContact O-CG 3.29Å; T707-K711 PolarHBondContact O-N 3.15Å |
| 708 | Q | 88.9 | Confident | 89.2 | Confident | 133 Ų | 133 | 75.4 Ų | 75.4 | 62% | 0.621 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70.7 | -44.7 | 173.7 | -72.6 | 175.2 | 4.9 | 0 | 0 | 111.5 | N704 T705 I706 K711 R712 | N704-Q708 WeakPolarHBondContact O-CG 3.31Å; N704-Q708 PolarHBondContact O-N 3.24Å; N704-Q708 VanDerWaalsContact O-N 3.13Å; T705-Q708 PolarHBondContact O-N 3.46Å; I706-Q708 VanDerWaalsContact C-N 3.26Å; I706-Q708 PolarHBondContact O-N 3.35Å; Q708-K711 PolarHBondContact O-N 3.13Å; Q708-R712 PolarHBondContact O-N 2.95Å |
| 709 | L | 91.2 | Very high | 89.4 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.131 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.8 | -67.3 | 173.3 | 0 | 0 | 0 | 111.8 | T443 E446 I447 Q450 T705 I706 K711 R712 I713 | T443-L709 HydrophobicContact CG2-CB 4.35Å; T443-L709 HydrophobicContact CG2-CD2 4.04Å; E446-L709 HydrophobicContact CB-CD1 4.28Å; I447-L709 HydrophobicContact CD1-CB 3.81Å; I447-L709 HydrophobicContact CG1-CB 3.5Å; I447-L709 HydrophobicContact CG1-CD1 4.03Å; I447-L709 HydrophobicContact CG1-CG 4.4Å; Q450-L709 HydrophobicContact CG-CD1 4.25Å; T705-L709 WeakPolarHBondContact O-CG 3.42Å; T705-L709 PolarHBondContact O-N 2.97Å; I706-L709 PolarHBondContact O-N 3.41Å; I706-L709 VanDerWaalsContact O-N 3.13Å; L709-K711 PolarHBondContact O-N 3.18Å; L709-R712 WeakPolarHBondContact O-CB 3.43Å; L709-R712 PolarHBondContact O-N 3.14Å; L709-R712 VanDerWaalsContact O-N 3.13Å; L709-I713 PolarHBondContact O-N 3.15Å |
| 710 | E | 91.4 | Very high | 89.5 | Confident | 93 Ų | 93 | 78 Ų | 78 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.8 | -74.4 | 176.4 | 164.7 | 0 | 0 | 112.2 | I447 I706 R712 I713 K714 | I447-E710 HydrophobicContact CD1-CG 3.93Å; I706-E710 HydrophobicContact CG2-CG 4.2Å; I706-E710 WeakPolarHBondContact O-CG 3.34Å; I706-E710 PolarHBondContact O-N 3.03Å; E710-R712 VanDerWaalsContact C-N 3.34Å; E710-R712 PolarHBondContact O-N 3.07Å; E710-I713 PolarHBondContact O-N 2.93Å; E710-K714 PolarHBondContact O-N 2.9Å |
| 711 | K | 88.7 | Confident | 89.5 | Confident | 133 Ų | 133 | 78.9 Ų | 78.9 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 173.5 | -75.2 | 173.9 | -175.2 | 173.1 | 0 | 111.4 | T707 Q708 L709 K714 Y715 | T707-K711 WeakPolarHBondContact O-CG 3.29Å; T707-K711 PolarHBondContact O-N 3.15Å; Q708-K711 PolarHBondContact O-N 3.13Å; L709-K711 PolarHBondContact O-N 3.18Å; K711-K714 WeakPolarHBondContact O-CB 3.18Å; K711-K714 PolarHBondContact O-N 3.43Å; K711-Y715 WeakPolarHBondContact O-CD2 3.25Å; K711-Y715 PolarHBondContact O-N 2.84Å |
| 712 | R | 89.3 | Confident | 89.6 | Confident | 136 Ų | 136 | 76.9 Ų | 76.9 | 51% | 0.513 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.8 | -171.6 | -178.3 | 176.3 | -173.6 | -3.1 | 111.5 | Q708 L709 E710 K714 Y715 M716 | Q708-R712 PolarHBondContact O-N 2.95Å; L709-R712 WeakPolarHBondContact O-CB 3.43Å; L709-R712 PolarHBondContact O-N 3.14Å; L709-R712 VanDerWaalsContact O-N 3.13Å; E710-R712 VanDerWaalsContact C-N 3.34Å; E710-R712 PolarHBondContact O-N 3.07Å; R712-K714 VanDerWaalsContact C-N 3.32Å; R712-K714 PolarHBondContact O-N 3.09Å; R712-Y715 PolarHBondContact O-N 3.04Å; R712-M716 HydrophobicContact CG-CE 4.13Å; R712-M716 HydrophobicContact CG-SD 4.43Å; R712-M716 WeakPolarHBondContact O-CG 3.36Å; R712-M716 PolarHBondContact O-N 2.87Å |
| 713 | I | 90.5 | Very high | 89.4 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 10% | 0.097 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 174.8 | -70.7 | -171.1 | 0 | 0 | 0 | 111.3 | T443 Q444 I447 L709 E710 Y715 M716 L717 | T443-I713 HydrophobicContact CG2-CD1 3.88Å; T443-I713 HydrophobicContact CG2-CG1 3.49Å; T443-I713 VanDerWaalsContact CG2-CG1 3.49Å; Q444-I713 HydrophobicContact CB-CD1 4.38Å; Q444-I713 HydrophobicContact CG-CD1 3.65Å; I447-I713 HydrophobicContact CD1-CD1 3.26Å; I447-I713 HydrophobicContact CD1-CG1 4.03Å; I447-I713 HydrophobicContact CG1-CD1 4.3Å; L709-I713 PolarHBondContact O-N 3.15Å; E710-I713 PolarHBondContact O-N 2.93Å; I713-Y715 VanDerWaalsContact C-N 3.32Å; I713-Y715 PolarHBondContact O-N 3.18Å; I713-M716 HydrophobicContact CB-CE 4.47Å; I713-M716 HydrophobicContact CG1-CE 3.95Å; I713-M716 PolarHBondContact O-N 2.72Å; I713-L717 HydrophobicContact CG2-CD1 3.69Å; I713-L717 HydrophobicContact CG2-CG 4.02Å; I713-L717 WeakPolarHBondContact O-CG 3.32Å; I713-L717 PolarHBondContact O-N 3.45Å |
| 714 | K | 89.8 | Confident | 89.2 | Confident | 149 Ų | 149 | 75.3 Ų | 75.3 | 65% | 0.648 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.6 | -46.1 | 178.2 | -173.3 | 179.1 | -179.8 | 176.8 | 0 | 111.8 | E710 K711 R712 L717 T718 | E710-K714 PolarHBondContact O-N 2.9Å; K711-K714 WeakPolarHBondContact O-CB 3.18Å; K711-K714 PolarHBondContact O-N 3.43Å; R712-K714 VanDerWaalsContact C-N 3.32Å; R712-K714 PolarHBondContact O-N 3.09Å; K714-L717 PolarHBondContact O-N 3.35Å; K714-T718 PolarHBondContact O-N 3.48Å; K714-T718 VanDerWaalsContact O-N 3.14Å; K714-T718 PolarHBondContact O-OG1 2.64Å; K714-T718 VanDerWaalsContact O-OG1 3.04Å |
| 715 | Y | 88.8 | Confident | 89 | Confident | 177 Ų | 177 | 75.9 Ų | 75.9 | 69% | 0.694 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.1 | -42.9 | 176.6 | -69.7 | -64.1 | 0 | 0 | 0 | 112.5 | K711 R712 I713 T718 D719 | K711-Y715 WeakPolarHBondContact O-CD2 3.25Å; K711-Y715 PolarHBondContact O-N 2.84Å; R712-Y715 PolarHBondContact O-N 3.04Å; I713-Y715 VanDerWaalsContact C-N 3.32Å; I713-Y715 PolarHBondContact O-N 3.18Å; Y715-T718 PolarHBondContact O-N 3.16Å; Y715-D719 PolarHBondContact O-N 2.65Å |
| 716 | M | 89.1 | Confident | 88.7 | Confident | 23 Ų | 23 | 81 Ų | 81 | 11% | 0.113 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 177.5 | -66.6 | -175.6 | -59 | 0 | 0 | 112.1 | L436 I440 T443 R712 I713 T718 D719 K720 | L436-M716 WeakPolarHBondContact CD2-O 3.46Å; I440-M716 HydrophobicContact CD1-CB 4.18Å; I440-M716 HydrophobicContact CG1-CB 3.76Å; I440-M716 HydrophobicContact CG1-CE 4.24Å; I440-M716 HydrophobicContact CG1-SD 4.48Å; T443-M716 HydrophobicContact CG2-CE 4.13Å; R712-M716 HydrophobicContact CG-CE 4.13Å; R712-M716 HydrophobicContact CG-SD 4.43Å; R712-M716 WeakPolarHBondContact O-CG 3.36Å; R712-M716 PolarHBondContact O-N 2.87Å; I713-M716 HydrophobicContact CB-CE 4.47Å; I713-M716 HydrophobicContact CG1-CE 3.95Å; I713-M716 PolarHBondContact O-N 2.72Å; M716-T718 PolarHBondContact O-N 3.08Å; M716-D719 PolarHBondContact O-N 2.82Å; M716-K720 WeakPolarHBondContact O-CB 3.43Å; M716-K720 PolarHBondContact O-N 3.01Å |
| 717 | L | 89.3 | Confident | 88.5 | Confident | 78 Ų | 78 | 83.2 Ų | 83.2 | 41% | 0.408 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -39 | 175.7 | -73.9 | 172.5 | 0 | 0 | 0 | 112.2 | I440 I713 K714 K720 E721 | I440-L717 HydrophobicContact CD1-CD2 4.22Å; I440-L717 HydrophobicContact CG2-CD2 4.41Å; I713-L717 HydrophobicContact CG2-CD1 3.69Å; I713-L717 HydrophobicContact CG2-CG 4.02Å; I713-L717 WeakPolarHBondContact O-CG 3.32Å; I713-L717 PolarHBondContact O-N 3.45Å; K714-L717 PolarHBondContact O-N 3.35Å; L717-K720 WeakPolarHBondContact O-CB 3.47Å; L717-K720 PolarHBondContact O-N 3.36Å; L717-E721 PolarHBondContact O-N 3.02Å |
| 718 | T | 89.6 | Confident | 88.5 | Confident | 68 Ų | 68 | 80.9 Ų | 80.9 | 42% | 0.417 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 173.9 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | K714 Y715 M716 E721 N722 | K714-T718 PolarHBondContact O-N 3.48Å; K714-T718 VanDerWaalsContact O-N 3.14Å; K714-T718 PolarHBondContact O-OG1 2.64Å; K714-T718 VanDerWaalsContact O-OG1 3.04Å; Y715-T718 PolarHBondContact O-N 3.16Å; M716-T718 PolarHBondContact O-N 3.08Å; T718-E721 PolarHBondContact O-N 3.4Å; T718-N722 WeakPolarHBondContact O-CB 3.25Å; T718-N722 VanDerWaalsContact O-CG 3.3Å; T718-N722 PolarHBondContact O-N 3.21Å; T718-N722 PolarHBondContact O-ND2 3.3Å |
| 719 | D | 88 | Confident | 88.4 | Confident | 55 Ų | 55 | 81.3 Ų | 81.3 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 175.2 | -165.2 | 37.6 | 0 | 0 | 0 | 111.8 | R432 L436 Y715 M716 N722 T723 | R432-D719 IonicContact CZ-OD2 2.86Å; R432-D719 VanDerWaalsContact NH2-CG 3.32Å; R432-D719 IonicContact NH2-OD1 2.68Å; R432-D719 PolarHBondContact NH2-OD1 3.26Å; R432-D719 IonicContact NH2-OD2 2.71Å; R432-D719 PolarHBondContact NH2-OD2 3.47Å; L436-D719 HydrophobicContact CD1-CB 4.41Å; L436-D719 WeakPolarHBondContact CD1-OD2 3.49Å; Y715-D719 PolarHBondContact O-N 2.65Å; M716-D719 PolarHBondContact O-N 2.82Å; D719-N722 PolarHBondContact O-N 3.43Å; D719-T723 WeakPolarHBondContact O-CB 3.43Å; D719-T723 PolarHBondContact O-N 3.26Å; D719-T723 PolarHBondContact O-OG1 3.49Å |
| 720 | K | 90.1 | Very high | 88.2 | Confident | 51 Ų | 51 | 84.4 Ų | 84.4 | 22% | 0.222 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.2 | -54.1 | 171.7 | -172.4 | -178.6 | 167.7 | 169.2 | 0 | 110.9 | L436 N437 I440 M716 L717 N722 T723 E724 | L436-K720 VanDerWaalsContact CD2-CA 3.43Å; L436-K720 HydrophobicContact CD2-CB 3.39Å; L436-K720 HydrophobicContact CD2-CG 4.04Å; N437-K720 WeakPolarHBondContact OD1-CD 3.45Å; N437-K720 WeakPolarHBondContact OD1-CE 3.32Å; N437-K720 PolarHBondContact OD1-NZ 2.79Å; I440-K720 HydrophobicContact CD1-CB 4.28Å; I440-K720 HydrophobicContact CD1-CD 4.06Å; M716-K720 WeakPolarHBondContact O-CB 3.43Å; M716-K720 PolarHBondContact O-N 3.01Å; L717-K720 WeakPolarHBondContact O-CB 3.47Å; L717-K720 PolarHBondContact O-N 3.36Å; K720-N722 VanDerWaalsContact C-N 3.32Å; K720-N722 PolarHBondContact O-N 3.47Å; K720-T723 PolarHBondContact O-N 3.35Å; K720-T723 VanDerWaalsContact O-N 3.16Å; K720-E724 VanDerWaalsContact CE-CD 3.43Å; K720-E724 WeakPolarHBondContact CE-OE1 3.22Å; K720-E724 WeakPolarHBondContact CE-OE2 3.33Å; K720-E724 HydrophobicContact CG-CG 4.45Å; K720-E724 IonicContact NZ-OE1 2.84Å; K720-E724 WeakPolarHBondContact O-CB 3.2Å; K720-E724 PolarHBondContact O-N 2.97Å |
| 721 | E | 88.3 | Confident | 88.1 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 43% | 0.425 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | -177.4 | -174.8 | 174.1 | -165.5 | 0 | 0 | 111.9 | L717 T718 K725 | L717-E721 PolarHBondContact O-N 3.02Å; T718-E721 PolarHBondContact O-N 3.4Å; E721-K725 HydrophobicContact CG-CD 3.71Å; E721-K725 HydrophobicContact CG-CG 4.2Å; E721-K725 VanDerWaalsContact O-CB 3.28Å; E721-K725 WeakPolarHBondContact O-CB 3.49Å; E721-K725 PolarHBondContact O-N 3.5Å; E721-K725 WeakPolarHBondContact OE1-CE 3.49Å; E721-K725 IonicContact OE1-NZ 3.94Å; E721-K725 PolarHBondContact OE1-NZ 3.44Å |
| 722 | N | 88.9 | Confident | 88.1 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 175.2 | -74.7 | -23.8 | 0 | 0 | 0 | 112.3 | T718 D719 K720 R726 L727 | T718-N722 WeakPolarHBondContact O-CB 3.25Å; T718-N722 VanDerWaalsContact O-CG 3.3Å; T718-N722 PolarHBondContact O-N 3.21Å; T718-N722 PolarHBondContact O-ND2 3.3Å; D719-N722 PolarHBondContact O-N 3.43Å; K720-N722 VanDerWaalsContact C-N 3.32Å; K720-N722 PolarHBondContact O-N 3.47Å; N722-R726 VanDerWaalsContact O-CB 3.22Å; N722-R726 WeakPolarHBondContact O-CB 3.42Å; N722-R726 PolarHBondContact O-N 2.95Å; N722-R726 VanDerWaalsContact O-N 3.15Å; N722-L727 PolarHBondContact O-N 3.06Å |
| 723 | T | 85.3 | Confident | 88.1 | Confident | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.012 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -66.6 | -47.1 | 178.4 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | L429 D719 K720 L727 I728 | L429-T723 HydrophobicContact CD2-CG2 4.3Å; D719-T723 WeakPolarHBondContact O-CB 3.43Å; D719-T723 PolarHBondContact O-N 3.26Å; D719-T723 PolarHBondContact O-OG1 3.49Å; K720-T723 PolarHBondContact O-N 3.35Å; K720-T723 VanDerWaalsContact O-N 3.16Å; T723-L727 PolarHBondContact O-N 3.42Å; T723-I728 HydrophobicContact CG2-CD1 4.43Å; T723-I728 WeakPolarHBondContact O-CG1 3.49Å; T723-I728 PolarHBondContact O-N 3.1Å |
| 724 | E | 85.7 | Confident | 87.9 | Confident | 67 Ų | 67 | 78.5 Ų | 78.5 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | I | π-helix | trans | -67.1 | -57.1 | 179.1 | -79.9 | 176.7 | 173.7 | 0 | 0 | 113 | L433 K720 | L433-E724 HydrophobicContact CD1-CG 3.3Å; L433-E724 HydrophobicContact CG-CG 4.09Å; K720-E724 VanDerWaalsContact CE-CD 3.43Å; K720-E724 WeakPolarHBondContact CE-OE1 3.22Å; K720-E724 WeakPolarHBondContact CE-OE2 3.33Å; K720-E724 HydrophobicContact CG-CG 4.45Å; K720-E724 IonicContact NZ-OE1 2.84Å; K720-E724 WeakPolarHBondContact O-CB 3.2Å; K720-E724 PolarHBondContact O-N 2.97Å |
| 725 | K | 84 | Confident | 87.9 | Confident | 106 Ų | 106 | 72 Ų | 72 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | I | π-helix | trans | -83.5 | -22.7 | -168.2 | -64.4 | -173.3 | -177.4 | 172.1 | 0 | 113.8 | E721 R729 | E721-K725 HydrophobicContact CG-CD 3.71Å; E721-K725 HydrophobicContact CG-CG 4.2Å; E721-K725 VanDerWaalsContact O-CB 3.28Å; E721-K725 WeakPolarHBondContact O-CB 3.49Å; E721-K725 PolarHBondContact O-N 3.5Å; E721-K725 WeakPolarHBondContact OE1-CE 3.49Å; E721-K725 IonicContact OE1-NZ 3.94Å; E721-K725 PolarHBondContact OE1-NZ 3.44Å; K725-R729 WeakPolarHBondContact O-CD 3.5Å |
| 726 | R | 84.2 | Confident | 87.9 | Confident | 149 Ų | 149 | 68.4 Ų | 68.4 | 56% | 0.562 | 33% | 0.334 | S | S | * | . | I | π-helix | trans | -111.7 | -58.6 | -175.5 | -160.9 | -177.7 | 79.2 | 176.7 | 7.7 | 111.8 | N722 N730 | N722-R726 VanDerWaalsContact O-CB 3.22Å; N722-R726 WeakPolarHBondContact O-CB 3.42Å; N722-R726 PolarHBondContact O-N 2.95Å; N722-R726 VanDerWaalsContact O-N 3.15Å; R726-N730 WeakPolarHBondContact O-CB 3.44Å; R726-N730 PolarHBondContact O-N 3.06Å; R726-N730 VanDerWaalsContact O-N 3.13Å; R726-N730 PolarHBondContact O-ND2 3.49Å; R726-N730 PolarHBondContact O-OD1 3.23Å |
| 727 | L | 86.5 | Confident | 87.8 | Confident | 60 Ų | 60 | 73.2 Ų | 73.2 | 31% | 0.314 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -71 | -53.1 | -172 | -61.6 | 177.1 | 0 | 0 | 0 | 111.9 | L429 N722 T723 L731 | L429-L727 HydrophobicContact CD1-CB 3.96Å; L429-L727 HydrophobicContact CD2-CD1 4.27Å; N722-L727 PolarHBondContact O-N 3.06Å; T723-L727 PolarHBondContact O-N 3.42Å; L727-L731 WeakPolarHBondContact O-CB 3.2Å; L727-L731 PolarHBondContact O-N 3.02Å; L727-L731 VanDerWaalsContact O-N 3.13Å |
| 728 | I | 90.2 | Very high | 87.7 | Confident | 10 Ų | 10 | 72.2 Ų | 72.2 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -63.9 | -49.9 | -179 | -68.6 | 173.7 | 0 | 0 | 0 | 110.7 | L429 L433 T723 N730 L731 E732 | L429-I728 HydrophobicContact CB-CD1 4.41Å; L429-I728 HydrophobicContact CB-CG1 3.95Å; L429-I728 HydrophobicContact CD1-CG1 4.24Å; L433-I728 HydrophobicContact CD1-CD1 3.47Å; L433-I728 VanDerWaalsContact CD1-CD1 3.47Å; T723-I728 HydrophobicContact CG2-CD1 4.43Å; T723-I728 WeakPolarHBondContact O-CG1 3.49Å; T723-I728 PolarHBondContact O-N 3.1Å; I728-N730 PolarHBondContact O-N 3.42Å; I728-L731 PolarHBondContact O-N 2.84Å; I728-L731 VanDerWaalsContact O-N 3.15Å; I728-E732 HydrophobicContact CG2-CG 4.12Å; I728-E732 WeakPolarHBondContact CG2-OE1 3.35Å; I728-E732 WeakPolarHBondContact O-CG 3.26Å; I728-E732 PolarHBondContact O-N 3.32Å |
| 729 | R | 87.9 | Confident | 87.6 | Confident | 142 Ų | 142 | 75.2 Ų | 75.2 | 54% | 0.536 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 179.6 | -73.7 | -171.4 | -173.6 | 163.7 | -5 | 113.8 | K725 L731 E732 V733 | K725-R729 WeakPolarHBondContact O-CD 3.5Å; R729-L731 VanDerWaalsContact C-N 3.33Å; R729-E732 PolarHBondContact O-N 3.35Å; R729-V733 VanDerWaalsContact O-CG2 3.3Å; R729-V733 WeakPolarHBondContact O-CG2 3.08Å; R729-V733 PolarHBondContact O-N 2.81Å; R729-V733 VanDerWaalsContact O-N 3.09Å |
| 730 | N | 86.7 | Confident | 87.6 | Confident | 90 Ų | 90 | 74.9 Ų | 74.9 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 178.1 | -71.6 | 0.9 | 0 | 0 | 0 | 110.8 | R726 I728 V733 E734 | R726-N730 WeakPolarHBondContact O-CB 3.44Å; R726-N730 PolarHBondContact O-N 3.06Å; R726-N730 VanDerWaalsContact O-N 3.13Å; R726-N730 PolarHBondContact O-ND2 3.49Å; R726-N730 PolarHBondContact O-OD1 3.23Å; I728-N730 PolarHBondContact O-N 3.42Å; N730-V733 PolarHBondContact O-N 3.01Å; N730-E734 WeakPolarHBondContact O-CG 3.45Å; N730-E734 PolarHBondContact O-N 3.13Å |
| 731 | L | 88.5 | Confident | 87.5 | Confident | 12 Ų | 12 | 75.5 Ų | 75.5 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 179.9 | -159.8 | 70.4 | 0 | 0 | 0 | 112.4 | K422 E425 L426 L429 L727 I728 R729 E734 L735 | K422-L731 HydrophobicContact CD-CD1 3.5Å; E425-L731 HydrophobicContact CB-CD2 3.8Å; L426-L731 HydrophobicContact CB-CD2 3.67Å; L429-L731 HydrophobicContact CD1-CD2 3.99Å; L727-L731 WeakPolarHBondContact O-CB 3.2Å; L727-L731 PolarHBondContact O-N 3.02Å; L727-L731 VanDerWaalsContact O-N 3.13Å; I728-L731 PolarHBondContact O-N 2.84Å; I728-L731 VanDerWaalsContact O-N 3.15Å; R729-L731 VanDerWaalsContact C-N 3.33Å; L731-E734 PolarHBondContact O-N 3.07Å; L731-L735 WeakPolarHBondContact O-CB 3.46Å; L731-L735 WeakPolarHBondContact O-CG 3.3Å; L731-L735 PolarHBondContact O-N 3.21Å |
| 732 | E | 89.6 | Confident | 87.5 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 41% | 0.407 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 172 | -74.9 | 173.7 | 162.4 | 0 | 0 | 111.6 | L426 I728 R729 L735 V736 | L426-E732 HydrophobicContact CD1-CG 3.74Å; I728-E732 HydrophobicContact CG2-CG 4.12Å; I728-E732 WeakPolarHBondContact CG2-OE1 3.35Å; I728-E732 WeakPolarHBondContact O-CG 3.26Å; I728-E732 PolarHBondContact O-N 3.32Å; R729-E732 PolarHBondContact O-N 3.35Å; E732-L735 PolarHBondContact O-N 3.48Å; E732-V736 WeakPolarHBondContact O-CG2 3.35Å; E732-V736 PolarHBondContact O-N 3.06Å |
| 733 | V | 89.1 | Confident | 87.4 | Confident | 83 Ų | 83 | 74.4 Ų | 74.4 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 176 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | R729 N730 L735 V736 Q737 | R729-V733 VanDerWaalsContact O-CG2 3.3Å; R729-V733 WeakPolarHBondContact O-CG2 3.08Å; R729-V733 PolarHBondContact O-N 2.81Å; R729-V733 VanDerWaalsContact O-N 3.09Å; N730-V733 PolarHBondContact O-N 3.01Å; V733-L735 PolarHBondContact O-N 3.26Å; V733-V736 PolarHBondContact O-N 3.32Å; V733-Q737 WeakPolarHBondContact O-CG 3.5Å; V733-Q737 PolarHBondContact O-N 2.97Å; V733-Q737 VanDerWaalsContact O-N 3.14Å |
| 734 | E | 86.9 | Confident | 87.5 | Confident | 74 Ų | 74 | 79.6 Ų | 79.6 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 174.3 | -74.1 | 175 | -159.9 | 0 | 0 | 111.8 | K422 N730 L731 V736 Q737 M738 | K422-E734 WeakPolarHBondContact CE-OE2 3.23Å; K422-E734 IonicContact NZ-OE2 2.75Å; K422-E734 PolarHBondContact NZ-OE2 2.64Å; N730-E734 WeakPolarHBondContact O-CG 3.45Å; N730-E734 PolarHBondContact O-N 3.13Å; L731-E734 PolarHBondContact O-N 3.07Å; E734-V736 PolarHBondContact O-N 3.4Å; E734-Q737 PolarHBondContact O-N 3.49Å; E734-M738 WeakPolarHBondContact O-CB 3.22Å; E734-M738 VanDerWaalsContact O-CG 3.26Å; E734-M738 WeakPolarHBondContact O-CG 3.32Å; E734-M738 PolarHBondContact O-N 2.96Å |
| 735 | L | 89.1 | Confident | 87.5 | Confident | 12 Ų | 12 | 78 Ų | 78 | 6% | 0.063 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.7 | -85.3 | 169.9 | 0 | 0 | 0 | 112.6 | V419 K422 E423 L426 L731 E732 V733 Q737 M738 R739 | V419-L735 HydrophobicContact CG1-CD2 4.15Å; K422-L735 HydrophobicContact CB-CD2 3.51Å; K422-L735 HydrophobicContact CB-CG 3.93Å; E423-L735 HydrophobicContact CG-CD1 4.31Å; E423-L735 HydrophobicContact CG-CD2 3.83Å; L426-L735 HydrophobicContact CB-CD1 4.25Å; L426-L735 HydrophobicContact CD1-CD1 3.53Å; L426-L735 HydrophobicContact CG-CD1 4.48Å; L731-L735 WeakPolarHBondContact O-CB 3.46Å; L731-L735 WeakPolarHBondContact O-CG 3.3Å; L731-L735 PolarHBondContact O-N 3.21Å; E732-L735 PolarHBondContact O-N 3.48Å; V733-L735 PolarHBondContact O-N 3.26Å; L735-Q737 VanDerWaalsContact C-N 3.34Å; L735-M738 PolarHBondContact O-N 2.98Å; L735-R739 WeakPolarHBondContact O-CB 3.44Å; L735-R739 VanDerWaalsContact O-CG 3.29Å; L735-R739 WeakPolarHBondContact O-CG 3.45Å; L735-R739 PolarHBondContact O-N 3.31Å |
| 736 | V | 89.2 | Confident | 87.5 | Confident | 103 Ų | 103 | 74.2 Ų | 74.2 | 62% | 0.624 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.3 | -43.5 | 175.8 | 171 | 0 | 0 | 0 | 0 | 110.8 | E732 V733 E734 A740 | E732-V736 WeakPolarHBondContact O-CG2 3.35Å; E732-V736 PolarHBondContact O-N 3.06Å; V733-V736 PolarHBondContact O-N 3.32Å; E734-V736 PolarHBondContact O-N 3.4Å; V736-A740 WeakPolarHBondContact O-CB 3.26Å; V736-A740 PolarHBondContact O-N 3.4Å; V736-A740 VanDerWaalsContact O-N 3.07Å |
| 737 | Q | 86.9 | Confident | 87.7 | Confident | 124 Ų | 124 | 71 Ų | 71 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.1 | -46 | 177.2 | -69.8 | 174.5 | -7.1 | 0 | 0 | 111.9 | V733 E734 L735 A740 E741 | V733-Q737 WeakPolarHBondContact O-CG 3.5Å; V733-Q737 PolarHBondContact O-N 2.97Å; V733-Q737 VanDerWaalsContact O-N 3.14Å; E734-Q737 PolarHBondContact O-N 3.49Å; L735-Q737 VanDerWaalsContact C-N 3.34Å; Q737-A740 WeakPolarHBondContact O-CB 3.43Å; Q737-A740 PolarHBondContact O-N 3.4Å; Q737-E741 PolarHBondContact O-N 2.64Å; Q737-E741 VanDerWaalsContact O-N 3.11Å |
| 738 | M | 86.3 | Confident | 87.7 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | -179.6 | -68.5 | -71.7 | -177.9 | 0 | 0 | 112.6 | F415 V419 E734 L735 A740 E741 V742 | F415-M738 HydrophobicContact CD1-SD 3.89Å; F415-M738 HydrophobicContact CE1-SD 4.04Å; V419-M738 HydrophobicContact CG2-CB 3.65Å; E734-M738 WeakPolarHBondContact O-CB 3.22Å; E734-M738 VanDerWaalsContact O-CG 3.26Å; E734-M738 WeakPolarHBondContact O-CG 3.32Å; E734-M738 PolarHBondContact O-N 2.96Å; L735-M738 PolarHBondContact O-N 2.98Å; M738-A740 VanDerWaalsContact C-N 3.33Å; M738-E741 WeakPolarHBondContact O-CB 3.49Å; M738-E741 PolarHBondContact O-N 2.95Å; M738-V742 WeakPolarHBondContact O-CG2 3.38Å; M738-V742 PolarHBondContact O-N 3.26Å; M738-V742 VanDerWaalsContact O-N 3.09Å |
| 739 | R | 89 | Confident | 87.5 | Confident | 130 Ų | 130 | 75 Ų | 75 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 173.7 | -75.2 | 177 | 176.8 | -173.4 | 1.7 | 111.6 | V419 E423 L735 E741 V742 D743 | V419-R739 HydrophobicContact CG1-CG 4.02Å; V419-R739 HydrophobicContact CG2-CG 4.15Å; E423-R739 IonicContact OE1-CZ 2.76Å; E423-R739 IonicContact OE1-NE 3Å; E423-R739 PolarHBondContact OE1-NE 2.92Å; E423-R739 IonicContact OE1-NH2 3.2Å; E423-R739 PolarHBondContact OE1-NH2 2.93Å; L735-R739 WeakPolarHBondContact O-CB 3.44Å; L735-R739 VanDerWaalsContact O-CG 3.29Å; L735-R739 WeakPolarHBondContact O-CG 3.45Å; L735-R739 PolarHBondContact O-N 3.31Å; R739-E741 VanDerWaalsContact C-N 3.27Å; R739-E741 PolarHBondContact O-N 3.44Å; R739-V742 WeakPolarHBondContact O-CB 3.49Å; R739-V742 PolarHBondContact O-N 2.8Å; R739-V742 VanDerWaalsContact O-N 3.14Å; R739-D743 PolarHBondContact O-N 3.07Å |
| 740 | A | 88.2 | Confident | 87.5 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 41% | 0.405 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V736 Q737 M738 K744 | V736-A740 WeakPolarHBondContact O-CB 3.26Å; V736-A740 PolarHBondContact O-N 3.4Å; V736-A740 VanDerWaalsContact O-N 3.07Å; Q737-A740 WeakPolarHBondContact O-CB 3.43Å; Q737-A740 PolarHBondContact O-N 3.4Å; M738-A740 VanDerWaalsContact C-N 3.33Å; A740-K744 WeakPolarHBondContact O-CG 3.32Å |
| 741 | E | 87.5 | Confident | 87.6 | Confident | 63 Ų | 63 | 75.9 Ų | 75.9 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 171.9 | -65.9 | -57.7 | 149.4 | 0 | 0 | 112.3 | F415 Q737 M738 R739 D743 K744 Y745 | F415-E741 HydrophobicContact CD1-CB 4.14Å; F415-E741 HydrophobicContact CE1-CB 4.21Å; F415-E741 HydrophobicContact CE1-CG 4.35Å; F415-E741 HydrophobicContact CG-CB 4.38Å; Q737-E741 PolarHBondContact O-N 2.64Å; Q737-E741 VanDerWaalsContact O-N 3.11Å; M738-E741 WeakPolarHBondContact O-CB 3.49Å; M738-E741 PolarHBondContact O-N 2.95Å; R739-E741 VanDerWaalsContact C-N 3.27Å; R739-E741 PolarHBondContact O-N 3.44Å; E741-D743 VanDerWaalsContact C-N 3.3Å; E741-D743 PolarHBondContact O-N 2.99Å; E741-K744 PolarHBondContact O-N 2.86Å; E741-K744 IonicContact OE1-NZ 2.66Å; E741-K744 PolarHBondContact OE1-NZ 3.43Å; E741-K744 WeakPolarHBondContact OE2-CD 3.27Å; E741-K744 WeakPolarHBondContact OE2-CE 3.34Å; E741-K744 IonicContact OE2-NZ 3.67Å; E741-K744 PolarHBondContact OE2-NZ 2.85Å; E741-Y745 WeakPolarHBondContact O-CD2 3.42Å; E741-Y745 VanDerWaalsContact O-CE2 3.26Å; E741-Y745 WeakPolarHBondContact O-CE2 3.04Å |
| 742 | V | 86.9 | Confident | 87.5 | Confident | 24 Ų | 24 | 75.6 Ų | 75.6 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 176.3 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | Q412 F415 V419 M738 R739 K744 Y745 | Q412-V742 HydrophobicContact CG-CG1 4.32Å; F415-V742 HydrophobicContact CB-CG2 3.64Å; V419-V742 HydrophobicContact CG2-CG2 4.15Å; M738-V742 WeakPolarHBondContact O-CG2 3.38Å; M738-V742 PolarHBondContact O-N 3.26Å; M738-V742 VanDerWaalsContact O-N 3.09Å; R739-V742 WeakPolarHBondContact O-CB 3.49Å; R739-V742 PolarHBondContact O-N 2.8Å; R739-V742 VanDerWaalsContact O-N 3.14Å; V742-K744 VanDerWaalsContact C-N 3.25Å; V742-K744 PolarHBondContact O-N 2.93Å; V742-Y745 PolarHBondContact O-N 2.96Å |
| 743 | D | 86.9 | Confident | 87.4 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 63% | 0.631 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67 | -23 | -178.1 | -71.6 | -21.4 | 0 | 0 | 0 | 113.2 | R739 E741 P747 | R739-D743 PolarHBondContact O-N 3.07Å; E741-D743 VanDerWaalsContact C-N 3.3Å; E741-D743 PolarHBondContact O-N 2.99Å; D743-P747 WeakPolarHBondContact O-CD 3.3Å |
| 744 | K | 87.3 | Confident | 87.4 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.1 | -32.7 | 177.4 | -69.3 | 175.1 | -165.9 | 170.6 | 0 | 113.5 | A740 E741 V742 | A740-K744 WeakPolarHBondContact O-CG 3.32Å; E741-K744 PolarHBondContact O-N 2.86Å; E741-K744 IonicContact OE1-NZ 2.66Å; E741-K744 PolarHBondContact OE1-NZ 3.43Å; E741-K744 WeakPolarHBondContact OE2-CD 3.27Å; E741-K744 WeakPolarHBondContact OE2-CE 3.34Å; E741-K744 IonicContact OE2-NZ 3.67Å; E741-K744 PolarHBondContact OE2-NZ 2.85Å; V742-K744 VanDerWaalsContact C-N 3.25Å; V742-K744 PolarHBondContact O-N 2.93Å |
| 745 | Y | 87.2 | Confident | 87.4 | Confident | 32 Ų | 32 | 75.2 Ų | 75.2 | 13% | 0.125 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -76.7 | -30.5 | -175.5 | -64.5 | -78.5 | 0 | 0 | 0 | 112.5 | D408 C411 Q412 F415 E741 V742 R748 I749 | D408-Y745 HydrophobicContact CB-CD1 4.15Å; C411-Y745 HydrophobicContact CB-CD1 4.36Å; C411-Y745 HydrophobicContact CB-CE1 3.74Å; C411-Y745 HydrophobicContact CB-CE2 4.47Å; Q412-Y745 HydrophobicContact CB-CD2 4.37Å; Q412-Y745 HydrophobicContact CB-CG 4.22Å; F415-Y745 AromaticContact CD2-CE2 3.69Å; F415-Y745 HydrophobicContact CD2-CE2 3.69Å; F415-Y745 AromaticContact CE2-CE2 3.98Å; F415-Y745 HydrophobicContact CE2-CE2 3.98Å; F415-Y745 WeakPolarHBondContact CE2-OH 3.38Å; E741-Y745 WeakPolarHBondContact O-CD2 3.42Å; E741-Y745 VanDerWaalsContact O-CE2 3.26Å; E741-Y745 WeakPolarHBondContact O-CE2 3.04Å; V742-Y745 PolarHBondContact O-N 2.96Å; Y745-R748 PolarHBondContact O-N 3.28Å; Y745-I749 VanDerWaalsContact O-CG1 3.26Å; Y745-I749 WeakPolarHBondContact O-CG1 3.34Å; Y745-I749 PolarHBondContact O-N 3.04Å |
| 746 | G | 83.7 | Confident | 87.3 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 28% | 0.278 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -56.1 | -52.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K750 | G746-K750 PolarHBondContact O-N 2.94Å |
| 747 | P | 87.8 | Confident | 87.2 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 174.9 | -24.7 | 34.5 | 0 | 0 | 0 | 113.4 | D743 K750 E751 | D743-P747 WeakPolarHBondContact O-CD 3.3Å; P747-K750 PolarHBondContact O-N 2.88Å; P747-E751 PolarHBondContact O-N 3.04Å |
| 748 | R | 85.9 | Confident | 87.3 | Confident | 128 Ų | 128 | 75 Ų | 75 | 48% | 0.483 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 179.2 | -65.5 | -177.9 | 89.8 | -158.1 | 9.2 | 111.9 | D408 Y745 K750 E751 V752 | D408-R748 IonicContact OD1-NH1 3.3Å; D408-R748 IonicContact OD2-NH1 3.74Å; Y745-R748 PolarHBondContact O-N 3.28Å; R748-K750 VanDerWaalsContact C-N 3.3Å; R748-K750 PolarHBondContact O-N 3.25Å; R748-E751 PolarHBondContact O-N 3.14Å; R748-V752 VanDerWaalsContact O-CG2 3.26Å; R748-V752 WeakPolarHBondContact O-CG2 3.48Å; R748-V752 PolarHBondContact O-N 2.93Å |
| 749 | I | 87.3 | Confident | 87.4 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.6 | -68.3 | 165.3 | 0 | 0 | 0 | 110.7 | D408 K409 Y745 A753 | D408-I749 HydrophobicContact CB-CD1 4.42Å; D408-I749 HydrophobicContact CB-CG1 3.95Å; K409-I749 HydrophobicContact CG-CD1 4.02Å; Y745-I749 VanDerWaalsContact O-CG1 3.26Å; Y745-I749 WeakPolarHBondContact O-CG1 3.34Å; Y745-I749 PolarHBondContact O-N 3.04Å; I749-A753 WeakPolarHBondContact O-CB 3.49Å; I749-A753 PolarHBondContact O-N 3.36Å |
| 750 | K | 87.6 | Confident | 87.3 | Confident | 148 Ų | 148 | 71.4 Ų | 71.4 | 64% | 0.643 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.5 | -47.5 | 176.5 | -73.9 | -175.5 | 179.8 | -177.5 | 0 | 112.2 | G746 P747 R748 V752 A753 D754 | G746-K750 PolarHBondContact O-N 2.94Å; P747-K750 PolarHBondContact O-N 2.88Å; R748-K750 VanDerWaalsContact C-N 3.3Å; R748-K750 PolarHBondContact O-N 3.25Å; K750-V752 VanDerWaalsContact C-N 3.31Å; K750-V752 PolarHBondContact O-N 3.41Å; K750-A753 PolarHBondContact O-N 3.31Å; K750-A753 VanDerWaalsContact O-N 3.15Å; K750-D754 VanDerWaalsContact O-CG 3.25Å; K750-D754 PolarHBondContact O-N 3.14Å |
| 751 | E | 89 | Confident | 87.3 | Confident | 102 Ų | 102 | 73 Ų | 73 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 179.8 | -173.9 | -173.5 | 162.9 | 0 | 0 | 112.2 | P747 R748 R755 | P747-E751 PolarHBondContact O-N 3.04Å; R748-E751 PolarHBondContact O-N 3.14Å; E751-R755 PolarHBondContact O-N 2.91Å |
| 752 | V | 86.4 | Confident | 87.3 | Confident | 5 Ų | 5 | 75.8 Ų | 75.8 | 3% | 0.03 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.4 | -37.5 | 177.7 | -175.7 | 0 | 0 | 0 | 0 | 111 | D401 L404 I405 R748 K750 R755 M756 | D401-V752 HydrophobicContact CB-CG1 3.69Å; L404-V752 HydrophobicContact CD2-CG1 4.19Å; L404-V752 HydrophobicContact CD2-CG2 3.67Å; I405-V752 HydrophobicContact CD1-CB 4.15Å; I405-V752 HydrophobicContact CD1-CG1 3.83Å; I405-V752 HydrophobicContact CG1-CB 3.9Å; I405-V752 HydrophobicContact CG1-CG1 3.63Å; R748-V752 VanDerWaalsContact O-CG2 3.26Å; R748-V752 WeakPolarHBondContact O-CG2 3.48Å; R748-V752 PolarHBondContact O-N 2.93Å; K750-V752 VanDerWaalsContact C-N 3.31Å; K750-V752 PolarHBondContact O-N 3.41Å; V752-R755 PolarHBondContact O-N 3.44Å; V752-M756 HydrophobicContact CG1-CG 4.47Å; V752-M756 WeakPolarHBondContact O-CB 3.26Å; V752-M756 WeakPolarHBondContact O-CG 3.24Å; V752-M756 PolarHBondContact O-N 3.49Å |
| 753 | A | 87.2 | Confident | 87.2 | Confident | 41 Ų | 41 | 74.9 Ų | 74.9 | 34% | 0.339 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I405 I749 K750 M756 S757 | I405-A753 HydrophobicContact CD1-CB 4.18Å; I749-A753 WeakPolarHBondContact O-CB 3.49Å; I749-A753 PolarHBondContact O-N 3.36Å; K750-A753 PolarHBondContact O-N 3.31Å; K750-A753 VanDerWaalsContact O-N 3.15Å; A753-M756 WeakPolarHBondContact O-CB 3.45Å; A753-M756 PolarHBondContact O-N 3.09Å; A753-S757 PolarHBondContact O-N 3.4Å |
| 754 | D | 88.7 | Confident | 87.2 | Confident | 103 Ų | 103 | 72 Ų | 72 | 55% | 0.551 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.7 | -44.7 | 176.2 | -68 | -22.3 | 0 | 0 | 0 | 110.5 | K750 M756 S757 E758 | K750-D754 VanDerWaalsContact O-CG 3.25Å; K750-D754 PolarHBondContact O-N 3.14Å; D754-M756 VanDerWaalsContact C-N 3.33Å; D754-M756 PolarHBondContact O-N 3.21Å; D754-S757 WeakPolarHBondContact O-CB 3.24Å; D754-S757 PolarHBondContact O-N 2.97Å; D754-S757 VanDerWaalsContact O-N 3.13Å; D754-E758 PolarHBondContact O-N 3.35Å |
| 755 | R | 88 | Confident | 87.2 | Confident | 92 Ų | 92 | 71.9 Ų | 71.9 | 35% | 0.347 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 173.8 | -164.4 | -167.4 | -36.4 | 154.8 | 3.7 | 112.5 | D401 E751 V752 S757 E758 R759 | D401-R755 IonicContact OD1-CZ 2.74Å; D401-R755 IonicContact OD1-NH1 3.6Å; D401-R755 PolarHBondContact OD1-NH1 2.91Å; D401-R755 IonicContact OD2-NH1 3.08Å; D401-R755 PolarHBondContact OD2-NH1 2.88Å; E751-R755 PolarHBondContact O-N 2.91Å; V752-R755 PolarHBondContact O-N 3.44Å; R755-S757 VanDerWaalsContact C-N 3.35Å; R755-E758 PolarHBondContact O-N 3.27Å; R755-R759 WeakPolarHBondContact O-CB 3.4Å; R755-R759 PolarHBondContact O-N 3.13Å |
| 756 | M | 85.9 | Confident | 87.1 | Confident | 21 Ų | 21 | 71 Ų | 71 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.5 | -75.1 | -110.1 | -62.4 | 0 | 0 | 112.2 | Q398 D401 Q402 I405 V752 A753 D754 R759 Q760 | Q398-M756 HydrophobicContact CG-SD 3.87Å; Q398-M756 PolarHBondContact NE2-O 3.35Å; Q398-M756 PolarHBondContact OE1-O 3.29Å; D401-M756 HydrophobicContact CB-CG 3.72Å; D401-M756 HydrophobicContact CB-SD 3.71Å; Q402-M756 HydrophobicContact CB-CE 4.01Å; Q402-M756 HydrophobicContact CB-SD 4.2Å; I405-M756 HydrophobicContact CD1-CE 4.29Å; I405-M756 HydrophobicContact CD1-CG 4.3Å; V752-M756 HydrophobicContact CG1-CG 4.47Å; V752-M756 WeakPolarHBondContact O-CB 3.26Å; V752-M756 WeakPolarHBondContact O-CG 3.24Å; V752-M756 PolarHBondContact O-N 3.49Å; A753-M756 WeakPolarHBondContact O-CB 3.45Å; A753-M756 PolarHBondContact O-N 3.09Å; D754-M756 VanDerWaalsContact C-N 3.33Å; D754-M756 PolarHBondContact O-N 3.21Å; M756-R759 PolarHBondContact O-N 3.49Å; M756-Q760 VanDerWaalsContact O-CB 3.26Å; M756-Q760 WeakPolarHBondContact O-CB 3.29Å; M756-Q760 PolarHBondContact O-N 3.49Å |
| 757 | S | 87.8 | Confident | 87 | Confident | 75 Ų | 75 | 73.5 Ų | 73.5 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 176.2 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | A753 D754 R755 R759 Q760 V761 | A753-S757 PolarHBondContact O-N 3.4Å; D754-S757 WeakPolarHBondContact O-CB 3.24Å; D754-S757 PolarHBondContact O-N 2.97Å; D754-S757 VanDerWaalsContact O-N 3.13Å; R755-S757 VanDerWaalsContact C-N 3.35Å; S757-R759 PolarHBondContact O-N 3.29Å; S757-Q760 WeakPolarHBondContact O-CB 3.42Å; S757-Q760 PolarHBondContact O-N 2.89Å; S757-V761 PolarHBondContact O-N 3.31Å |
| 758 | E | 88.6 | Confident | 86.9 | Confident | 138 Ų | 138 | 74.2 Ų | 74.2 | 65% | 0.645 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.4 | -43.2 | 176.4 | -69.4 | 179.9 | 178.9 | 0 | 0 | 112.1 | D754 R755 V761 | D754-E758 PolarHBondContact O-N 3.35Å; R755-E758 PolarHBondContact O-N 3.27Å; E758-V761 PolarHBondContact O-N 3.49Å |
| 759 | R | 88.2 | Confident | 86.8 | Confident | 31 Ų | 31 | 73.4 Ų | 73.4 | 12% | 0.117 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.9 | -34 | 178.1 | -165.2 | -175.2 | -67.3 | 116.8 | -5.5 | 112.1 | L394 E397 D401 R755 M756 S757 V761 K762 I763 | L394-R759 HydrophobicContact CB-CG 4.45Å; L394-R759 HydrophobicContact CD2-CG 3.81Å; L394-R759 VanDerWaalsContact O-CD 3.26Å; L394-R759 WeakPolarHBondContact O-CD 3.25Å; E397-R759 VanDerWaalsContact CB-CZ 3.43Å; E397-R759 PolarHBondContact O-NH1 3.37Å; E397-R759 IonicContact OE2-CZ 3.51Å; E397-R759 VanDerWaalsContact OE2-CZ 3.29Å; E397-R759 IonicContact OE2-NE 3.32Å; E397-R759 PolarHBondContact OE2-NE 3.07Å; E397-R759 IonicContact OE2-NH2 2.7Å; E397-R759 PolarHBondContact OE2-NH2 3.36Å; E397-R759 VanDerWaalsContact OE2-NH2 3.1Å; D401-R759 IonicContact OD2-CZ 3.62Å; D401-R759 IonicContact OD2-NH1 2.74Å; D401-R759 PolarHBondContact OD2-NH1 3.14Å; D401-R759 IonicContact OD2-NH2 3.47Å; D401-R759 PolarHBondContact OD2-NH2 3.09Å; R755-R759 WeakPolarHBondContact O-CB 3.4Å; R755-R759 PolarHBondContact O-N 3.13Å; M756-R759 PolarHBondContact O-N 3.49Å; S757-R759 PolarHBondContact O-N 3.29Å; R759-V761 VanDerWaalsContact C-N 3.26Å; R759-V761 PolarHBondContact O-N 3.23Å; R759-K762 WeakPolarHBondContact O-CB 3.2Å; R759-K762 PolarHBondContact O-N 3.27Å; R759-K762 VanDerWaalsContact O-N 3.09Å; R759-I763 HydrophobicContact CG-CD1 4.44Å; R759-I763 WeakPolarHBondContact O-CG1 3.36Å; R759-I763 PolarHBondContact O-N 3.47Å |
| 760 | Q | 87.5 | Confident | 86.6 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 176.2 | -174.4 | 61.1 | 41.5 | 0 | 0 | 111.9 | M756 S757 K762 I763 V764 | M756-Q760 VanDerWaalsContact O-CB 3.26Å; M756-Q760 WeakPolarHBondContact O-CB 3.29Å; M756-Q760 PolarHBondContact O-N 3.49Å; S757-Q760 WeakPolarHBondContact O-CB 3.42Å; S757-Q760 PolarHBondContact O-N 2.89Å; Q760-K762 VanDerWaalsContact C-N 3.35Å; Q760-K762 PolarHBondContact O-N 2.68Å; Q760-I763 PolarHBondContact O-N 3.5Å; Q760-V764 WeakPolarHBondContact O-CG2 3.18Å; Q760-V764 PolarHBondContact O-N 3.46Å |
| 761 | V | 88.9 | Confident | 86.3 | Confident | 83 Ų | 83 | 68.7 Ų | 68.7 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 174.6 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | S757 E758 R759 I763 V764 E765 | S757-V761 PolarHBondContact O-N 3.31Å; E758-V761 PolarHBondContact O-N 3.49Å; R759-V761 VanDerWaalsContact C-N 3.26Å; R759-V761 PolarHBondContact O-N 3.23Å; V761-I763 VanDerWaalsContact C-N 3.35Å; V761-I763 PolarHBondContact O-N 3.31Å; V761-V764 PolarHBondContact O-N 3.1Å; V761-E765 WeakPolarHBondContact O-CG 3.49Å; V761-E765 PolarHBondContact O-N 3.2Å |
| 762 | K | 86.8 | Confident | 86 | Confident | 120 Ų | 120 | 70.7 Ų | 70.7 | 52% | 0.522 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 177.5 | -61.8 | -178.6 | -178.9 | 176.7 | 0 | 112.8 | L394 R759 Q760 E765 N766 | L394-K762 HydrophobicContact CD1-CB 3.97Å; R759-K762 WeakPolarHBondContact O-CB 3.2Å; R759-K762 PolarHBondContact O-N 3.27Å; R759-K762 VanDerWaalsContact O-N 3.09Å; Q760-K762 VanDerWaalsContact C-N 3.35Å; Q760-K762 PolarHBondContact O-N 2.68Å; K762-E765 PolarHBondContact O-N 3.38Å; K762-N766 PolarHBondContact O-N 3.5Å |
| 763 | I | 85.4 | Confident | 85.8 | Confident | 6 Ų | 6 | 71.7 Ų | 71.7 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.4 | -68.8 | 169.8 | 0 | 0 | 0 | 110 | L391 L394 V395 Q398 R759 Q760 V761 N766 Q767 | L391-I763 HydrophobicContact CD1-CG2 4.36Å; L394-I763 HydrophobicContact CB-CD1 4.34Å; L394-I763 HydrophobicContact CB-CG1 3.73Å; L394-I763 HydrophobicContact CD1-CG1 4.43Å; V395-I763 HydrophobicContact CG2-CD1 4.33Å; V395-I763 HydrophobicContact CG2-CG2 4.34Å; Q398-I763 HydrophobicContact CB-CD1 3.85Å; Q398-I763 HydrophobicContact CG-CD1 3.98Å; R759-I763 HydrophobicContact CG-CD1 4.44Å; R759-I763 WeakPolarHBondContact O-CG1 3.36Å; R759-I763 PolarHBondContact O-N 3.47Å; Q760-I763 PolarHBondContact O-N 3.5Å; V761-I763 VanDerWaalsContact C-N 3.35Å; V761-I763 PolarHBondContact O-N 3.31Å; I763-N766 PolarHBondContact O-N 3.43Å; I763-Q767 WeakPolarHBondContact O-CB 3.26Å; I763-Q767 PolarHBondContact O-N 3.31Å |
| 764 | V | 86.7 | Confident | 85.4 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 35% | 0.352 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.6 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | Q760 V761 N766 Q767 E768 | Q760-V764 WeakPolarHBondContact O-CG2 3.18Å; Q760-V764 PolarHBondContact O-N 3.46Å; V761-V764 PolarHBondContact O-N 3.1Å; V764-N766 PolarHBondContact O-N 3.5Å; V764-Q767 WeakPolarHBondContact O-CB 3.11Å; V764-Q767 PolarHBondContact O-N 3.07Å; V764-E768 HydrophobicContact CG1-CG 4.4Å; V764-E768 WeakPolarHBondContact O-CB 3.44Å; V764-E768 WeakPolarHBondContact O-CG 3.26Å; V764-E768 PolarHBondContact O-N 3.24Å |
| 765 | E | 87.4 | Confident | 85 | Confident | 108 Ų | 108 | 68.1 Ų | 68.1 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 176.8 | -75.3 | 179 | 167 | 0 | 0 | 112.6 | V761 K762 E768 R769 | V761-E765 WeakPolarHBondContact O-CG 3.49Å; V761-E765 PolarHBondContact O-N 3.2Å; K762-E765 PolarHBondContact O-N 3.38Å; E765-E768 PolarHBondContact O-N 3.4Å; E765-R769 WeakPolarHBondContact O-CG 3.26Å; E765-R769 PolarHBondContact O-N 3.05Å |
| 766 | N | 83.8 | Confident | 84.7 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 8% | 0.08 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.6 | -34.5 | 177.9 | -86.5 | -8.6 | 0 | 0 | 0 | 112.5 | I387 E390 L391 K762 I763 V764 R769 M770 | I387-N766 HydrophobicContact CG2-CB 4.01Å; I387-N766 WeakPolarHBondContact CG2-O 3.26Å; E390-N766 PolarHBondContact OE2-ND2 3.29Å; L391-N766 HydrophobicContact CD1-CB 3.87Å; K762-N766 PolarHBondContact O-N 3.5Å; I763-N766 PolarHBondContact O-N 3.43Å; V764-N766 PolarHBondContact O-N 3.5Å; N766-R769 PolarHBondContact O-N 3.45Å; N766-R769 PolarHBondContact OD1-NH1 3.34Å; N766-M770 PolarHBondContact O-N 3.42Å |
| 767 | Q | 82.9 | Confident | 84.4 | Confident | 78 Ų | 78 | 70.6 Ų | 70.6 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 168.8 | -100 | 153.3 | -0.8 | 0 | 0 | 111.4 | L391 I763 V764 R769 M770 D771 | L391-Q767 HydrophobicContact CD1-CB 4.38Å; L391-Q767 HydrophobicContact CD1-CG 3.79Å; I763-Q767 WeakPolarHBondContact O-CB 3.26Å; I763-Q767 PolarHBondContact O-N 3.31Å; V764-Q767 WeakPolarHBondContact O-CB 3.11Å; V764-Q767 PolarHBondContact O-N 3.07Å; Q767-R769 PolarHBondContact O-N 3.45Å; Q767-M770 WeakPolarHBondContact O-CB 3.49Å; Q767-M770 PolarHBondContact O-N 3.47Å; Q767-M770 VanDerWaalsContact O-N 3.08Å; Q767-D771 WeakPolarHBondContact O-CB 3.37Å; Q767-D771 PolarHBondContact O-N 3.33Å |
| 768 | E | 84.7 | Confident | 83.9 | Confident | 98 Ų | 98 | 67.2 Ų | 67.2 | 46% | 0.458 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.8 | -28.8 | 177.5 | -75.2 | -176.7 | 178.7 | 0 | 0 | 113 | V764 E765 R772 | V764-E768 HydrophobicContact CG1-CG 4.4Å; V764-E768 WeakPolarHBondContact O-CB 3.44Å; V764-E768 WeakPolarHBondContact O-CG 3.26Å; V764-E768 PolarHBondContact O-N 3.24Å; E765-E768 PolarHBondContact O-N 3.4Å; E768-R772 WeakPolarHBondContact O-CG 3.46Å; E768-R772 PolarHBondContact O-N 3.29Å; E768-R772 VanDerWaalsContact O-N 3.16Å; E768-R772 PolarHBondContact O-NE 3.14Å; E768-R772 IonicContact OE2-NH2 2.85Å |
| 769 | R | 84.9 | Confident | 83.4 | Confident | 111 Ų | 111 | 62.8 Ų | 62.8 | 42% | 0.419 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.3 | -45.9 | 172.4 | -72 | 171.7 | 67.6 | -163.5 | 3.5 | 111.6 | I387 E390 E765 N766 Q767 D771 R772 V773 | I387-R769 HydrophobicContact CD1-CB 4.04Å; I387-R769 HydrophobicContact CG2-CB 4.47Å; E390-R769 IonicContact OE2-NH1 3.55Å; E765-R769 WeakPolarHBondContact O-CG 3.26Å; E765-R769 PolarHBondContact O-N 3.05Å; N766-R769 PolarHBondContact O-N 3.45Å; N766-R769 PolarHBondContact OD1-NH1 3.34Å; Q767-R769 PolarHBondContact O-N 3.45Å; R769-D771 VanDerWaalsContact C-N 3.29Å; R769-D771 PolarHBondContact O-N 3.42Å; R769-R772 PolarHBondContact O-N 3.16Å; R769-V773 WeakPolarHBondContact O-CG2 3.45Å; R769-V773 PolarHBondContact O-N 3.09Å |
| 770 | M | 81.4 | Confident | 82.9 | Confident | 33 Ų | 33 | 68 Ų | 68 | 16% | 0.163 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 174.3 | -73.2 | -173.4 | 59.6 | 0 | 0 | 111.5 | C384 I387 Q388 N766 Q767 R772 V773 A774 | C384-M770 HydrophobicContact CB-CE 3.96Å; C384-M770 HydrophobicContact CB-CG 4.17Å; I387-M770 HydrophobicContact CB-CG 4.01Å; I387-M770 HydrophobicContact CG2-CG 3.58Å; I387-M770 HydrophobicContact CG2-SD 4.36Å; Q388-M770 HydrophobicContact CB-CE 4.2Å; Q388-M770 HydrophobicContact CB-SD 4.16Å; Q388-M770 HydrophobicContact CG-CE 4.28Å; N766-M770 PolarHBondContact O-N 3.42Å; Q767-M770 WeakPolarHBondContact O-CB 3.49Å; Q767-M770 PolarHBondContact O-N 3.47Å; Q767-M770 VanDerWaalsContact O-N 3.08Å; M770-R772 VanDerWaalsContact C-N 3.34Å; M770-R772 PolarHBondContact O-N 3.22Å; M770-V773 WeakPolarHBondContact O-CB 3.45Å; M770-V773 PolarHBondContact O-N 3.31Å; M770-V773 VanDerWaalsContact O-N 3.11Å; M770-A774 WeakPolarHBondContact O-CB 3.35Å; M770-A774 PolarHBondContact O-N 3.23Å |
| 771 | D | 81.3 | Confident | 82.3 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 178.6 | -81.9 | -11 | 0 | 0 | 0 | 112.7 | Q767 R769 V773 A774 D775 R791 | Q767-D771 WeakPolarHBondContact O-CB 3.37Å; Q767-D771 PolarHBondContact O-N 3.33Å; R769-D771 VanDerWaalsContact C-N 3.29Å; R769-D771 PolarHBondContact O-N 3.42Å; D771-V773 VanDerWaalsContact C-N 3.35Å; D771-A774 PolarHBondContact O-N 3.29Å; D771-D775 WeakPolarHBondContact O-CB 3.09Å; D771-D775 PolarHBondContact O-N 3.31Å; D771-R791 PolarHBondContact O-NH2 3.33Å; D771-R791 VanDerWaalsContact O-NH2 3.16Å; D771-R791 VanDerWaalsContact OD1-CD 3.26Å; D771-R791 WeakPolarHBondContact OD1-CD 3.33Å; D771-R791 IonicContact OD1-CZ 3.61Å; D771-R791 VanDerWaalsContact OD1-CZ 3.28Å; D771-R791 IonicContact OD1-NE 3.42Å; D771-R791 PolarHBondContact OD1-NE 2.85Å; D771-R791 VanDerWaalsContact OD1-NE 3.15Å; D771-R791 IonicContact OD1-NH1 3.32Å; D771-R791 PolarHBondContact OD1-NH1 2.93Å; D771-R791 IonicContact OD1-NH2 2.78Å; D771-R791 IonicContact OD2-CZ 3.88Å; D771-R791 IonicContact OD2-NE 2.64Å; D771-R791 IonicContact OD2-NH1 2.7Å; D771-R791 PolarHBondContact OD2-NH1 2.94Å |
| 772 | R | 84.4 | Confident | 81.3 | Confident | 144 Ų | 144 | 60.6 Ų | 60.6 | 54% | 0.543 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 173.3 | -82.3 | 178.8 | -90.9 | -152.7 | -6.5 | 112.7 | E768 R769 M770 Q776 | E768-R772 WeakPolarHBondContact O-CG 3.46Å; E768-R772 PolarHBondContact O-N 3.29Å; E768-R772 VanDerWaalsContact O-N 3.16Å; E768-R772 PolarHBondContact O-NE 3.14Å; E768-R772 IonicContact OE2-NH2 2.85Å; R769-R772 PolarHBondContact O-N 3.16Å; M770-R772 VanDerWaalsContact C-N 3.34Å; M770-R772 PolarHBondContact O-N 3.22Å; R772-Q776 WeakPolarHBondContact O-CG 3.32Å; R772-Q776 PolarHBondContact O-N 3.19Å |
| 773 | V | 82.3 | Confident | 80.8 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 16% | 0.158 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.6 | -44.3 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | Q383 C384 R769 M770 D771 D775 Q776 V777 | Q383-V773 HydrophobicContact CB-CG1 3.72Å; C384-V773 VanDerWaalsContact SG-CG1 3.59Å; R769-V773 WeakPolarHBondContact O-CG2 3.45Å; R769-V773 PolarHBondContact O-N 3.09Å; M770-V773 WeakPolarHBondContact O-CB 3.45Å; M770-V773 PolarHBondContact O-N 3.31Å; M770-V773 VanDerWaalsContact O-N 3.11Å; D771-V773 VanDerWaalsContact C-N 3.35Å; V773-D775 PolarHBondContact O-N 3.18Å; V773-Q776 PolarHBondContact O-N 2.95Å; V773-V777 HydrophobicContact CG1-CG2 4.42Å; V773-V777 WeakPolarHBondContact O-CG2 3.31Å; V773-V777 PolarHBondContact O-N 2.85Å |
| 774 | A | 77.6 | Confident | 80.2 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 11% | 0.107 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V380 M770 D771 Q776 V777 F778 | V380-A774 HydrophobicContact CG1-CB 4.02Å; V380-A774 HydrophobicContact CG2-CB 4.35Å; M770-A774 WeakPolarHBondContact O-CB 3.35Å; M770-A774 PolarHBondContact O-N 3.23Å; D771-A774 PolarHBondContact O-N 3.29Å; A774-Q776 VanDerWaalsContact C-N 3.29Å; A774-Q776 PolarHBondContact O-N 3.05Å; A774-V777 PolarHBondContact O-N 3.02Å; A774-F778 WeakPolarHBondContact O-CB 3.23Å; A774-F778 WeakPolarHBondContact O-CD2 3.43Å; A774-F778 PolarHBondContact O-N 3.5Å |
| 775 | D | 81 | Confident | 79.3 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -32.5 | 177.8 | -70.2 | -7.2 | 0 | 0 | 0 | 112.1 | D771 V773 A779 N789 R791 | D771-D775 WeakPolarHBondContact O-CB 3.09Å; D771-D775 PolarHBondContact O-N 3.31Å; V773-D775 PolarHBondContact O-N 3.18Å; D775-A779 WeakPolarHBondContact O-CA 3.35Å; D775-A779 WeakPolarHBondContact O-CB 3.39Å; D775-A779 PolarHBondContact O-N 2.98Å; D775-N789 WeakPolarHBondContact OD1-CB 3.26Å; D775-R791 IonicContact OD1-CZ 2.76Å; D775-R791 IonicContact OD1-NE 3.85Å; D775-R791 IonicContact OD1-NH2 3.69Å; D775-R791 PolarHBondContact OD1-NH2 3.48Å; D775-R791 IonicContact OD2-CZ 3.27Å; D775-R791 IonicContact OD2-NH2 3.59Å; D775-R791 PolarHBondContact OD2-NH2 2.88Å |
| 776 | Q | 81.1 | Confident | 78.3 | Confident | 144 Ų | 144 | 58.9 Ų | 58.9 | 67% | 0.673 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -70.8 | -45.6 | 175.1 | -77 | 176.6 | -0 | 0 | 0 | 112.4 | R772 V773 A774 A779 | R772-Q776 WeakPolarHBondContact O-CG 3.32Å; R772-Q776 PolarHBondContact O-N 3.19Å; V773-Q776 PolarHBondContact O-N 2.95Å; A774-Q776 VanDerWaalsContact C-N 3.29Å; A774-Q776 PolarHBondContact O-N 3.05Å; Q776-A779 WeakPolarHBondContact O-CB 3.26Å |
| 777 | V | 79.5 | Confident | 77.5 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.5 | -41.3 | -178.9 | 176 | 0 | 0 | 0 | 0 | 111.1 | L376 E379 V380 V773 A774 A779 | L376-V777 HydrophobicContact CB-CG1 4.22Å; L376-V777 HydrophobicContact CD2-CG1 3.82Å; E379-V777 HydrophobicContact CB-CG1 4.1Å; E379-V777 HydrophobicContact CG-CG1 4.29Å; V380-V777 HydrophobicContact CG2-CB 3.6Å; V380-V777 HydrophobicContact CG2-CG1 3.7Å; V380-V777 HydrophobicContact CG2-CG2 3.99Å; V773-V777 HydrophobicContact CG1-CG2 4.42Å; V773-V777 WeakPolarHBondContact O-CG2 3.31Å; V773-V777 PolarHBondContact O-N 2.85Å; A774-V777 PolarHBondContact O-N 3.02Å; V777-A779 VanDerWaalsContact C-N 3.32Å; V777-A779 PolarHBondContact O-N 3.23Å |
| 778 | F | 78.1 | Confident | 76.9 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 6.3 | 179.4 | -75.3 | -76.6 | 0 | 0 | 0 | 114 | Y373 L376 K377 V380 A774 D780 F781 C782 V790 | Y373-F778 AromaticContact CD2-CE1 3.71Å; Y373-F778 HydrophobicContact CD2-CE1 3.71Å; Y373-F778 HydrophobicContact CD2-CZ 4.04Å; Y373-F778 HydrophobicContact CE2-CE1 4.15Å; Y373-F778 HydrophobicContact CE2-CZ 4.09Å; L376-F778 HydrophobicContact CB-CD1 3.76Å; L376-F778 HydrophobicContact CB-CE1 3.4Å; L376-F778 HydrophobicContact CB-CZ 3.86Å; L376-F778 HydrophobicContact CD1-CD1 3.79Å; L376-F778 HydrophobicContact CD1-CE1 4.07Å; L376-F778 HydrophobicContact CG-CD1 4.42Å; L376-F778 HydrophobicContact CG-CE1 4.4Å; K377-F778 HydrophobicContact CB-CZ 4.02Å; V380-F778 HydrophobicContact CB-CE2 4.44Å; V380-F778 HydrophobicContact CG2-CD2 3.81Å; V380-F778 HydrophobicContact CG2-CE2 3.6Å; A774-F778 WeakPolarHBondContact O-CB 3.23Å; A774-F778 WeakPolarHBondContact O-CD2 3.43Å; A774-F778 PolarHBondContact O-N 3.5Å; F778-D780 PolarHBondContact O-N 3.06Å; F778-F781 HydrophobicContact CD1-CB 4.08Å; F778-F781 AromaticContact CD1-CD1 3.58Å; F778-F781 HydrophobicContact CD1-CD1 3.58Å; F778-F781 HydrophobicContact CD1-CE1 4.4Å; F778-F781 HydrophobicContact CD1-CG 4.15Å; F778-F781 AromaticContact CE1-CD1 3.95Å; F778-F781 HydrophobicContact CE1-CD1 3.95Å; F778-F781 HydrophobicContact CE1-CE1 4.35Å; F778-F781 PolarHBondContact O-N 3.19Å; F778-F781 VanDerWaalsContact O-N 3.15Å; F778-C782 VanDerWaalsContact O-CB 3.23Å; F778-C782 WeakPolarHBondContact O-CB 3.39Å; F778-C782 PolarHBondContact O-N 3.38Å; F778-C782 PolarHBondContact O-SG 3.36Å; F778-V790 HydrophobicContact CB-CB 4.33Å; F778-V790 HydrophobicContact CB-CG2 3.65Å; F778-V790 HydrophobicContact CD1-CG2 3.41Å; F778-V790 VanDerWaalsContact CD1-CG2 3.41Å; F778-V790 HydrophobicContact CD2-CB 3.94Å; F778-V790 HydrophobicContact CD2-CG1 4.17Å; F778-V790 HydrophobicContact CD2-CG2 3.56Å; F778-V790 HydrophobicContact CE1-CG2 3.78Å; F778-V790 HydrophobicContact CE2-CB 4.32Å; F778-V790 HydrophobicContact CE2-CG1 4.07Å; F778-V790 HydrophobicContact CE2-CG2 3.93Å; F778-V790 HydrophobicContact CG-CB 4.08Å; F778-V790 HydrophobicContact CG-CG2 3.27Å; F778-V790 HydrophobicContact CZ-CG1 4.5Å; F778-V790 HydrophobicContact CZ-CG2 4.02Å |
| 779 | A | 77.6 | Confident | 76 | Confident | 45 Ų | 45 | 57.2 Ų | 57.2 | 37% | 0.372 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -53.6 | -50.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D775 Q776 V777 V783 | D775-A779 WeakPolarHBondContact O-CA 3.35Å; D775-A779 WeakPolarHBondContact O-CB 3.39Å; D775-A779 PolarHBondContact O-N 2.98Å; Q776-A779 WeakPolarHBondContact O-CB 3.26Å; V777-A779 VanDerWaalsContact C-N 3.32Å; V777-A779 PolarHBondContact O-N 3.23Å; A779-V783 WeakPolarHBondContact O-CG2 3.5Å; A779-V783 PolarHBondContact O-N 2.96Å |
| 780 | D | 77.2 | Confident | 75.3 | Confident | 139 Ų | 139 | 52.4 Ų | 52.4 | 74% | 0.743 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -70.2 | -34.1 | -179.2 | -67.1 | -25.4 | 0 | 0 | 0 | 112.2 | F778 V783 S784 | F778-D780 PolarHBondContact O-N 3.06Å; D780-V783 PolarHBondContact O-N 3.39Å; D780-S784 PolarHBondContact O-N 2.92Å; D780-S784 VanDerWaalsContact O-N 3.08Å |
| 781 | F | 74.5 | Confident | 74.8 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75 | -37.2 | 178.8 | -171.4 | -110.5 | 0 | 0 | 0 | 112.9 | L365 Q369 E372 Y373 L376 F778 V783 S784 I785 | L365-F781 HydrophobicContact CD2-CE1 4.45Å; L365-F781 HydrophobicContact CD2-CE2 4.48Å; L365-F781 HydrophobicContact CD2-CZ 3.66Å; Q369-F781 HydrophobicContact CB-CE2 4.16Å; Q369-F781 HydrophobicContact CB-CZ 4.41Å; Q369-F781 WeakPolarHBondContact O-CE2 3.15Å; Q369-F781 WeakPolarHBondContact O-CZ 3.34Å; E372-F781 HydrophobicContact CB-CD2 4.37Å; E372-F781 HydrophobicContact CB-CE2 4.08Å; E372-F781 HydrophobicContact CG-CD2 3.93Å; E372-F781 HydrophobicContact CG-CE2 4.16Å; Y373-F781 AromaticContact CD2-CE1 3.71Å; Y373-F781 HydrophobicContact CD2-CE1 3.71Å; Y373-F781 HydrophobicContact CD2-CZ 4.38Å; Y373-F781 HydrophobicContact CG-CE1 4.19Å; Y373-F781 HydrophobicContact CG-CZ 4.43Å; L376-F781 HydrophobicContact CD1-CB 3.37Å; L376-F781 HydrophobicContact CD1-CD1 4.3Å; L376-F781 HydrophobicContact CD1-CD2 4.01Å; L376-F781 HydrophobicContact CD1-CG 3.66Å; F778-F781 HydrophobicContact CD1-CB 4.08Å; F778-F781 AromaticContact CD1-CD1 3.58Å; F778-F781 HydrophobicContact CD1-CD1 3.58Å; F778-F781 HydrophobicContact CD1-CE1 4.4Å; F778-F781 HydrophobicContact CD1-CG 4.15Å; F778-F781 AromaticContact CE1-CD1 3.95Å; F778-F781 HydrophobicContact CE1-CD1 3.95Å; F778-F781 HydrophobicContact CE1-CE1 4.35Å; F778-F781 PolarHBondContact O-N 3.19Å; F778-F781 VanDerWaalsContact O-N 3.15Å; F781-V783 PolarHBondContact O-N 3.5Å; F781-S784 PolarHBondContact O-N 3.49Å; F781-S784 VanDerWaalsContact O-N 3.08Å; F781-S784 PolarHBondContact O-OG 2.99Å; F781-I785 HydrophobicContact CD1-CD1 3.37Å; F781-I785 HydrophobicContact CD1-CG1 4.19Å; F781-I785 HydrophobicContact CD2-CD1 4.47Å; F781-I785 HydrophobicContact CD2-CG1 4.5Å; F781-I785 HydrophobicContact CE1-CD1 2.97Å; F781-I785 HydrophobicContact CE1-CG1 3.9Å; F781-I785 HydrophobicContact CE2-CD1 4.14Å; F781-I785 HydrophobicContact CE2-CG1 4.17Å; F781-I785 HydrophobicContact CG-CD1 4.12Å; F781-I785 HydrophobicContact CG-CG1 4.49Å; F781-I785 HydrophobicContact CZ-CD1 3.38Å; F781-I785 HydrophobicContact CZ-CG1 3.84Å; F781-I785 WeakPolarHBondContact O-CG1 3.5Å; F781-I785 PolarHBondContact O-N 3.11Å |
| 782 | C | 69.8 | Low | 74.2 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 172 | -75.5 | 0 | 0 | 0 | 0 | 110.5 | F778 G786 V787 | F778-C782 VanDerWaalsContact O-CB 3.23Å; F778-C782 WeakPolarHBondContact O-CB 3.39Å; F778-C782 PolarHBondContact O-N 3.38Å; F778-C782 PolarHBondContact O-SG 3.36Å; C782-G786 WeakPolarHBondContact O-CA 3.39Å; C782-G786 PolarHBondContact O-N 2.8Å; C782-V787 CarbonylContact C-O 3.55Å; C782-V787 VanDerWaalsContact CB-O 3.22Å; C782-V787 WeakPolarHBondContact CB-O 3.49Å; C782-V787 PolarHBondContact O-N 3.4Å; C782-V787 VanDerWaalsContact O-O 3.08Å |
| 783 | V | 76.3 | Confident | 73.3 | Confident | 121 Ų | 121 | 53 Ų | 53 | 73% | 0.733 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.3 | -38.1 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 111.6 | A779 D780 F781 | A779-V783 WeakPolarHBondContact O-CG2 3.5Å; A779-V783 PolarHBondContact O-N 2.96Å; D780-V783 PolarHBondContact O-N 3.39Å; F781-V783 PolarHBondContact O-N 3.5Å |
| 784 | S | 71.4 | Confident | 72.5 | Confident | 63 Ų | 63 | 55 Ų | 55 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.9 | -38.3 | -178.9 | 82.5 | 0 | 0 | 0 | 0 | 113.7 | D780 F781 | D780-S784 PolarHBondContact O-N 2.92Å; D780-S784 VanDerWaalsContact O-N 3.08Å; F781-S784 PolarHBondContact O-N 3.49Å; F781-S784 VanDerWaalsContact O-N 3.08Å; F781-S784 PolarHBondContact O-OG 2.99Å |
| 785 | I | 67.9 | Low | 71.8 | Confident | 19 Ų | 19 | 60 Ų | 60 | 10% | 0.097 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -85.1 | -19.9 | 177 | -44.8 | 158.4 | 0 | 0 | 0 | 111.5 | R363 L365 F781 V787 | R363-I785 PolarHBondContact NH1-O 3.35Å; L365-I785 HydrophobicContact CD2-CD1 4.12Å; L365-I785 HydrophobicContact CD2-CG1 4.18Å; F781-I785 HydrophobicContact CD1-CD1 3.37Å; F781-I785 HydrophobicContact CD1-CG1 4.19Å; F781-I785 HydrophobicContact CD2-CD1 4.47Å; F781-I785 HydrophobicContact CD2-CG1 4.5Å; F781-I785 HydrophobicContact CE1-CD1 2.97Å; F781-I785 HydrophobicContact CE1-CG1 3.9Å; F781-I785 HydrophobicContact CE2-CD1 4.14Å; F781-I785 HydrophobicContact CE2-CG1 4.17Å; F781-I785 HydrophobicContact CG-CD1 4.12Å; F781-I785 HydrophobicContact CG-CG1 4.49Å; F781-I785 HydrophobicContact CZ-CD1 3.38Å; F781-I785 HydrophobicContact CZ-CG1 3.84Å; F781-I785 WeakPolarHBondContact O-CG1 3.5Å; F781-I785 PolarHBondContact O-N 3.11Å; I785-V787 HydrophobicContact CB-CG2 3.87Å; I785-V787 HydrophobicContact CD1-CG2 4.4Å; I785-V787 HydrophobicContact CG2-CG2 3.81Å |
| 786 | G | 67.3 | Low | 70.7 | Confident | 53 Ų | 53 | 64 Ų | 64 | 55% | 0.546 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 44.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | R363 C782 | R363-G786 PolarHBondContact NH1-O 3.5Å; C782-G786 WeakPolarHBondContact O-CA 3.39Å; C782-G786 PolarHBondContact O-N 2.8Å |
| 787 | V | 65.8 | Low | 69.7 | Low | 27 Ų | 27 | 63.3 Ų | 63.3 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | trans | -117 | 144.3 | 169.9 | -142.4 | 0 | 0 | 0 | 0 | 107.5 | C782 I785 N789 Q792 | C782-V787 CarbonylContact C-O 3.55Å; C782-V787 VanDerWaalsContact CB-O 3.22Å; C782-V787 WeakPolarHBondContact CB-O 3.49Å; C782-V787 PolarHBondContact O-N 3.4Å; C782-V787 VanDerWaalsContact O-O 3.08Å; I785-V787 HydrophobicContact CB-CG2 3.87Å; I785-V787 HydrophobicContact CD1-CG2 4.4Å; I785-V787 HydrophobicContact CG2-CG2 3.81Å; V787-N789 VanDerWaalsContact C-N 3.28Å; V787-N789 PolarHBondContact O-N 3.4Å; V787-Q792 HydrophobicContact CG1-CB 3.47Å; V787-Q792 VanDerWaalsContact CG1-CB 3.47Å | ||
| 788 | S | 70.9 | Confident | 68.7 | Low | 83 Ų | 83 | 66.7 Ų | 66.7 | 58% | 0.58 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -70.1 | -28 | -176.7 | 49.7 | 0 | 0 | 0 | 0 | 113.2 | Q792 | S788-Q792 VanDerWaalsContact OG-CD 3.31Å; S788-Q792 PolarHBondContact OG-NE2 3.07Å; S788-Q792 PolarHBondContact OG-OE1 3.28Å; S788-Q792 VanDerWaalsContact OG-OE1 3.14Å |
| 789 | N | 66.6 | Low | 67.7 | Low | 46 Ų | 46 | 74.7 Ų | 74.7 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -164.6 | 151.4 | -177.7 | 11.5 | 15 | 0 | 0 | 0 | 109 | D775 V787 R791 Q792 | D775-N789 WeakPolarHBondContact OD1-CB 3.26Å; V787-N789 VanDerWaalsContact C-N 3.28Å; V787-N789 PolarHBondContact O-N 3.4Å; N789-R791 PolarHBondContact O-N 2.8Å; N789-R791 VanDerWaalsContact O-N 3.12Å; N789-Q792 PolarHBondContact O-N 3.41Å; N789-Q792 VanDerWaalsContact O-N 3.09Å |
| 790 | V | 69 | Low | 66.8 | Low | 10 Ų | 10 | 76.9 Ų | 76.9 | 6% | 0.061 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.7 | -28.4 | -173.7 | 141.1 | 0 | 0 | 0 | 0 | 113.7 | F778 Q792 Y793 E794 | F778-V790 HydrophobicContact CB-CB 4.33Å; F778-V790 HydrophobicContact CB-CG2 3.65Å; F778-V790 HydrophobicContact CD1-CG2 3.41Å; F778-V790 VanDerWaalsContact CD1-CG2 3.41Å; F778-V790 HydrophobicContact CD2-CB 3.94Å; F778-V790 HydrophobicContact CD2-CG1 4.17Å; F778-V790 HydrophobicContact CD2-CG2 3.56Å; F778-V790 HydrophobicContact CE1-CG2 3.78Å; F778-V790 HydrophobicContact CE2-CB 4.32Å; F778-V790 HydrophobicContact CE2-CG1 4.07Å; F778-V790 HydrophobicContact CE2-CG2 3.93Å; F778-V790 HydrophobicContact CG-CB 4.08Å; F778-V790 HydrophobicContact CG-CG2 3.27Å; F778-V790 HydrophobicContact CZ-CG1 4.5Å; F778-V790 HydrophobicContact CZ-CG2 4.02Å; V790-Q792 VanDerWaalsContact C-N 3.28Å; V790-Q792 PolarHBondContact O-N 3.45Å; V790-Y793 WeakPolarHBondContact O-CB 3.44Å; V790-Y793 PolarHBondContact O-N 2.73Å; V790-E794 HydrophobicContact CG1-CG 4.16Å; V790-E794 PolarHBondContact O-N 3.4Å |
| 791 | R | 71.4 | Confident | 66 | Low | 71 Ų | 71 | 77.6 Ų | 77.6 | 27% | 0.268 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.3 | -34.7 | 176.7 | -81 | 165.2 | -86.9 | 163.1 | -0.1 | 113.4 | D771 D775 N789 Y793 E794 E795 | D771-R791 PolarHBondContact O-NH2 3.33Å; D771-R791 VanDerWaalsContact O-NH2 3.16Å; D771-R791 VanDerWaalsContact OD1-CD 3.26Å; D771-R791 WeakPolarHBondContact OD1-CD 3.33Å; D771-R791 IonicContact OD1-CZ 3.61Å; D771-R791 VanDerWaalsContact OD1-CZ 3.28Å; D771-R791 IonicContact OD1-NE 3.42Å; D771-R791 PolarHBondContact OD1-NE 2.85Å; D771-R791 VanDerWaalsContact OD1-NE 3.15Å; D771-R791 IonicContact OD1-NH1 3.32Å; D771-R791 PolarHBondContact OD1-NH1 2.93Å; D771-R791 IonicContact OD1-NH2 2.78Å; D771-R791 IonicContact OD2-CZ 3.88Å; D771-R791 IonicContact OD2-NE 2.64Å; D771-R791 IonicContact OD2-NH1 2.7Å; D771-R791 PolarHBondContact OD2-NH1 2.94Å; D775-R791 IonicContact OD1-CZ 2.76Å; D775-R791 IonicContact OD1-NE 3.85Å; D775-R791 IonicContact OD1-NH2 3.69Å; D775-R791 PolarHBondContact OD1-NH2 3.48Å; D775-R791 IonicContact OD2-CZ 3.27Å; D775-R791 IonicContact OD2-NH2 3.59Å; D775-R791 PolarHBondContact OD2-NH2 2.88Å; N789-R791 PolarHBondContact O-N 2.8Å; N789-R791 VanDerWaalsContact O-N 3.12Å; R791-Y793 PolarHBondContact O-N 2.96Å; R791-E794 PolarHBondContact O-N 2.87Å; R791-E795 VanDerWaalsContact O-CB 3.32Å; R791-E795 WeakPolarHBondContact O-CB 3.47Å; R791-E795 PolarHBondContact O-N 2.96Å |
| 792 | Q | 67.7 | Low | 65.5 | Low | 92 Ų | 92 | 84 Ų | 84 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.4 | -32 | 175.5 | -89.4 | -170.7 | -5.9 | 0 | 0 | 112.5 | V787 S788 N789 V790 Q796 | V787-Q792 HydrophobicContact CG1-CB 3.47Å; V787-Q792 VanDerWaalsContact CG1-CB 3.47Å; S788-Q792 VanDerWaalsContact OG-CD 3.31Å; S788-Q792 PolarHBondContact OG-NE2 3.07Å; S788-Q792 PolarHBondContact OG-OE1 3.28Å; S788-Q792 VanDerWaalsContact OG-OE1 3.14Å; N789-Q792 PolarHBondContact O-N 3.41Å; N789-Q792 VanDerWaalsContact O-N 3.09Å; V790-Q792 VanDerWaalsContact C-N 3.28Å; V790-Q792 PolarHBondContact O-N 3.45Å; Q792-Q796 WeakPolarHBondContact O-CG 3.42Å |
| 793 | Y | 66.7 | Low | 65.4 | Low | 67 Ų | 67 | 87 Ų | 87 | 26% | 0.263 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -75.9 | -42.2 | 175.5 | 178 | -100.7 | 0 | 0 | 0 | 111.3 | L365 Y373 V790 R791 | L365-Y793 HydrophobicContact CD1-CE1 3.96Å; L365-Y793 HydrophobicContact CD1-CE2 3.83Å; L365-Y793 WeakPolarHBondContact CD1-OH 3.39Å; Y373-Y793 HydrophobicContact CE2-CD1 4.37Å; V790-Y793 WeakPolarHBondContact O-CB 3.44Å; V790-Y793 PolarHBondContact O-N 2.73Å; R791-Y793 PolarHBondContact O-N 2.96Å |
| 794 | E | 65.1 | Low | 64.8 | Low | 68 Ų | 68 | 84.1 Ų | 84.1 | 32% | 0.318 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -76 | -38 | -177.4 | -66.6 | -170.8 | 154.6 | 0 | 0 | 114.3 | Y373 K377 V790 R791 Q796 | Y373-E794 PolarHBondContact OH-OE1 3.28Å; K377-E794 IonicContact NZ-OE1 3.01Å; K377-E794 PolarHBondContact NZ-OE1 3.16Å; V790-E794 HydrophobicContact CG1-CG 4.16Å; V790-E794 PolarHBondContact O-N 3.4Å; R791-E794 PolarHBondContact O-N 2.87Å; E794-Q796 VanDerWaalsContact C-N 3.35Å; E794-Q796 PolarHBondContact O-N 3.48Å |
| 795 | E | 62.3 | Low | 64.8 | Low | 119 Ų | 119 | 90.7 Ų | 90.7 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68 | -32.4 | -177.4 | -85.1 | -169.1 | 131.9 | 0 | 0 | 113.3 | R791 | R791-E795 VanDerWaalsContact O-CB 3.32Å; R791-E795 WeakPolarHBondContact O-CB 3.47Å; R791-E795 PolarHBondContact O-N 2.96Å |
| 796 | Q | 58.4 | Low | 65 | Low | 141 Ų | 141 | 96.2 Ų | 96.2 | 66% | 0.659 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -76.5 | -35.3 | -172 | -75.2 | -173.1 | -12.4 | 0 | 0 | 113.3 | Q792 E794 | Q792-Q796 WeakPolarHBondContact O-CG 3.42Å; E794-Q796 VanDerWaalsContact C-N 3.35Å; E794-Q796 PolarHBondContact O-N 3.48Å |
| 797 | E | 60.4 | Low | 65.3 | Low | 129 Ų | 129 | 98.1 Ų | 98.1 | 60% | 0.603 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -94.1 | -44.9 | -172.4 | -79.4 | -112.4 | 136.9 | 0 | 0 | 113.8 | ||
| 798 | V | 57.9 | Low | 65.8 | Low | 93 Ų | 93 | 98.4 Ų | 98.4 | 56% | 0.564 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -87.2 | -44.3 | -164.6 | -177.2 | 0 | 0 | 0 | 0 | 113.2 | L800 | V798-L800 VanDerWaalsContact C-N 3.35Å; V798-L800 PolarHBondContact O-N 3.44Å |
| 799 | R | 58.2 | Low | 66.1 | Low | 171 Ų | 171 | 100.3 Ų | 100.3 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -70.5 | -33.7 | -172.7 | -150 | 177.7 | -166.2 | 175 | 3.8 | 112.3 | Q801 Q802 V803 | R799-Q801 PolarHBondContact O-N 3.13Å; R799-Q802 PolarHBondContact O-N 3.03Å; R799-V803 PolarHBondContact O-N 2.92Å |
| 800 | L | 57.3 | Low | 66.7 | Low | 91 Ų | 91 | 103.8 Ų | 103.8 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67 | -34.6 | -177.9 | -124.2 | 153 | 0 | 0 | 0 | 112.2 | V798 K804 | V798-L800 VanDerWaalsContact C-N 3.35Å; V798-L800 PolarHBondContact O-N 3.44Å; L800-K804 HydrophobicContact CD2-CD 4.01Å; L800-K804 VanDerWaalsContact CD2-CE 3.42Å; L800-K804 WeakPolarHBondContact O-CG 3.48Å |
| 801 | Q | 60.8 | Low | 67.4 | Low | 155 Ų | 155 | 104.1 Ų | 104.1 | 72% | 0.724 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73.4 | -37.4 | 176.4 | -77.2 | -169.1 | -4.9 | 0 | 0 | 113.3 | R799 R805 | R799-Q801 PolarHBondContact O-N 3.13Å; Q801-R805 PolarHBondContact O-N 3.15Å |
| 802 | Q | 64 | Low | 67.8 | Low | 136 Ų | 136 | 103.7 Ų | 103.7 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.4 | -48 | -176.8 | -79.5 | -176.8 | -23.4 | 0 | 0 | 113 | R799 K804 R805 Q806 | R799-Q802 PolarHBondContact O-N 3.03Å; Q802-K804 PolarHBondContact O-N 2.86Å; Q802-R805 PolarHBondContact O-N 2.97Å; Q802-Q806 PolarHBondContact O-N 3.39Å |
| 803 | V | 67.6 | Low | 68.3 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 44% | 0.442 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | -177.1 | 175 | 0 | 0 | 0 | 0 | 111.4 | R799 R805 Q806 Q807 | R799-V803 PolarHBondContact O-N 2.92Å; V803-R805 VanDerWaalsContact C-N 3.27Å; V803-R805 PolarHBondContact O-N 3.36Å; V803-Q806 PolarHBondContact O-N 3.24Å; V803-Q807 PolarHBondContact O-N 3.41Å |
| 804 | K | 65 | Low | 69.1 | Low | 60 Ų | 60 | 105.1 Ų | 105.1 | 26% | 0.261 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 179.5 | -76.4 | -179.9 | 170.2 | 177.7 | 0 | 112.4 | L354 E357 L800 Q802 L808 | L354-K804 HydrophobicContact CD1-CB 3.89Å; L354-K804 HydrophobicContact CD1-CD 3.97Å; L354-K804 HydrophobicContact CD1-CG 4.32Å; E357-K804 IonicContact OE2-NZ 3.5Å; E357-K804 PolarHBondContact OE2-NZ 2.76Å; L800-K804 HydrophobicContact CD2-CD 4.01Å; L800-K804 VanDerWaalsContact CD2-CE 3.42Å; L800-K804 WeakPolarHBondContact O-CG 3.48Å; Q802-K804 PolarHBondContact O-N 2.86Å; K804-L808 PolarHBondContact O-N 3.37Å |
| 805 | R | 70.1 | Confident | 70.1 | Confident | 201 Ų | 201 | 102.5 Ų | 102.5 | 76% | 0.758 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -71.8 | -32.1 | 179.8 | -141.1 | 176.3 | -166.6 | 172.2 | 4.2 | 112.7 | Q801 Q802 V803 M809 | Q801-R805 PolarHBondContact O-N 3.15Å; Q802-R805 PolarHBondContact O-N 2.97Å; V803-R805 VanDerWaalsContact C-N 3.27Å; V803-R805 PolarHBondContact O-N 3.36Å; R805-M809 PolarHBondContact O-N 3.31Å |
| 806 | Q | 73.2 | Confident | 71.1 | Confident | 134 Ų | 134 | 102.7 Ų | 102.7 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -72.5 | -40.4 | -179.5 | -156.2 | 165.5 | 7.9 | 0 | 0 | 111.7 | Q802 V803 L808 M809 E810 | Q802-Q806 PolarHBondContact O-N 3.39Å; V803-Q806 PolarHBondContact O-N 3.24Å; Q806-L808 PolarHBondContact O-N 3.26Å; Q806-M809 PolarHBondContact O-N 3.03Å; Q806-E810 PolarHBondContact O-N 3.05Å |
| 807 | Q | 73.2 | Confident | 72.3 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 44% | 0.435 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 177 | -70.2 | -179.3 | -17.7 | 0 | 0 | 113.2 | V803 M809 E810 N811 | V803-Q807 PolarHBondContact O-N 3.41Å; Q807-M809 VanDerWaalsContact C-N 3.32Å; Q807-M809 PolarHBondContact O-N 3.25Å; Q807-E810 PolarHBondContact O-N 3.31Å; Q807-N811 PolarHBondContact O-N 2.91Å |
| 808 | L | 76.9 | Confident | 73.4 | Confident | 34 Ų | 34 | 98.5 Ų | 98.5 | 18% | 0.178 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 175.9 | -75.2 | 170.9 | 0 | 0 | 0 | 112.2 | Q350 L354 K804 Q806 N811 D812 | Q350-L808 HydrophobicContact CB-CD2 4.28Å; L354-L808 HydrophobicContact CD1-CD1 4.07Å; K804-L808 PolarHBondContact O-N 3.37Å; Q806-L808 PolarHBondContact O-N 3.26Å; L808-N811 PolarHBondContact O-N 2.83Å; L808-D812 PolarHBondContact O-N 3.27Å; L808-D812 VanDerWaalsContact O-N 3.1Å |
| 809 | M | 76.4 | Confident | 74.7 | Confident | 122 Ų | 122 | 99.1 Ų | 99.1 | 60% | 0.601 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.7 | -34.4 | 177.8 | -89.6 | -90 | -80.8 | 0 | 0 | 113.5 | R805 Q806 Q807 N813 | R805-M809 PolarHBondContact O-N 3.31Å; Q806-M809 PolarHBondContact O-N 3.03Å; Q807-M809 VanDerWaalsContact C-N 3.32Å; Q807-M809 PolarHBondContact O-N 3.25Å; M809-N813 PolarHBondContact O-N 3.11Å; M809-N813 PolarHBondContact O-ND2 3.01Å |
| 810 | E | 80 | Confident | 75.8 | Confident | 120 Ų | 120 | 95.5 Ų | 95.5 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67 | -42.5 | 177 | -73.5 | 179.5 | 172.1 | 0 | 0 | 111.8 | Q806 Q807 N813 Q814 | Q806-E810 PolarHBondContact O-N 3.05Å; Q807-E810 PolarHBondContact O-N 3.31Å; E810-N813 PolarHBondContact O-N 3.32Å; E810-Q814 PolarHBondContact O-N 2.87Å; E810-Q814 VanDerWaalsContact O-N 3.16Å |
| 811 | N | 82.3 | Confident | 76.9 | Confident | 16 Ų | 16 | 96.3 Ų | 96.3 | 9% | 0.086 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.1 | -74.2 | -17.8 | 0 | 0 | 0 | 111.9 | R347 Q350 Q807 L808 N813 Q814 I815 | R347-N811 HydrophobicContact CB-CB 4.34Å; Q350-N811 PolarHBondContact OE1-ND2 2.91Å; Q807-N811 PolarHBondContact O-N 2.91Å; L808-N811 PolarHBondContact O-N 2.83Å; N811-N813 VanDerWaalsContact C-N 3.34Å; N811-N813 PolarHBondContact O-N 3.41Å; N811-Q814 PolarHBondContact O-N 3.48Å; N811-I815 VanDerWaalsContact O-CG1 3.31Å; N811-I815 WeakPolarHBondContact O-CG1 3.38Å; N811-I815 PolarHBondContact O-N 2.82Å |
| 812 | D | 79.9 | Confident | 78.1 | Confident | 63 Ų | 63 | 89.7 Ų | 89.7 | 34% | 0.337 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 176.1 | -78.1 | -21.6 | 0 | 0 | 0 | 111.8 | R347 L808 Q814 I815 E816 | R347-D812 IonicContact CZ-OD1 3.38Å; R347-D812 IonicContact NE-OD1 3.32Å; R347-D812 PolarHBondContact NE-OD1 3.35Å; R347-D812 IonicContact NH2-OD1 2.73Å; R347-D812 PolarHBondContact NH2-OD1 2.68Å; L808-D812 PolarHBondContact O-N 3.27Å; L808-D812 VanDerWaalsContact O-N 3.1Å; D812-Q814 PolarHBondContact O-N 2.96Å; D812-I815 PolarHBondContact O-N 3.4Å; D812-E816 PolarHBondContact O-N 3.44Å |
| 813 | N | 79.2 | Confident | 79 | Confident | 90 Ų | 90 | 89.8 Ų | 89.8 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 177.5 | -76.3 | -34.2 | 0 | 0 | 0 | 113.3 | M809 E810 N811 K817 | M809-N813 PolarHBondContact O-N 3.11Å; M809-N813 PolarHBondContact O-ND2 3.01Å; E810-N813 PolarHBondContact O-N 3.32Å; N811-N813 VanDerWaalsContact C-N 3.34Å; N811-N813 PolarHBondContact O-N 3.41Å; N813-K817 PolarHBondContact O-N 3.22Å |
| 814 | Q | 82.7 | Confident | 79.7 | Confident | 99 Ų | 99 | 92.3 Ų | 92.3 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 175.8 | -75.7 | -174.3 | -1.4 | 0 | 0 | 111.8 | V343 E810 N811 D812 E816 K817 L818 | V343-Q814 HydrophobicContact CG1-CB 4.13Å; E810-Q814 PolarHBondContact O-N 2.87Å; E810-Q814 VanDerWaalsContact O-N 3.16Å; N811-Q814 PolarHBondContact O-N 3.48Å; D812-Q814 PolarHBondContact O-N 2.96Å; Q814-E816 VanDerWaalsContact C-N 3.34Å; Q814-E816 PolarHBondContact O-N 2.96Å; Q814-K817 PolarHBondContact O-N 3.08Å; Q814-L818 PolarHBondContact O-N 3.08Å |
| 815 | I | 85.2 | Confident | 80.3 | Confident | 13 Ų | 13 | 91.5 Ų | 91.5 | 7% | 0.067 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 176.9 | -71 | 166.2 | 0 | 0 | 0 | 110.7 | L340 V343 V344 R347 N811 D812 L818 K819 | L340-I815 HydrophobicContact CD1-CG2 4.13Å; V343-I815 HydrophobicContact CB-CG1 4.32Å; V343-I815 HydrophobicContact CG1-CD1 4.23Å; V343-I815 HydrophobicContact CG1-CG1 3.66Å; V344-I815 HydrophobicContact CG2-CD1 3.95Å; V344-I815 HydrophobicContact CG2-CG1 4.1Å; V344-I815 HydrophobicContact CG2-CG2 4.46Å; R347-I815 HydrophobicContact CB-CD1 4.19Å; R347-I815 HydrophobicContact CG-CD1 4.47Å; N811-I815 VanDerWaalsContact O-CG1 3.31Å; N811-I815 WeakPolarHBondContact O-CG1 3.38Å; N811-I815 PolarHBondContact O-N 2.82Å; D812-I815 PolarHBondContact O-N 3.4Å; I815-L818 PolarHBondContact O-N 3.3Å; I815-K819 HydrophobicContact CG2-CD 4Å; I815-K819 HydrophobicContact CG2-CG 4.44Å; I815-K819 WeakPolarHBondContact O-CB 3.44Å; I815-K819 VanDerWaalsContact O-CG 3.31Å; I815-K819 WeakPolarHBondContact O-CG 3.47Å; I815-K819 PolarHBondContact O-N 3.3Å |
| 816 | E | 83.4 | Confident | 80.8 | Confident | 123 Ų | 123 | 87.2 Ų | 87.2 | 58% | 0.575 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65 | -39.5 | -179.7 | -156.8 | 177.9 | -160.5 | 0 | 0 | 112 | D812 Q814 K819 N820 | D812-E816 PolarHBondContact O-N 3.44Å; Q814-E816 VanDerWaalsContact C-N 3.34Å; Q814-E816 PolarHBondContact O-N 2.96Å; E816-K819 PolarHBondContact O-N 2.86Å; E816-N820 VanDerWaalsContact O-CG 3.28Å; E816-N820 PolarHBondContact O-N 2.78Å; E816-N820 VanDerWaalsContact O-N 3.1Å; E816-N820 PolarHBondContact O-ND2 3.41Å |
| 817 | K | 83.7 | Confident | 81 | Confident | 159 Ų | 159 | 85 Ų | 85 | 69% | 0.691 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.6 | -51.3 | 173.2 | -82.3 | -176.2 | 177 | 179.5 | 0 | 112.7 | N813 Q814 K819 N820 E821 | N813-K817 PolarHBondContact O-N 3.22Å; Q814-K817 PolarHBondContact O-N 3.08Å; K817-K819 VanDerWaalsContact C-N 3.29Å; K817-K819 PolarHBondContact O-N 3.12Å; K817-N820 PolarHBondContact O-N 2.74Å; K817-E821 PolarHBondContact O-N 3.06Å |
| 818 | L | 84.7 | Confident | 81 | Confident | 23 Ų | 23 | 85.4 Ų | 85.4 | 12% | 0.12 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.4 | -37.2 | -179.5 | -74 | 170.8 | 0 | 0 | 0 | 111.5 | L336 Q339 L340 V343 Q814 I815 E821 L822 | L336-L818 HydrophobicContact CD2-CD2 4.21Å; Q339-L818 HydrophobicContact CB-CD1 4.35Å; Q339-L818 HydrophobicContact CB-CD2 4.41Å; L340-L818 HydrophobicContact CD1-CB 3.9Å; V343-L818 HydrophobicContact CG2-CD1 4.06Å; Q814-L818 PolarHBondContact O-N 3.08Å; I815-L818 PolarHBondContact O-N 3.3Å; L818-E821 PolarHBondContact O-N 3.01Å; L818-L822 VanDerWaalsContact O-CB 3.28Å; L818-L822 WeakPolarHBondContact O-CB 3.46Å; L818-L822 PolarHBondContact O-N 3.35Å |
| 819 | K | 84.5 | Confident | 80.8 | Confident | 105 Ų | 105 | 88.6 Ų | 88.6 | 46% | 0.457 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 174.1 | -78.6 | 177.7 | 177.7 | 175.4 | 0 | 112.5 | L340 I815 E816 K817 E821 L822 E823 | L340-K819 HydrophobicContact CD1-CG 4.01Å; L340-K819 HydrophobicContact CD2-CG 4.22Å; I815-K819 HydrophobicContact CG2-CD 4Å; I815-K819 HydrophobicContact CG2-CG 4.44Å; I815-K819 WeakPolarHBondContact O-CB 3.44Å; I815-K819 VanDerWaalsContact O-CG 3.31Å; I815-K819 WeakPolarHBondContact O-CG 3.47Å; I815-K819 PolarHBondContact O-N 3.3Å; E816-K819 PolarHBondContact O-N 2.86Å; K817-K819 VanDerWaalsContact C-N 3.29Å; K817-K819 PolarHBondContact O-N 3.12Å; K819-E821 PolarHBondContact O-N 3.19Å; K819-L822 PolarHBondContact O-N 2.76Å; K819-E823 PolarHBondContact O-N 3.15Å |
| 820 | N | 80.9 | Confident | 80.5 | Confident | 96 Ų | 96 | 84.5 Ų | 84.5 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 179.8 | -70 | -20.3 | 0 | 0 | 0 | 112.2 | E816 K817 E823 F824 | E816-N820 VanDerWaalsContact O-CG 3.28Å; E816-N820 PolarHBondContact O-N 2.78Å; E816-N820 VanDerWaalsContact O-N 3.1Å; E816-N820 PolarHBondContact O-ND2 3.41Å; K817-N820 PolarHBondContact O-N 2.74Å; N820-E823 PolarHBondContact O-N 3.35Å; N820-F824 PolarHBondContact O-N 2.89Å |
| 821 | E | 81.9 | Confident | 80.2 | Confident | 107 Ų | 107 | 82.7 Ų | 82.7 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 177.8 | -163.2 | 158.4 | -159.2 | 0 | 0 | 111.7 | K817 L818 K819 F824 Q825 | K817-E821 PolarHBondContact O-N 3.06Å; L818-E821 PolarHBondContact O-N 3.01Å; K819-E821 PolarHBondContact O-N 3.19Å; E821-F824 PolarHBondContact O-N 3.16Å; E821-Q825 WeakPolarHBondContact O-CG 3.35Å; E821-Q825 PolarHBondContact O-N 2.66Å |
| 822 | L | 85.5 | Confident | 80.1 | Confident | 16 Ų | 16 | 82.9 Ų | 82.9 | 8% | 0.084 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 172.1 | -162.5 | 92.1 | 0 | 0 | 0 | 112.1 | L333 L336 E337 L818 K819 F824 Q825 K826 | L333-L822 HydrophobicContact CD2-CD1 4.47Å; L336-L822 HydrophobicContact CB-CD1 3.63Å; E337-L822 HydrophobicContact CG-CD1 3.56Å; E337-L822 HydrophobicContact CG-CD2 4.27Å; L818-L822 VanDerWaalsContact O-CB 3.28Å; L818-L822 WeakPolarHBondContact O-CB 3.46Å; L818-L822 PolarHBondContact O-N 3.35Å; K819-L822 PolarHBondContact O-N 2.76Å; L822-F824 VanDerWaalsContact C-N 3.34Å; L822-Q825 PolarHBondContact O-N 3.47Å; L822-K826 HydrophobicContact CD2-CD 4.14Å; L822-K826 VanDerWaalsContact CD2-NZ 3.35Å; L822-K826 HydrophobicContact CG-CD 4.22Å; L822-K826 WeakPolarHBondContact O-CB 3.18Å; L822-K826 VanDerWaalsContact O-CG 3.28Å; L822-K826 WeakPolarHBondContact O-CG 3.43Å; L822-K826 PolarHBondContact O-N 3.07Å |
| 823 | E | 83.2 | Confident | 80 | Confident | 138 Ų | 138 | 86 Ų | 86 | 65% | 0.645 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.9 | -40.3 | 176.9 | -80.4 | -171.3 | 173.3 | 0 | 0 | 111.9 | K819 N820 K826 S827 | K819-E823 PolarHBondContact O-N 3.15Å; N820-E823 PolarHBondContact O-N 3.35Å; E823-K826 PolarHBondContact O-N 3.32Å; E823-S827 PolarHBondContact O-N 3.42Å; E823-S827 VanDerWaalsContact O-N 3.16Å |
| 824 | F | 80.7 | Confident | 80.2 | Confident | 127 Ų | 127 | 83 Ų | 83 | 56% | 0.557 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.5 | -49.5 | 176.2 | -178.1 | -98.2 | 0 | 0 | 0 | 111.7 | N820 E821 L822 K826 S827 | N820-F824 PolarHBondContact O-N 2.89Å; E821-F824 PolarHBondContact O-N 3.16Å; L822-F824 VanDerWaalsContact C-N 3.34Å; F824-K826 VanDerWaalsContact C-N 3.35Å; F824-K826 PolarHBondContact O-N 3.04Å; F824-S827 WeakPolarHBondContact O-CB 3.45Å; F824-S827 PolarHBondContact O-N 2.84Å; F824-S827 VanDerWaalsContact O-N 3.08Å; F824-S827 PolarHBondContact O-OG 3.08Å |
| 825 | Q | 79.6 | Confident | 80.3 | Confident | 43 Ų | 43 | 80 Ų | 80 | 20% | 0.201 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 178.5 | -67.4 | -64.6 | -19.6 | 0 | 0 | 111.9 | H329 L333 L336 E821 L822 S827 E828 | H329-Q825 PolarHBondContact CE1-O 3.16Å; H329-Q825 PolarHBondContact NE2-O 3.2Å; L333-Q825 HydrophobicContact CD2-CB 3.73Å; L336-Q825 HydrophobicContact CD1-CG 4.14Å; E821-Q825 WeakPolarHBondContact O-CG 3.35Å; E821-Q825 PolarHBondContact O-N 2.66Å; L822-Q825 PolarHBondContact O-N 3.47Å; Q825-S827 PolarHBondContact O-N 2.81Å; Q825-E828 PolarHBondContact O-N 2.88Å |
| 826 | K | 78.6 | Confident | 80.3 | Confident | 111 Ų | 111 | 86.2 Ų | 86.2 | 48% | 0.483 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.3 | -20.2 | 174.2 | -76.7 | 180 | 178 | -178.3 | 0 | 113.3 | L333 E337 L822 E823 F824 | L333-K826 HydrophobicContact CD2-CG 3.92Å; E337-K826 WeakPolarHBondContact OE1-CE 2.97Å; E337-K826 IonicContact OE1-NZ 3.69Å; E337-K826 PolarHBondContact OE1-NZ 2.68Å; L822-K826 HydrophobicContact CD2-CD 4.14Å; L822-K826 VanDerWaalsContact CD2-NZ 3.35Å; L822-K826 HydrophobicContact CG-CD 4.22Å; L822-K826 WeakPolarHBondContact O-CB 3.18Å; L822-K826 VanDerWaalsContact O-CG 3.28Å; L822-K826 WeakPolarHBondContact O-CG 3.43Å; L822-K826 PolarHBondContact O-N 3.07Å; E823-K826 PolarHBondContact O-N 3.32Å; F824-K826 VanDerWaalsContact C-N 3.35Å; F824-K826 PolarHBondContact O-N 3.04Å |
| 827 | S | 78.8 | Confident | 80.3 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -16.9 | 179.2 | 79.9 | 0 | 0 | 0 | 0 | 114.3 | E823 F824 Q825 D829 | E823-S827 PolarHBondContact O-N 3.42Å; E823-S827 VanDerWaalsContact O-N 3.16Å; F824-S827 WeakPolarHBondContact O-CB 3.45Å; F824-S827 PolarHBondContact O-N 2.84Å; F824-S827 VanDerWaalsContact O-N 3.08Å; F824-S827 PolarHBondContact O-OG 3.08Å; Q825-S827 PolarHBondContact O-N 2.81Å; S827-D829 PolarHBondContact O-N 2.87Å |
| 828 | E | 73.6 | Confident | 80.4 | Confident | 102 Ų | 102 | 77.5 Ų | 77.5 | 48% | 0.477 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -78.2 | 115.7 | 178.3 | -70.3 | -157.2 | 147 | 0 | 0 | 111.9 | Q825 C830 | Q825-E828 PolarHBondContact O-N 2.88Å; E828-C830 VanDerWaalsContact C-N 3.26Å; E828-C830 PolarHBondContact O-N 3.4Å |
| 829 | D | 71.6 | Confident | 80.6 | Confident | 101 Ų | 101 | 78.8 Ų | 78.8 | 54% | 0.54 | 41% | 0.412 | S | S | . | . | trans | -80.8 | 64.8 | -178.8 | -169.9 | 19.3 | 0 | 0 | 0 | 113 | S827 S831 G832 | S827-D829 PolarHBondContact O-N 2.87Å; D829-S831 VanDerWaalsContact C-N 3.32Å; D829-S831 PolarHBondContact OD1-OG 3.42Å; D829-G832 WeakPolarHBondContact OD1-CA 3.44Å; D829-G832 PolarHBondContact OD1-N 2.88Å | ||
| 830 | C | 69.9 | Low | 80.8 | Confident | 36 Ų | 36 | 75.6 Ų | 75.6 | 24% | 0.243 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -69.6 | -31.9 | 171.7 | -74.9 | 0 | 0 | 0 | 0 | 112 | V326 H329 E828 Q833 L834 | V326-C830 HydrophobicContact CG2-CB 4.24Å; H329-C830 VanDerWaalsContact CD2-SG 3.55Å; E828-C830 VanDerWaalsContact C-N 3.26Å; E828-C830 PolarHBondContact O-N 3.4Å; C830-Q833 PolarHBondContact O-N 3.5Å; C830-L834 PolarHBondContact O-N 3.39Å |
| 831 | S | 75.1 | Confident | 81.1 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 58% | 0.58 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -68.1 | -38.7 | -179.4 | 77.2 | 0 | 0 | 0 | 0 | 112.8 | D829 Q833 L834 G835 | D829-S831 VanDerWaalsContact C-N 3.32Å; D829-S831 PolarHBondContact OD1-OG 3.42Å; S831-Q833 VanDerWaalsContact C-N 3.32Å; S831-Q833 PolarHBondContact O-N 3.4Å; S831-L834 PolarHBondContact O-N 2.87Å; S831-G835 PolarHBondContact O-N 3.26Å |
| 832 | G | 79.3 | Confident | 81.5 | Confident | 20 Ų | 20 | 71.3 Ų | 71.3 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.4 | -31 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D829 K836 | D829-G832 WeakPolarHBondContact OD1-CA 3.44Å; D829-G832 PolarHBondContact OD1-N 2.88Å; G832-K836 VanDerWaalsContact O-CG 3.31Å; G832-K836 WeakPolarHBondContact O-CG 3.41Å; G832-K836 PolarHBondContact O-N 2.92Å; G832-K836 VanDerWaalsContact O-N 3.15Å |
| 833 | Q | 77.4 | Confident | 81.7 | Confident | 129 Ų | 129 | 77 Ų | 77 | 60% | 0.603 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.9 | -43.6 | 173 | -65.1 | -173.1 | 7.5 | 0 | 0 | 111.7 | C830 S831 K836 I837 | C830-Q833 PolarHBondContact O-N 3.5Å; S831-Q833 VanDerWaalsContact C-N 3.32Å; S831-Q833 PolarHBondContact O-N 3.4Å; Q833-K836 PolarHBondContact O-N 2.95Å; Q833-I837 WeakPolarHBondContact O-CG1 3.49Å; Q833-I837 PolarHBondContact O-N 3.38Å; Q833-I837 VanDerWaalsContact O-N 3.16Å |
| 834 | L | 84.1 | Confident | 81.9 | Confident | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.131 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 175.3 | 178.1 | 63.2 | 0 | 0 | 0 | 110.9 | A322 R323 V326 C830 S831 K836 I837 E838 | A322-L834 HydrophobicContact CB-CD1 3.89Å; R323-L834 HydrophobicContact CG-CD1 3.59Å; R323-L834 HydrophobicContact CG-CD2 4.07Å; V326-L834 HydrophobicContact CB-CD2 4.48Å; V326-L834 HydrophobicContact CG2-CB 4.16Å; V326-L834 HydrophobicContact CG2-CD2 4.09Å; C830-L834 PolarHBondContact O-N 3.39Å; S831-L834 PolarHBondContact O-N 2.87Å; L834-K836 VanDerWaalsContact C-N 3.31Å; L834-K836 PolarHBondContact O-N 3.43Å; L834-I837 PolarHBondContact O-N 3.12Å; L834-I837 VanDerWaalsContact O-N 3.16Å; L834-E838 HydrophobicContact CD1-CG 3.94Å; L834-E838 HydrophobicContact CG-CG 4.22Å; L834-E838 WeakPolarHBondContact O-CB 3.5Å; L834-E838 WeakPolarHBondContact O-CG 3.41Å; L834-E838 PolarHBondContact O-N 3.46Å |
| 835 | G | 83.7 | Confident | 82.4 | Confident | 37 Ų | 37 | 71.2 Ų | 71.2 | 38% | 0.381 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.5 | -38.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S831 S839 | S831-G835 PolarHBondContact O-N 3.26Å; G835-S839 WeakPolarHBondContact O-CB 3.43Å; G835-S839 PolarHBondContact O-N 3.2Å |
| 836 | K | 85.7 | Confident | 82.9 | Confident | 144 Ų | 144 | 73.7 Ų | 73.7 | 63% | 0.626 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.3 | -47.8 | 174.5 | -75.3 | 170.1 | -173.5 | 168.8 | 0 | 111.5 | G832 Q833 L834 S839 S840 | G832-K836 VanDerWaalsContact O-CG 3.31Å; G832-K836 WeakPolarHBondContact O-CG 3.41Å; G832-K836 PolarHBondContact O-N 2.92Å; G832-K836 VanDerWaalsContact O-N 3.15Å; Q833-K836 PolarHBondContact O-N 2.95Å; L834-K836 VanDerWaalsContact C-N 3.31Å; L834-K836 PolarHBondContact O-N 3.43Å; K836-S839 PolarHBondContact O-N 3.39Å; K836-S839 PolarHBondContact O-OG 2.94Å; K836-S840 PolarHBondContact O-N 3.43Å; K836-S840 VanDerWaalsContact O-N 3.1Å; K836-S840 PolarHBondContact O-OG 3Å |
| 837 | I | 84.1 | Confident | 83.4 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 22% | 0.221 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | -179.2 | -63.5 | 168.8 | 0 | 0 | 0 | 110.9 | A318 C319 A322 Q833 L834 S839 S840 V841 | A318-I837 HydrophobicContact CB-CG2 4.17Å; C319-I837 HydrophobicContact CB-CG2 3.91Å; A322-I837 HydrophobicContact CB-CD1 4.04Å; Q833-I837 WeakPolarHBondContact O-CG1 3.49Å; Q833-I837 PolarHBondContact O-N 3.38Å; Q833-I837 VanDerWaalsContact O-N 3.16Å; L834-I837 PolarHBondContact O-N 3.12Å; L834-I837 VanDerWaalsContact O-N 3.16Å; I837-S839 VanDerWaalsContact C-N 3.32Å; I837-S839 PolarHBondContact O-N 3.43Å; I837-S840 CarbonylContact O-C 3.56Å; I837-S840 WeakPolarHBondContact O-CA 3.12Å; I837-S840 WeakPolarHBondContact O-CB 3.45Å; I837-S840 PolarHBondContact O-N 3.25Å; I837-V841 WeakPolarHBondContact O-CG2 3.29Å; I837-V841 PolarHBondContact O-N 3.45Å |
| 838 | E | 86.5 | Confident | 83.9 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 26% | 0.262 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 175.3 | -75.5 | -172 | 159 | 0 | 0 | 111.6 | C319 R323 L834 S840 V841 I842 | C319-E838 VanDerWaalsContact SG-CG 3.55Å; R323-E838 IonicContact CZ-OE1 3.52Å; R323-E838 VanDerWaalsContact CZ-OE1 3.32Å; R323-E838 IonicContact NE-OE1 2.78Å; R323-E838 PolarHBondContact NE-OE1 3.5Å; R323-E838 VanDerWaalsContact NE-OE1 3.08Å; R323-E838 IonicContact NH2-OE1 3.57Å; R323-E838 PolarHBondContact NH2-OE1 3.1Å; L834-E838 HydrophobicContact CD1-CG 3.94Å; L834-E838 HydrophobicContact CG-CG 4.22Å; L834-E838 WeakPolarHBondContact O-CB 3.5Å; L834-E838 WeakPolarHBondContact O-CG 3.41Å; L834-E838 PolarHBondContact O-N 3.46Å; E838-S840 VanDerWaalsContact C-N 3.25Å; E838-S840 PolarHBondContact O-N 2.99Å; E838-V841 WeakPolarHBondContact O-CB 3.46Å; E838-V841 PolarHBondContact O-N 2.9Å; E838-V841 VanDerWaalsContact O-N 3.14Å; E838-I842 WeakPolarHBondContact O-CG1 3.35Å; E838-I842 PolarHBondContact O-N 3.3Å |
| 839 | S | 87.9 | Confident | 84.7 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.5 | -34.6 | 173.4 | 83 | 0 | 0 | 0 | 0 | 112.3 | G835 K836 I837 K843 | G835-S839 WeakPolarHBondContact O-CB 3.43Å; G835-S839 PolarHBondContact O-N 3.2Å; K836-S839 PolarHBondContact O-N 3.39Å; K836-S839 PolarHBondContact O-OG 2.94Å; I837-S839 VanDerWaalsContact C-N 3.32Å; I837-S839 PolarHBondContact O-N 3.43Å; S839-K843 WeakPolarHBondContact O-CB 3.23Å; S839-K843 VanDerWaalsContact O-CG 3.23Å; S839-K843 WeakPolarHBondContact O-CG 3.49Å; S839-K843 PolarHBondContact O-N 2.96Å |
| 840 | S | 88.1 | Confident | 85.7 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70 | -38 | 173.7 | -62.1 | 0 | 0 | 0 | 0 | 112.5 | K836 I837 E838 E844 | K836-S840 PolarHBondContact O-N 3.43Å; K836-S840 VanDerWaalsContact O-N 3.1Å; K836-S840 PolarHBondContact O-OG 3Å; I837-S840 CarbonylContact O-C 3.56Å; I837-S840 WeakPolarHBondContact O-CA 3.12Å; I837-S840 WeakPolarHBondContact O-CB 3.45Å; I837-S840 PolarHBondContact O-N 3.25Å; E838-S840 VanDerWaalsContact C-N 3.25Å; E838-S840 PolarHBondContact O-N 2.99Å; S840-E844 PolarHBondContact O-N 3.43Å |
| 841 | V | 88.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 73.8 Ų | 73.8 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 173.8 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | L312 F315 E316 C319 I837 E838 E844 R845 | L312-V841 HydrophobicContact CD1-CG1 4Å; F315-V841 HydrophobicContact CB-CG2 3.66Å; E316-V841 HydrophobicContact CG-CG1 4.27Å; C319-V841 HydrophobicContact CB-CG2 4.16Å; I837-V841 WeakPolarHBondContact O-CG2 3.29Å; I837-V841 PolarHBondContact O-N 3.45Å; E838-V841 WeakPolarHBondContact O-CB 3.46Å; E838-V841 PolarHBondContact O-N 2.9Å; E838-V841 VanDerWaalsContact O-N 3.14Å; V841-E844 PolarHBondContact O-N 3.33Å; V841-R845 WeakPolarHBondContact O-CB 3.2Å; V841-R845 WeakPolarHBondContact O-CG 3.48Å; V841-R845 PolarHBondContact O-N 3.42Å |
| 842 | I | 89.8 | Confident | 87.3 | Confident | 97 Ų | 97 | 75.8 Ų | 75.8 | 50% | 0.497 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 178.7 | -66.9 | 166.2 | 0 | 0 | 0 | 110.2 | E838 E844 R845 E846 | E838-I842 WeakPolarHBondContact O-CG1 3.35Å; E838-I842 PolarHBondContact O-N 3.3Å; I842-E844 PolarHBondContact O-N 3.49Å; I842-R845 PolarHBondContact O-N 2.97Å; I842-R845 VanDerWaalsContact O-N 3.15Å; I842-E846 HydrophobicContact CG2-CG 4.5Å; I842-E846 WeakPolarHBondContact O-CG 3.46Å; I842-E846 PolarHBondContact O-N 2.93Å |
| 843 | K | 89.3 | Confident | 87.8 | Confident | 136 Ų | 136 | 79 Ų | 79 | 59% | 0.591 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.8 | -45.3 | 178.3 | -75.3 | 172.5 | -176.9 | 177.7 | 0 | 112.6 | S839 E846 E847 | S839-K843 WeakPolarHBondContact O-CB 3.23Å; S839-K843 VanDerWaalsContact O-CG 3.23Å; S839-K843 WeakPolarHBondContact O-CG 3.49Å; S839-K843 PolarHBondContact O-N 2.96Å; K843-E846 PolarHBondContact O-N 3.36Å; K843-E847 WeakPolarHBondContact O-CB 3.27Å; K843-E847 PolarHBondContact O-N 3.33Å |
| 844 | E | 88.1 | Confident | 88.4 | Confident | 12 Ų | 12 | 76.9 Ų | 76.9 | 6% | 0.056 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.2 | -33.7 | 176.6 | -78 | -64.8 | 160.7 | 0 | 0 | 113.1 | S308 K311 L312 F315 S840 V841 I842 E847 L848 | S308-E844 PolarHBondContact OG-OE2 3.09Å; K311-E844 WeakPolarHBondContact CD-OE1 3.36Å; K311-E844 WeakPolarHBondContact CE-OE1 3.48Å; K311-E844 HydrophobicContact CG-CG 4.42Å; K311-E844 IonicContact NZ-OE1 3.84Å; K311-E844 PolarHBondContact NZ-OE1 2.85Å; L312-E844 HydrophobicContact CD1-CB 4.34Å; F315-E844 HydrophobicContact CD2-CB 4.42Å; F315-E844 HydrophobicContact CD2-CG 3.68Å; F315-E844 HydrophobicContact CE2-CG 3.59Å; S840-E844 PolarHBondContact O-N 3.43Å; V841-E844 PolarHBondContact O-N 3.33Å; I842-E844 PolarHBondContact O-N 3.49Å; E844-E847 PolarHBondContact O-N 3.31Å; E844-L848 VanDerWaalsContact O-CB 3.27Å; E844-L848 WeakPolarHBondContact O-CB 3.48Å; E844-L848 PolarHBondContact O-N 3.36Å |
| 845 | R | 89.8 | Confident | 88.6 | Confident | 132 Ų | 132 | 77.7 Ų | 77.7 | 50% | 0.498 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 173.1 | -81.7 | -172.1 | -179.6 | -161.8 | 0.9 | 111.8 | L312 E316 V841 I842 L848 Q849 | L312-R845 HydrophobicContact CD1-CG 3.56Å; L312-R845 HydrophobicContact CD2-CG 3.9Å; L312-R845 HydrophobicContact CG-CG 4.41Å; E316-R845 IonicContact OE1-CZ 3.74Å; E316-R845 IonicContact OE1-NE 3.12Å; E316-R845 IonicContact OE1-NH2 3.01Å; E316-R845 PolarHBondContact OE1-NH2 3.45Å; V841-R845 WeakPolarHBondContact O-CB 3.2Å; V841-R845 WeakPolarHBondContact O-CG 3.48Å; V841-R845 PolarHBondContact O-N 3.42Å; I842-R845 PolarHBondContact O-N 2.97Å; I842-R845 VanDerWaalsContact O-N 3.15Å; R845-L848 PolarHBondContact O-N 3.47Å; R845-Q849 WeakPolarHBondContact O-CG 3.4Å; R845-Q849 PolarHBondContact O-N 2.89Å |
| 846 | E | 90.6 | Very high | 88.9 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 175.6 | -71.9 | 179.1 | 180 | 0 | 0 | 111.3 | I842 K843 Q849 R850 | I842-E846 HydrophobicContact CG2-CG 4.5Å; I842-E846 WeakPolarHBondContact O-CG 3.46Å; I842-E846 PolarHBondContact O-N 2.93Å; K843-E846 PolarHBondContact O-N 3.36Å; E846-Q849 PolarHBondContact O-N 2.97Å; E846-R850 WeakPolarHBondContact O-CG 3.35Å; E846-R850 PolarHBondContact O-N 3.01Å |
| 847 | E | 88.8 | Confident | 89.1 | Confident | 98 Ų | 98 | 76.8 Ų | 76.8 | 46% | 0.458 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.9 | -170.4 | 167.3 | -179.5 | 0 | 0 | 111.7 | K843 E844 Q849 R850 L851 | K843-E847 WeakPolarHBondContact O-CB 3.27Å; K843-E847 PolarHBondContact O-N 3.33Å; E844-E847 PolarHBondContact O-N 3.31Å; E847-Q849 VanDerWaalsContact C-N 3.35Å; E847-Q849 PolarHBondContact O-N 3.27Å; E847-R850 PolarHBondContact O-N 2.92Å; E847-L851 HydrophobicContact CG-CD1 4.24Å; E847-L851 WeakPolarHBondContact O-CG 3.49Å; E847-L851 PolarHBondContact O-N 2.85Å |
| 848 | L | 90.8 | Very high | 89.4 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.6 | -40 | 175.3 | -178.3 | 62.5 | 0 | 0 | 0 | 112.3 | V305 E309 L312 E844 R845 L851 R852 | V305-L848 HydrophobicContact CG1-CD1 4.01Å; E309-L848 HydrophobicContact CG-CD1 3.66Å; E309-L848 HydrophobicContact CG-CD2 3.99Å; L312-L848 HydrophobicContact CD2-CD2 3.78Å; E844-L848 VanDerWaalsContact O-CB 3.27Å; E844-L848 WeakPolarHBondContact O-CB 3.48Å; E844-L848 PolarHBondContact O-N 3.36Å; R845-L848 PolarHBondContact O-N 3.47Å; L848-L851 PolarHBondContact O-N 2.72Å; L848-R852 HydrophobicContact CD1-CG 4.43Å; L848-R852 WeakPolarHBondContact O-CB 3.32Å; L848-R852 WeakPolarHBondContact O-CG 3.4Å; L848-R852 PolarHBondContact O-N 3.07Å |
| 849 | Q | 89.8 | Confident | 89.4 | Confident | 139 Ų | 139 | 78.4 Ų | 78.4 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 174.8 | -80.4 | -174.7 | -10.8 | 0 | 0 | 111.5 | R845 E846 E847 R852 T853 | R845-Q849 WeakPolarHBondContact O-CG 3.4Å; R845-Q849 PolarHBondContact O-N 2.89Å; E846-Q849 PolarHBondContact O-N 2.97Å; E847-Q849 VanDerWaalsContact C-N 3.35Å; E847-Q849 PolarHBondContact O-N 3.27Å; Q849-R852 PolarHBondContact O-N 2.99Å; Q849-T853 WeakPolarHBondContact O-CG2 3.49Å; Q849-T853 PolarHBondContact O-N 3.39Å; Q849-T853 PolarHBondContact O-OG1 3.5Å |
| 850 | R | 91.3 | Very high | 89.5 | Confident | 167 Ų | 167 | 83.2 Ų | 83.2 | 63% | 0.63 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.5 | -48.9 | 175.8 | -70.3 | 176.9 | -169.3 | -168.1 | 5.4 | 111.5 | E846 E847 R852 T853 E854 | E846-R850 WeakPolarHBondContact O-CG 3.35Å; E846-R850 PolarHBondContact O-N 3.01Å; E847-R850 PolarHBondContact O-N 2.92Å; R850-R852 VanDerWaalsContact C-N 3.32Å; R850-R852 PolarHBondContact O-N 3.4Å; R850-T853 WeakPolarHBondContact CA-OG1 3.47Å; R850-T853 PolarHBondContact O-N 3.23Å; R850-T853 VanDerWaalsContact O-N 3.16Å; R850-T853 PolarHBondContact O-OG1 3Å; R850-E854 PolarHBondContact O-N 3.38Å |
| 851 | L | 90.5 | Very high | 89.6 | Confident | 21 Ų | 21 | 85.9 Ų | 85.9 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 178.9 | -69.4 | 171.3 | 0 | 0 | 0 | 112.5 | N304 V305 E847 L848 E854 E855 | N304-L851 HydrophobicContact CB-CD1 4.1Å; N304-L851 HydrophobicContact CB-CD2 4.13Å; V305-L851 HydrophobicContact CG2-CB 3.7Å; E847-L851 HydrophobicContact CG-CD1 4.24Å; E847-L851 WeakPolarHBondContact O-CG 3.49Å; E847-L851 PolarHBondContact O-N 2.85Å; L848-L851 PolarHBondContact O-N 2.72Å; L851-E854 PolarHBondContact O-N 3.48Å; L851-E855 PolarHBondContact O-N 3.22Å |
| 852 | R | 88.8 | Confident | 89.6 | Confident | 126 Ų | 126 | 86 Ų | 86 | 48% | 0.475 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | 174 | -79 | -178.1 | 174.2 | 177.2 | 0.2 | 112.9 | V305 E309 L848 Q849 R850 E854 E855 A856 | V305-R852 HydrophobicContact CG1-CG 4.29Å; E309-R852 IonicContact OE1-CZ 3.95Å; E309-R852 IonicContact OE1-NE 3.26Å; E309-R852 IonicContact OE1-NH2 2.79Å; E309-R852 PolarHBondContact OE1-NH2 2.9Å; L848-R852 HydrophobicContact CD1-CG 4.43Å; L848-R852 WeakPolarHBondContact O-CB 3.32Å; L848-R852 WeakPolarHBondContact O-CG 3.4Å; L848-R852 PolarHBondContact O-N 3.07Å; Q849-R852 PolarHBondContact O-N 2.99Å; R850-R852 VanDerWaalsContact C-N 3.32Å; R850-R852 PolarHBondContact O-N 3.4Å; R852-E854 VanDerWaalsContact C-N 3.35Å; R852-E855 PolarHBondContact O-N 2.92Å; R852-A856 WeakPolarHBondContact O-CB 3.45Å; R852-A856 PolarHBondContact O-N 3.47Å |
| 853 | T | 90.3 | Very high | 89.5 | Confident | 86 Ų | 86 | 82.4 Ų | 82.4 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 172.7 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | Q849 R850 A856 E857 | Q849-T853 WeakPolarHBondContact O-CG2 3.49Å; Q849-T853 PolarHBondContact O-N 3.39Å; Q849-T853 PolarHBondContact O-OG1 3.5Å; R850-T853 WeakPolarHBondContact CA-OG1 3.47Å; R850-T853 PolarHBondContact O-N 3.23Å; R850-T853 VanDerWaalsContact O-N 3.16Å; R850-T853 PolarHBondContact O-OG1 3Å; T853-A856 PolarHBondContact O-N 3.46Å; T853-E857 WeakPolarHBondContact O-CG 3.5Å; T853-E857 PolarHBondContact O-N 3.46Å |
| 854 | E | 89.1 | Confident | 89.5 | Confident | 86 Ų | 86 | 80.7 Ų | 80.7 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 173.9 | -70.9 | 179.4 | -170.3 | 0 | 0 | 111.8 | V301 R850 L851 R852 A856 E857 F858 | V301-E854 HydrophobicContact CG1-CB 4.04Å; R850-E854 PolarHBondContact O-N 3.38Å; L851-E854 PolarHBondContact O-N 3.48Å; R852-E854 VanDerWaalsContact C-N 3.35Å; E854-A856 VanDerWaalsContact C-N 3.35Å; E854-A856 PolarHBondContact O-N 2.8Å; E854-E857 WeakPolarHBondContact O-CB 3.18Å; E854-E857 PolarHBondContact O-N 2.85Å; E854-F858 WeakPolarHBondContact O-CD2 3.49Å; E854-F858 PolarHBondContact O-N 2.99Å |
| 855 | E | 88.7 | Confident | 89.6 | Confident | 42 Ų | 42 | 82.3 Ų | 82.3 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 175.5 | -174 | 179.4 | -155.5 | 0 | 0 | 111.2 | F298 V301 L851 R852 E857 F858 I859 | F298-E855 HydrophobicContact CE2-CG 4.06Å; V301-E855 HydrophobicContact CG1-CB 4.11Å; L851-E855 PolarHBondContact O-N 3.22Å; R852-E855 PolarHBondContact O-N 2.92Å; E855-E857 VanDerWaalsContact C-N 3.35Å; E855-E857 PolarHBondContact O-N 3.5Å; E855-F858 PolarHBondContact O-N 3Å; E855-I859 HydrophobicContact CG-CD1 4.03Å; E855-I859 VanDerWaalsContact O-CG1 3.29Å; E855-I859 WeakPolarHBondContact O-CG1 3.3Å; E855-I859 PolarHBondContact O-N 3.39Å |
| 856 | A | 89.7 | Confident | 89.5 | Confident | 57 Ų | 57 | 80.1 Ų | 80.1 | 47% | 0.471 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R852 T853 E854 I859 K860 | R852-A856 WeakPolarHBondContact O-CB 3.45Å; R852-A856 PolarHBondContact O-N 3.47Å; T853-A856 PolarHBondContact O-N 3.46Å; E854-A856 VanDerWaalsContact C-N 3.35Å; E854-A856 PolarHBondContact O-N 2.8Å; A856-I859 PolarHBondContact O-N 3.26Å; A856-K860 WeakPolarHBondContact O-CB 3.43Å; A856-K860 PolarHBondContact O-N 2.89Å |
| 857 | E | 90.7 | Very high | 89.5 | Confident | 104 Ų | 104 | 80.3 Ų | 80.3 | 49% | 0.486 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 173.5 | -77.1 | -168.1 | -170.4 | 0 | 0 | 112.4 | T853 E854 E855 K860 K861 | T853-E857 WeakPolarHBondContact O-CG 3.5Å; T853-E857 PolarHBondContact O-N 3.46Å; E854-E857 WeakPolarHBondContact O-CB 3.18Å; E854-E857 PolarHBondContact O-N 2.85Å; E855-E857 VanDerWaalsContact C-N 3.35Å; E855-E857 PolarHBondContact O-N 3.5Å; E857-K860 PolarHBondContact O-N 3.09Å; E857-K861 WeakPolarHBondContact O-CB 3.25Å; E857-K861 VanDerWaalsContact O-CG 3.24Å; E857-K861 WeakPolarHBondContact O-CG 3.32Å; E857-K861 PolarHBondContact O-N 2.65Å; E857-K861 IonicContact OE2-NZ 2.79Å; E857-K861 PolarHBondContact OE2-NZ 3.33Å |
| 858 | F | 89.4 | Confident | 89.6 | Confident | 40 Ų | 40 | 80.8 Ų | 80.8 | 18% | 0.175 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.5 | -81.9 | -65.6 | 0 | 0 | 0 | 111.7 | V294 N297 F298 V301 E854 E855 K861 I862 | V294-F858 HydrophobicContact CG1-CD1 3.78Å; V294-F858 HydrophobicContact CG1-CE1 4.08Å; N297-F858 HydrophobicContact CB-CE1 4.17Å; N297-F858 HydrophobicContact CB-CZ 4.19Å; F298-F858 HydrophobicContact CB-CB 4.24Å; F298-F858 HydrophobicContact CD2-CB 3.98Å; V301-F858 HydrophobicContact CB-CD2 4.5Å; V301-F858 HydrophobicContact CG2-CD2 4.03Å; V301-F858 HydrophobicContact CG2-CE2 3.76Å; E854-F858 WeakPolarHBondContact O-CD2 3.49Å; E854-F858 PolarHBondContact O-N 2.99Å; E855-F858 PolarHBondContact O-N 3Å; F858-K861 PolarHBondContact O-N 2.9Å; F858-I862 WeakPolarHBondContact O-CB 3.38Å; F858-I862 VanDerWaalsContact O-CG1 3.25Å; F858-I862 WeakPolarHBondContact O-CG1 3.26Å; F858-I862 PolarHBondContact O-N 3.46Å |
| 859 | I | 87.5 | Confident | 89.5 | Confident | 93 Ų | 93 | 81.1 Ų | 81.1 | 48% | 0.477 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 174.4 | -69.4 | 166.9 | 0 | 0 | 0 | 110.5 | F298 E855 A856 K861 I862 G863 | F298-I859 HydrophobicContact CD2-CG1 4.42Å; F298-I859 HydrophobicContact CE2-CD1 4.22Å; F298-I859 HydrophobicContact CE2-CG1 3.72Å; F298-I859 HydrophobicContact CZ-CG1 4.38Å; E855-I859 HydrophobicContact CG-CD1 4.03Å; E855-I859 VanDerWaalsContact O-CG1 3.29Å; E855-I859 WeakPolarHBondContact O-CG1 3.3Å; E855-I859 PolarHBondContact O-N 3.39Å; A856-I859 PolarHBondContact O-N 3.26Å; I859-K861 PolarHBondContact O-N 2.75Å; I859-I862 PolarHBondContact O-N 3.18Å; I859-G863 PolarHBondContact O-N 2.87Å |
| 860 | K | 89.6 | Confident | 89.5 | Confident | 151 Ų | 151 | 81.2 Ų | 81.2 | 66% | 0.657 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 178 | -170.4 | 178.4 | -179.5 | -179.1 | 0 | 112.2 | A856 E857 G863 N864 | A856-K860 WeakPolarHBondContact O-CB 3.43Å; A856-K860 PolarHBondContact O-N 2.89Å; E857-K860 PolarHBondContact O-N 3.09Å; K860-G863 PolarHBondContact O-N 2.94Å; K860-N864 WeakPolarHBondContact O-CB 3.37Å; K860-N864 VanDerWaalsContact O-CG 3.27Å; K860-N864 PolarHBondContact O-N 3.15Å |
| 861 | K | 89.3 | Confident | 89.4 | Confident | 94 Ų | 94 | 78.1 Ų | 78.1 | 41% | 0.409 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 176.6 | -75.9 | 167.7 | -172.5 | 157.7 | 0 | 111.3 | E857 F858 I859 N864 M865 | E857-K861 WeakPolarHBondContact O-CB 3.25Å; E857-K861 VanDerWaalsContact O-CG 3.24Å; E857-K861 WeakPolarHBondContact O-CG 3.32Å; E857-K861 PolarHBondContact O-N 2.65Å; E857-K861 IonicContact OE2-NZ 2.79Å; E857-K861 PolarHBondContact OE2-NZ 3.33Å; F858-K861 PolarHBondContact O-N 2.9Å; I859-K861 PolarHBondContact O-N 2.75Å; K861-N864 PolarHBondContact O-N 3.4Å; K861-M865 WeakPolarHBondContact O-CG 3.45Å; K861-M865 PolarHBondContact O-N 3.21Å |
| 862 | I | 89.3 | Confident | 89.5 | Confident | 17 Ų | 17 | 77.3 Ų | 77.3 | 9% | 0.087 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 178.1 | -68.6 | 167.6 | 0 | 0 | 0 | 110.4 | V294 F298 F858 I859 N864 M865 E866 | V294-I862 HydrophobicContact CG1-CD1 4.49Å; V294-I862 HydrophobicContact CG1-CG1 4.14Å; F298-I862 HydrophobicContact CB-CD1 3.94Å; F298-I862 HydrophobicContact CD1-CD1 4.45Å; F298-I862 HydrophobicContact CG-CD1 4.07Å; F858-I862 WeakPolarHBondContact O-CB 3.38Å; F858-I862 VanDerWaalsContact O-CG1 3.25Å; F858-I862 WeakPolarHBondContact O-CG1 3.26Å; F858-I862 PolarHBondContact O-N 3.46Å; I859-I862 PolarHBondContact O-N 3.18Å; I862-N864 PolarHBondContact O-N 3Å; I862-M865 PolarHBondContact O-N 3.21Å; I862-M865 VanDerWaalsContact O-N 3.13Å; I862-E866 HydrophobicContact CG2-CG 4.3Å; I862-E866 WeakPolarHBondContact O-CG 3.39Å; I862-E866 PolarHBondContact O-N 2.9Å |
| 863 | G | 87.7 | Confident | 89.5 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 24% | 0.237 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I859 K860 M865 E866 N867 | I859-G863 PolarHBondContact O-N 2.87Å; K860-G863 PolarHBondContact O-N 2.94Å; G863-M865 VanDerWaalsContact C-N 3.33Å; G863-M865 PolarHBondContact O-N 3.46Å; G863-E866 PolarHBondContact O-N 3.39Å; G863-N867 VanDerWaalsContact O-CG 3.3Å; G863-N867 PolarHBondContact O-N 3.11Å |
| 864 | N | 90.3 | Very high | 89.4 | Confident | 99 Ų | 99 | 75.4 Ų | 75.4 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 174.1 | -73.3 | -5.9 | 0 | 0 | 0 | 112.2 | K860 K861 I862 R868 | K860-N864 WeakPolarHBondContact O-CB 3.37Å; K860-N864 VanDerWaalsContact O-CG 3.27Å; K860-N864 PolarHBondContact O-N 3.15Å; K861-N864 PolarHBondContact O-N 3.4Å; I862-N864 PolarHBondContact O-N 3Å; N864-R868 PolarHBondContact O-N 3.43Å; N864-R868 VanDerWaalsContact O-N 3.1Å |
| 865 | M | 89.4 | Confident | 89.5 | Confident | 47 Ų | 47 | 75.9 Ų | 75.9 | 23% | 0.232 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 177.9 | -73.1 | 177.8 | 167.7 | 0 | 0 | 112.3 | Q287 D290 I291 V294 K861 I862 G863 R868 L869 | Q287-M865 PolarHBondContact NE2-O 2.82Å; D290-M865 HydrophobicContact CB-CE 4.39Å; I291-M865 HydrophobicContact CD1-CB 4.15Å; I291-M865 HydrophobicContact CG1-CB 3.72Å; I291-M865 HydrophobicContact CG1-SD 4.3Å; V294-M865 HydrophobicContact CG2-CE 4.33Å; V294-M865 HydrophobicContact CG2-SD 4.4Å; K861-M865 WeakPolarHBondContact O-CG 3.45Å; K861-M865 PolarHBondContact O-N 3.21Å; I862-M865 PolarHBondContact O-N 3.21Å; I862-M865 VanDerWaalsContact O-N 3.13Å; G863-M865 VanDerWaalsContact C-N 3.33Å; G863-M865 PolarHBondContact O-N 3.46Å; M865-R868 PolarHBondContact O-N 3.26Å; M865-L869 WeakPolarHBondContact O-CB 3.11Å; M865-L869 PolarHBondContact O-N 3.02Å |
| 866 | E | 88.8 | Confident | 89.5 | Confident | 85 Ų | 85 | 77.8 Ų | 77.8 | 40% | 0.397 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 176.2 | -73.3 | 176.5 | 164.5 | 0 | 0 | 111.7 | I291 I862 G863 R868 L869 E870 | I291-E866 HydrophobicContact CD1-CG 4.19Å; I862-E866 HydrophobicContact CG2-CG 4.3Å; I862-E866 WeakPolarHBondContact O-CG 3.39Å; I862-E866 PolarHBondContact O-N 2.9Å; G863-E866 PolarHBondContact O-N 3.39Å; E866-R868 PolarHBondContact O-N 3.46Å; E866-L869 WeakPolarHBondContact O-CB 2.87Å; E866-L869 PolarHBondContact O-N 3.28Å; E866-E870 PolarHBondContact O-N 2.8Å; E866-E870 VanDerWaalsContact O-N 3.09Å |
| 867 | N | 89.4 | Confident | 89.4 | Confident | 99 Ų | 99 | 79 Ų | 79 | 53% | 0.529 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 173.4 | -71.9 | -14.4 | 0 | 0 | 0 | 111.8 | G863 L869 E870 E871 | G863-N867 VanDerWaalsContact O-CG 3.3Å; G863-N867 PolarHBondContact O-N 3.11Å; N867-L869 VanDerWaalsContact C-N 3.3Å; N867-L869 PolarHBondContact O-N 3.38Å; N867-E870 PolarHBondContact O-N 2.95Å; N867-E870 VanDerWaalsContact O-N 3.15Å; N867-E871 PolarHBondContact O-N 3.33Å |
| 868 | R | 90.8 | Very high | 89.3 | Confident | 109 Ų | 109 | 78 Ų | 78 | 41% | 0.411 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 177.9 | -176 | 57.8 | 178.3 | 167.8 | 5.7 | 112.4 | N864 M865 E866 E870 E871 L872 | N864-R868 PolarHBondContact O-N 3.43Å; N864-R868 VanDerWaalsContact O-N 3.1Å; M865-R868 PolarHBondContact O-N 3.26Å; E866-R868 PolarHBondContact O-N 3.46Å; R868-E870 VanDerWaalsContact C-N 3.3Å; R868-E871 WeakPolarHBondContact CD-OE2 3.28Å; R868-E871 IonicContact CZ-OE2 4Å; R868-E871 IonicContact NH1-OE2 2.78Å; R868-E871 PolarHBondContact NH1-OE2 2.99Å; R868-E871 PolarHBondContact O-N 2.85Å; R868-L872 HydrophobicContact CG-CD1 4.37Å; R868-L872 WeakPolarHBondContact O-CG 3.29Å; R868-L872 PolarHBondContact O-N 3.31Å; R868-L872 VanDerWaalsContact O-N 3.08Å |
| 869 | L | 90 | Very high | 89.2 | Confident | 18 Ų | 18 | 80.7 Ų | 80.7 | 9% | 0.094 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.5 | -41 | 173.8 | -176.2 | 97.7 | 0 | 0 | 0 | 111.2 | I284 Q287 E288 I291 M865 E866 N867 L872 R873 | I284-L869 HydrophobicContact CG2-CD1 4.4Å; Q287-L869 HydrophobicContact CB-CD1 4.25Å; Q287-L869 HydrophobicContact CG-CB 4.26Å; Q287-L869 HydrophobicContact CG-CD1 4.19Å; E288-L869 HydrophobicContact CB-CD1 4.5Å; E288-L869 HydrophobicContact CG-CD1 3.33Å; I291-L869 HydrophobicContact CD1-CD1 4.47Å; M865-L869 WeakPolarHBondContact O-CB 3.11Å; M865-L869 PolarHBondContact O-N 3.02Å; E866-L869 WeakPolarHBondContact O-CB 2.87Å; E866-L869 PolarHBondContact O-N 3.28Å; N867-L869 VanDerWaalsContact C-N 3.3Å; N867-L869 PolarHBondContact O-N 3.38Å; L869-L872 PolarHBondContact O-N 3.31Å; L869-R873 VanDerWaalsContact CD2-CZ 3.47Å; L869-R873 WeakPolarHBondContact O-CB 3.29Å; L869-R873 VanDerWaalsContact O-CG 3.24Å; L869-R873 WeakPolarHBondContact O-CG 3.34Å; L869-R873 PolarHBondContact O-N 3.37Å |
| 870 | E | 88.1 | Confident | 89.1 | Confident | 141 Ų | 141 | 81.1 Ų | 81.1 | 66% | 0.659 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.5 | -40.5 | 179.7 | -162.3 | 144.8 | -148.1 | 0 | 0 | 112.2 | E866 N867 R868 R873 A874 | E866-E870 PolarHBondContact O-N 2.8Å; E866-E870 VanDerWaalsContact O-N 3.09Å; N867-E870 PolarHBondContact O-N 2.95Å; N867-E870 VanDerWaalsContact O-N 3.15Å; R868-E870 VanDerWaalsContact C-N 3.3Å; E870-R873 PolarHBondContact O-N 3.26Å; E870-A874 PolarHBondContact O-N 3.27Å |
| 871 | E | 90.5 | Very high | 88.9 | Confident | 102 Ų | 102 | 77.4 Ų | 77.4 | 48% | 0.477 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.4 | -50.4 | 170.8 | -70.1 | 174.4 | 179.1 | 0 | 0 | 112.1 | N867 R868 R873 A874 E875 | N867-E871 PolarHBondContact O-N 3.33Å; R868-E871 WeakPolarHBondContact CD-OE2 3.28Å; R868-E871 IonicContact CZ-OE2 4Å; R868-E871 IonicContact NH1-OE2 2.78Å; R868-E871 PolarHBondContact NH1-OE2 2.99Å; R868-E871 PolarHBondContact O-N 2.85Å; E871-R873 VanDerWaalsContact C-N 3.3Å; E871-R873 PolarHBondContact O-N 3.45Å; E871-A874 WeakPolarHBondContact O-CB 3.34Å; E871-A874 PolarHBondContact O-N 2.94Å; E871-E875 PolarHBondContact O-N 3.09Å |
| 872 | L | 91.5 | Very high | 88.7 | Confident | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -36.7 | 179.5 | -71.3 | 170.8 | 0 | 0 | 0 | 112 | L280 L283 I284 Q287 R868 L869 E875 R876 | L280-L872 HydrophobicContact CD2-CD2 4.29Å; L283-L872 HydrophobicContact CB-CD1 4.29Å; L283-L872 HydrophobicContact CB-CD2 4.43Å; L283-L872 HydrophobicContact CD1-CD2 4.49Å; I284-L872 HydrophobicContact CD1-CB 4.42Å; I284-L872 HydrophobicContact CG1-CB 3.79Å; Q287-L872 HydrophobicContact CB-CD1 4.47Å; R868-L872 HydrophobicContact CG-CD1 4.37Å; R868-L872 WeakPolarHBondContact O-CG 3.29Å; R868-L872 PolarHBondContact O-N 3.31Å; R868-L872 VanDerWaalsContact O-N 3.08Å; L869-L872 PolarHBondContact O-N 3.31Å; L872-E875 PolarHBondContact O-N 3.18Å; L872-R876 WeakPolarHBondContact O-CB 2.74Å; L872-R876 PolarHBondContact O-N 3.44Å |
| 873 | R | 89.4 | Confident | 88.6 | Confident | 107 Ų | 107 | 74.4 Ų | 74.4 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 175.1 | -77.5 | 172 | 174.2 | -168.7 | -0.5 | 111.5 | I284 E288 L869 E870 E871 V877 | I284-R873 HydrophobicContact CD1-CG 4.34Å; E288-R873 IonicContact OE1-CZ 2.66Å; E288-R873 IonicContact OE1-NE 3.45Å; E288-R873 IonicContact OE1-NH2 3.49Å; E288-R873 PolarHBondContact OE1-NH2 3.06Å; L869-R873 VanDerWaalsContact CD2-CZ 3.47Å; L869-R873 WeakPolarHBondContact O-CB 3.29Å; L869-R873 VanDerWaalsContact O-CG 3.24Å; L869-R873 WeakPolarHBondContact O-CG 3.34Å; L869-R873 PolarHBondContact O-N 3.37Å; E870-R873 PolarHBondContact O-N 3.26Å; E871-R873 VanDerWaalsContact C-N 3.3Å; E871-R873 PolarHBondContact O-N 3.45Å; R873-V877 WeakPolarHBondContact O-CG2 3.43Å; R873-V877 PolarHBondContact O-N 2.87Å; R873-V877 VanDerWaalsContact O-N 3.16Å |
| 874 | A | 89 | Confident | 88.4 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E870 E871 R876 V877 S878 | E870-A874 PolarHBondContact O-N 3.27Å; E871-A874 WeakPolarHBondContact O-CB 3.34Å; E871-A874 PolarHBondContact O-N 2.94Å; A874-R876 PolarHBondContact O-N 3.23Å; A874-V877 PolarHBondContact O-N 3.31Å; A874-S878 PolarHBondContact O-N 3.41Å |
| 875 | E | 89.5 | Confident | 88.2 | Confident | 95 Ų | 95 | 80 Ų | 80 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 175.4 | -73.8 | -176.6 | -176.4 | 0 | 0 | 112.3 | L280 E871 L872 V877 S878 K879 | L280-E875 HydrophobicContact CD1-CB 4.34Å; L280-E875 HydrophobicContact CD2-CB 4.4Å; E871-E875 PolarHBondContact O-N 3.09Å; L872-E875 PolarHBondContact O-N 3.18Å; E875-V877 VanDerWaalsContact C-N 3.31Å; E875-V877 PolarHBondContact O-N 3.03Å; E875-S878 PolarHBondContact O-N 2.71Å; E875-K879 PolarHBondContact O-N 2.99Å |
| 876 | R | 90.3 | Very high | 88 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 31% | 0.313 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58 | -43.4 | 175.9 | -175.4 | -158.6 | 66.4 | -173.9 | -1.1 | 111.4 | I284 L872 A874 K879 K880 | I284-R876 HydrophobicContact CD1-CB 4.01Å; I284-R876 HydrophobicContact CD1-CG 4.29Å; L872-R876 WeakPolarHBondContact O-CB 2.74Å; L872-R876 PolarHBondContact O-N 3.44Å; A874-R876 PolarHBondContact O-N 3.23Å; R876-K879 PolarHBondContact O-N 2.62Å; R876-K880 WeakPolarHBondContact O-CB 3.48Å; R876-K880 PolarHBondContact O-N 3.45Å |
| 877 | V | 86.7 | Confident | 87.8 | Confident | 81 Ų | 81 | 81.2 Ų | 81.2 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 178.7 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | R873 A874 E875 K879 K880 T881 | R873-V877 WeakPolarHBondContact O-CG2 3.43Å; R873-V877 PolarHBondContact O-N 2.87Å; R873-V877 VanDerWaalsContact O-N 3.16Å; A874-V877 PolarHBondContact O-N 3.31Å; E875-V877 VanDerWaalsContact C-N 3.31Å; E875-V877 PolarHBondContact O-N 3.03Å; V877-K879 VanDerWaalsContact C-N 3.35Å; V877-K879 PolarHBondContact O-N 2.98Å; V877-K880 PolarHBondContact O-N 2.97Å; V877-T881 PolarHBondContact O-N 3.03Å |
| 878 | S | 87.9 | Confident | 87.6 | Confident | 85 Ų | 85 | 80.4 Ų | 80.4 | 59% | 0.594 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.7 | -34.8 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 113.9 | A874 E875 T881 | A874-S878 PolarHBondContact O-N 3.41Å; E875-S878 PolarHBondContact O-N 2.71Å; S878-T881 PolarHBondContact O-OG1 2.94Å |
| 879 | K | 87.6 | Confident | 87.2 | Confident | 96 Ų | 96 | 77.9 Ų | 77.9 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -79.7 | -30.1 | 177.2 | -73.5 | -69.8 | -173.9 | 168.8 | 0 | 112.8 | E276 V277 L280 E875 R876 V877 G882 L883 | E276-K879 WeakPolarHBondContact OE2-CE 3.24Å; E276-K879 IonicContact OE2-NZ 3.42Å; E276-K879 PolarHBondContact OE2-NZ 3.13Å; V277-K879 HydrophobicContact CG2-CB 4.16Å; L280-K879 HydrophobicContact CD1-CB 4.11Å; L280-K879 HydrophobicContact CD1-CG 3.93Å; E875-K879 PolarHBondContact O-N 2.99Å; R876-K879 PolarHBondContact O-N 2.62Å; V877-K879 VanDerWaalsContact C-N 3.35Å; V877-K879 PolarHBondContact O-N 2.98Å; K879-G882 PolarHBondContact O-N 3.2Å; K879-L883 PolarHBondContact O-N 2.91Å; K879-L883 VanDerWaalsContact O-N 3.16Å |
| 880 | K | 86.2 | Confident | 86.9 | Confident | 102 Ų | 102 | 78 Ų | 78 | 44% | 0.443 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 177.4 | -173.4 | 174.7 | 177.6 | 178.2 | 0 | 112.1 | R876 V877 G882 L883 E884 | R876-K880 WeakPolarHBondContact O-CB 3.48Å; R876-K880 PolarHBondContact O-N 3.45Å; V877-K880 PolarHBondContact O-N 2.97Å; K880-G882 VanDerWaalsContact C-N 3.29Å; K880-G882 PolarHBondContact O-N 2.83Å; K880-L883 WeakPolarHBondContact O-CB 3.48Å; K880-L883 PolarHBondContact O-N 3.44Å; K880-L883 VanDerWaalsContact O-N 3.1Å; K880-E884 WeakPolarHBondContact O-CG 3.48Å; K880-E884 PolarHBondContact O-N 2.84Å |
| 881 | T | 85.2 | Confident | 86.6 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 44% | 0.442 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 174.4 | 53.6 | 0 | 0 | 0 | 0 | 112 | V877 S878 E884 E885 | V877-T881 PolarHBondContact O-N 3.03Å; S878-T881 PolarHBondContact O-OG1 2.94Å; T881-E884 PolarHBondContact O-N 3.1Å; T881-E885 PolarHBondContact O-N 3.33Å |
| 882 | G | 85.9 | Confident | 86.2 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.3 | -27.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K879 K880 | K879-G882 PolarHBondContact O-N 3.2Å; K880-G882 VanDerWaalsContact C-N 3.29Å; K880-G882 PolarHBondContact O-N 2.83Å |
| 883 | L | 87.3 | Confident | 85.7 | Confident | 18 Ų | 18 | 73.9 Ų | 73.9 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 172.4 | 178.7 | 67.9 | 0 | 0 | 0 | 111.5 | Y270 A273 L274 V277 K879 K880 E885 E886 E887 | Y270-L883 HydrophobicContact CD2-CD1 3.93Å; Y270-L883 HydrophobicContact CE2-CD1 3.74Å; Y270-L883 HydrophobicContact CE2-CG 4.46Å; A273-L883 HydrophobicContact CB-CD1 3.81Å; L274-L883 HydrophobicContact CB-CD1 4.17Å; L274-L883 HydrophobicContact CD1-CD2 4.33Å; V277-L883 HydrophobicContact CB-CD2 4.37Å; V277-L883 HydrophobicContact CG1-CD2 4.49Å; V277-L883 HydrophobicContact CG2-CB 4.25Å; V277-L883 HydrophobicContact CG2-CD2 4.05Å; K879-L883 PolarHBondContact O-N 2.91Å; K879-L883 VanDerWaalsContact O-N 3.16Å; K880-L883 WeakPolarHBondContact O-CB 3.48Å; K880-L883 PolarHBondContact O-N 3.44Å; K880-L883 VanDerWaalsContact O-N 3.1Å; L883-E885 VanDerWaalsContact C-N 3.34Å; L883-E886 PolarHBondContact O-N 2.9Å; L883-E887 WeakPolarHBondContact O-CB 3.42Å; L883-E887 PolarHBondContact O-N 3.34Å |
| 884 | E | 83.6 | Confident | 85.3 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 44% | 0.444 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 178.6 | -72.2 | 169.4 | -176.2 | 0 | 0 | 111.4 | K880 T881 E887 V888 | K880-E884 WeakPolarHBondContact O-CG 3.48Å; K880-E884 PolarHBondContact O-N 2.84Å; T881-E884 PolarHBondContact O-N 3.1Å; E884-E887 PolarHBondContact O-N 2.88Å; E884-V888 WeakPolarHBondContact O-CG2 3.33Å; E884-V888 PolarHBondContact O-N 3.49Å; E884-V888 VanDerWaalsContact O-N 3.14Å |
| 885 | E | 84.6 | Confident | 84.9 | Confident | 145 Ų | 145 | 76.8 Ų | 76.8 | 68% | 0.678 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.6 | -47.8 | 174.4 | -68.9 | 177.5 | 174.8 | 0 | 0 | 112.2 | T881 L883 E887 V888 D889 | T881-E885 PolarHBondContact O-N 3.33Å; L883-E885 VanDerWaalsContact C-N 3.34Å; E885-E887 VanDerWaalsContact C-N 3.33Å; E885-E887 PolarHBondContact O-N 2.84Å; E885-V888 PolarHBondContact O-N 3.24Å; E885-D889 PolarHBondContact O-N 3.3Å |
| 886 | E | 85.4 | Confident | 84.3 | Confident | 55 Ų | 55 | 77.2 Ų | 77.2 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.9 | -27.5 | 178.4 | -69.7 | -78.1 | -175.8 | 0 | 0 | 113 | H269 L883 V890 | H269-E886 WeakPolarHBondContact CB-OE2 3.48Å; L883-E886 PolarHBondContact O-N 2.9Å; E886-V890 PolarHBondContact O-N 3.46Å |
| 887 | E | 85.1 | Confident | 83.8 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 174.5 | -175.7 | 175.6 | -174.9 | 0 | 0 | 111.9 | Y270 L883 E884 E885 D889 V890 S891 | Y270-E887 HydrophobicContact CD2-CB 4.33Å; Y270-E887 HydrophobicContact CE2-CB 4.1Å; Y270-E887 HydrophobicContact CE2-CG 4.36Å; L883-E887 WeakPolarHBondContact O-CB 3.42Å; L883-E887 PolarHBondContact O-N 3.34Å; E884-E887 PolarHBondContact O-N 2.88Å; E885-E887 VanDerWaalsContact C-N 3.33Å; E885-E887 PolarHBondContact O-N 2.84Å; E887-D889 VanDerWaalsContact C-N 3.31Å; E887-D889 PolarHBondContact O-N 3.29Å; E887-V890 PolarHBondContact O-N 3.37Å; E887-S891 WeakPolarHBondContact O-CB 3.45Å; E887-S891 PolarHBondContact O-N 3.34Å |
| 888 | V | 84.3 | Confident | 83.1 | Confident | 82 Ų | 82 | 71 Ų | 71 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 110.2 | E884 E885 V890 S891 E892 | E884-V888 WeakPolarHBondContact O-CG2 3.33Å; E884-V888 PolarHBondContact O-N 3.49Å; E884-V888 VanDerWaalsContact O-N 3.14Å; E885-V888 PolarHBondContact O-N 3.24Å; V888-V890 PolarHBondContact O-N 2.97Å; V888-S891 VanDerWaalsContact O-CB 3.32Å; V888-S891 WeakPolarHBondContact O-CB 3.36Å; V888-S891 PolarHBondContact O-N 3.35Å; V888-E892 PolarHBondContact O-N 2.86Å |
| 889 | D | 83.6 | Confident | 82.7 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 178.2 | -83.4 | 7.7 | 0 | 0 | 0 | 113.2 | K266 E885 E887 A893 | K266-D889 HydrophobicContact CD-CB 4.07Å; K266-D889 IonicContact NZ-OD2 2.66Å; K266-D889 PolarHBondContact NZ-OD2 3.49Å; E885-D889 PolarHBondContact O-N 3.3Å; E887-D889 VanDerWaalsContact C-N 3.31Å; E887-D889 PolarHBondContact O-N 3.29Å; D889-A893 PolarHBondContact O-N 3.07Å |
| 890 | V | 84.5 | Confident | 82.1 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.3 | -36 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | K266 R267 Y270 E886 E887 V888 K894 | K266-V890 HydrophobicContact CB-CG2 3.86Å; R267-V890 HydrophobicContact CG-CG1 4.34Å; Y270-V890 HydrophobicContact CG-CG2 4.29Å; E886-V890 PolarHBondContact O-N 3.46Å; E887-V890 PolarHBondContact O-N 3.37Å; V888-V890 PolarHBondContact O-N 2.97Å; V890-K894 WeakPolarHBondContact O-CB 3.24Å; V890-K894 PolarHBondContact O-N 2.87Å |
| 891 | S | 80.3 | Confident | 81.6 | Confident | 45 Ų | 45 | 63.2 Ų | 63.2 | 32% | 0.315 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 177.5 | 165 | 0 | 0 | 0 | 0 | 111.4 | E887 V888 K894 K895 | E887-S891 WeakPolarHBondContact O-CB 3.45Å; E887-S891 PolarHBondContact O-N 3.34Å; V888-S891 VanDerWaalsContact O-CB 3.32Å; V888-S891 WeakPolarHBondContact O-CB 3.36Å; V888-S891 PolarHBondContact O-N 3.35Å; S891-K894 PolarHBondContact O-N 2.94Å; S891-K895 WeakPolarHBondContact O-CG 3.15Å; S891-K895 PolarHBondContact O-N 3.37Å; S891-K895 WeakPolarHBondContact OG-CE 3.46Å |
| 892 | E | 81.9 | Confident | 80.9 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 52% | 0.523 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.5 | -53.6 | 176.7 | -71 | -171.1 | 164.7 | 0 | 0 | 112 | V888 K894 K895 E896 | V888-E892 PolarHBondContact O-N 2.86Å; E892-K894 VanDerWaalsContact C-N 3.27Å; E892-K894 PolarHBondContact O-N 3.03Å; E892-K895 WeakPolarHBondContact O-CB 3.46Å; E892-K895 PolarHBondContact O-N 2.81Å; E892-K895 VanDerWaalsContact O-N 3.15Å; E892-E896 PolarHBondContact O-N 3.48Å |
| 893 | A | 81.5 | Confident | 80.3 | Confident | 5 Ų | 5 | 67.4 Ų | 67.4 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.1 | -35.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L263 D889 V897 | L263-A893 HydrophobicContact CD1-CB 4.48Å; D889-A893 PolarHBondContact O-N 3.07Å; A893-V897 PolarHBondContact O-N 3.49Å |
| 894 | K | 80.7 | Confident | 79.8 | Confident | 108 Ų | 108 | 67.7 Ų | 67.7 | 47% | 0.47 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.8 | -35.4 | 176.7 | -173.4 | 179.2 | 178.2 | -175.7 | 0 | 112.6 | L263 V890 S891 E892 E896 V897 T898 | L263-K894 HydrophobicContact CD1-CB 3.66Å; L263-K894 HydrophobicContact CD1-CG 4.21Å; V890-K894 WeakPolarHBondContact O-CB 3.24Å; V890-K894 PolarHBondContact O-N 2.87Å; S891-K894 PolarHBondContact O-N 2.94Å; E892-K894 VanDerWaalsContact C-N 3.27Å; E892-K894 PolarHBondContact O-N 3.03Å; K894-E896 PolarHBondContact O-N 2.82Å; K894-V897 PolarHBondContact O-N 3.23Å; K894-T898 HydrophobicContact CG-CG2 3.78Å; K894-T898 VanDerWaalsContact O-CB 3.25Å; K894-T898 WeakPolarHBondContact O-CB 3.46Å; K894-T898 VanDerWaalsContact O-CG2 3.25Å; K894-T898 WeakPolarHBondContact O-CG2 3.47Å; K894-T898 PolarHBondContact O-N 3.39Å; K894-T898 PolarHBondContact O-OG1 3.32Å |
| 895 | K | 80.3 | Confident | 79.1 | Confident | 126 Ų | 126 | 66.6 Ų | 66.6 | 55% | 0.548 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.4 | -42 | 176.7 | -78.5 | 165.5 | -172.3 | 169.4 | 0 | 110.6 | S891 E892 T898 A899 | S891-K895 WeakPolarHBondContact O-CG 3.15Å; S891-K895 PolarHBondContact O-N 3.37Å; S891-K895 WeakPolarHBondContact OG-CE 3.46Å; E892-K895 WeakPolarHBondContact O-CB 3.46Å; E892-K895 PolarHBondContact O-N 2.81Å; E892-K895 VanDerWaalsContact O-N 3.15Å; K895-T898 PolarHBondContact O-OG1 3.1Å; K895-A899 VanDerWaalsContact O-CB 3.32Å; K895-A899 WeakPolarHBondContact O-CB 3.15Å; K895-A899 PolarHBondContact O-N 2.89Å |
| 896 | E | 78.4 | Confident | 78.6 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.2 | -54.4 | 179.8 | -61 | -176 | 160.9 | 0 | 0 | 111.6 | L259 E892 K894 T898 A899 | L259-E896 HydrophobicContact CD1-CB 4.21Å; L259-E896 VanDerWaalsContact CD1-O 3.29Å; L259-E896 WeakPolarHBondContact CD1-O 3.02Å; L259-E896 HydrophobicContact CD2-CB 3.99Å; E892-E896 PolarHBondContact O-N 3.48Å; K894-E896 PolarHBondContact O-N 2.82Å; E896-T898 PolarHBondContact O-N 3.49Å; E896-A899 PolarHBondContact O-N 2.9Å |
| 897 | V | 79.6 | Confident | 77.8 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.2 | -49.9 | 178 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | L259 E260 L263 A893 K894 A899 V900 Q901 | L259-V897 HydrophobicContact CB-CB 4.22Å; L259-V897 HydrophobicContact CB-CG2 3.51Å; L259-V897 WeakPolarHBondContact O-CG2 3.2Å; E260-V897 HydrophobicContact CG-CG1 3.84Å; L263-V897 HydrophobicContact CB-CG2 4.13Å; L263-V897 HydrophobicContact CD1-CG2 4.24Å; L263-V897 HydrophobicContact CD2-CG2 4.49Å; A893-V897 PolarHBondContact O-N 3.49Å; K894-V897 PolarHBondContact O-N 3.23Å; V897-A899 VanDerWaalsContact C-N 3.3Å; V897-A899 PolarHBondContact O-N 3.45Å; V897-V900 PolarHBondContact O-N 2.86Å; V897-Q901 VanDerWaalsContact O-CB 3.32Å; V897-Q901 WeakPolarHBondContact O-CB 3.47Å; V897-Q901 PolarHBondContact O-N 3.4Å |
| 898 | T | 70.8 | Confident | 77.4 | Confident | 32 Ų | 32 | 58.5 Ų | 58.5 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.3 | -29.3 | -175 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | K894 K895 E896 V900 K902 | K894-T898 HydrophobicContact CG-CG2 3.78Å; K894-T898 VanDerWaalsContact O-CB 3.25Å; K894-T898 WeakPolarHBondContact O-CB 3.46Å; K894-T898 VanDerWaalsContact O-CG2 3.25Å; K894-T898 WeakPolarHBondContact O-CG2 3.47Å; K894-T898 PolarHBondContact O-N 3.39Å; K894-T898 PolarHBondContact O-OG1 3.32Å; K895-T898 PolarHBondContact O-OG1 3.1Å; E896-T898 PolarHBondContact O-N 3.49Å; T898-V900 PolarHBondContact O-N 3.42Å; T898-K902 WeakPolarHBondContact O-CB 3.41Å; T898-K902 VanDerWaalsContact O-CD 3.24Å; T898-K902 WeakPolarHBondContact O-CD 3.28Å; T898-K902 WeakPolarHBondContact O-CG 3.3Å; T898-K902 PolarHBondContact O-N 3.06Å |
| 899 | A | 79.2 | Confident | 76.5 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.9 | -47 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | K895 E896 V897 E903 | K895-A899 VanDerWaalsContact O-CB 3.32Å; K895-A899 WeakPolarHBondContact O-CB 3.15Å; K895-A899 PolarHBondContact O-N 2.89Å; E896-A899 PolarHBondContact O-N 2.9Å; V897-A899 VanDerWaalsContact C-N 3.3Å; V897-A899 PolarHBondContact O-N 3.45Å; A899-E903 VanDerWaalsContact O-CG 3.31Å; A899-E903 WeakPolarHBondContact O-CG 3.16Å; A899-E903 PolarHBondContact O-N 3.18Å |
| 900 | V | 76.2 | Confident | 76.1 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.024 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.6 | -44.7 | -175.7 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | K255 C256 L259 V897 T898 K902 E903 L904 | K255-V900 VanDerWaalsContact C-CG1 3.44Å; K255-V900 HydrophobicContact CB-CG1 3.43Å; K255-V900 VanDerWaalsContact CB-CG1 3.43Å; K255-V900 HydrophobicContact CD-CB 4.32Å; K255-V900 HydrophobicContact CD-CG1 3.72Å; K255-V900 HydrophobicContact CD-CG2 3.7Å; K255-V900 VanDerWaalsContact CE-CG2 3.48Å; K255-V900 HydrophobicContact CG-CB 4.3Å; K255-V900 HydrophobicContact CG-CG1 3.54Å; K255-V900 HydrophobicContact CG-CG2 3.77Å; C256-V900 HydrophobicContact CB-CG1 3.97Å; L259-V900 HydrophobicContact CD1-CB 4.49Å; L259-V900 HydrophobicContact CD1-CG2 3.69Å; V897-V900 PolarHBondContact O-N 2.86Å; T898-V900 PolarHBondContact O-N 3.42Å; V900-K902 PolarHBondContact O-N 2.92Å; V900-E903 WeakPolarHBondContact O-CB 3.35Å; V900-E903 PolarHBondContact O-N 2.75Å; V900-L904 PolarHBondContact O-N 3.47Å |
| 901 | Q | 75.2 | Confident | 75.5 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -32.2 | 179.9 | -152.6 | 161 | 42.6 | 0 | 0 | 111 | C256 E260 V897 L904 L905 | C256-Q901 VanDerWaalsContact SG-CB 3.52Å; C256-Q901 VanDerWaalsContact SG-CD 3.54Å; C256-Q901 WeakPolarHBondContact SG-CG 3.01Å; C256-Q901 PolarHBondContact SG-NE2 3.23Å; C256-Q901 VanDerWaalsContact SG-NE2 3.41Å; E260-Q901 PolarHBondContact OE1-NE2 3.45Å; V897-Q901 VanDerWaalsContact O-CB 3.32Å; V897-Q901 WeakPolarHBondContact O-CB 3.47Å; V897-Q901 PolarHBondContact O-N 3.4Å; Q901-L904 PolarHBondContact O-N 3.25Å; Q901-L905 WeakPolarHBondContact O-CB 3.43Å; Q901-L905 PolarHBondContact O-N 2.81Å |
| 902 | K | 70.1 | Confident | 75.3 | Confident | 111 Ų | 111 | 60.3 Ų | 60.3 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.4 | -48.1 | 172.1 | -82.2 | 168.6 | -177 | 166.4 | 0 | 111.3 | T898 V900 L904 L905 V906 | T898-K902 WeakPolarHBondContact O-CB 3.41Å; T898-K902 VanDerWaalsContact O-CD 3.24Å; T898-K902 WeakPolarHBondContact O-CD 3.28Å; T898-K902 WeakPolarHBondContact O-CG 3.3Å; T898-K902 PolarHBondContact O-N 3.06Å; V900-K902 PolarHBondContact O-N 2.92Å; K902-L904 PolarHBondContact O-N 3.35Å; K902-L905 PolarHBondContact O-N 3.34Å; K902-V906 WeakPolarHBondContact O-CA 3.42Å; K902-V906 WeakPolarHBondContact O-CB 3.11Å; K902-V906 WeakPolarHBondContact O-CG2 2.95Å; K902-V906 PolarHBondContact O-N 3.03Å |
| 903 | E | 74.7 | Confident | 74.7 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.5 | -48.9 | -179.8 | -67.3 | 167.4 | 177.1 | 0 | 0 | 109.4 | L252 K255 A899 V900 A907 | L252-E903 HydrophobicContact CB-CB 4.31Å; L252-E903 HydrophobicContact CD1-CB 3.8Å; L252-E903 WeakPolarHBondContact CD1-O 3.19Å; L252-E903 HydrophobicContact CD2-CB 3.35Å; L252-E903 HydrophobicContact CD2-CG 4.22Å; L252-E903 WeakPolarHBondContact CD2-OE2 3.42Å; L252-E903 HydrophobicContact CG-CB 3.93Å; K255-E903 IonicContact NZ-OE2 3.91Å; K255-E903 PolarHBondContact NZ-OE2 2.96Å; A899-E903 VanDerWaalsContact O-CG 3.31Å; A899-E903 WeakPolarHBondContact O-CG 3.16Å; A899-E903 PolarHBondContact O-N 3.18Å; V900-E903 WeakPolarHBondContact O-CB 3.35Å; V900-E903 PolarHBondContact O-N 2.75Å; E903-A907 PolarHBondContact O-N 3.09Å |
| 904 | L | 75.7 | Confident | 74.4 | Confident | 23 Ų | 23 | 57.8 Ų | 57.8 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.2 | -56.6 | 179 | 176.3 | 65.2 | 0 | 0 | 0 | 113.5 | Q249 L252 V253 V900 Q901 K902 V906 A907 Q908 | Q249-L904 WeakPolarHBondContact O-CD1 3.39Å; L252-L904 HydrophobicContact CB-CB 3.6Å; L252-L904 HydrophobicContact CB-CD1 3.89Å; L252-L904 HydrophobicContact CB-CG 4.4Å; V253-L904 HydrophobicContact CB-CD1 4.11Å; V253-L904 HydrophobicContact CB-CD2 4.37Å; V253-L904 HydrophobicContact CG2-CD1 3.2Å; V253-L904 HydrophobicContact CG2-CD2 3.99Å; V253-L904 HydrophobicContact CG2-CG 4.2Å; V900-L904 PolarHBondContact O-N 3.47Å; Q901-L904 PolarHBondContact O-N 3.25Å; K902-L904 PolarHBondContact O-N 3.35Å; L904-V906 PolarHBondContact O-N 2.82Å; L904-A907 PolarHBondContact O-N 3.3Å; L904-Q908 HydrophobicContact CD1-CG 4.21Å; L904-Q908 HydrophobicContact CG-CG 4.29Å; L904-Q908 WeakPolarHBondContact O-CG 3.37Å; L904-Q908 PolarHBondContact O-N 3.48Å; L904-Q908 VanDerWaalsContact O-N 3.12Å |
| 905 | L | 69.7 | Low | 74.3 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.4 | -34.8 | -173.5 | -164.7 | 99.1 | 0 | 0 | 0 | 110.3 | Q901 K902 A907 Q908 K909 | Q901-L905 WeakPolarHBondContact O-CB 3.43Å; Q901-L905 PolarHBondContact O-N 2.81Å; K902-L905 PolarHBondContact O-N 3.34Å; L905-A907 VanDerWaalsContact C-N 3.28Å; L905-A907 PolarHBondContact O-N 3.42Å; L905-Q908 PolarHBondContact O-N 3.25Å; L905-K909 HydrophobicContact CD2-CD 3.59Å; L905-K909 HydrophobicContact CG-CD 3.64Å; L905-K909 VanDerWaalsContact CG-CE 3.43Å; L905-K909 HydrophobicContact CG-CG 4.01Å; L905-K909 WeakPolarHBondContact O-CA 3.25Å; L905-K909 WeakPolarHBondContact O-CB 3.2Å; L905-K909 WeakPolarHBondContact O-CG 3.28Å; L905-K909 PolarHBondContact O-N 3.34Å |
| 906 | V | 73.2 | Confident | 74 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.2 | -47.2 | 175.5 | 162.3 | 0 | 0 | 0 | 0 | 109.7 | K902 L904 Q910 | K902-V906 WeakPolarHBondContact O-CA 3.42Å; K902-V906 WeakPolarHBondContact O-CB 3.11Å; K902-V906 WeakPolarHBondContact O-CG2 2.95Å; K902-V906 PolarHBondContact O-N 3.03Å; L904-V906 PolarHBondContact O-N 2.82Å; V906-Q910 VanDerWaalsContact CG1-CD 3.48Å; V906-Q910 HydrophobicContact CG1-CG 4.44Å; V906-Q910 WeakPolarHBondContact O-CB 3.43Å; V906-Q910 WeakPolarHBondContact O-CG 3.32Å; V906-Q910 PolarHBondContact O-N 3.02Å; V906-Q910 PolarHBondContact O-OE1 3.13Å |
| 907 | A | 69.9 | Low | 73.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.9 | -45.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E248 Q249 L252 E903 L904 L905 K909 Q910 I911 | E248-A907 HydrophobicContact CB-CB 4.1Å; E248-A907 HydrophobicContact CG-CB 4.31Å; Q249-A907 HydrophobicContact CB-CB 3.63Å; L252-A907 HydrophobicContact CD1-CB 4.38Å; E903-A907 PolarHBondContact O-N 3.09Å; L904-A907 PolarHBondContact O-N 3.3Å; L905-A907 VanDerWaalsContact C-N 3.28Å; L905-A907 PolarHBondContact O-N 3.42Å; A907-K909 VanDerWaalsContact C-N 3.32Å; A907-K909 PolarHBondContact O-N 2.84Å; A907-Q910 PolarHBondContact O-N 3.39Å; A907-I911 WeakPolarHBondContact O-CD1 3.18Å; A907-I911 WeakPolarHBondContact O-CG1 3.34Å; A907-I911 PolarHBondContact O-N 2.95Å |
| 908 | Q | 75.6 | Confident | 73.8 | Confident | 73 Ų | 73 | 50.5 Ų | 50.5 | 34% | 0.341 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 177.7 | -35.8 | -153.8 | -49.9 | 0 | 0 | 111.3 | Q249 L904 L905 Q910 I911 A912 | Q249-Q908 VanDerWaalsContact CD-CG 3.49Å; Q249-Q908 HydrophobicContact CG-CB 4.4Å; Q249-Q908 HydrophobicContact CG-CG 3.71Å; Q249-Q908 VanDerWaalsContact NE2-CB 3.31Å; L904-Q908 HydrophobicContact CD1-CG 4.21Å; L904-Q908 HydrophobicContact CG-CG 4.29Å; L904-Q908 WeakPolarHBondContact O-CG 3.37Å; L904-Q908 PolarHBondContact O-N 3.48Å; L904-Q908 VanDerWaalsContact O-N 3.12Å; L905-Q908 PolarHBondContact O-N 3.25Å; Q908-Q910 VanDerWaalsContact C-N 3.34Å; Q908-I911 PolarHBondContact O-N 2.62Å; Q908-A912 WeakPolarHBondContact O-CB 3.39Å; Q908-A912 PolarHBondContact O-N 3.17Å; Q908-A912 VanDerWaalsContact O-N 3.09Å |
| 909 | K | 66.1 | Low | 74.2 | Confident | 120 Ų | 120 | 54.1 Ų | 54.1 | 52% | 0.522 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.8 | -37 | 178.9 | -75.1 | -177.1 | 170.4 | -174 | 0 | 111.1 | L905 A907 I911 A912 A913 | L905-K909 HydrophobicContact CD2-CD 3.59Å; L905-K909 HydrophobicContact CG-CD 3.64Å; L905-K909 VanDerWaalsContact CG-CE 3.43Å; L905-K909 HydrophobicContact CG-CG 4.01Å; L905-K909 WeakPolarHBondContact O-CA 3.25Å; L905-K909 WeakPolarHBondContact O-CB 3.2Å; L905-K909 WeakPolarHBondContact O-CG 3.28Å; L905-K909 PolarHBondContact O-N 3.34Å; A907-K909 VanDerWaalsContact C-N 3.32Å; A907-K909 PolarHBondContact O-N 2.84Å; K909-I911 PolarHBondContact O-N 3.43Å; K909-A912 PolarHBondContact O-N 3.42Å; K909-A913 VanDerWaalsContact O-CA 3.29Å; K909-A913 WeakPolarHBondContact O-CA 3.49Å; K909-A913 WeakPolarHBondContact O-CB 3.48Å; K909-A913 PolarHBondContact O-N 2.9Å |
| 910 | Q | 74.1 | Confident | 74.1 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 179.2 | -85.5 | 160.1 | -12.9 | 0 | 0 | 111.2 | K245 V906 A907 Q908 I914 | K245-Q910 HydrophobicContact CB-CB 3.74Å; K245-Q910 HydrophobicContact CD-CB 3.98Å; K245-Q910 HydrophobicContact CD-CG 4.21Å; K245-Q910 HydrophobicContact CG-CB 3.72Å; K245-Q910 HydrophobicContact CG-CG 4.31Å; K245-Q910 VanDerWaalsContact NZ-NE2 3.13Å; V906-Q910 VanDerWaalsContact CG1-CD 3.48Å; V906-Q910 HydrophobicContact CG1-CG 4.44Å; V906-Q910 WeakPolarHBondContact O-CB 3.43Å; V906-Q910 WeakPolarHBondContact O-CG 3.32Å; V906-Q910 PolarHBondContact O-N 3.02Å; V906-Q910 PolarHBondContact O-OE1 3.13Å; A907-Q910 PolarHBondContact O-N 3.39Å; Q908-Q910 VanDerWaalsContact C-N 3.34Å; Q910-I914 WeakPolarHBondContact O-CD1 3.38Å; Q910-I914 WeakPolarHBondContact O-CG1 3.31Å; Q910-I914 PolarHBondContact O-N 3.37Å |
| 911 | I | 73.6 | Confident | 74.3 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.077 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.3 | -59.6 | 178.7 | -58.8 | 152.3 | 0 | 0 | 0 | 111 | L242 K245 Q246 Q249 A907 Q908 K909 A913 I914 E915 | L242-I911 WeakPolarHBondContact CD1-O 3.28Å; K245-I911 VanDerWaalsContact C-CG1 3.48Å; K245-I911 HydrophobicContact CB-CG1 3.97Å; Q246-I911 VanDerWaalsContact CA-CD1 3.43Å; Q246-I911 HydrophobicContact CB-CD1 4.26Å; Q246-I911 HydrophobicContact CB-CG1 4.26Å; Q246-I911 HydrophobicContact CG-CB 4.21Å; Q246-I911 HydrophobicContact CG-CD1 3.97Å; Q246-I911 HydrophobicContact CG-CG1 3.65Å; Q246-I911 HydrophobicContact CG-CG2 3.53Å; Q249-I911 HydrophobicContact CB-CD1 4.37Å; A907-I911 WeakPolarHBondContact O-CD1 3.18Å; A907-I911 WeakPolarHBondContact O-CG1 3.34Å; A907-I911 PolarHBondContact O-N 2.95Å; Q908-I911 PolarHBondContact O-N 2.62Å; K909-I911 PolarHBondContact O-N 3.43Å; I911-A913 PolarHBondContact O-N 2.86Å; I911-I914 PolarHBondContact O-N 2.7Å; I911-E915 PolarHBondContact O-N 3.05Å; I911-E915 VanDerWaalsContact O-N 3.08Å |
| 912 | A | 75.5 | Confident | 74.5 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 45% | 0.446 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -33.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | Q908 K909 A916 | Q908-A912 WeakPolarHBondContact O-CB 3.39Å; Q908-A912 PolarHBondContact O-N 3.17Å; Q908-A912 VanDerWaalsContact O-N 3.09Å; K909-A912 PolarHBondContact O-N 3.42Å; A912-A916 WeakPolarHBondContact O-CA 3.28Å; A912-A916 WeakPolarHBondContact O-CB 3.32Å; A912-A916 PolarHBondContact O-N 3.1Å |
| 913 | A | 69.3 | Low | 75.1 | Confident | 54 Ų | 54 | 60 Ų | 60 | 45% | 0.446 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.2 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K909 I911 S917 | K909-A913 VanDerWaalsContact O-CA 3.29Å; K909-A913 WeakPolarHBondContact O-CA 3.49Å; K909-A913 WeakPolarHBondContact O-CB 3.48Å; K909-A913 PolarHBondContact O-N 2.9Å; I911-A913 PolarHBondContact O-N 2.86Å; A913-S917 WeakPolarHBondContact O-CA 3.42Å; A913-S917 WeakPolarHBondContact O-CB 3.35Å; A913-S917 PolarHBondContact O-N 2.86Å |
| 914 | I | 74.9 | Confident | 75.4 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.5 | -43 | 179.9 | -62.7 | 156.8 | 0 | 0 | 0 | 110.3 | Q238 E241 L242 K245 Q910 I911 S917 L918 | Q238-I914 HydrophobicContact CB-CG2 4.22Å; Q238-I914 WeakPolarHBondContact O-CG2 3.49Å; E241-I914 HydrophobicContact CB-CD1 3.92Å; E241-I914 HydrophobicContact CB-CG1 4.44Å; E241-I914 HydrophobicContact CG-CD1 3.64Å; E241-I914 HydrophobicContact CG-CG1 4.4Å; L242-I914 HydrophobicContact CB-CB 4.21Å; L242-I914 HydrophobicContact CB-CG2 3.53Å; L242-I914 HydrophobicContact CD1-CB 3.66Å; L242-I914 HydrophobicContact CD1-CG2 3.81Å; L242-I914 HydrophobicContact CG-CG2 4.28Å; K245-I914 HydrophobicContact CB-CD1 4.48Å; K245-I914 HydrophobicContact CG-CD1 4.26Å; Q910-I914 WeakPolarHBondContact O-CD1 3.38Å; Q910-I914 WeakPolarHBondContact O-CG1 3.31Å; Q910-I914 PolarHBondContact O-N 3.37Å; I911-I914 PolarHBondContact O-N 2.7Å; I914-S917 PolarHBondContact O-N 3.37Å; I914-L918 HydrophobicContact CG2-CD1 4.5Å; I914-L918 WeakPolarHBondContact O-CG 3.47Å; I914-L918 PolarHBondContact O-N 3.44Å |
| 915 | E | 77.5 | Confident | 75.7 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.4 | -52.7 | 174.5 | -99.4 | 155.8 | -156.5 | 0 | 0 | 111.7 | L242 Q246 I911 S917 L918 E919 | L242-E915 HydrophobicContact CD1-CB 4.05Å; L242-E915 HydrophobicContact CD1-CG 3.52Å; L242-E915 HydrophobicContact CD2-CG 3.85Å; L242-E915 HydrophobicContact CG-CG 4.32Å; Q246-E915 PolarHBondContact NE2-OE1 3.49Å; I911-E915 PolarHBondContact O-N 3.05Å; I911-E915 VanDerWaalsContact O-N 3.08Å; E915-S917 PolarHBondContact O-N 2.89Å; E915-L918 PolarHBondContact O-N 2.95Å; E915-E919 PolarHBondContact O-N 3.49Å; E915-E919 VanDerWaalsContact O-N 3.16Å |
| 916 | A | 74.4 | Confident | 76.3 | Confident | 56 Ų | 56 | 58.3 Ų | 58.3 | 46% | 0.463 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.1 | -36.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A912 Q920 | A912-A916 WeakPolarHBondContact O-CA 3.28Å; A912-A916 WeakPolarHBondContact O-CB 3.32Å; A912-A916 PolarHBondContact O-N 3.1Å; A916-Q920 WeakPolarHBondContact O-CB 3.47Å; A916-Q920 PolarHBondContact O-N 3.43Å |
| 917 | S | 77.4 | Confident | 76.7 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.2 | -35.7 | 179.1 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | Q238 A913 I914 E915 Q920 K921 | Q238-S917 PolarHBondContact NE2-OG 2.94Å; Q238-S917 VanDerWaalsContact OE1-C 3.31Å; Q238-S917 PolarHBondContact OE1-O 3.41Å; Q238-S917 PolarHBondContact OE1-OG 3.3Å; A913-S917 WeakPolarHBondContact O-CA 3.42Å; A913-S917 WeakPolarHBondContact O-CB 3.35Å; A913-S917 PolarHBondContact O-N 2.86Å; I914-S917 PolarHBondContact O-N 3.37Å; E915-S917 PolarHBondContact O-N 2.89Å; S917-Q920 CarbonylContact O-C 3.43Å; S917-Q920 PolarHBondContact O-N 2.92Å; S917-K921 WeakPolarHBondContact O-CB 3.47Å; S917-K921 VanDerWaalsContact O-CG 3.24Å; S917-K921 WeakPolarHBondContact O-CG 3.49Å; S917-K921 PolarHBondContact O-N 3.35Å |
| 918 | L | 77 | Confident | 77.3 | Confident | 23 Ų | 23 | 58.8 Ų | 58.8 | 12% | 0.12 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 175.7 | -79.9 | 167.1 | 0 | 0 | 0 | 112.7 | T235 Q238 V239 I914 E915 Q920 K921 R922 | T235-L918 HydrophobicContact CG2-CD2 4.21Å; Q238-L918 HydrophobicContact CB-CD2 3.72Å; Q238-L918 HydrophobicContact CB-CG 3.88Å; V239-L918 HydrophobicContact CB-CD2 4.47Å; V239-L918 HydrophobicContact CG2-CD1 4.07Å; V239-L918 HydrophobicContact CG2-CD2 3.45Å; V239-L918 VanDerWaalsContact CG2-CD2 3.45Å; V239-L918 HydrophobicContact CG2-CG 4.43Å; I914-L918 HydrophobicContact CG2-CD1 4.5Å; I914-L918 WeakPolarHBondContact O-CG 3.47Å; I914-L918 PolarHBondContact O-N 3.44Å; E915-L918 PolarHBondContact O-N 2.95Å; L918-Q920 VanDerWaalsContact C-N 3.31Å; L918-K921 PolarHBondContact O-N 3.42Å; L918-R922 PolarHBondContact O-N 2.95Å; L918-R922 VanDerWaalsContact O-N 3.13Å |
| 919 | E | 79.4 | Confident | 77.6 | Confident | 108 Ų | 108 | 55.4 Ų | 55.4 | 51% | 0.505 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 175.8 | -163.3 | 129 | -148.2 | 0 | 0 | 110.5 | E915 K921 R922 L923 | E915-E919 PolarHBondContact O-N 3.49Å; E915-E919 VanDerWaalsContact O-N 3.16Å; E919-K921 VanDerWaalsContact C-N 3.34Å; E919-K921 PolarHBondContact O-N 2.83Å; E919-R922 PolarHBondContact O-N 3.22Å; E919-L923 WeakPolarHBondContact O-CB 3.38Å; E919-L923 PolarHBondContact O-N 3.31Å |
| 920 | Q | 77.2 | Confident | 78.2 | Confident | 102 Ų | 102 | 54.2 Ų | 54.2 | 48% | 0.477 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 171.8 | -176.1 | -177 | -18.4 | 0 | 0 | 111.5 | A916 S917 L918 L923 E924 | A916-Q920 WeakPolarHBondContact O-CB 3.47Å; A916-Q920 PolarHBondContact O-N 3.43Å; S917-Q920 CarbonylContact O-C 3.43Å; S917-Q920 PolarHBondContact O-N 2.92Å; L918-Q920 VanDerWaalsContact C-N 3.31Å; Q920-L923 PolarHBondContact O-N 3.49Å; Q920-E924 HydrophobicContact CG-CG 4.19Å; Q920-E924 WeakPolarHBondContact CG-OE1 3.33Å; Q920-E924 PolarHBondContact NE2-OE1 3.24Å; Q920-E924 VanDerWaalsContact O-CB 3.24Å; Q920-E924 WeakPolarHBondContact O-CB 3.49Å; Q920-E924 VanDerWaalsContact O-CG 3.23Å; Q920-E924 WeakPolarHBondContact O-CG 3.34Å; Q920-E924 PolarHBondContact O-N 2.84Å |
| 921 | K | 80.3 | Confident | 78.4 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 10% | 0.104 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 178.8 | -74 | -35 | -173.6 | -171.6 | 0 | 112.4 | N231 T235 S917 L918 E919 E924 R925 | N231-K921 PolarHBondContact ND2-O 2.99Å; N231-K921 PolarHBondContact OD1-O 2.96Å; T235-K921 VanDerWaalsContact OG1-CB 3.3Å; T235-K921 WeakPolarHBondContact OG1-CB 3.26Å; S917-K921 WeakPolarHBondContact O-CB 3.47Å; S917-K921 VanDerWaalsContact O-CG 3.24Å; S917-K921 WeakPolarHBondContact O-CG 3.49Å; S917-K921 PolarHBondContact O-N 3.35Å; L918-K921 PolarHBondContact O-N 3.42Å; E919-K921 VanDerWaalsContact C-N 3.34Å; E919-K921 PolarHBondContact O-N 2.83Å; K921-E924 WeakPolarHBondContact CD-OE2 3.43Å; K921-E924 IonicContact NZ-OE1 3.08Å; K921-E924 PolarHBondContact NZ-OE1 3.45Å; K921-E924 IonicContact NZ-OE2 2.75Å; K921-E924 PolarHBondContact NZ-OE2 3.41Å; K921-E924 WeakPolarHBondContact O-CB 3.44Å; K921-E924 PolarHBondContact O-N 3.27Å; K921-R925 PolarHBondContact O-N 3.49Å |
| 922 | R | 79.8 | Confident | 78.7 | Confident | 128 Ų | 128 | 52.5 Ų | 52.5 | 48% | 0.483 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 174.9 | -67.9 | 173.5 | 177.4 | 176 | -0.8 | 112 | L918 E919 R925 H926 F983 | L918-R922 PolarHBondContact O-N 2.95Å; L918-R922 VanDerWaalsContact O-N 3.13Å; E919-R922 PolarHBondContact O-N 3.22Å; R922-R925 PolarHBondContact O-N 3.31Å; R922-H926 PolarHBondContact O-N 2.86Å; R922-F983 HydrophobicContact CB-CD1 3.91Å; R922-F983 HydrophobicContact CB-CE1 3.75Å; R922-F983 HydrophobicContact CB-CE2 4.38Å; R922-F983 HydrophobicContact CB-CG 4.32Å; R922-F983 HydrophobicContact CB-CZ 3.99Å |
| 923 | L | 81.6 | Confident | 78.7 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 52% | 0.518 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 177.1 | -167.1 | 140.9 | 0 | 0 | 0 | 111.9 | E919 Q920 H926 S927 | E919-L923 WeakPolarHBondContact O-CB 3.38Å; E919-L923 PolarHBondContact O-N 3.31Å; Q920-L923 PolarHBondContact O-N 3.49Å; L923-H926 PolarHBondContact O-N 3.39Å; L923-S927 VanDerWaalsContact O-CB 3.3Å; L923-S927 WeakPolarHBondContact O-CB 3.47Å; L923-S927 PolarHBondContact O-N 3.05Å; L923-S927 PolarHBondContact O-OG 3.01Å |
| 924 | E | 80.8 | Confident | 78.9 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 25% | 0.248 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 171.9 | -82.3 | 174.4 | -163.2 | 0 | 0 | 110.7 | N231 Q920 K921 H926 S927 L928 | N231-E924 WeakPolarHBondContact ND2-CB 3.32Å; N231-E924 PolarHBondContact ND2-OE2 2.87Å; N231-E924 VanDerWaalsContact ND2-OE2 3.1Å; Q920-E924 HydrophobicContact CG-CG 4.19Å; Q920-E924 WeakPolarHBondContact CG-OE1 3.33Å; Q920-E924 PolarHBondContact NE2-OE1 3.24Å; Q920-E924 VanDerWaalsContact O-CB 3.24Å; Q920-E924 WeakPolarHBondContact O-CB 3.49Å; Q920-E924 VanDerWaalsContact O-CG 3.23Å; Q920-E924 WeakPolarHBondContact O-CG 3.34Å; Q920-E924 PolarHBondContact O-N 2.84Å; K921-E924 WeakPolarHBondContact CD-OE2 3.43Å; K921-E924 IonicContact NZ-OE1 3.08Å; K921-E924 PolarHBondContact NZ-OE1 3.45Å; K921-E924 IonicContact NZ-OE2 2.75Å; K921-E924 PolarHBondContact NZ-OE2 3.41Å; K921-E924 WeakPolarHBondContact O-CB 3.44Å; K921-E924 PolarHBondContact O-N 3.27Å; E924-H926 PolarHBondContact O-N 2.93Å; E924-S927 PolarHBondContact O-N 3.16Å; E924-L928 WeakPolarHBondContact O-CB 3.45Å; E924-L928 WeakPolarHBondContact O-CG 3.08Å; E924-L928 PolarHBondContact O-N 3.16Å |
| 925 | R | 82.3 | Confident | 78.7 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 23% | 0.234 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.4 | -47.7 | 177.5 | 177.5 | 173 | 162.7 | 160.1 | -6.3 | 111.6 | D232 K921 R922 S927 L928 L929 D986 | D232-R925 IonicContact OD1-CZ 3.97Å; D232-R925 IonicContact OD1-NE 2.75Å; D232-R925 IonicContact OD1-NH1 2.71Å; D232-R925 PolarHBondContact OD1-NH1 3Å; K921-R925 PolarHBondContact O-N 3.49Å; R922-R925 PolarHBondContact O-N 3.31Å; R925-S927 VanDerWaalsContact C-N 3.33Å; R925-S927 PolarHBondContact O-N 2.99Å; R925-L928 PolarHBondContact O-N 2.92Å; R925-L929 PolarHBondContact O-N 3.11Å; R925-L929 VanDerWaalsContact O-N 3.07Å; R925-D986 PolarHBondContact NH2-O 3.1Å |
| 926 | H | 83 | Confident | 78.5 | Confident | 24 Ų | 24 | 63.4 Ų | 63.4 | 11% | 0.111 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 174.8 | -172.6 | 69.1 | 0 | 0 | 0 | 111.5 | R922 L923 E924 L928 L929 Q930 M982 D986 | R922-H926 PolarHBondContact O-N 2.86Å; L923-H926 PolarHBondContact O-N 3.39Å; E924-H926 PolarHBondContact O-N 2.93Å; H926-L928 VanDerWaalsContact C-N 3.29Å; H926-L928 PolarHBondContact O-N 3.3Å; H926-L929 PolarHBondContact O-N 3.44Å; H926-Q930 WeakPolarHBondContact O-CB 3Å; H926-Q930 PolarHBondContact O-N 3.28Å; H926-M982 WeakPolarHBondContact NE2-CE 3.2Å; H926-D986 VanDerWaalsContact CA-OD2 3.28Å; H926-D986 WeakPolarHBondContact CA-OD2 2.98Å; H926-D986 WeakPolarHBondContact CB-OD2 3.25Å; H926-D986 IonicContact CE1-OD1 3.2Å; H926-D986 IonicContact CG-OD2 3.1Å; H926-D986 VanDerWaalsContact CG-OD2 3.32Å; H926-D986 IonicContact ND1-OD1 2.83Å; H926-D986 PolarHBondContact ND1-OD1 3.43Å; H926-D986 IonicContact ND1-OD2 3.41Å; H926-D986 PolarHBondContact ND1-OD2 2.66Å |
| 927 | S | 81.8 | Confident | 78.5 | Confident | 49 Ų | 49 | 61.5 Ų | 61.5 | 34% | 0.343 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 179.9 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | L923 E924 R925 A931 | L923-S927 VanDerWaalsContact O-CB 3.3Å; L923-S927 WeakPolarHBondContact O-CB 3.47Å; L923-S927 PolarHBondContact O-N 3.05Å; L923-S927 PolarHBondContact O-OG 3.01Å; E924-S927 PolarHBondContact O-N 3.16Å; R925-S927 VanDerWaalsContact C-N 3.33Å; R925-S927 PolarHBondContact O-N 2.99Å; S927-A931 WeakPolarHBondContact O-CB 3.35Å; S927-A931 PolarHBondContact O-N 3.44Å |
| 928 | L | 82.5 | Confident | 78.3 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 12% | 0.115 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 176.5 | -72.8 | 169.7 | 0 | 0 | 0 | 111 | Q227 L228 N231 E924 R925 H926 A931 C932 | Q227-L928 HydrophobicContact CB-CD1 3.92Å; Q227-L928 HydrophobicContact CB-CD2 3.81Å; Q227-L928 HydrophobicContact CG-CD2 4.39Å; L228-L928 HydrophobicContact CD2-CB 3.67Å; L228-L928 HydrophobicContact CD2-CD1 4.01Å; L228-L928 HydrophobicContact CD2-CG 4.49Å; L228-L928 HydrophobicContact CG-CB 4.09Å; L228-L928 HydrophobicContact CG-CD1 4.18Å; N231-L928 HydrophobicContact CB-CD1 4.38Å; E924-L928 WeakPolarHBondContact O-CB 3.45Å; E924-L928 WeakPolarHBondContact O-CG 3.08Å; E924-L928 PolarHBondContact O-N 3.16Å; R925-L928 PolarHBondContact O-N 2.92Å; H926-L928 VanDerWaalsContact C-N 3.29Å; H926-L928 PolarHBondContact O-N 3.3Å; L928-A931 PolarHBondContact O-N 3.11Å; L928-C932 PolarHBondContact O-N 3.1Å; L928-C932 PolarHBondContact O-SG 3.03Å |
| 929 | L | 81.1 | Confident | 78.4 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.6 | -44.7 | 176.9 | -69.7 | 172.9 | 0 | 0 | 0 | 111.4 | L228 R925 H926 A931 C932 V933 F949 D986 I989 I991 | L228-L929 HydrophobicContact CD1-CD2 4.45Å; L228-L929 HydrophobicContact CD2-CD2 4.3Å; L228-L929 HydrophobicContact CD2-CG 4.32Å; R925-L929 PolarHBondContact O-N 3.11Å; R925-L929 VanDerWaalsContact O-N 3.07Å; H926-L929 PolarHBondContact O-N 3.44Å; L929-A931 VanDerWaalsContact C-N 3.33Å; L929-A931 PolarHBondContact O-N 3.12Å; L929-C932 WeakPolarHBondContact O-CB 3.49Å; L929-C932 PolarHBondContact O-N 3.18Å; L929-V933 WeakPolarHBondContact O-CG2 3.2Å; L929-V933 PolarHBondContact O-N 3.49Å; L929-V933 VanDerWaalsContact O-N 3.13Å; L929-F949 HydrophobicContact CB-CE2 4.33Å; L929-F949 HydrophobicContact CB-CZ 4.01Å; L929-D986 HydrophobicContact CD1-CB 4.22Å; L929-I989 HydrophobicContact CD1-CD1 4.41Å; L929-I991 HydrophobicContact CD2-CD1 4.34Å |
| 930 | Q | 78.8 | Confident | 78.3 | Confident | 95 Ų | 95 | 63.7 Ų | 63.7 | 44% | 0.444 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 175.1 | -169 | -178.3 | 20.9 | 0 | 0 | 111.9 | H926 C932 V933 M934 | H926-Q930 WeakPolarHBondContact O-CB 3Å; H926-Q930 PolarHBondContact O-N 3.28Å; Q930-C932 VanDerWaalsContact C-N 3.33Å; Q930-C932 PolarHBondContact O-N 2.93Å; Q930-V933 PolarHBondContact O-N 3.14Å; Q930-M934 WeakPolarHBondContact O-CB 3.38Å; Q930-M934 WeakPolarHBondContact O-CG 3.42Å; Q930-M934 PolarHBondContact O-N 3.12Å |
| 931 | A | 78.7 | Confident | 78.3 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 22% | 0.223 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S927 L928 L929 V933 M934 Q935 | S927-A931 WeakPolarHBondContact O-CB 3.35Å; S927-A931 PolarHBondContact O-N 3.44Å; L928-A931 PolarHBondContact O-N 3.11Å; L929-A931 VanDerWaalsContact C-N 3.33Å; L929-A931 PolarHBondContact O-N 3.12Å; A931-V933 VanDerWaalsContact C-N 3.31Å; A931-V933 PolarHBondContact O-N 3.06Å; A931-M934 PolarHBondContact O-N 2.97Å; A931-Q935 VanDerWaalsContact O-CB 3.24Å; A931-Q935 WeakPolarHBondContact O-CB 3.27Å; A931-Q935 WeakPolarHBondContact O-CG 3.28Å; A931-Q935 PolarHBondContact O-N 3.24Å |
| 932 | C | 78.7 | Confident | 78.1 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 174.7 | -63 | 0 | 0 | 0 | 0 | 111.7 | H224 L928 L929 Q930 D936 V937 L939 W946 | H224-C932 PolarHBondContact CD2-SG 3.08Å; L928-C932 PolarHBondContact O-N 3.1Å; L928-C932 PolarHBondContact O-SG 3.03Å; L929-C932 WeakPolarHBondContact O-CB 3.49Å; L929-C932 PolarHBondContact O-N 3.18Å; Q930-C932 VanDerWaalsContact C-N 3.33Å; Q930-C932 PolarHBondContact O-N 2.93Å; C932-D936 PolarHBondContact O-N 3.16Å; C932-V937 PolarHBondContact O-N 2.77Å; C932-L939 HydrophobicContact CB-CD1 4.32Å; C932-L939 HydrophobicContact CB-CG 4.47Å; C932-W946 HydrophobicContact CB-CH2 4.22Å; C932-W946 HydrophobicContact CB-CZ3 4.43Å |
| 933 | V | 75.7 | Confident | 77.7 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.1 | -44.9 | 176.8 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | L929 Q930 A931 Q935 D936 W946 F949 | L929-V933 WeakPolarHBondContact O-CG2 3.2Å; L929-V933 PolarHBondContact O-N 3.49Å; L929-V933 VanDerWaalsContact O-N 3.13Å; Q930-V933 PolarHBondContact O-N 3.14Å; A931-V933 VanDerWaalsContact C-N 3.31Å; A931-V933 PolarHBondContact O-N 3.06Å; V933-Q935 VanDerWaalsContact C-N 3.3Å; V933-Q935 PolarHBondContact O-N 2.8Å; V933-D936 PolarHBondContact O-N 2.72Å; V933-W946 HydrophobicContact CG2-CE3 3.91Å; V933-W946 HydrophobicContact CG2-CZ3 3.88Å; V933-F949 HydrophobicContact CG1-CB 4.39Å; V933-F949 HydrophobicContact CG2-CB 4.01Å; V933-F949 HydrophobicContact CG2-CD2 4.25Å; V933-F949 HydrophobicContact CG2-CG 4.03Å |
| 934 | M | 73.9 | Confident | 77.1 | Confident | 154 Ų | 154 | 62.7 Ų | 62.7 | 76% | 0.759 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.1 | -29.5 | 179.5 | -73.3 | -68.4 | -70.5 | 0 | 0 | 113.3 | Q930 A931 | Q930-M934 WeakPolarHBondContact O-CB 3.38Å; Q930-M934 WeakPolarHBondContact O-CG 3.42Å; Q930-M934 PolarHBondContact O-N 3.12Å; A931-M934 PolarHBondContact O-N 2.97Å |
| 935 | Q | 71 | Confident | 76.5 | Confident | 93 Ų | 93 | 63.8 Ų | 63.8 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 4.9 | -178.3 | -64.9 | 176.9 | 0.4 | 0 | 0 | 113.2 | H224 A931 V933 V937 | H224-Q935 PolarHBondContact CE1-OE1 3.48Å; H224-Q935 PolarHBondContact NE2-OE1 3.05Å; A931-Q935 VanDerWaalsContact O-CB 3.24Å; A931-Q935 WeakPolarHBondContact O-CB 3.27Å; A931-Q935 WeakPolarHBondContact O-CG 3.28Å; A931-Q935 PolarHBondContact O-N 3.24Å; V933-Q935 VanDerWaalsContact C-N 3.3Å; V933-Q935 PolarHBondContact O-N 2.8Å; Q935-V937 HydrophobicContact CB-CG2 3.7Å; Q935-V937 PolarHBondContact O-N 3.14Å |
| 936 | D | 73.8 | Confident | 75.8 | Confident | 131 Ų | 131 | 64 Ų | 64 | 70% | 0.701 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 36.7 | -175.8 | -161 | 17.3 | 0 | 0 | 0 | 112.8 | C932 V933 K938 | C932-D936 PolarHBondContact O-N 3.16Å; V933-D936 PolarHBondContact O-N 2.72Å; D936-K938 PolarHBondContact O-N 3.05Å |
| 937 | V | 73.5 | Confident | 74.8 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 10% | 0.097 | 36% | 0.361 | C | S | . | . | trans | -91.4 | 103.5 | -178.9 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | Q220 K221 C932 Q935 L939 | Q220-V937 HydrophobicContact CB-CG2 4.46Å; K221-V937 HydrophobicContact CB-CG1 4.12Å; K221-V937 HydrophobicContact CG-CG1 4.43Å; C932-V937 PolarHBondContact O-N 2.77Å; Q935-V937 HydrophobicContact CB-CG2 3.7Å; Q935-V937 PolarHBondContact O-N 3.14Å; V937-L939 HydrophobicContact CG1-CD2 4Å; V937-L939 PolarHBondContact O-N 3.35Å; V937-L939 VanDerWaalsContact O-N 3.17Å | ||
| 938 | K | 74.3 | Confident | 73.7 | Confident | 157 Ų | 157 | 70.3 Ų | 70.3 | 68% | 0.683 | 37% | 0.366 | S | S | * | . | trans | -74.7 | 102.5 | 179.6 | -63.3 | -179.2 | -177.9 | 177.1 | 0 | 111.7 | D936 | D936-K938 PolarHBondContact O-N 3.05Š| ||
| 939 | L | 77.7 | Confident | 72.4 | Confident | 10 Ų | 10 | 71 Ų | 71 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | trans | -84.8 | 148.9 | 173.1 | -49.7 | 179.8 | 0 | 0 | 0 | 112.1 | K221 H224 L225 L228 C932 V937 W946 | K221-L939 HydrophobicContact CG-CD2 4.46Å; H224-L939 HydrophobicContact CB-CD2 4.24Å; L225-L939 HydrophobicContact CD2-CD2 4.45Å; L225-L939 HydrophobicContact CG-CD2 4.15Å; L228-L939 HydrophobicContact CD1-CD1 3.56Å; C932-L939 HydrophobicContact CB-CD1 4.32Å; C932-L939 HydrophobicContact CB-CG 4.47Å; V937-L939 HydrophobicContact CG1-CD2 4Å; V937-L939 PolarHBondContact O-N 3.35Å; V937-L939 VanDerWaalsContact O-N 3.17Å; L939-W946 HydrophobicContact CB-CH2 4.22Å; L939-W946 HydrophobicContact CB-CZ2 3.8Å; L939-W946 HydrophobicContact CD1-CH2 4.13Å; L939-W946 HydrophobicContact CG-CH2 4.12Å; L939-W946 HydrophobicContact CG-CZ2 4.17Å | ||
| 940 | P | 77.4 | Confident | 70.9 | Confident | 28 Ų | 28 | 75 Ų | 75 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | trans | -72.6 | 134 | 171.6 | 32 | -35.5 | 0 | 0 | 0 | 111.5 | L225 D992 T995 | L225-P940 HydrophobicContact CD1-CG 4.48Å; L225-P940 HydrophobicContact CD2-CG 4.28Å; P940-D992 HydrophobicContact CB-CB 4.09Å; P940-D992 HydrophobicContact CG-CB 4.45Å; P940-D992 WeakPolarHBondContact CG-O 3.45Å; P940-D992 PolarHBondContact O-N 3.12Å; P940-T995 WeakPolarHBondContact CG-OG1 3.44Å | ||
| 941 | L | 77.2 | Confident | 69.4 | Low | 51 Ų | 51 | 74 Ų | 74 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.2 | -173.4 | -64.8 | 175.8 | 0 | 0 | 0 | 111.7 | W946 I989 | L941-W946 HydrophobicContact CD1-CD2 4.41Å; L941-W946 HydrophobicContact CD1-CG 4.3Å; L941-W946 HydrophobicContact CD1-CZ2 4.43Å; L941-W946 VanDerWaalsContact CD1-NE1 3.3Å; L941-W946 HydrophobicContact CD2-CZ2 4.16Å; L941-W946 HydrophobicContact CG-CZ2 4.39Å; L941-I989 HydrophobicContact CD2-CG2 3.97Å |
| 942 | I | 75.7 | Confident | 67.9 | Low | 101 Ų | 101 | 77.4 Ų | 77.4 | 52% | 0.518 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -45.6 | 169.6 | -57.5 | 176.5 | 0 | 0 | 0 | 110.5 | Q990 I991 D992 | I942-Q990 HydrophobicContact CB-CB 4.18Å; I942-Q990 PolarHBondContact N-O 2.84Å; I942-I991 WeakPolarHBondContact CD1-O 3.48Å; I942-D992 HydrophobicContact CD1-CB 4.36Å; I942-D992 HydrophobicContact CG1-CB 3.61Å |
| 943 | K | 71.8 | Confident | 66.1 | Low | 142 Ų | 142 | 80.4 Ų | 80.4 | 62% | 0.617 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 140.8 | 178.8 | -92 | -177.8 | 174.8 | 178.3 | 0 | 110.6 | Q990 | K943-Q990 HydrophobicContact CB-CB 4.15Å; K943-Q990 HydrophobicContact CB-CG 4.45Å; K943-Q990 PolarHBondContact N-O 3.11Å; K943-Q990 PolarHBondContact O-N 2.73Å |
| 944 | G | 68.6 | Low | 64.3 | Low | 39 Ų | 39 | 85.4 Ų | 85.4 | 40% | 0.402 | 48% | 0.477 | S | S | . | . | trans | 114.3 | 164 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 945 | T | 68.8 | Low | 62.6 | Low | 76 Ų | 76 | 81.4 Ų | 81.4 | 47% | 0.466 | 48% | 0.476 | S | S | . | . | trans | -125.5 | 139.1 | 177.6 | -48.4 | 0 | 0 | 0 | 0 | 109.1 | D947 L948 | T945-D947 HydrophobicContact CG2-CB 3.83Å; T945-D947 WeakPolarHBondContact CG2-OD2 3.03Å; T945-D947 PolarHBondContact O-N 3.15Å; T945-L948 WeakPolarHBondContact O-CD1 3.45Å; T945-L948 PolarHBondContact O-N 3.06Å | ||
| 946 | W | 68.1 | Low | 61.1 | Low | 67 Ų | 67 | 83.7 Ų | 83.7 | 25% | 0.254 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -61.6 | -22 | 175.5 | -70.1 | 107.1 | 0 | 0 | 0 | 113.5 | C932 V933 L939 L941 L948 F949 | C932-W946 HydrophobicContact CB-CH2 4.22Å; C932-W946 HydrophobicContact CB-CZ3 4.43Å; V933-W946 HydrophobicContact CG2-CE3 3.91Å; V933-W946 HydrophobicContact CG2-CZ3 3.88Å; L939-W946 HydrophobicContact CB-CH2 4.22Å; L939-W946 HydrophobicContact CB-CZ2 3.8Å; L939-W946 HydrophobicContact CD1-CH2 4.13Å; L939-W946 HydrophobicContact CG-CH2 4.12Å; L939-W946 HydrophobicContact CG-CZ2 4.17Å; L941-W946 HydrophobicContact CD1-CD2 4.41Å; L941-W946 HydrophobicContact CD1-CG 4.3Å; L941-W946 HydrophobicContact CD1-CZ2 4.43Å; L941-W946 VanDerWaalsContact CD1-NE1 3.3Å; L941-W946 HydrophobicContact CD2-CZ2 4.16Å; L941-W946 HydrophobicContact CG-CZ2 4.39Å; W946-L948 PolarHBondContact O-N 3.21Å; W946-F949 PolarHBondContact O-N 2.87Å |
| 947 | D | 61.4 | Low | 59.3 | Low | 119 Ų | 119 | 88.5 Ų | 88.5 | 64% | 0.636 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -58.6 | -17.8 | 176.6 | -67.1 | -23.5 | 0 | 0 | 0 | 113.7 | T945 F949 C950 | T945-D947 HydrophobicContact CG2-CB 3.83Å; T945-D947 WeakPolarHBondContact CG2-OD2 3.03Å; T945-D947 PolarHBondContact O-N 3.15Å; D947-F949 PolarHBondContact O-N 3.43Å; D947-C950 PolarHBondContact O-N 3.3Å |
| 948 | L | 58.6 | Low | 57.5 | Low | 86 Ų | 86 | 97 Ų | 97 | 45% | 0.45 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -64.9 | -20.9 | 173.9 | -83.7 | 100.2 | 0 | 0 | 0 | 113.6 | T945 W946 | T945-L948 WeakPolarHBondContact O-CD1 3.45Å; T945-L948 PolarHBondContact O-N 3.06Å; W946-L948 PolarHBondContact O-N 3.21Å |
| 949 | F | 56.1 | Low | 55.5 | Low | 36 Ų | 36 | 94.1 Ų | 94.1 | 16% | 0.158 | 54% | 0.537 | C | S | . | . | G | 310 helix | trans | -95.8 | -12.5 | 176.2 | -81.7 | -83.3 | 0 | 0 | 0 | 113.8 | L929 V933 W946 D947 I989 | L929-F949 HydrophobicContact CB-CE2 4.33Å; L929-F949 HydrophobicContact CB-CZ 4.01Å; V933-F949 HydrophobicContact CG1-CB 4.39Å; V933-F949 HydrophobicContact CG2-CB 4.01Å; V933-F949 HydrophobicContact CG2-CD2 4.25Å; V933-F949 HydrophobicContact CG2-CG 4.03Å; W946-F949 PolarHBondContact O-N 2.87Å; D947-F949 PolarHBondContact O-N 3.43Å; F949-I989 HydrophobicContact CD2-CD1 4.27Å; F949-I989 HydrophobicContact CE2-CD1 3.55Å |
| 950 | C | 50.1 | Low | 53.5 | Low | 87 Ų | 87 | 102.7 Ų | 102.7 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -81.1 | -15.4 | -176.2 | -69.8 | 0 | 0 | 0 | 0 | 113.7 | D947 T952 | D947-C950 PolarHBondContact O-N 3.3Å; C950-T952 PolarHBondContact O-N 2.72Å |
| 951 | G | 46.2 | Very low | 51.3 | Low | 72 Ų | 72 | 108.8 Ų | 108.8 | 74% | 0.742 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -79.3 | -6.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 952 | T | 46.6 | Very low | 49.1 | Very low | 99 Ų | 99 | 113.5 Ų | 113.5 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -116.2 | 0.5 | -173.5 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | C950 | C950-T952 PolarHBondContact O-N 2.72Š|
| 953 | A | 40.9 | Very low | 47 | Very low | 64 Ų | 64 | 114.4 Ų | 114.4 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.6 | -15.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 954 | D | 39.5 | Very low | 45 | Very low | 165 Ų | 165 | 112.4 Ų | 112.4 | 88% | 0.882 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -8.9 | -179.3 | -92.9 | -17.6 | 0 | 0 | 0 | 114.4 | ||
| 955 | G | 38.4 | Very low | 43.2 | Very low | 70 Ų | 70 | 116 Ų | 116 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -95.1 | -10.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 956 | L | 38.3 | Very low | 41.6 | Very low | 142 Ų | 142 | 117.1 Ų | 117.1 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -115.5 | 4.6 | -165.8 | -84.9 | 142.2 | 0 | 0 | 0 | 115.3 | Q958 | L956-Q958 PolarHBondContact O-N 2.89Š|
| 957 | R | 35.6 | Very low | 40.1 | Very low | 232 Ų | 232 | 119.4 Ų | 119.4 | 88% | 0.875 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 4.9 | -178.9 | -79.6 | -176 | 168.5 | -171.8 | -2.2 | 115.6 | ||
| 958 | Q | 35.5 | Very low | 38.6 | Very low | 195 Ų | 195 | 119 Ų | 119 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 6.3 | -168.7 | -92.2 | -176.8 | -0.6 | 0 | 0 | 118 | L956 | L956-Q958 PolarHBondContact O-N 2.89Š|
| 959 | S | 34 | Very low | 37.2 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | trans | -138.2 | 20.9 | -165.9 | 67.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 960 | Q | 34.4 | Very low | 36.1 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | -130.8 | 51.9 | 175.2 | -71.8 | -169.6 | -3.7 | 0 | 0 | 114.5 | ||||
| 961 | N | 30.8 | Very low | 35.3 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -108.9 | 100.2 | 145.2 | -102.1 | -4.9 | 0 | 0 | 0 | 105.3 | ||
| 962 | D | 31.9 | Very low | 34.7 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 155.3 | 141.4 | 144.6 | -81 | -24.3 | 0 | 0 | 0 | 112.5 | ||||
| 963 | T | 31.8 | Very low | 34.3 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 81.3 | 104.2 | 148.6 | 34.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 964 | S | 28.8 | Very low | 34.4 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | -19.3 | 148.5 | 122.2 | 52.3 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 965 | S | 31.3 | Very low | 34.8 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 96.7 | 125.8 | 166.8 | 77.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 966 | A | 36.3 | Very low | 35.3 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -61.8 | 154.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 967 | P | 35 | Very low | 36 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | trans | -148 | 131.8 | 136 | 24.9 | -2.8 | 0 | 0 | 0 | 116.3 | ||||
| 968 | S | 30.4 | Very low | 37.1 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | trans | 29.4 | 130.3 | 130 | 53.3 | 0 | 0 | 0 | 0 | 122.7 | V970 | S968-V970 PolarHBondContact O-N 3.23Š| ||
| 969 | E | 30.5 | Very low | 38.4 | Very low | 197 Ų | 197 | 111.7 Ų | 111.7 | 92% | 0.921 | 69% | 0.69 | S | S | * | * | trans | -55.8 | 88.2 | 173.3 | -59.1 | 170.7 | 152.5 | 0 | 0 | 116.3 | ||||
| 970 | V | 31 | Very low | 39.8 | Very low | 139 Ų | 139 | 116 Ų | 116 | 84% | 0.842 | 69% | 0.692 | S | S | * | * | trans | -154 | 79.2 | 158.8 | -163.6 | 0 | 0 | 0 | 0 | 112 | S968 | S968-V970 PolarHBondContact O-N 3.23Š| ||
| 971 | S | 33.2 | Very low | 41.3 | Very low | 91 Ų | 91 | 113 Ų | 113 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | -168.1 | 13.4 | 162.2 | 61.3 | 0 | 0 | 0 | 0 | 117.3 | A973 S974 | S971-A973 PolarHBondContact O-N 3.44Å; S971-S974 PolarHBondContact O-N 2.92Å | ||
| 972 | M | 34.1 | Very low | 43.2 | Very low | 163 Ų | 163 | 109.4 Ų | 109.4 | 80% | 0.803 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -8.4 | -175.1 | -86.6 | -107.7 | -87.8 | 0 | 0 | 116.3 | S975 L976 | M972-S975 PolarHBondContact O-OG 3.33Å; M972-L976 WeakPolarHBondContact O-CD1 3.36Å |
| 973 | A | 39.3 | Very low | 45.2 | Very low | 91 Ų | 91 | 104.1 Ų | 104.1 | 75% | 0.752 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -20.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S971 | S971-A973 PolarHBondContact O-N 3.44Š|
| 974 | S | 41.3 | Very low | 47 | Very low | 88 Ų | 88 | 104.8 Ų | 104.8 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -17.4 | -179.8 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | S971 T977 | S971-S974 PolarHBondContact O-N 2.92Å; S974-T977 PolarHBondContact O-OG1 3Å |
| 975 | S | 49.6 | Very low | 49.1 | Very low | 65 Ų | 65 | 104.9 Ų | 104.9 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -76.6 | -26.4 | 179.2 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | M972 T977 G978 A979 | M972-S975 PolarHBondContact O-OG 3.33Å; S975-T977 VanDerWaalsContact C-N 3.34Å; S975-T977 PolarHBondContact O-N 3.24Å; S975-G978 PolarHBondContact O-N 3.46Å; S975-A979 PolarHBondContact O-N 3.23Å |
| 976 | L | 47.8 | Very low | 51.1 | Low | 109 Ų | 109 | 99.7 Ų | 99.7 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69 | -27.6 | -179.1 | -78.2 | 157.8 | 0 | 0 | 0 | 113.5 | M972 | M972-L976 WeakPolarHBondContact O-CD1 3.36Å |
| 977 | T | 52.8 | Low | 52.8 | Low | 90 Ų | 90 | 98 Ų | 98 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -78.1 | -37.5 | 177.4 | 5.2 | 0 | 0 | 0 | 0 | 112.4 | S974 S975 Q981 | S974-T977 PolarHBondContact O-OG1 3Å; S975-T977 VanDerWaalsContact C-N 3.34Å; S975-T977 PolarHBondContact O-N 3.24Å; T977-Q981 PolarHBondContact O-N 3.36Å |
| 978 | G | 59.7 | Low | 54.8 | Low | 32 Ų | 32 | 98.1 Ų | 98.1 | 33% | 0.33 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.1 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S975 R980 Q981 M982 | S975-G978 PolarHBondContact O-N 3.46Å; G978-R980 VanDerWaalsContact C-N 3.28Å; G978-R980 PolarHBondContact O-N 2.86Å; G978-Q981 PolarHBondContact O-N 2.92Å; G978-M982 VanDerWaalsContact O-CG 3.26Å; G978-M982 WeakPolarHBondContact O-CG 3.37Å; G978-M982 PolarHBondContact O-N 3.41Å |
| 979 | A | 61.4 | Low | 56.9 | Low | 29 Ų | 29 | 93.5 Ų | 93.5 | 24% | 0.24 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S975 M982 F983 | S975-A979 PolarHBondContact O-N 3.23Å; A979-M982 PolarHBondContact O-N 3.05Å; A979-F983 HydrophobicContact CB-CE2 4.01Å; A979-F983 HydrophobicContact CB-CZ 4.36Å; A979-F983 WeakPolarHBondContact O-CD2 3.43Å; A979-F983 WeakPolarHBondContact O-CE2 3.18Å; A979-F983 WeakPolarHBondContact O-CG 3.38Å; A979-F983 PolarHBondContact O-N 3.13Å |
| 980 | R | 64.9 | Low | 59.2 | Low | 188 Ų | 188 | 88.5 Ų | 88.5 | 71% | 0.709 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 175.4 | -83.8 | -177 | 173.6 | 178.3 | -1.2 | 113.2 | G978 M982 F983 E984 | G978-R980 VanDerWaalsContact C-N 3.28Å; G978-R980 PolarHBondContact O-N 2.86Å; R980-M982 VanDerWaalsContact C-N 3.32Å; R980-M982 PolarHBondContact O-N 2.89Å; R980-F983 PolarHBondContact O-N 3.4Å; R980-E984 WeakPolarHBondContact O-CG 3.49Å; R980-E984 PolarHBondContact O-N 3.18Å |
| 981 | Q | 65.8 | Low | 61.4 | Low | 126 Ų | 126 | 82.5 Ų | 82.5 | 59% | 0.589 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.9 | -37 | 177.2 | -73.2 | -178.3 | -15.9 | 0 | 0 | 112 | T977 G978 E984 Q985 | T977-Q981 PolarHBondContact O-N 3.36Å; G978-Q981 PolarHBondContact O-N 2.92Å; Q981-E984 PolarHBondContact O-N 2.84Å; Q981-Q985 WeakPolarHBondContact O-CG 3.49Å; Q981-Q985 PolarHBondContact O-N 3.11Å; Q981-Q985 VanDerWaalsContact O-N 3.13Å |
| 982 | M | 70 | Confident | 63.6 | Low | 79 Ų | 79 | 80 Ų | 80 | 39% | 0.389 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 174.6 | -67.4 | 170.9 | 72.3 | 0 | 0 | 111.4 | H926 G978 A979 R980 E984 Q985 D986 | H926-M982 WeakPolarHBondContact NE2-CE 3.2Å; G978-M982 VanDerWaalsContact O-CG 3.26Å; G978-M982 WeakPolarHBondContact O-CG 3.37Å; G978-M982 PolarHBondContact O-N 3.41Å; A979-M982 PolarHBondContact O-N 3.05Å; R980-M982 VanDerWaalsContact C-N 3.32Å; R980-M982 PolarHBondContact O-N 2.89Å; M982-E984 VanDerWaalsContact C-N 3.27Å; M982-E984 PolarHBondContact O-N 3.49Å; M982-Q985 PolarHBondContact O-N 3.27Å; M982-D986 PolarHBondContact O-N 3.12Å; M982-D986 VanDerWaalsContact O-N 3.11Å |
| 983 | F | 73.5 | Confident | 65.7 | Low | 40 Ų | 40 | 74.4 Ų | 74.4 | 18% | 0.175 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.9 | -28.7 | 178.7 | -58.2 | -36 | 0 | 0 | 0 | 113 | R922 A979 R980 A987 | R922-F983 HydrophobicContact CB-CD1 3.91Å; R922-F983 HydrophobicContact CB-CE1 3.75Å; R922-F983 HydrophobicContact CB-CE2 4.38Å; R922-F983 HydrophobicContact CB-CG 4.32Å; R922-F983 HydrophobicContact CB-CZ 3.99Å; A979-F983 HydrophobicContact CB-CE2 4.01Å; A979-F983 HydrophobicContact CB-CZ 4.36Å; A979-F983 WeakPolarHBondContact O-CD2 3.43Å; A979-F983 WeakPolarHBondContact O-CE2 3.18Å; A979-F983 WeakPolarHBondContact O-CG 3.38Å; A979-F983 PolarHBondContact O-N 3.13Å; R980-F983 PolarHBondContact O-N 3.4Å; F983-A987 PolarHBondContact O-N 3.17Å |
| 984 | E | 70.9 | Confident | 67.1 | Low | 134 Ų | 134 | 72.3 Ų | 72.3 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70.2 | -36.3 | 173.5 | -78.4 | 176 | -179.9 | 0 | 0 | 112.7 | R980 Q981 M982 A987 | R980-E984 WeakPolarHBondContact O-CG 3.49Å; R980-E984 PolarHBondContact O-N 3.18Å; Q981-E984 PolarHBondContact O-N 2.84Å; M982-E984 VanDerWaalsContact C-N 3.27Å; M982-E984 PolarHBondContact O-N 3.49Å; E984-A987 PolarHBondContact O-N 2.99Å |
| 985 | Q | 72.5 | Confident | 68.2 | Low | 103 Ų | 103 | 71.7 Ų | 71.7 | 48% | 0.481 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70 | -42.3 | 175.4 | -70.7 | 177.1 | 2.6 | 0 | 0 | 111.9 | Q981 M982 A987 L988 | Q981-Q985 WeakPolarHBondContact O-CG 3.49Å; Q981-Q985 PolarHBondContact O-N 3.11Å; Q981-Q985 VanDerWaalsContact O-N 3.13Å; M982-Q985 PolarHBondContact O-N 3.27Å; Q985-A987 PolarHBondContact O-N 3.48Å; Q985-L988 WeakPolarHBondContact O-CB 3.45Å; Q985-L988 PolarHBondContact O-N 2.64Å; Q985-L988 VanDerWaalsContact O-N 3.08Å |
| 986 | D | 73.5 | Confident | 68.9 | Low | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.6 | -29 | 176.7 | -69.3 | -19.1 | 0 | 0 | 0 | 112.6 | R925 H926 L929 M982 L988 I989 | R925-D986 PolarHBondContact NH2-O 3.1Å; H926-D986 VanDerWaalsContact CA-OD2 3.28Å; H926-D986 WeakPolarHBondContact CA-OD2 2.98Å; H926-D986 WeakPolarHBondContact CB-OD2 3.25Å; H926-D986 IonicContact CE1-OD1 3.2Å; H926-D986 IonicContact CG-OD2 3.1Å; H926-D986 VanDerWaalsContact CG-OD2 3.32Å; H926-D986 IonicContact ND1-OD1 2.83Å; H926-D986 PolarHBondContact ND1-OD1 3.43Å; H926-D986 IonicContact ND1-OD2 3.41Å; H926-D986 PolarHBondContact ND1-OD2 2.66Å; L929-D986 HydrophobicContact CD1-CB 4.22Å; M982-D986 PolarHBondContact O-N 3.12Å; M982-D986 VanDerWaalsContact O-N 3.11Å; D986-L988 PolarHBondContact O-N 3.45Å; D986-I989 PolarHBondContact O-N 2.82Å |
| 987 | A | 72.7 | Confident | 69.4 | Low | 66 Ų | 66 | 68.2 Ų | 68.2 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | F983 E984 Q985 | F983-A987 PolarHBondContact O-N 3.17Å; E984-A987 PolarHBondContact O-N 2.99Å; Q985-A987 PolarHBondContact O-N 3.48Å |
| 988 | L | 76.9 | Confident | 69.6 | Low | 116 Ų | 116 | 66.1 Ų | 66.1 | 61% | 0.607 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.5 | 179 | -65.7 | 166.4 | 0 | 0 | 0 | 113.7 | Q985 D986 | Q985-L988 WeakPolarHBondContact O-CB 3.45Å; Q985-L988 PolarHBondContact O-N 2.64Å; Q985-L988 VanDerWaalsContact O-N 3.08Å; D986-L988 PolarHBondContact O-N 3.45Å |
| 989 | I | 74.3 | Confident | 69 | Low | 13 Ų | 13 | 69.9 Ų | 69.9 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | trans | -95.6 | 124.5 | -176.9 | -60.6 | 172.9 | 0 | 0 | 0 | 109.9 | L929 L941 F949 D986 | L929-I989 HydrophobicContact CD1-CD1 4.41Å; L941-I989 HydrophobicContact CD2-CG2 3.97Å; F949-I989 HydrophobicContact CD2-CD1 4.27Å; F949-I989 HydrophobicContact CE2-CD1 3.55Å; D986-I989 PolarHBondContact O-N 2.82Å | ||
| 990 | Q | 77.3 | Confident | 68.1 | Low | 93 Ų | 93 | 76.1 Ų | 76.1 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.6 | 175.3 | -65.6 | -175.2 | -19.5 | 0 | 0 | 110.4 | I942 K943 | I942-Q990 HydrophobicContact CB-CB 4.18Å; I942-Q990 PolarHBondContact N-O 2.84Å; K943-Q990 HydrophobicContact CB-CB 4.15Å; K943-Q990 HydrophobicContact CB-CG 4.45Å; K943-Q990 PolarHBondContact N-O 3.11Å; K943-Q990 PolarHBondContact O-N 2.73Å |
| 991 | I | 78.2 | Confident | 67.2 | Low | 13 Ų | 13 | 70.7 Ų | 70.7 | 7% | 0.067 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 140.8 | -176.6 | -62.7 | 157.7 | 0 | 0 | 0 | 110.5 | L225 L228 L929 I942 Y993 | L225-I991 HydrophobicContact CD2-CG2 3.85Å; L228-I991 HydrophobicContact CB-CD1 3.89Å; L228-I991 HydrophobicContact CD1-CD1 3.61Å; L228-I991 HydrophobicContact CD2-CD1 3.99Å; L228-I991 HydrophobicContact CG-CD1 4.01Å; L929-I991 HydrophobicContact CD2-CD1 4.34Å; I942-I991 WeakPolarHBondContact CD1-O 3.48Å; I991-Y993 HydrophobicContact CB-CE1 4.09Å; I991-Y993 HydrophobicContact CB-CE2 4.3Å; I991-Y993 HydrophobicContact CG2-CD1 3.97Å; I991-Y993 HydrophobicContact CG2-CE1 3.65Å; I991-Y993 PolarHBondContact O-N 3.36Å |
| 992 | D | 78.7 | Confident | 66 | Low | 38 Ų | 38 | 69.9 Ų | 69.9 | 20% | 0.203 | 40% | 0.395 | C | S | . | . | trans | -87.5 | 101.4 | 174 | -176.5 | 13.9 | 0 | 0 | 0 | 111.6 | P940 I942 S994 | P940-D992 HydrophobicContact CB-CB 4.09Å; P940-D992 HydrophobicContact CG-CB 4.45Å; P940-D992 WeakPolarHBondContact CG-O 3.45Å; P940-D992 PolarHBondContact O-N 3.12Å; I942-D992 HydrophobicContact CD1-CB 4.36Å; I942-D992 HydrophobicContact CG1-CB 3.61Å; D992-S994 VanDerWaalsContact C-N 3.26Å; D992-S994 PolarHBondContact O-N 3.3Å; D992-S994 WeakPolarHBondContact OD1-CB 3.29Å; D992-S994 PolarHBondContact OD1-N 2.95Å; D992-S994 PolarHBondContact OD1-OG 3.03Å; D992-S994 PolarHBondContact OD2-OG 3.29Å | ||
| 993 | Y | 78.1 | Confident | 64.6 | Low | 46 Ų | 46 | 74.7 Ų | 74.7 | 18% | 0.18 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -80.5 | 0.6 | 177 | -59.5 | -62.2 | 0 | 0 | 0 | 113.7 | L228 Y229 D232 I991 T995 L996 | L228-Y993 HydrophobicContact CB-CE1 4.33Å; Y229-Y993 HydrophobicContact CD2-CD1 4.32Å; Y229-Y993 HydrophobicContact CD2-CD2 4.3Å; Y229-Y993 HydrophobicContact CD2-CE2 4.5Å; Y229-Y993 HydrophobicContact CD2-CG 4.19Å; D232-Y993 PolarHBondContact OD2-OH 3.39Å; I991-Y993 HydrophobicContact CB-CE1 4.09Å; I991-Y993 HydrophobicContact CB-CE2 4.3Å; I991-Y993 HydrophobicContact CG2-CD1 3.97Å; I991-Y993 HydrophobicContact CG2-CE1 3.65Å; I991-Y993 PolarHBondContact O-N 3.36Å; Y993-T995 PolarHBondContact O-N 3.31Å; Y993-L996 HydrophobicContact CD1-CD1 3.65Å; Y993-L996 HydrophobicContact CG-CD1 4.26Å; Y993-L996 WeakPolarHBondContact O-CB 3.43Å; Y993-L996 PolarHBondContact O-N 2.89Å |
| 994 | S | 69.4 | Low | 63.2 | Low | 47 Ų | 47 | 76.7 Ų | 76.7 | 33% | 0.329 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -65.3 | -24.4 | -175.8 | 71.9 | 0 | 0 | 0 | 0 | 114.6 | D992 | D992-S994 VanDerWaalsContact C-N 3.26Å; D992-S994 PolarHBondContact O-N 3.3Å; D992-S994 WeakPolarHBondContact OD1-CB 3.29Å; D992-S994 PolarHBondContact OD1-N 2.95Å; D992-S994 PolarHBondContact OD1-OG 3.03Å; D992-S994 PolarHBondContact OD2-OG 3.29Å |
| 995 | T | 64.3 | Low | 61.7 | Low | 75 Ų | 75 | 80 Ų | 80 | 46% | 0.46 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -85.5 | -6.5 | 179.9 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | P940 Y993 T997 | P940-T995 WeakPolarHBondContact CG-OG1 3.44Å; Y993-T995 PolarHBondContact O-N 3.31Å; T995-T997 PolarHBondContact O-N 3.02Å |
| 996 | L | 65.5 | Low | 60 | Low | 22 Ų | 22 | 79.5 Ų | 79.5 | 12% | 0.115 | 43% | 0.434 | C | S | . | . | trans | -67.1 | 115.5 | 171.6 | -87.9 | 110.2 | 0 | 0 | 0 | 109.5 | L225 I226 Y993 F1004 | L225-L996 HydrophobicContact CB-CD1 3.95Å; L225-L996 HydrophobicContact CB-CG 4.23Å; L225-L996 HydrophobicContact CD2-CD1 4.25Å; L225-L996 HydrophobicContact CG-CD1 4.47Å; I226-L996 HydrophobicContact CB-CD2 4.39Å; I226-L996 HydrophobicContact CD1-CD2 4.43Å; I226-L996 HydrophobicContact CG1-CD2 3.39Å; Y993-L996 HydrophobicContact CD1-CD1 3.65Å; Y993-L996 HydrophobicContact CG-CD1 4.26Å; Y993-L996 WeakPolarHBondContact O-CB 3.43Å; Y993-L996 PolarHBondContact O-N 2.89Å; L996-F1004 WeakPolarHBondContact O-CD2 3.22Å | ||
| 997 | T | 58.1 | Low | 58.4 | Low | 78 Ų | 78 | 84.2 Ų | 84.2 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | trans | -113 | 115.4 | 164 | 42.6 | 0 | 0 | 0 | 0 | 106.6 | T995 | T995-T997 PolarHBondContact O-N 3.02Š| ||
| 998 | L | 55.8 | Low | 56.6 | Low | 47 Ų | 47 | 90.9 Ų | 90.9 | 25% | 0.246 | 48% | 0.478 | C | S | . | . | trans | -73.2 | 145.7 | 163.5 | -73.8 | 157.3 | 0 | 0 | 0 | 107.1 | D1000 L1015 | L998-D1000 PolarHBondContact O-N 2.88Å; L998-L1015 HydrophobicContact CD1-CD1 4.16Å; L998-L1015 HydrophobicContact CD1-CD2 4.15Å | ||
| 999 | D | 48.2 | Very low | 54.4 | Low | 111 Ų | 111 | 94.1 Ų | 94.1 | 59% | 0.594 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.2 | 138.3 | -179.5 | -77.3 | -26.4 | 0 | 0 | 0 | 110.8 | K1026 | D999-K1026 IonicContact OD2-NZ 3.34Å; D999-K1026 PolarHBondContact OD2-NZ 3.38Å |
| 1000 | D | 42.4 | Very low | 52.5 | Low | 159 Ų | 159 | 99.8 Ų | 99.8 | 85% | 0.85 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 42.5 | 179 | -56.5 | -25.1 | 0 | 0 | 0 | 119.8 | L998 V1002 | L998-D1000 PolarHBondContact O-N 2.88Å; D1000-V1002 PolarHBondContact O-N 3.25Å |
| 1001 | G | 44.6 | Very low | 50.6 | Low | 74 Ų | 74 | 98.4 Ų | 98.4 | 76% | 0.763 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 11.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | K1003 | G1001-K1003 PolarHBondContact O-N 3.24Š|
| 1002 | V | 41.9 | Very low | 48.7 | Very low | 109 Ų | 109 | 103.4 Ų | 103.4 | 66% | 0.661 | 57% | 0.567 | S | S | * | * | trans | -88.3 | 101 | 173.3 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | D1000 F1004 | D1000-V1002 PolarHBondContact O-N 3.25Å; V1002-F1004 PolarHBondContact O-N 3.34Å | ||
| 1003 | K | 40.2 | Very low | 46.9 | Very low | 181 Ų | 181 | 109.5 Ų | 109.5 | 79% | 0.787 | 60% | 0.6 | S | S | * | * | trans | -69.2 | 123.2 | 171.5 | -73.8 | -178.9 | 176.7 | 179 | 0 | 110.2 | G1001 K1005 | G1001-K1003 PolarHBondContact O-N 3.24Å; K1003-K1005 PolarHBondContact O-N 3.05Å | ||
| 1004 | F | 44.3 | Very low | 45.5 | Very low | 81 Ų | 81 | 112.1 Ų | 112.1 | 36% | 0.355 | 62% | 0.62 | S | S | . | * | trans | -63.9 | 115.5 | 168.4 | -86.9 | -97.4 | 0 | 0 | 0 | 110.5 | L996 V1002 L1015 | L996-F1004 WeakPolarHBondContact O-CD2 3.22Å; V1002-F1004 PolarHBondContact O-N 3.34Å; F1004-L1015 HydrophobicContact CE1-CD1 4.45Å; F1004-L1015 HydrophobicContact CZ-CD1 3.84Å | ||
| 1005 | K | 38.8 | Very low | 44.6 | Very low | 203 Ų | 203 | 111.9 Ų | 111.9 | 88% | 0.883 | 62% | 0.615 | S | S | * | * | trans | -95 | 105.1 | 156.3 | -83.1 | -178.3 | 174.3 | 179 | 0 | 107.6 | K1003 | K1003-K1005 PolarHBondContact O-N 3.05Š| ||
| 1006 | I | 37.5 | Very low | 44.3 | Very low | 93 Ų | 93 | 115 Ų | 115 | 48% | 0.477 | 62% | 0.624 | S | S | . | * | trans | -69.5 | 133 | 162.3 | -59.4 | 173.4 | 0 | 0 | 0 | 106 | ||||
| 1007 | P | 39.3 | Very low | 44.1 | Very low | 103 Ų | 103 | 115.9 Ų | 115.9 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | -154.1 | 163.6 | 75.1 | 35.5 | -11.9 | 0 | 0 | 0 | 118.3 | |||||
| 1008 | Y | 34.1 | Very low | 44.5 | Very low | 206 Ų | 206 | 114.3 Ų | 114.3 | 81% | 0.808 | 63% | 0.628 | S | S | * | * | trans | 22.5 | 133.3 | 145.7 | -73.9 | -99.7 | 0 | 0 | 0 | 119 | ||||
| 1009 | F | 31.7 | Very low | 44.9 | Very low | 185 Ų | 185 | 116.9 Ų | 116.9 | 81% | 0.811 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 89.8 | 108.3 | 170.1 | -90.2 | -101.9 | 0 | 0 | 0 | 118.4 | ||
| 1010 | T | 33.3 | Very low | 46 | Very low | 131 Ų | 131 | 112 Ų | 112 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | trans | 52.9 | 90.4 | 141.1 | 58 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1011 | G | 39.3 | Very low | 47.4 | Very low | 65 Ų | 65 | 110.2 Ų | 110.2 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | trans | 179.1 | 137.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1013 | G1011-N1013 VanDerWaalsContact C-N 3.29Å; G1011-N1013 PolarHBondContact O-N 2.66Å | ||
| 1012 | P | 37.4 | Very low | 48.7 | Very low | 118 Ų | 118 | 113.3 Ų | 113.3 | 77% | 0.766 | 59% | 0.587 | S | S | * | * | trans | -84.8 | 63.7 | -170.7 | 37.1 | -35.3 | 0 | 0 | 0 | 111.2 | V1014 | P1012-V1014 VanDerWaalsContact C-N 3.3Å; P1012-V1014 PolarHBondContact O-N 3.06Å | ||
| 1013 | N | 40.3 | Very low | 50.1 | Low | 166 Ų | 166 | 109.2 Ų | 109.2 | 89% | 0.888 | 56% | 0.563 | S | S | * | * | trans | -99 | 68.5 | 165.3 | -78.5 | -7.7 | 0 | 0 | 0 | 108.6 | G1011 L1015 | G1011-N1013 VanDerWaalsContact C-N 3.29Å; G1011-N1013 PolarHBondContact O-N 2.66Å; N1013-L1015 PolarHBondContact O-N 2.99Å | ||
| 1014 | V | 49.6 | Very low | 52 | Low | 100 Ų | 100 | 101.4 Ų | 101.4 | 61% | 0.606 | 53% | 0.53 | S | S | * | . | trans | -78.8 | 99.4 | 179.5 | 169.1 | 0 | 0 | 0 | 0 | 106.7 | P1012 E1016 | P1012-V1014 VanDerWaalsContact C-N 3.3Å; P1012-V1014 PolarHBondContact O-N 3.06Å; V1014-E1016 PolarHBondContact O-N 3.09Å | ||
| 1015 | L | 49.9 | Very low | 53.8 | Low | 43 Ų | 43 | 104.2 Ų | 104.2 | 23% | 0.225 | 54% | 0.544 | C | S | . | . | trans | -49.3 | 126.4 | 163.5 | -81.6 | 159.7 | 0 | 0 | 0 | 108 | R233 L998 F1004 N1013 D1017 E1019 I1020 | R233-L1015 PolarHBondContact NH1-O 3.16Å; R233-L1015 PolarHBondContact NH2-O 2.94Å; L998-L1015 HydrophobicContact CD1-CD1 4.16Å; L998-L1015 HydrophobicContact CD1-CD2 4.15Å; F1004-L1015 HydrophobicContact CE1-CD1 4.45Å; F1004-L1015 HydrophobicContact CZ-CD1 3.84Å; N1013-L1015 PolarHBondContact O-N 2.99Å; L1015-D1017 PolarHBondContact O-N 3.39Å; L1015-E1019 WeakPolarHBondContact CD2-OE2 3.48Å; L1015-I1020 HydrophobicContact CB-CD1 4.41Å | ||
| 1016 | E | 57.7 | Low | 55.8 | Low | 139 Ų | 139 | 98.3 Ų | 98.3 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | trans | -63 | 133.8 | -178.4 | -70.4 | -170.1 | 167.9 | 0 | 0 | 109.4 | V1014 G1018 E1019 | V1014-E1016 PolarHBondContact O-N 3.09Å; E1016-G1018 PolarHBondContact O-N 2.91Å; E1016-E1019 PolarHBondContact O-N 2.83Å | ||
| 1017 | D | 62.5 | Low | 58 | Low | 41 Ų | 41 | 94.7 Ų | 94.7 | 22% | 0.219 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -50.7 | -21.3 | 175.4 | -96.1 | 39.5 | 0 | 0 | 0 | 113.3 | R237 L1015 R1021 | R237-D1017 IonicContact CZ-OD1 3.61Å; R237-D1017 IonicContact CZ-OD2 3.15Å; R237-D1017 IonicContact NH1-OD1 2.81Å; R237-D1017 PolarHBondContact NH1-OD1 3.17Å; R237-D1017 IonicContact NH1-OD2 3.47Å; R237-D1017 PolarHBondContact NH1-OD2 3.19Å; R237-D1017 IonicContact NH2-OD1 3.97Å; R237-D1017 PolarHBondContact NH2-OD1 3.5Å; R237-D1017 IonicContact NH2-OD2 3.79Å; L1015-D1017 PolarHBondContact O-N 3.39Å; D1017-R1021 VanDerWaalsContact O-CG 3.24Å; D1017-R1021 WeakPolarHBondContact O-CG 3.39Å; D1017-R1021 PolarHBondContact O-N 3.47Å |
| 1018 | G | 65.1 | Low | 60.1 | Low | 45 Ų | 45 | 96.5 Ų | 96.5 | 46% | 0.464 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.2 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1016 I1020 R1021 F1022 | E1016-G1018 PolarHBondContact O-N 2.91Å; G1018-I1020 PolarHBondContact O-N 3.24Å; G1018-R1021 PolarHBondContact O-N 3.43Å; G1018-F1022 PolarHBondContact O-N 2.7Å |
| 1019 | E | 65.7 | Low | 62.5 | Low | 102 Ų | 102 | 93.2 Ų | 93.2 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.6 | -38.3 | -176.9 | -65.4 | 179.4 | 162.7 | 0 | 0 | 111.7 | L1015 E1016 S1023 | L1015-E1019 WeakPolarHBondContact CD2-OE2 3.48Å; E1016-E1019 PolarHBondContact O-N 2.83Å; E1019-S1023 WeakPolarHBondContact O-CB 3.18Å; E1019-S1023 PolarHBondContact O-N 2.87Å; E1019-S1023 VanDerWaalsContact O-N 3.1Å; E1019-S1023 PolarHBondContact O-OG 3.31Å |
| 1020 | I | 69.8 | Low | 65 | Low | 7 Ų | 7 | 86.7 Ų | 86.7 | 4% | 0.036 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.6 | -41.6 | 176.8 | -59 | 174.4 | 0 | 0 | 0 | 110.6 | I226 Y229 R230 L1015 G1018 S1023 I1024 | I226-I1020 HydrophobicContact CG2-CG2 3.88Å; Y229-I1020 HydrophobicContact CD1-CD1 4.27Å; Y229-I1020 HydrophobicContact CE1-CD1 3.87Å; R230-I1020 HydrophobicContact CB-CG2 4Å; R230-I1020 HydrophobicContact CG-CG2 4.22Å; L1015-I1020 HydrophobicContact CB-CD1 4.41Å; G1018-I1020 PolarHBondContact O-N 3.24Å; I1020-S1023 PolarHBondContact O-N 3.36Å; I1020-I1024 HydrophobicContact CG2-CD1 4.14Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.28Å; I1020-I1024 PolarHBondContact O-N 3.32Å; I1020-I1024 VanDerWaalsContact O-N 3.13Å |
| 1021 | R | 73.2 | Confident | 67.5 | Low | 122 Ų | 122 | 81.2 Ų | 81.2 | 46% | 0.46 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 177.2 | -76.8 | 175.2 | -168.6 | -153.2 | 3.8 | 111.9 | D1017 G1018 S1023 I1024 E1025 | D1017-R1021 VanDerWaalsContact O-CG 3.24Å; D1017-R1021 WeakPolarHBondContact O-CG 3.39Å; D1017-R1021 PolarHBondContact O-N 3.47Å; G1018-R1021 PolarHBondContact O-N 3.43Å; R1021-S1023 VanDerWaalsContact C-N 3.3Å; R1021-S1023 PolarHBondContact O-N 3.42Å; R1021-I1024 PolarHBondContact O-N 2.9Å; R1021-E1025 PolarHBondContact O-N 3.29Å |
| 1022 | F | 71.5 | Confident | 69.7 | Low | 139 Ų | 139 | 80.6 Ų | 80.6 | 61% | 0.61 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.6 | -42.3 | 177.6 | -177.9 | -101.9 | 0 | 0 | 0 | 111.8 | G1018 I1024 E1025 K1026 | G1018-F1022 PolarHBondContact O-N 2.7Å; F1022-I1024 PolarHBondContact O-N 3.46Å; F1022-E1025 PolarHBondContact O-N 3.12Å; F1022-K1026 HydrophobicContact CE1-CD 4.4Å; F1022-K1026 VanDerWaalsContact O-CB 3.29Å; F1022-K1026 WeakPolarHBondContact O-CB 3.37Å; F1022-K1026 PolarHBondContact O-N 3.19Å |
| 1023 | S | 71.9 | Confident | 71.9 | Confident | 23 Ų | 23 | 79.5 Ų | 79.5 | 16% | 0.161 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 179.5 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | E1019 I1020 R1021 L1027 | E1019-S1023 WeakPolarHBondContact O-CB 3.18Å; E1019-S1023 PolarHBondContact O-N 2.87Å; E1019-S1023 VanDerWaalsContact O-N 3.1Å; E1019-S1023 PolarHBondContact O-OG 3.31Å; I1020-S1023 PolarHBondContact O-N 3.36Å; R1021-S1023 VanDerWaalsContact C-N 3.3Å; R1021-S1023 PolarHBondContact O-N 3.42Å; S1023-L1027 WeakPolarHBondContact O-CB 3.37Å; S1023-L1027 WeakPolarHBondContact O-CG 3.43Å; S1023-L1027 PolarHBondContact O-N 3.37Å |
| 1024 | I | 79.9 | Confident | 73.9 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 9% | 0.087 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 175.3 | -67.6 | 168.1 | 0 | 0 | 0 | 111.4 | F223 I226 Q227 I1020 R1021 F1022 L1027 K1028 | F223-I1024 HydrophobicContact CE2-CG2 3.99Å; I226-I1024 HydrophobicContact CB-CG1 4.38Å; I226-I1024 HydrophobicContact CG2-CD1 3.95Å; I226-I1024 HydrophobicContact CG2-CG1 3.52Å; Q227-I1024 HydrophobicContact CG-CD1 4.47Å; I1020-I1024 HydrophobicContact CG2-CD1 4.14Å; I1020-I1024 WeakPolarHBondContact O-CG1 3.28Å; I1020-I1024 PolarHBondContact O-N 3.32Å; I1020-I1024 VanDerWaalsContact O-N 3.13Å; R1021-I1024 PolarHBondContact O-N 2.9Å; F1022-I1024 PolarHBondContact O-N 3.46Å; I1024-L1027 PolarHBondContact O-N 2.89Å; I1024-K1028 VanDerWaalsContact O-CB 3.28Å; I1024-K1028 WeakPolarHBondContact O-CB 3.43Å; I1024-K1028 PolarHBondContact O-N 3.14Å |
| 1025 | E | 80.7 | Confident | 75.5 | Confident | 140 Ų | 140 | 71.6 Ų | 71.6 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.4 | -42.2 | 179.7 | -76.3 | -178.3 | 177 | 0 | 0 | 112.1 | R1021 F1022 K1028 K1029 | R1021-E1025 PolarHBondContact O-N 3.29Å; F1022-E1025 PolarHBondContact O-N 3.12Å; E1025-K1028 PolarHBondContact O-N 3.19Å; E1025-K1029 WeakPolarHBondContact O-CB 3.33Å; E1025-K1029 PolarHBondContact O-N 3.13Å |
| 1026 | K | 81.6 | Confident | 77 | Confident | 79 Ų | 79 | 73.8 Ų | 73.8 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57 | -53 | 173.9 | -178.9 | -179.5 | 173.7 | -173.2 | 0 | 110.8 | D999 F1022 K1028 K1029 E1030 | D999-K1026 IonicContact OD2-NZ 3.34Å; D999-K1026 PolarHBondContact OD2-NZ 3.38Å; F1022-K1026 HydrophobicContact CE1-CD 4.4Å; F1022-K1026 VanDerWaalsContact O-CB 3.29Å; F1022-K1026 WeakPolarHBondContact O-CB 3.37Å; F1022-K1026 PolarHBondContact O-N 3.19Å; K1026-K1028 PolarHBondContact O-N 3.21Å; K1026-K1029 PolarHBondContact O-N 3.07Å; K1026-E1030 VanDerWaalsContact CE-OE1 3.27Å; K1026-E1030 WeakPolarHBondContact CE-OE1 3.48Å; K1026-E1030 WeakPolarHBondContact CG-OE1 3.35Å; K1026-E1030 WeakPolarHBondContact O-CB 3.46Å; K1026-E1030 VanDerWaalsContact O-CG 3.27Å; K1026-E1030 WeakPolarHBondContact O-CG 3.39Å; K1026-E1030 PolarHBondContact O-N 3.4Å |
| 1027 | L | 82.8 | Confident | 78 | Confident | 18 Ų | 18 | 71.4 Ų | 71.4 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 179.3 | -73.9 | 170.5 | 0 | 0 | 0 | 112.8 | K219 R222 F223 I226 S1023 I1024 K1029 E1030 I1031 | K219-L1027 HydrophobicContact CB-CD2 4.28Å; K219-L1027 HydrophobicContact CG-CD2 4.3Å; R222-L1027 HydrophobicContact CB-CD1 4.15Å; F223-L1027 HydrophobicContact CB-CB 4.31Å; F223-L1027 HydrophobicContact CB-CD1 4.41Å; F223-L1027 HydrophobicContact CD2-CB 4.07Å; I226-L1027 HydrophobicContact CD1-CD1 3.66Å; S1023-L1027 WeakPolarHBondContact O-CB 3.37Å; S1023-L1027 WeakPolarHBondContact O-CG 3.43Å; S1023-L1027 PolarHBondContact O-N 3.37Å; I1024-L1027 PolarHBondContact O-N 2.89Å; L1027-K1029 PolarHBondContact O-N 3.45Å; L1027-E1030 PolarHBondContact O-N 3.3Å; L1027-I1031 WeakPolarHBondContact O-CB 3.47Å; L1027-I1031 WeakPolarHBondContact O-CD1 2.93Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.29Å; L1027-I1031 PolarHBondContact O-N 2.85Å |
| 1028 | K | 84.7 | Confident | 78.7 | Confident | 141 Ų | 141 | 70.2 Ų | 70.2 | 61% | 0.613 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.2 | -43.8 | 177.4 | -172.9 | 179.4 | 178.4 | -177.2 | 0 | 111.7 | F223 I1024 E1025 K1026 I1031 S1032 | F223-K1028 HydrophobicContact CE2-CB 3.94Å; F223-K1028 HydrophobicContact CE2-CG 4.45Å; I1024-K1028 VanDerWaalsContact O-CB 3.28Å; I1024-K1028 WeakPolarHBondContact O-CB 3.43Å; I1024-K1028 PolarHBondContact O-N 3.14Å; E1025-K1028 PolarHBondContact O-N 3.19Å; K1026-K1028 PolarHBondContact O-N 3.21Å; K1028-I1031 PolarHBondContact O-N 2.58Å; K1028-S1032 WeakPolarHBondContact O-CB 3.4Å; K1028-S1032 PolarHBondContact O-N 3.28Å |
| 1029 | K | 84.6 | Confident | 79.2 | Confident | 137 Ų | 137 | 74.6 Ų | 74.6 | 60% | 0.596 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.3 | -46.7 | 177.2 | -176.4 | 176.5 | 172.9 | 180 | 0 | 110.9 | E1025 K1026 L1027 I1031 S1032 E1033 | E1025-K1029 WeakPolarHBondContact O-CB 3.33Å; E1025-K1029 PolarHBondContact O-N 3.13Å; K1026-K1029 PolarHBondContact O-N 3.07Å; L1027-K1029 PolarHBondContact O-N 3.45Å; K1029-I1031 VanDerWaalsContact C-N 3.33Å; K1029-I1031 PolarHBondContact O-N 3.14Å; K1029-S1032 PolarHBondContact O-N 3.34Å; K1029-E1033 WeakPolarHBondContact CE-OE1 3.46Å; K1029-E1033 HydrophobicContact CG-CG 4.45Å; K1029-E1033 IonicContact NZ-OE1 2.78Å; K1029-E1033 WeakPolarHBondContact O-CB 3.3Å; K1029-E1033 WeakPolarHBondContact O-CG 3.31Å; K1029-E1033 PolarHBondContact O-N 3.29Å |
| 1030 | E | 84.2 | Confident | 79.4 | Confident | 47 Ų | 47 | 76.2 Ų | 76.2 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 177.8 | -71.4 | 175.2 | -170.2 | 0 | 0 | 112.9 | K219 K1026 L1027 L1034 | K219-E1030 HydrophobicContact CD-CB 3.93Å; K219-E1030 WeakPolarHBondContact CD-OE2 3.49Å; K219-E1030 VanDerWaalsContact CE-OE2 3.23Å; K219-E1030 WeakPolarHBondContact CE-OE2 3.25Å; K219-E1030 IonicContact NZ-OE2 2.62Å; K219-E1030 PolarHBondContact NZ-OE2 3.08Å; K1026-E1030 VanDerWaalsContact CE-OE1 3.27Å; K1026-E1030 WeakPolarHBondContact CE-OE1 3.48Å; K1026-E1030 WeakPolarHBondContact CG-OE1 3.35Å; K1026-E1030 WeakPolarHBondContact O-CB 3.46Å; K1026-E1030 VanDerWaalsContact O-CG 3.27Å; K1026-E1030 WeakPolarHBondContact O-CG 3.39Å; K1026-E1030 PolarHBondContact O-N 3.4Å; L1027-E1030 PolarHBondContact O-N 3.3Å; E1030-L1034 WeakPolarHBondContact O-CB 3.48Å; E1030-L1034 VanDerWaalsContact O-CG 3.24Å; E1030-L1034 WeakPolarHBondContact O-CG 3.48Å; E1030-L1034 PolarHBondContact O-N 3.25Å |
| 1031 | I | 85.3 | Confident | 79.3 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 8% | 0.082 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.9 | -46.1 | 174.1 | -71.8 | 165.6 | 0 | 0 | 0 | 110.4 | L216 K219 Q220 F223 L1027 K1028 K1029 L1034 Q1035 | L216-I1031 HydrophobicContact CD1-CG2 4.2Å; K219-I1031 HydrophobicContact CB-CD1 4.46Å; K219-I1031 HydrophobicContact CB-CG1 3.98Å; Q220-I1031 HydrophobicContact CG-CD1 4.18Å; Q220-I1031 HydrophobicContact CG-CG1 4.39Å; Q220-I1031 HydrophobicContact CG-CG2 4.4Å; F223-I1031 HydrophobicContact CB-CD1 3.56Å; F223-I1031 HydrophobicContact CD1-CD1 4.1Å; F223-I1031 HydrophobicContact CD2-CD1 4.19Å; F223-I1031 HydrophobicContact CG-CD1 3.7Å; L1027-I1031 WeakPolarHBondContact O-CB 3.47Å; L1027-I1031 WeakPolarHBondContact O-CD1 2.93Å; L1027-I1031 WeakPolarHBondContact O-CG1 3.29Å; L1027-I1031 PolarHBondContact O-N 2.85Å; K1028-I1031 PolarHBondContact O-N 2.58Å; K1029-I1031 VanDerWaalsContact C-N 3.33Å; K1029-I1031 PolarHBondContact O-N 3.14Å; I1031-L1034 PolarHBondContact O-N 3.43Å; I1031-Q1035 HydrophobicContact CG2-CG 4.34Å; I1031-Q1035 WeakPolarHBondContact O-CB 3.34Å; I1031-Q1035 VanDerWaalsContact O-CG 3.28Å; I1031-Q1035 WeakPolarHBondContact O-CG 3.28Å; I1031-Q1035 PolarHBondContact O-N 2.66Å |
| 1032 | S | 84.9 | Confident | 78.6 | Confident | 53 Ų | 53 | 77.8 Ų | 77.8 | 37% | 0.371 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 177.9 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | K1028 K1029 L1034 Q1035 D1036 | K1028-S1032 WeakPolarHBondContact O-CB 3.4Å; K1028-S1032 PolarHBondContact O-N 3.28Å; K1029-S1032 PolarHBondContact O-N 3.34Å; S1032-L1034 VanDerWaalsContact C-N 3.33Å; S1032-L1034 PolarHBondContact O-N 3.27Å; S1032-Q1035 PolarHBondContact O-N 3.29Å; S1032-D1036 WeakPolarHBondContact O-CB 3.45Å; S1032-D1036 VanDerWaalsContact O-CG 3.26Å; S1032-D1036 PolarHBondContact O-N 2.82Å |
| 1033 | E | 84.3 | Confident | 77.8 | Confident | 94 Ų | 94 | 78 Ų | 78 | 44% | 0.439 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 178 | -73.2 | 173.2 | 177 | 0 | 0 | 111.4 | K1029 L1037 | K1029-E1033 WeakPolarHBondContact CE-OE1 3.46Å; K1029-E1033 HydrophobicContact CG-CG 4.45Å; K1029-E1033 IonicContact NZ-OE1 2.78Å; K1029-E1033 WeakPolarHBondContact O-CB 3.3Å; K1029-E1033 WeakPolarHBondContact O-CG 3.31Å; K1029-E1033 PolarHBondContact O-N 3.29Å; E1033-L1037 VanDerWaalsContact O-CB 3.29Å; E1033-L1037 WeakPolarHBondContact O-CB 3.34Å; E1033-L1037 WeakPolarHBondContact O-CD1 3.18Å; E1033-L1037 WeakPolarHBondContact O-CG 3.47Å; E1033-L1037 PolarHBondContact O-N 3.23Å |
| 1034 | L | 82.8 | Confident | 77 | Confident | 22 Ų | 22 | 79.3 Ų | 79.3 | 12% | 0.115 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.9 | -37.3 | 175.7 | -75.2 | 171.3 | 0 | 0 | 0 | 112.5 | M212 L216 K219 E1030 I1031 S1032 L1038 | M212-L1034 HydrophobicContact CB-CD2 4.43Å; M212-L1034 HydrophobicContact CG-CD2 4.3Å; L216-L1034 HydrophobicContact CD1-CB 3.77Å; K219-L1034 HydrophobicContact CD-CD1 3.87Å; E1030-L1034 WeakPolarHBondContact O-CB 3.48Å; E1030-L1034 VanDerWaalsContact O-CG 3.24Å; E1030-L1034 WeakPolarHBondContact O-CG 3.48Å; E1030-L1034 PolarHBondContact O-N 3.25Å; I1031-L1034 PolarHBondContact O-N 3.43Å; S1032-L1034 VanDerWaalsContact C-N 3.33Å; S1032-L1034 PolarHBondContact O-N 3.27Å; L1034-L1038 WeakPolarHBondContact O-CB 3.16Å; L1034-L1038 WeakPolarHBondContact O-CD1 3.31Å; L1034-L1038 VanDerWaalsContact O-CG 3.31Å; L1034-L1038 WeakPolarHBondContact O-CG 3.3Å; L1034-L1038 PolarHBondContact O-N 3.04Å |
| 1035 | Q | 82.5 | Confident | 76.1 | Confident | 79 Ų | 79 | 81.8 Ų | 81.8 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.3 | -48.1 | 175.4 | -75.6 | 177.1 | -41.2 | 0 | 0 | 111.6 | L216 I1031 S1032 L1037 L1038 D1039 | L216-Q1035 HydrophobicContact CD1-CG 3.67Å; L216-Q1035 HydrophobicContact CD2-CG 4.45Å; I1031-Q1035 HydrophobicContact CG2-CG 4.34Å; I1031-Q1035 WeakPolarHBondContact O-CB 3.34Å; I1031-Q1035 VanDerWaalsContact O-CG 3.28Å; I1031-Q1035 WeakPolarHBondContact O-CG 3.28Å; I1031-Q1035 PolarHBondContact O-N 2.66Å; S1032-Q1035 PolarHBondContact O-N 3.29Å; Q1035-L1037 VanDerWaalsContact C-N 3.27Å; Q1035-L1037 PolarHBondContact O-N 2.87Å; Q1035-L1038 PolarHBondContact O-N 2.89Å; Q1035-L1038 VanDerWaalsContact O-N 3.07Å; Q1035-D1039 PolarHBondContact O-N 3.44Å |
| 1036 | D | 81.3 | Confident | 75.5 | Confident | 89 Ų | 89 | 80.7 Ų | 80.7 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 176.9 | -67.9 | -28.5 | 0 | 0 | 0 | 111 | S1032 N1040 | S1032-D1036 WeakPolarHBondContact O-CB 3.45Å; S1032-D1036 VanDerWaalsContact O-CG 3.26Å; S1032-D1036 PolarHBondContact O-N 2.82Å; D1036-N1040 WeakPolarHBondContact O-CB 3.22Å; D1036-N1040 VanDerWaalsContact O-CG 3.23Å; D1036-N1040 PolarHBondContact O-N 2.92Å; D1036-N1040 VanDerWaalsContact O-N 3.14Å; D1036-N1040 PolarHBondContact O-ND2 3.38Å |
| 1037 | L | 78.7 | Confident | 75.1 | Confident | 88 Ų | 88 | 83.3 Ų | 83.3 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 174.1 | -73.4 | 169.1 | 0 | 0 | 0 | 112.2 | M212 E1033 Q1035 I1041 | M212-L1037 HydrophobicContact SD-CB 4.33Å; E1033-L1037 VanDerWaalsContact O-CB 3.29Å; E1033-L1037 WeakPolarHBondContact O-CB 3.34Å; E1033-L1037 WeakPolarHBondContact O-CD1 3.18Å; E1033-L1037 WeakPolarHBondContact O-CG 3.47Å; E1033-L1037 PolarHBondContact O-N 3.23Å; Q1035-L1037 VanDerWaalsContact C-N 3.27Å; Q1035-L1037 PolarHBondContact O-N 2.87Å; L1037-I1041 VanDerWaalsContact O-CD1 3.31Å; L1037-I1041 WeakPolarHBondContact O-CD1 3.41Å; L1037-I1041 VanDerWaalsContact O-CG1 3.23Å; L1037-I1041 WeakPolarHBondContact O-CG1 3.38Å; L1037-I1041 PolarHBondContact O-N 2.88Å |
| 1038 | L | 78.1 | Confident | 74.6 | Confident | 16 Ų | 16 | 82.5 Ų | 82.5 | 8% | 0.084 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 176.9 | -83.7 | 157.2 | 0 | 0 | 0 | 112.2 | Y209 M212 L216 L1034 Q1035 N1040 I1041 | Y209-L1038 HydrophobicContact CD1-CD2 4.37Å; Y209-L1038 HydrophobicContact CD2-CD2 3.64Å; Y209-L1038 HydrophobicContact CE1-CD2 4.14Å; Y209-L1038 HydrophobicContact CE2-CD2 3.36Å; Y209-L1038 HydrophobicContact CG-CD2 4.15Å; M212-L1038 HydrophobicContact CB-CD2 4.41Å; M212-L1038 HydrophobicContact CB-CG 4.43Å; L216-L1038 HydrophobicContact CB-CD1 4.21Å; L216-L1038 HydrophobicContact CD1-CD1 4.49Å; L216-L1038 HydrophobicContact CD2-CD1 3.81Å; L216-L1038 HydrophobicContact CG-CD1 4.38Å; L1034-L1038 WeakPolarHBondContact O-CB 3.16Å; L1034-L1038 WeakPolarHBondContact O-CD1 3.31Å; L1034-L1038 VanDerWaalsContact O-CG 3.31Å; L1034-L1038 WeakPolarHBondContact O-CG 3.3Å; L1034-L1038 PolarHBondContact O-N 3.04Å; Q1035-L1038 PolarHBondContact O-N 2.89Å; Q1035-L1038 VanDerWaalsContact O-N 3.07Å; L1038-N1040 VanDerWaalsContact C-N 3.32Å; L1038-N1040 PolarHBondContact O-N 2.87Å; L1038-I1041 PolarHBondContact O-N 3.41Å |
| 1039 | D | 75.2 | Confident | 74.2 | Confident | 137 Ų | 137 | 78.9 Ų | 78.9 | 73% | 0.733 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.9 | -30.7 | 179 | -73.9 | -14.3 | 0 | 0 | 0 | 112.2 | Q1035 I1041 | Q1035-D1039 PolarHBondContact O-N 3.44Å; D1039-I1041 VanDerWaalsContact C-N 3.33Å |
| 1040 | N | 70.6 | Confident | 74 | Confident | 136 Ų | 136 | 78.2 Ų | 78.2 | 73% | 0.727 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -74.5 | -20.2 | 174.4 | -76.8 | -46 | 0 | 0 | 0 | 113.6 | D1036 L1038 S1042 | D1036-N1040 WeakPolarHBondContact O-CB 3.22Å; D1036-N1040 VanDerWaalsContact O-CG 3.23Å; D1036-N1040 PolarHBondContact O-N 2.92Å; D1036-N1040 VanDerWaalsContact O-N 3.14Å; D1036-N1040 PolarHBondContact O-ND2 3.38Å; L1038-N1040 VanDerWaalsContact C-N 3.32Å; L1038-N1040 PolarHBondContact O-N 2.87Å; N1040-S1042 PolarHBondContact O-N 3.32Å |
| 1041 | I | 66.6 | Low | 73.8 | Confident | 57 Ų | 57 | 81.4 Ų | 81.4 | 29% | 0.292 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -92.2 | 99.6 | 178.4 | -63.9 | 164.8 | 0 | 0 | 0 | 108.1 | Y209 M212 L1037 L1038 D1039 V1043 | Y209-I1041 HydrophobicContact CD2-CB 4.25Å; Y209-I1041 HydrophobicContact CD2-CG2 3.86Å; M212-I1041 HydrophobicContact CE-CD1 3.23Å; M212-I1041 HydrophobicContact SD-CD1 4.22Å; L1037-I1041 VanDerWaalsContact O-CD1 3.31Å; L1037-I1041 WeakPolarHBondContact O-CD1 3.41Å; L1037-I1041 VanDerWaalsContact O-CG1 3.23Å; L1037-I1041 WeakPolarHBondContact O-CG1 3.38Å; L1037-I1041 PolarHBondContact O-N 2.88Å; L1038-I1041 PolarHBondContact O-N 3.41Å; D1039-I1041 VanDerWaalsContact C-N 3.33Å; I1041-V1043 PolarHBondContact O-N 2.93Å |
| 1042 | S | 57.8 | Low | 73.7 | Confident | 105 Ų | 105 | 82.1 Ų | 82.1 | 73% | 0.734 | 44% | 0.436 | S | S | * | . | trans | -58.3 | 132.2 | -177.1 | 77.8 | 0 | 0 | 0 | 0 | 112.7 | N1040 | N1040-S1042 PolarHBondContact O-N 3.32Š| ||
| 1043 | V | 55.4 | Low | 73.7 | Confident | 145 Ų | 145 | 85.8 Ų | 85.8 | 88% | 0.879 | 45% | 0.447 | S | S | * | . | trans | 15.4 | 100.8 | 164 | -167.7 | 0 | 0 | 0 | 0 | 116.2 | I1041 | I1041-V1043 PolarHBondContact O-N 2.93Š| ||
| 1044 | M | 54.6 | Low | 73.8 | Confident | 49 Ų | 49 | 82.5 Ų | 82.5 | 24% | 0.241 | 44% | 0.439 | C | S | . | . | trans | -67.3 | 131.9 | -179.4 | -174.6 | 179.8 | 57.9 | 0 | 0 | 113.8 | A206 Y209 V1046 | A206-M1044 HydrophobicContact CB-CG 4.12Å; A206-M1044 HydrophobicContact CB-SD 4.3Å; Y209-M1044 HydrophobicContact CD1-CB 4.2Å; Y209-M1044 HydrophobicContact CD1-CE 3.68Å; Y209-M1044 HydrophobicContact CD1-CG 4.25Å; Y209-M1044 HydrophobicContact CD1-SD 3.22Å; Y209-M1044 WeakPolarHBondContact CD1-SD 3.31Å; Y209-M1044 HydrophobicContact CE1-CB 4.31Å; Y209-M1044 HydrophobicContact CE1-CE 3.7Å; Y209-M1044 HydrophobicContact CE1-SD 3.88Å; Y209-M1044 HydrophobicContact CG-CB 4.36Å; Y209-M1044 HydrophobicContact CG-CG 4.48Å; Y209-M1044 HydrophobicContact CG-SD 3.84Å; M1044-V1046 HydrophobicContact CE-CG2 4.04Å; M1044-V1046 PolarHBondContact O-N 3.46Å | ||
| 1045 | N | 62.4 | Low | 74 | Confident | 70 Ų | 70 | 81.5 Ų | 81.5 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | trans | -84.1 | 96.8 | 164.8 | -173.2 | 1.6 | 0 | 0 | 0 | 110.2 | K1047 A1048 | N1045-K1047 PolarHBondContact O-N 2.87Å; N1045-K1047 PolarHBondContact OD1-N 3.37Å; N1045-A1048 WeakPolarHBondContact O-CB 3.13Å; N1045-A1048 PolarHBondContact O-N 3.49Å | ||
| 1046 | V | 66.1 | Low | 74.2 | Confident | 116 Ų | 116 | 85.9 Ų | 85.9 | 70% | 0.703 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.3 | 179.7 | -173 | 0 | 0 | 0 | 0 | 112.6 | M1044 | M1044-V1046 HydrophobicContact CE-CG2 4.04Å; M1044-V1046 PolarHBondContact O-N 3.46Å |
| 1047 | K | 73.3 | Confident | 74.5 | Confident | 135 Ų | 135 | 87.7 Ų | 87.7 | 59% | 0.587 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 13.4 | 179.7 | -59.6 | -172.4 | 176.7 | -172.9 | 0 | 114.3 | N1045 T1049 E1050 R1051 | N1045-K1047 PolarHBondContact O-N 2.87Å; N1045-K1047 PolarHBondContact OD1-N 3.37Å; K1047-T1049 VanDerWaalsContact C-N 3.28Å; K1047-T1049 PolarHBondContact O-N 3.47Å; K1047-E1050 PolarHBondContact O-N 2.98Å; K1047-R1051 WeakPolarHBondContact O-CB 3.19Å; K1047-R1051 PolarHBondContact O-N 2.92Å |
| 1048 | A | 72.6 | Confident | 75 | Confident | 1 Ų | 1 | 88.4 Ų | 88.4 | 1% | 0.008 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.7 | -33.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E202 A206 N1045 L1052 | E202-A1048 HydrophobicContact CB-CB 4.18Å; A206-A1048 HydrophobicContact CB-CB 4.12Å; N1045-A1048 WeakPolarHBondContact O-CB 3.13Å; N1045-A1048 PolarHBondContact O-N 3.49Å; A1048-L1052 PolarHBondContact O-N 2.99Å |
| 1049 | T | 76.4 | Confident | 75.6 | Confident | 64 Ų | 64 | 89.5 Ų | 89.5 | 39% | 0.393 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.5 | -52.6 | 175.5 | 45 | 0 | 0 | 0 | 0 | 112 | K203 K1047 R1051 L1052 E1053 | K203-T1049 HydrophobicContact CD-CG2 4.38Å; K203-T1049 HydrophobicContact CG-CG2 4.24Å; K1047-T1049 VanDerWaalsContact C-N 3.28Å; K1047-T1049 PolarHBondContact O-N 3.47Å; T1049-R1051 VanDerWaalsContact C-N 3.26Å; T1049-R1051 PolarHBondContact O-N 3.16Å; T1049-L1052 PolarHBondContact O-N 3.32Å; T1049-L1052 VanDerWaalsContact O-N 3.14Å; T1049-E1053 PolarHBondContact O-N 3.15Å |
| 1050 | E | 81 | Confident | 76.3 | Confident | 124 Ų | 124 | 86.2 Ų | 86.2 | 58% | 0.579 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -57.4 | -40.7 | 175.6 | -64.7 | 177.4 | 175 | 0 | 0 | 111.2 | K1047 E1053 G1054 | K1047-E1050 PolarHBondContact O-N 2.98Å; E1050-E1053 PolarHBondContact O-N 3.45Å; E1050-G1054 PolarHBondContact O-N 3.46Å |
| 1051 | R | 79.6 | Confident | 77.2 | Confident | 113 Ų | 113 | 85.1 Ų | 85.1 | 43% | 0.426 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 177.2 | -169.8 | -179.3 | -174 | -177.1 | 2.7 | 112 | A199 E202 K1047 T1049 V1055 | A199-R1051 HydrophobicContact CB-CG 4.42Å; E202-R1051 IonicContact OE1-CZ 3.05Å; E202-R1051 IonicContact OE1-NH1 3.3Å; E202-R1051 PolarHBondContact OE1-NH1 3.16Å; E202-R1051 WeakPolarHBondContact OE2-CD 3.41Å; E202-R1051 IonicContact OE2-CZ 3.43Å; E202-R1051 IonicContact OE2-NE 3.72Å; E202-R1051 IonicContact OE2-NH1 2.72Å; E202-R1051 PolarHBondContact OE2-NH1 3.39Å; K1047-R1051 WeakPolarHBondContact O-CB 3.19Å; K1047-R1051 PolarHBondContact O-N 2.92Å; T1049-R1051 VanDerWaalsContact C-N 3.26Å; T1049-R1051 PolarHBondContact O-N 3.16Å; R1051-V1055 HydrophobicContact CG-CG2 4.48Å; R1051-V1055 WeakPolarHBondContact O-CB 3.49Å; R1051-V1055 WeakPolarHBondContact O-CG2 3.38Å; R1051-V1055 PolarHBondContact O-N 3.36Å |
| 1052 | L | 83.3 | Confident | 78.3 | Confident | 31 Ų | 31 | 83 Ų | 83 | 16% | 0.162 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 177.6 | -179.7 | 66.2 | 0 | 0 | 0 | 111.4 | R196 A199 K200 K203 A1048 T1049 V1055 R1056 | R196-L1052 HydrophobicContact CG-CD1 4.38Å; A199-L1052 HydrophobicContact CB-CB 4.36Å; A199-L1052 HydrophobicContact CB-CD1 4.08Å; K200-L1052 HydrophobicContact CB-CD1 4.19Å; K203-L1052 HydrophobicContact CB-CD2 4.34Å; K203-L1052 HydrophobicContact CD-CD2 3.4Å; K203-L1052 VanDerWaalsContact CD-CD2 3.4Å; K203-L1052 HydrophobicContact CG-CD2 4.46Å; A1048-L1052 PolarHBondContact O-N 2.99Å; T1049-L1052 PolarHBondContact O-N 3.32Å; T1049-L1052 VanDerWaalsContact O-N 3.14Å; L1052-V1055 PolarHBondContact O-N 3.08Å; L1052-R1056 WeakPolarHBondContact O-CB 3.28Å; L1052-R1056 PolarHBondContact O-N 2.96Å |
| 1053 | E | 84.2 | Confident | 79.8 | Confident | 130 Ų | 130 | 79.3 Ų | 79.3 | 61% | 0.607 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.6 | -50.3 | 176.4 | -72.5 | -178 | 167 | 0 | 0 | 110.9 | T1049 E1050 V1055 R1056 E1057 | T1049-E1053 PolarHBondContact O-N 3.15Å; E1050-E1053 PolarHBondContact O-N 3.45Å; E1053-V1055 VanDerWaalsContact C-N 3.32Å; E1053-V1055 PolarHBondContact O-N 3.35Å; E1053-R1056 WeakPolarHBondContact O-CB 3.11Å; E1053-R1056 PolarHBondContact O-N 2.96Å; E1053-E1057 PolarHBondContact O-N 2.95Å |
| 1054 | G | 87 | Confident | 81.5 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 26% | 0.258 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65 | -29.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1050 R1058 | E1050-G1054 PolarHBondContact O-N 3.46Å; G1054-R1058 WeakPolarHBondContact O-CB 3.41Å; G1054-R1058 VanDerWaalsContact O-CG 3.3Å; G1054-R1058 WeakPolarHBondContact O-CG 3.49Å; G1054-R1058 PolarHBondContact O-N 3.38Å; G1054-R1058 PolarHBondContact O-NE 2.92Å; G1054-R1058 VanDerWaalsContact O-NE 3.11Å |
| 1055 | V | 87 | Confident | 83.2 | Confident | 1 Ų | 1 | 80.8 Ų | 80.8 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -75.9 | -33.8 | 171.8 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | I192 E195 R196 A199 R1051 L1052 E1053 F1059 | I192-V1055 HydrophobicContact CG2-CG1 4.05Å; E195-V1055 HydrophobicContact CB-CG1 3.98Å; E195-V1055 HydrophobicContact CB-CG2 4.35Å; R196-V1055 VanDerWaalsContact CA-CG1 3.47Å; R196-V1055 HydrophobicContact CB-CG1 3.65Å; R196-V1055 HydrophobicContact CG-CG1 4.21Å; A199-V1055 HydrophobicContact CB-CG2 4.49Å; R1051-V1055 HydrophobicContact CG-CG2 4.48Å; R1051-V1055 WeakPolarHBondContact O-CB 3.49Å; R1051-V1055 WeakPolarHBondContact O-CG2 3.38Å; R1051-V1055 PolarHBondContact O-N 3.36Å; L1052-V1055 PolarHBondContact O-N 3.08Å; E1053-V1055 VanDerWaalsContact C-N 3.32Å; E1053-V1055 PolarHBondContact O-N 3.35Å; V1055-F1059 WeakPolarHBondContact O-CB 3.5Å; V1055-F1059 PolarHBondContact O-N 3.14Å |
| 1056 | R | 86.7 | Confident | 84.6 | Confident | 171 Ų | 171 | 78.7 Ų | 78.7 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -68.1 | -43.4 | 178.3 | -175.1 | -179.4 | -178.3 | -175.8 | -0.4 | 111.4 | L1052 E1053 F1059 V1060 | L1052-R1056 WeakPolarHBondContact O-CB 3.28Å; L1052-R1056 PolarHBondContact O-N 2.96Å; E1053-R1056 WeakPolarHBondContact O-CB 3.11Å; E1053-R1056 PolarHBondContact O-N 2.96Å; R1056-F1059 WeakPolarHBondContact O-CB 3.04Å; R1056-F1059 PolarHBondContact O-N 3.11Å; R1056-V1060 WeakPolarHBondContact O-CG2 3.09Å; R1056-V1060 PolarHBondContact O-N 2.95Å; R1056-V1060 VanDerWaalsContact O-N 3.07Å |
| 1057 | E | 88.8 | Confident | 85.8 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 59% | 0.593 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.7 | -53.8 | 174.2 | -72.4 | 176.4 | 170.3 | 0 | 0 | 110.9 | E1053 F1059 V1060 E1061 | E1053-E1057 PolarHBondContact O-N 2.95Å; E1057-F1059 PolarHBondContact O-N 2.96Å; E1057-F1059 VanDerWaalsContact O-N 3.14Å; E1057-V1060 PolarHBondContact O-N 3.3Å; E1057-E1061 WeakPolarHBondContact O-CG 3.33Å; E1057-E1061 PolarHBondContact O-N 3.25Å |
| 1058 | R | 88.8 | Confident | 86.7 | Confident | 103 Ų | 103 | 72.4 Ų | 72.4 | 39% | 0.389 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.5 | -36.3 | 174.8 | -75.2 | -173.5 | -76 | 148.5 | -6.5 | 113.1 | I192 E195 G1054 T1062 | I192-R1058 HydrophobicContact CD1-CB 4.37Å; I192-R1058 HydrophobicContact CG2-CB 4.32Å; E195-R1058 IonicContact OE2-CZ 3.56Å; E195-R1058 IonicContact OE2-NH1 2.64Å; E195-R1058 PolarHBondContact OE2-NH1 3.23Å; E195-R1058 IonicContact OE2-NH2 3.98Å; G1054-R1058 WeakPolarHBondContact O-CB 3.41Å; G1054-R1058 VanDerWaalsContact O-CG 3.3Å; G1054-R1058 WeakPolarHBondContact O-CG 3.49Å; G1054-R1058 PolarHBondContact O-N 3.38Å; G1054-R1058 PolarHBondContact O-NE 2.92Å; G1054-R1058 VanDerWaalsContact O-NE 3.11Å; R1058-T1062 VanDerWaalsContact O-CB 3.29Å; R1058-T1062 WeakPolarHBondContact O-CB 3.49Å; R1058-T1062 PolarHBondContact O-N 3.16Å; R1058-T1062 PolarHBondContact O-OG1 3.39Å |
| 1059 | F | 90.4 | Very high | 87.6 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 17% | 0.171 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 176.9 | -178.6 | -92.2 | 0 | 0 | 0 | 112.2 | K189 I192 A193 V1055 R1056 E1057 S1063 | K189-F1059 HydrophobicContact CG-CE2 4.21Å; I192-F1059 HydrophobicContact CG2-CB 3.79Å; I192-F1059 HydrophobicContact CG2-CD2 4.23Å; A193-F1059 HydrophobicContact CB-CD2 4.38Å; A193-F1059 HydrophobicContact CB-CE2 3.91Å; V1055-F1059 WeakPolarHBondContact O-CB 3.5Å; V1055-F1059 PolarHBondContact O-N 3.14Å; R1056-F1059 WeakPolarHBondContact O-CB 3.04Å; R1056-F1059 PolarHBondContact O-N 3.11Å; E1057-F1059 PolarHBondContact O-N 2.96Å; E1057-F1059 VanDerWaalsContact O-N 3.14Å; F1059-S1063 WeakPolarHBondContact O-CB 3.41Å; F1059-S1063 PolarHBondContact O-N 3.42Å |
| 1060 | V | 90 | Very high | 88.3 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 42% | 0.418 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66 | -51.5 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 109.6 | R1056 E1057 T1062 S1063 E1064 | R1056-V1060 WeakPolarHBondContact O-CG2 3.09Å; R1056-V1060 PolarHBondContact O-N 2.95Å; R1056-V1060 VanDerWaalsContact O-N 3.07Å; E1057-V1060 PolarHBondContact O-N 3.3Å; V1060-T1062 PolarHBondContact O-N 3.29Å; V1060-S1063 WeakPolarHBondContact O-CB 3.21Å; V1060-S1063 PolarHBondContact O-N 3.18Å; V1060-E1064 PolarHBondContact O-N 3.1Å |
| 1061 | E | 90.1 | Very high | 88.9 | Confident | 112 Ų | 112 | 78.4 Ų | 78.4 | 52% | 0.523 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53.6 | -52.7 | 177.1 | -68.6 | 173.6 | 168.8 | 0 | 0 | 111.5 | E1057 S1063 E1064 E1065 | E1057-E1061 WeakPolarHBondContact O-CG 3.33Å; E1057-E1061 PolarHBondContact O-N 3.25Å; E1061-S1063 VanDerWaalsContact C-N 3.26Å; E1061-S1063 PolarHBondContact O-N 3.27Å; E1061-E1064 PolarHBondContact O-N 2.81Å; E1061-E1064 VanDerWaalsContact O-N 3.16Å; E1061-E1065 WeakPolarHBondContact O-CG 3.33Å; E1061-E1065 PolarHBondContact O-N 3.34Å |
| 1062 | T | 88.5 | Confident | 89.4 | Confident | 12 Ų | 12 | 80 Ų | 80 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.3 | -30 | -179.4 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | K188 K189 I192 R1058 V1060 F1066 | K188-T1062 HydrophobicContact CB-CG2 3.8Å; K189-T1062 HydrophobicContact CB-CG2 4Å; I192-T1062 HydrophobicContact CD1-CG2 4.08Å; I192-T1062 WeakPolarHBondContact CD1-OG1 3.29Å; R1058-T1062 VanDerWaalsContact O-CB 3.29Å; R1058-T1062 WeakPolarHBondContact O-CB 3.49Å; R1058-T1062 PolarHBondContact O-N 3.16Å; R1058-T1062 PolarHBondContact O-OG1 3.39Å; V1060-T1062 PolarHBondContact O-N 3.29Å; T1062-F1066 VanDerWaalsContact O-CB 3.25Å; T1062-F1066 WeakPolarHBondContact O-CB 3.35Å; T1062-F1066 PolarHBondContact O-N 2.81Å |
| 1063 | S | 89.1 | Confident | 89.9 | Confident | 28 Ų | 28 | 79.1 Ų | 79.1 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -72.1 | -37.4 | 175.7 | -169.6 | 0 | 0 | 0 | 0 | 111.8 | K189 F1059 V1060 E1061 E1067 | K189-S1063 PolarHBondContact NZ-OG 3.27Å; F1059-S1063 WeakPolarHBondContact O-CB 3.41Å; F1059-S1063 PolarHBondContact O-N 3.42Å; V1060-S1063 WeakPolarHBondContact O-CB 3.21Å; V1060-S1063 PolarHBondContact O-N 3.18Å; E1061-S1063 VanDerWaalsContact C-N 3.26Å; E1061-S1063 PolarHBondContact O-N 3.27Å; S1063-E1067 WeakPolarHBondContact O-CG 3.34Å; S1063-E1067 PolarHBondContact O-N 3.3Å |
| 1064 | E | 91.3 | Very high | 90.3 | Very high | 129 Ų | 129 | 80 Ų | 80 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68.5 | -43.8 | 173.8 | -70.7 | -178.4 | 174.5 | 0 | 0 | 111.4 | V1060 E1061 F1066 E1067 A1068 | V1060-E1064 PolarHBondContact O-N 3.1Å; E1061-E1064 PolarHBondContact O-N 2.81Å; E1061-E1064 VanDerWaalsContact O-N 3.16Å; E1064-F1066 VanDerWaalsContact C-N 3.31Å; E1064-F1066 PolarHBondContact O-N 3.06Å; E1064-E1067 PolarHBondContact O-N 3.4Å; E1064-A1068 VanDerWaalsContact O-CB 3.31Å; E1064-A1068 WeakPolarHBondContact O-CB 3.5Å; E1064-A1068 PolarHBondContact O-N 3.47Å |
| 1065 | E | 90.8 | Very high | 90.6 | Very high | 96 Ų | 96 | 81.7 Ų | 81.7 | 45% | 0.449 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.7 | -41 | 172.6 | -74.4 | -175.3 | 171.1 | 0 | 0 | 112.1 | N185 E1061 A1068 A1069 | N185-E1065 PolarHBondContact ND2-O 3.13Å; E1061-E1065 WeakPolarHBondContact O-CG 3.33Å; E1061-E1065 PolarHBondContact O-N 3.34Å; E1065-A1068 PolarHBondContact O-N 2.76Å; E1065-A1069 VanDerWaalsContact O-CB 3.23Å; E1065-A1069 WeakPolarHBondContact O-CB 3.34Å; E1065-A1069 PolarHBondContact O-N 3.15Å |
| 1066 | F | 92.3 | Very high | 91 | Very high | 27 Ų | 27 | 82.2 Ų | 82.2 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 175.3 | 170.9 | -101.3 | 0 | 0 | 0 | 111.9 | T182 N185 Y186 K189 T1062 E1064 A1068 A1069 R1070 | T182-F1066 HydrophobicContact CG2-CD2 4.35Å; T182-F1066 HydrophobicContact CG2-CE2 3.88Å; N185-F1066 HydrophobicContact CB-CB 4.19Å; N185-F1066 HydrophobicContact CB-CD2 4.37Å; Y186-F1066 AromaticContact CD2-CE2 3.9Å; Y186-F1066 HydrophobicContact CD2-CE2 3.9Å; Y186-F1066 HydrophobicContact CD2-CZ 4.07Å; Y186-F1066 HydrophobicContact CG-CE2 4.28Å; K189-F1066 HydrophobicContact CD-CB 4.4Å; K189-F1066 HydrophobicContact CD-CD1 4.27Å; K189-F1066 HydrophobicContact CD-CG 4.34Å; T1062-F1066 VanDerWaalsContact O-CB 3.25Å; T1062-F1066 WeakPolarHBondContact O-CB 3.35Å; T1062-F1066 PolarHBondContact O-N 2.81Å; E1064-F1066 VanDerWaalsContact C-N 3.31Å; E1064-F1066 PolarHBondContact O-N 3.06Å; F1066-A1068 VanDerWaalsContact C-N 3.33Å; F1066-A1068 PolarHBondContact O-N 3.29Å; F1066-A1069 PolarHBondContact O-N 2.76Å; F1066-R1070 VanDerWaalsContact O-CB 3.26Å; F1066-R1070 WeakPolarHBondContact O-CB 3.25Å; F1066-R1070 PolarHBondContact O-N 3.2Å |
| 1067 | E | 90.7 | Very high | 91.3 | Very high | 70 Ų | 70 | 78.5 Ų | 78.5 | 33% | 0.327 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.7 | -32.7 | 177.7 | -72.7 | -61.4 | 156.6 | 0 | 0 | 112.4 | S1063 E1064 R1070 R1071 | S1063-E1067 WeakPolarHBondContact O-CG 3.34Å; S1063-E1067 PolarHBondContact O-N 3.3Å; E1064-E1067 PolarHBondContact O-N 3.4Å; E1067-R1070 IonicContact OE1-NH1 3.85Å; E1067-R1070 IonicContact OE2-NH1 2.73Å; E1067-R1071 WeakPolarHBondContact O-CB 3.39Å; E1067-R1071 WeakPolarHBondContact O-CG 3.45Å; E1067-R1071 PolarHBondContact O-N 2.89Å; E1067-R1071 PolarHBondContact O-NE 2.96Å |
| 1068 | A | 92 | Very high | 91.5 | Very high | 48 Ų | 48 | 77.2 Ų | 77.2 | 40% | 0.397 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.6 | -46.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1064 E1065 F1066 R1070 R1071 K1072 | E1064-A1068 VanDerWaalsContact O-CB 3.31Å; E1064-A1068 WeakPolarHBondContact O-CB 3.5Å; E1064-A1068 PolarHBondContact O-N 3.47Å; E1065-A1068 PolarHBondContact O-N 2.76Å; F1066-A1068 VanDerWaalsContact C-N 3.33Å; F1066-A1068 PolarHBondContact O-N 3.29Å; A1068-R1070 VanDerWaalsContact C-N 3.33Å; A1068-R1070 PolarHBondContact O-N 3.37Å; A1068-R1071 PolarHBondContact O-N 2.77Å; A1068-K1072 PolarHBondContact O-N 2.78Å |
| 1069 | A | 92.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 74.6 Ų | 74.6 | 5% | 0.05 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T182 E1065 F1066 R1071 K1072 A1073 | T182-A1069 PolarHBondContact OG1-O 3.36Å; E1065-A1069 VanDerWaalsContact O-CB 3.23Å; E1065-A1069 WeakPolarHBondContact O-CB 3.34Å; E1065-A1069 PolarHBondContact O-N 3.15Å; F1066-A1069 PolarHBondContact O-N 2.76Å; A1069-R1071 PolarHBondContact O-N 3.18Å; A1069-K1072 PolarHBondContact O-N 3.21Å; A1069-A1073 WeakPolarHBondContact O-CB 3.44Å; A1069-A1073 PolarHBondContact O-N 3.18Å |
| 1070 | R | 91.1 | Very high | 92 | Very high | 140 Ų | 140 | 73.7 Ų | 73.7 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 175.7 | -174.3 | -177.3 | 179 | -163.7 | 1.1 | 112.6 | T182 F1066 E1067 A1068 A1073 K1074 | T182-R1070 HydrophobicContact CG2-CB 4.27Å; F1066-R1070 VanDerWaalsContact O-CB 3.26Å; F1066-R1070 WeakPolarHBondContact O-CB 3.25Å; F1066-R1070 PolarHBondContact O-N 3.2Å; E1067-R1070 IonicContact OE1-NH1 3.85Å; E1067-R1070 IonicContact OE2-NH1 2.73Å; A1068-R1070 VanDerWaalsContact C-N 3.33Å; A1068-R1070 PolarHBondContact O-N 3.37Å; R1070-A1073 PolarHBondContact O-N 3.4Å; R1070-K1074 PolarHBondContact O-N 3.44Å |
| 1071 | R | 92.4 | Very high | 92.1 | Very high | 170 Ų | 170 | 74.9 Ų | 74.9 | 64% | 0.642 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 174.2 | -80.8 | -177.6 | -83.2 | 165.4 | -8 | 111.5 | E1067 A1068 A1069 K1074 A1075 | E1067-R1071 WeakPolarHBondContact O-CB 3.39Å; E1067-R1071 WeakPolarHBondContact O-CG 3.45Å; E1067-R1071 PolarHBondContact O-N 2.89Å; E1067-R1071 PolarHBondContact O-NE 2.96Å; A1068-R1071 PolarHBondContact O-N 2.77Å; A1069-R1071 PolarHBondContact O-N 3.18Å; R1071-K1074 PolarHBondContact O-N 3.29Å; R1071-A1075 PolarHBondContact O-N 3.48Å |
| 1072 | K | 91.8 | Very high | 92.3 | Very high | 147 Ų | 147 | 76.8 Ų | 76.8 | 64% | 0.639 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | 176.3 | -170.2 | 176.1 | -178.8 | 178.2 | 0 | 112 | A178 A1068 A1069 A1075 A1076 | A178-K1072 HydrophobicContact CB-CG 4.46Å; A1068-K1072 PolarHBondContact O-N 2.78Å; A1069-K1072 PolarHBondContact O-N 3.21Å; K1072-A1075 PolarHBondContact O-N 3.43Å; K1072-A1076 WeakPolarHBondContact O-CB 3.32Å; K1072-A1076 PolarHBondContact O-N 2.88Å |
| 1073 | A | 93.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 77.4 Ų | 77.4 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A178 A1069 R1070 A1075 A1076 K1077 | A178-A1073 HydrophobicContact CB-CB 3.94Å; A1069-A1073 WeakPolarHBondContact O-CB 3.44Å; A1069-A1073 PolarHBondContact O-N 3.18Å; R1070-A1073 PolarHBondContact O-N 3.4Å; A1073-A1075 PolarHBondContact O-N 3.25Å; A1073-A1076 PolarHBondContact O-N 3.35Å; A1073-K1077 VanDerWaalsContact O-CB 3.29Å; A1073-K1077 WeakPolarHBondContact O-CB 3.49Å; A1073-K1077 PolarHBondContact O-N 2.84Å |
| 1074 | K | 92.3 | Very high | 92.7 | Very high | 148 Ų | 148 | 79 Ų | 79 | 64% | 0.643 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 174.5 | -172 | -179.8 | 179.3 | -175.7 | 0 | 112 | R1070 R1071 L1078 | R1070-K1074 PolarHBondContact O-N 3.44Å; R1071-K1074 PolarHBondContact O-N 3.29Å; K1074-L1078 HydrophobicContact CG-CD1 4.37Å; K1074-L1078 WeakPolarHBondContact O-CG 3.3Å; K1074-L1078 PolarHBondContact O-N 3.23Å; K1074-L1078 VanDerWaalsContact O-N 3.07Å |
| 1075 | A | 93.6 | Very high | 92.8 | Very high | 60 Ų | 60 | 79 Ų | 79 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1071 K1072 A1073 K1077 L1078 A1079 | R1071-A1075 PolarHBondContact O-N 3.48Å; K1072-A1075 PolarHBondContact O-N 3.43Å; A1073-A1075 PolarHBondContact O-N 3.25Å; A1075-K1077 PolarHBondContact O-N 3.11Å; A1075-L1078 PolarHBondContact O-N 3.35Å; A1075-A1079 WeakPolarHBondContact O-CB 3.5Å; A1075-A1079 PolarHBondContact O-N 3.03Å |
| 1076 | A | 94 | Very high | 92.9 | Very high | 12 Ų | 12 | 77.7 Ų | 77.7 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M175 A178 K1072 A1073 A1079 F1080 | M175-A1076 HydrophobicContact CB-CB 4.32Å; A178-A1076 HydrophobicContact CB-CB 4.36Å; K1072-A1076 WeakPolarHBondContact O-CB 3.32Å; K1072-A1076 PolarHBondContact O-N 2.88Å; A1073-A1076 PolarHBondContact O-N 3.35Å; A1076-A1079 PolarHBondContact O-N 3.4Å; A1076-F1080 WeakPolarHBondContact O-CB 3.4Å; A1076-F1080 PolarHBondContact O-N 2.89Å |
| 1077 | K | 93.4 | Very high | 93 | Very high | 94 Ų | 94 | 76.6 Ų | 76.6 | 41% | 0.409 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 174.7 | -177.8 | 170 | -179.8 | 167.2 | 0 | 112.5 | M175 A1073 A1075 A1079 F1080 E1081 | M175-K1077 HydrophobicContact CG-CB 4.2Å; M175-K1077 HydrophobicContact SD-CB 4.29Å; M175-K1077 HydrophobicContact SD-CG 4.21Å; A1073-K1077 VanDerWaalsContact O-CB 3.29Å; A1073-K1077 WeakPolarHBondContact O-CB 3.49Å; A1073-K1077 PolarHBondContact O-N 2.84Å; A1075-K1077 PolarHBondContact O-N 3.11Å; K1077-A1079 VanDerWaalsContact C-N 3.32Å; K1077-A1079 PolarHBondContact O-N 3Å; K1077-F1080 PolarHBondContact O-N 3.49Å; K1077-E1081 WeakPolarHBondContact CE-OE1 3.06Å; K1077-E1081 WeakPolarHBondContact O-CG 3.46Å; K1077-E1081 PolarHBondContact O-N 3.47Å |
| 1078 | L | 93.5 | Very high | 93.1 | Very high | 99 Ų | 99 | 74.3 Ų | 74.3 | 52% | 0.518 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 176.6 | -72.2 | 170.5 | 0 | 0 | 0 | 112 | K1074 A1075 K1082 | K1074-L1078 HydrophobicContact CG-CD1 4.37Å; K1074-L1078 WeakPolarHBondContact O-CG 3.3Å; K1074-L1078 PolarHBondContact O-N 3.23Å; K1074-L1078 VanDerWaalsContact O-N 3.07Å; A1075-L1078 PolarHBondContact O-N 3.35Å; L1078-K1082 WeakPolarHBondContact O-CB 3.49Å; L1078-K1082 PolarHBondContact O-N 3.31Å; L1078-K1082 VanDerWaalsContact O-N 3.07Å |
| 1079 | A | 93 | Very high | 93.1 | Very high | 49 Ų | 49 | 77.3 Ų | 77.3 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1075 A1076 K1077 K1082 V1083 | A1075-A1079 WeakPolarHBondContact O-CB 3.5Å; A1075-A1079 PolarHBondContact O-N 3.03Å; A1076-A1079 PolarHBondContact O-N 3.4Å; K1077-A1079 VanDerWaalsContact C-N 3.32Å; K1077-A1079 PolarHBondContact O-N 3Å; A1079-K1082 PolarHBondContact O-N 3.44Å; A1079-V1083 WeakPolarHBondContact O-CG2 3.23Å; A1079-V1083 PolarHBondContact O-N 3.09Å; A1079-V1083 VanDerWaalsContact O-N 3.16Å |
| 1080 | F | 95.8 | Very high | 93.1 | Very high | 20 Ų | 20 | 80.8 Ų | 80.8 | 9% | 0.088 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.2 | -47 | 175.4 | 173 | -108.4 | 0 | 0 | 0 | 112.3 | Y168 A171 K172 M175 A1076 K1077 K1082 V1083 K1084 | Y168-F1080 AromaticContact CD2-CE2 3.83Å; Y168-F1080 HydrophobicContact CD2-CE2 3.83Å; Y168-F1080 HydrophobicContact CE1-CE2 4.22Å; Y168-F1080 AromaticContact CE2-CE2 3.5Å; Y168-F1080 HydrophobicContact CE2-CE2 3.5Å; Y168-F1080 VanDerWaalsContact CE2-CE2 3.5Å; Y168-F1080 AromaticContact CE2-CZ 3.8Å; Y168-F1080 HydrophobicContact CE2-CZ 3.8Å; Y168-F1080 HydrophobicContact CG-CE2 4.34Å; Y168-F1080 AromaticContact CZ-CE2 3.69Å; Y168-F1080 AromaticContact CZ-CZ 3.9Å; A171-F1080 HydrophobicContact CB-CB 4.11Å; A171-F1080 HydrophobicContact CB-CD2 4.28Å; K172-F1080 HydrophobicContact CB-CD2 3.8Å; K172-F1080 HydrophobicContact CB-CE2 3.61Å; K172-F1080 HydrophobicContact CB-CZ 4.44Å; K172-F1080 HydrophobicContact CD-CE2 4.14Å; K172-F1080 HydrophobicContact CD-CZ 4.35Å; K172-F1080 HydrophobicContact CG-CD2 4.45Å; K172-F1080 HydrophobicContact CG-CE2 3.93Å; K172-F1080 HydrophobicContact CG-CZ 4.29Å; M175-F1080 HydrophobicContact CB-CB 4.48Å; M175-F1080 HydrophobicContact CE-CD1 4.22Å; M175-F1080 HydrophobicContact CE-CE1 4.4Å; M175-F1080 HydrophobicContact SD-CB 4.2Å; M175-F1080 HydrophobicContact SD-CD1 3.6Å; M175-F1080 VanDerWaalsContact SD-CD1 3.6Å; M175-F1080 HydrophobicContact SD-CE1 4.3Å; M175-F1080 HydrophobicContact SD-CG 4.07Å; A1076-F1080 WeakPolarHBondContact O-CB 3.4Å; A1076-F1080 PolarHBondContact O-N 2.89Å; K1077-F1080 PolarHBondContact O-N 3.49Å; F1080-K1082 VanDerWaalsContact C-N 3.27Å; F1080-K1082 PolarHBondContact O-N 3.07Å; F1080-V1083 PolarHBondContact O-N 3.46Å; F1080-K1084 HydrophobicContact CE1-CD 4.29Å; F1080-K1084 HydrophobicContact CZ-CB 4.47Å; F1080-K1084 HydrophobicContact CZ-CD 4.39Å; F1080-K1084 VanDerWaalsContact O-CB 3.29Å; F1080-K1084 WeakPolarHBondContact O-CB 3.27Å; F1080-K1084 PolarHBondContact O-N 3.13Å |
| 1081 | E | 93 | Very high | 93.3 | Very high | 94 Ų | 94 | 74.2 Ų | 74.2 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 177.6 | -76.9 | 179.3 | -174.8 | 0 | 0 | 112.1 | K1077 K1085 | K1077-E1081 WeakPolarHBondContact CE-OE1 3.06Å; K1077-E1081 WeakPolarHBondContact O-CG 3.46Å; K1077-E1081 PolarHBondContact O-N 3.47Å; E1081-K1085 VanDerWaalsContact O-CB 3.24Å; E1081-K1085 WeakPolarHBondContact O-CB 3.48Å; E1081-K1085 PolarHBondContact O-N 3.35Å |
| 1082 | K | 93.9 | Very high | 93.2 | Very high | 152 Ų | 152 | 68 Ų | 68 | 66% | 0.661 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.6 | -49.9 | 175.4 | -173.7 | -176.5 | 176.6 | -171.8 | 0 | 111.8 | L1078 A1079 F1080 K1085 E1086 | L1078-K1082 WeakPolarHBondContact O-CB 3.49Å; L1078-K1082 PolarHBondContact O-N 3.31Å; L1078-K1082 VanDerWaalsContact O-N 3.07Å; A1079-K1082 PolarHBondContact O-N 3.44Å; F1080-K1082 VanDerWaalsContact C-N 3.27Å; F1080-K1082 PolarHBondContact O-N 3.07Å; K1082-K1085 PolarHBondContact O-N 2.86Å; K1082-E1086 PolarHBondContact O-N 3.37Å |
| 1083 | V | 93.3 | Very high | 93.2 | Very high | 24 Ų | 24 | 69.3 Ų | 69.3 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.8 | -41.4 | -179.6 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | L164 D167 A1079 F1080 K1085 E1086 R1087 | L164-V1083 HydrophobicContact CB-CG1 4.44Å; D167-V1083 HydrophobicContact CB-CG1 4.1Å; A1079-V1083 WeakPolarHBondContact O-CG2 3.23Å; A1079-V1083 PolarHBondContact O-N 3.09Å; A1079-V1083 VanDerWaalsContact O-N 3.16Å; F1080-V1083 PolarHBondContact O-N 3.46Å; V1083-K1085 VanDerWaalsContact C-N 3.34Å; V1083-K1085 PolarHBondContact O-N 3.14Å; V1083-E1086 PolarHBondContact O-N 3.25Å; V1083-R1087 WeakPolarHBondContact O-CB 3.36Å; V1083-R1087 PolarHBondContact O-N 2.95Å |
| 1084 | K | 93.7 | Very high | 93 | Very high | 63 Ų | 63 | 68.8 Ų | 68.8 | 27% | 0.274 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.8 | -48.3 | 173.8 | 171.9 | -180 | 168.7 | 153.7 | 0 | 111.2 | Y168 F1080 R1087 C1088 E1143 | Y168-K1084 HydrophobicContact CD2-CB 4.36Å; Y168-K1084 HydrophobicContact CE2-CB 4.14Å; Y168-K1084 HydrophobicContact CE2-CG 4.36Å; F1080-K1084 HydrophobicContact CE1-CD 4.29Å; F1080-K1084 HydrophobicContact CZ-CB 4.47Å; F1080-K1084 HydrophobicContact CZ-CD 4.39Å; F1080-K1084 VanDerWaalsContact O-CB 3.29Å; F1080-K1084 WeakPolarHBondContact O-CB 3.27Å; F1080-K1084 PolarHBondContact O-N 3.13Å; K1084-R1087 PolarHBondContact O-N 3.39Å; K1084-C1088 VanDerWaalsContact O-CB 3.28Å; K1084-C1088 WeakPolarHBondContact O-CB 3.49Å; K1084-C1088 PolarHBondContact O-N 3.05Å; K1084-E1143 WeakPolarHBondContact CD-OE1 3.44Å; K1084-E1143 WeakPolarHBondContact CE-OE1 3.49Å; K1084-E1143 IonicContact NZ-OE1 3.51Å; K1084-E1143 PolarHBondContact NZ-OE1 3.12Å |
| 1085 | K | 93.4 | Very high | 93 | Very high | 129 Ų | 129 | 62.7 Ų | 62.7 | 56% | 0.561 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.6 | -50 | 179.8 | -179.9 | 175.1 | 173.7 | 177 | 0 | 111.1 | E1081 K1082 V1083 R1087 C1088 E1089 | E1081-K1085 VanDerWaalsContact O-CB 3.24Å; E1081-K1085 WeakPolarHBondContact O-CB 3.48Å; E1081-K1085 PolarHBondContact O-N 3.35Å; K1082-K1085 PolarHBondContact O-N 2.86Å; V1083-K1085 VanDerWaalsContact C-N 3.34Å; V1083-K1085 PolarHBondContact O-N 3.14Å; K1085-R1087 PolarHBondContact O-N 3.22Å; K1085-C1088 PolarHBondContact O-N 3.11Å; K1085-E1089 WeakPolarHBondContact CE-OE1 3.5Å; K1085-E1089 HydrophobicContact CG-CG 4.29Å; K1085-E1089 IonicContact NZ-OE1 3.36Å; K1085-E1089 WeakPolarHBondContact O-CB 3.44Å; K1085-E1089 VanDerWaalsContact O-CG 3.32Å; K1085-E1089 WeakPolarHBondContact O-CG 3.02Å; K1085-E1089 PolarHBondContact O-N 3.49Å |
| 1086 | E | 92.8 | Very high | 92.8 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | -179.7 | -167.5 | -179.6 | 163.2 | 0 | 0 | 112.1 | L164 K1082 V1083 R1090 | L164-E1086 HydrophobicContact CD1-CB 4.04Å; L164-E1086 HydrophobicContact CD1-CG 3.76Å; K1082-E1086 PolarHBondContact O-N 3.37Å; V1083-E1086 PolarHBondContact O-N 3.25Å; E1086-R1090 WeakPolarHBondContact O-CG 3.34Å; E1086-R1090 PolarHBondContact O-N 3.29Å; E1086-R1090 VanDerWaalsContact O-N 3.1Å; E1086-R1090 IonicContact OE1-CZ 3.91Å; E1086-R1090 IonicContact OE1-NE 3.17Å; E1086-R1090 IonicContact OE1-NH2 2.65Å; E1086-R1090 PolarHBondContact OE1-NH2 3.3Å |
| 1087 | R | 94 | Very high | 92.6 | Very high | 4 Ų | 4 | 68.6 Ų | 68.6 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 176.6 | -171.4 | 177.4 | 176.9 | -161.7 | -4.2 | 112 | E156 L164 V1083 K1084 K1085 F1091 Y1145 | E156-R1087 IonicContact OE1-CZ 3.12Å; E156-R1087 IonicContact OE1-NE 2.69Å; E156-R1087 PolarHBondContact OE1-NE 3.04Å; E156-R1087 IonicContact OE1-NH2 3.69Å; E156-R1087 PolarHBondContact OE1-NH2 2.91Å; E156-R1087 IonicContact OE2-NH2 2.8Å; L164-R1087 HydrophobicContact CB-CB 4.19Å; L164-R1087 HydrophobicContact CB-CG 4.33Å; L164-R1087 HydrophobicContact CD1-CB 4.11Å; V1083-R1087 WeakPolarHBondContact O-CB 3.36Å; V1083-R1087 PolarHBondContact O-N 2.95Å; K1084-R1087 PolarHBondContact O-N 3.39Å; K1085-R1087 PolarHBondContact O-N 3.22Å; R1087-F1091 WeakPolarHBondContact O-CB 3.19Å; R1087-F1091 PolarHBondContact O-N 2.98Å; R1087-F1091 VanDerWaalsContact O-N 3.17Å; R1087-Y1145 HydrophobicContact CB-CE1 4.47Å; R1087-Y1145 HydrophobicContact CG-CD1 4.16Å; R1087-Y1145 HydrophobicContact CG-CE1 4.11Å; R1087-Y1145 HydrophobicContact CG-CE2 4.45Å; R1087-Y1145 HydrophobicContact CG-CG 4.35Å |
| 1088 | C | 92.6 | Very high | 92.4 | Very high | 21 Ų | 21 | 64.1 Ų | 64.1 | 14% | 0.142 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.3 | -45 | 178.4 | -166 | 0 | 0 | 0 | 0 | 112.3 | K1084 K1085 R1090 F1091 N1092 Y1145 | K1084-C1088 VanDerWaalsContact O-CB 3.28Å; K1084-C1088 WeakPolarHBondContact O-CB 3.49Å; K1084-C1088 PolarHBondContact O-N 3.05Å; K1085-C1088 PolarHBondContact O-N 3.11Å; C1088-R1090 PolarHBondContact O-N 3.3Å; C1088-F1091 PolarHBondContact O-N 3.28Å; C1088-N1092 WeakPolarHBondContact O-CB 3.46Å; C1088-N1092 PolarHBondContact O-N 2.8Å; C1088-N1092 PolarHBondContact SG-ND2 2.92Å; C1088-Y1145 HydrophobicContact CB-CE1 3.86Å |
| 1089 | E | 92.3 | Very high | 92.2 | Very high | 111 Ų | 111 | 61 Ų | 61 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.6 | -75.6 | 176.3 | 165.9 | 0 | 0 | 112.2 | K1085 R1093 | K1085-E1089 WeakPolarHBondContact CE-OE1 3.5Å; K1085-E1089 HydrophobicContact CG-CG 4.29Å; K1085-E1089 IonicContact NZ-OE1 3.36Å; K1085-E1089 WeakPolarHBondContact O-CB 3.44Å; K1085-E1089 VanDerWaalsContact O-CG 3.32Å; K1085-E1089 WeakPolarHBondContact O-CG 3.02Å; K1085-E1089 PolarHBondContact O-N 3.49Å; E1089-R1093 VanDerWaalsContact O-CB 3.28Å; E1089-R1093 WeakPolarHBondContact O-CB 3.46Å; E1089-R1093 PolarHBondContact O-N 3.24Å; E1089-R1093 VanDerWaalsContact O-N 3.11Å |
| 1090 | R | 92.5 | Very high | 91.9 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 30% | 0.302 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.9 | -72.8 | -176 | -170.9 | -159.1 | 3.9 | 111.6 | S159 R160 E163 E1086 C1088 C1094 | S159-R1090 WeakPolarHBondContact CB-O 3.42Å; R160-R1090 PolarHBondContact O-NH1 2.64Å; E163-R1090 IonicContact OE2-NH1 3.73Å; E1086-R1090 WeakPolarHBondContact O-CG 3.34Å; E1086-R1090 PolarHBondContact O-N 3.29Å; E1086-R1090 VanDerWaalsContact O-N 3.1Å; E1086-R1090 IonicContact OE1-CZ 3.91Å; E1086-R1090 IonicContact OE1-NE 3.17Å; E1086-R1090 IonicContact OE1-NH2 2.65Å; E1086-R1090 PolarHBondContact OE1-NH2 3.3Å; C1088-R1090 PolarHBondContact O-N 3.3Å; R1090-C1094 PolarHBondContact O-N 2.97Å |
| 1091 | F | 93.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 0% | 0.004 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.1 | -51.7 | -178.6 | -169.8 | -81.5 | 0 | 0 | 0 | 111.9 | T152 F155 E156 R1087 C1088 R1093 C1094 F1095 P1144 Y1145 I1149 | T152-F1091 HydrophobicContact CG2-CE2 4.05Å; T152-F1091 HydrophobicContact CG2-CZ 4.01Å; F155-F1091 HydrophobicContact CB-CE2 3.78Å; F155-F1091 HydrophobicContact CB-CZ 3.92Å; E156-F1091 HydrophobicContact CG-CD2 3.99Å; E156-F1091 HydrophobicContact CG-CE2 3.81Å; R1087-F1091 WeakPolarHBondContact O-CB 3.19Å; R1087-F1091 PolarHBondContact O-N 2.98Å; R1087-F1091 VanDerWaalsContact O-N 3.17Å; C1088-F1091 PolarHBondContact O-N 3.28Å; F1091-R1093 VanDerWaalsContact C-N 3.34Å; F1091-R1093 PolarHBondContact O-N 2.89Å; F1091-C1094 WeakPolarHBondContact O-CB 3.44Å; F1091-C1094 PolarHBondContact O-N 3.31Å; F1091-C1094 VanDerWaalsContact O-N 3.12Å; F1091-F1095 HydrophobicContact CD1-CB 4.23Å; F1091-F1095 HydrophobicContact CE1-CB 4.16Å; F1091-F1095 HydrophobicContact CE1-CD2 4.44Å; F1091-F1095 HydrophobicContact CE1-CG 4.43Å; F1091-F1095 WeakPolarHBondContact O-CB 3.12Å; F1091-F1095 PolarHBondContact O-N 2.95Å; F1091-P1144 HydrophobicContact CD1-CB 3.99Å; F1091-P1144 HydrophobicContact CD1-CG 3.44Å; F1091-P1144 VanDerWaalsContact CD1-CG 3.44Å; F1091-P1144 HydrophobicContact CE1-CB 3.56Å; F1091-P1144 HydrophobicContact CE1-CG 3.58Å; F1091-P1144 HydrophobicContact CG-CG 4.35Å; F1091-P1144 HydrophobicContact CZ-CB 4.29Å; F1091-Y1145 HydrophobicContact CB-CD1 4.28Å; F1091-Y1145 HydrophobicContact CG-CD1 4.42Å; F1091-I1149 HydrophobicContact CE1-CD1 3.96Å; F1091-I1149 HydrophobicContact CZ-CD1 3.55Å; F1091-I1149 HydrophobicContact CZ-CG1 4.44Å |
| 1092 | N | 91.7 | Very high | 91.1 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.9 | -38.6 | -176.6 | -73.7 | 2.7 | 0 | 0 | 0 | 111.9 | C1088 C1094 F1095 E1096 P1144 | C1088-N1092 WeakPolarHBondContact O-CB 3.46Å; C1088-N1092 PolarHBondContact O-N 2.8Å; C1088-N1092 PolarHBondContact SG-ND2 2.92Å; N1092-C1094 VanDerWaalsContact C-N 3.27Å; N1092-C1094 PolarHBondContact O-N 3.17Å; N1092-F1095 PolarHBondContact O-N 3.49Å; N1092-E1096 VanDerWaalsContact O-CB 3.31Å; N1092-E1096 WeakPolarHBondContact O-CB 3.48Å; N1092-E1096 VanDerWaalsContact O-CG 3.28Å; N1092-E1096 WeakPolarHBondContact O-CG 3.37Å; N1092-E1096 PolarHBondContact O-N 3.27Å; N1092-P1144 VanDerWaalsContact OD1-CG 3.25Å; N1092-P1144 WeakPolarHBondContact OD1-CG 3.41Å |
| 1093 | R | 90.4 | Very high | 90.6 | Very high | 176 Ų | 176 | 57.6 Ų | 57.6 | 66% | 0.664 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -56.5 | -42.6 | 174.4 | 179.8 | -177.5 | -87.2 | 175.3 | -7.1 | 112 | E1089 F1091 L1097 F1185 | E1089-R1093 VanDerWaalsContact O-CB 3.28Å; E1089-R1093 WeakPolarHBondContact O-CB 3.46Å; E1089-R1093 PolarHBondContact O-N 3.24Å; E1089-R1093 VanDerWaalsContact O-N 3.11Å; F1091-R1093 VanDerWaalsContact C-N 3.34Å; F1091-R1093 PolarHBondContact O-N 2.89Å; R1093-L1097 HydrophobicContact CG-CD1 4.31Å; R1093-L1097 WeakPolarHBondContact O-CD1 3.46Å; R1093-L1097 VanDerWaalsContact O-CG 3.28Å; R1093-L1097 WeakPolarHBondContact O-CG 3.05Å; R1093-F1185 HydrophobicContact CG-CE2 4.22Å |
| 1094 | C | 90.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.4 | -47.9 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 111 | R1090 F1091 N1092 L1097 V1098 F1185 | R1090-C1094 PolarHBondContact O-N 2.97Å; F1091-C1094 WeakPolarHBondContact O-CB 3.44Å; F1091-C1094 PolarHBondContact O-N 3.31Å; F1091-C1094 VanDerWaalsContact O-N 3.12Å; N1092-C1094 VanDerWaalsContact C-N 3.27Å; N1092-C1094 PolarHBondContact O-N 3.17Å; C1094-L1097 PolarHBondContact O-N 2.94Å; C1094-V1098 WeakPolarHBondContact O-CB 3.04Å; C1094-V1098 VanDerWaalsContact O-CG2 3.25Å; C1094-V1098 WeakPolarHBondContact O-CG2 3.43Å; C1094-V1098 PolarHBondContact O-N 3.13Å; C1094-F1185 HydrophobicContact CB-CD1 4.33Å; C1094-F1185 HydrophobicContact CB-CD2 4.06Å; C1094-F1185 HydrophobicContact CB-CE1 4.15Å; C1094-F1185 HydrophobicContact CB-CE2 3.88Å; C1094-F1185 HydrophobicContact CB-CG 4.27Å; C1094-F1185 HydrophobicContact CB-CZ 3.92Å |
| 1095 | F | 91.9 | Very high | 89.2 | Confident | 20 Ų | 20 | 58.8 Ų | 58.8 | 9% | 0.088 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | -176.9 | -179.3 | -98.3 | 0 | 0 | 0 | 113.1 | F155 F1091 N1092 V1098 S1099 L1136 P1138 I1149 | F155-F1095 HydrophobicContact CE1-CD2 4.32Å; F1091-F1095 HydrophobicContact CD1-CB 4.23Å; F1091-F1095 HydrophobicContact CE1-CB 4.16Å; F1091-F1095 HydrophobicContact CE1-CD2 4.44Å; F1091-F1095 HydrophobicContact CE1-CG 4.43Å; F1091-F1095 WeakPolarHBondContact O-CB 3.12Å; F1091-F1095 PolarHBondContact O-N 2.95Å; N1092-F1095 PolarHBondContact O-N 3.49Å; F1095-V1098 PolarHBondContact O-N 3.18Å; F1095-S1099 WeakPolarHBondContact O-CB 3.49Å; F1095-S1099 PolarHBondContact O-N 2.88Å; F1095-L1136 HydrophobicContact CE2-CB 3.87Å; F1095-L1136 HydrophobicContact CZ-CB 4.01Å; F1095-L1136 WeakPolarHBondContact CZ-O 3.35Å; F1095-P1138 HydrophobicContact CE1-CG 3.94Å; F1095-P1138 HydrophobicContact CZ-CB 4.33Å; F1095-P1138 HydrophobicContact CZ-CG 3.94Å; F1095-I1149 HydrophobicContact CD2-CD1 3.63Å; F1095-I1149 HydrophobicContact CD2-CG1 4.39Å; F1095-I1149 HydrophobicContact CE2-CD1 3.77Å; F1095-I1149 HydrophobicContact CE2-CG1 4.06Å; F1095-I1149 HydrophobicContact CE2-CG2 3.81Å |
| 1096 | E | 90.1 | Very high | 88.4 | Confident | 123 Ų | 123 | 53 Ų | 53 | 58% | 0.575 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.8 | -47.7 | -179.9 | -71.7 | 168.8 | -176 | 0 | 0 | 111.3 | N1092 V1098 S1099 E1100 | N1092-E1096 VanDerWaalsContact O-CB 3.31Å; N1092-E1096 WeakPolarHBondContact O-CB 3.48Å; N1092-E1096 VanDerWaalsContact O-CG 3.28Å; N1092-E1096 WeakPolarHBondContact O-CG 3.37Å; N1092-E1096 PolarHBondContact O-N 3.27Å; E1096-V1098 PolarHBondContact O-N 3.09Å; E1096-S1099 PolarHBondContact O-N 3.48Å; E1096-E1100 WeakPolarHBondContact O-CB 3.34Å; E1096-E1100 PolarHBondContact O-N 2.62Å |
| 1097 | L | 88.7 | Confident | 87.1 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 38% | 0.382 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 178.4 | -74 | 172.8 | 0 | 0 | 0 | 112.2 | R1093 C1094 K1101 F1185 | R1093-L1097 HydrophobicContact CG-CD1 4.31Å; R1093-L1097 WeakPolarHBondContact O-CD1 3.46Å; R1093-L1097 VanDerWaalsContact O-CG 3.28Å; R1093-L1097 WeakPolarHBondContact O-CG 3.05Å; C1094-L1097 PolarHBondContact O-N 2.94Å; L1097-K1101 WeakPolarHBondContact O-CB 3.49Å; L1097-K1101 WeakPolarHBondContact O-CG 2.96Å; L1097-K1101 PolarHBondContact O-N 2.76Å; L1097-K1101 VanDerWaalsContact O-N 3.13Å; L1097-F1185 HydrophobicContact CD1-CD2 3.82Å; L1097-F1185 HydrophobicContact CD1-CE2 4.39Å |
| 1098 | V | 90 | Very high | 85.1 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.8 | -37.7 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | F155 C1094 F1095 E1096 K1101 I1102 L1136 L1178 A1181 I1182 F1185 | F155-V1098 HydrophobicContact CE1-CB 3.83Å; F155-V1098 HydrophobicContact CE1-CG1 3.88Å; F155-V1098 HydrophobicContact CE1-CG2 4.02Å; F155-V1098 HydrophobicContact CZ-CB 4.18Å; F155-V1098 HydrophobicContact CZ-CG1 3.73Å; C1094-V1098 WeakPolarHBondContact O-CB 3.04Å; C1094-V1098 VanDerWaalsContact O-CG2 3.25Å; C1094-V1098 WeakPolarHBondContact O-CG2 3.43Å; C1094-V1098 PolarHBondContact O-N 3.13Å; F1095-V1098 PolarHBondContact O-N 3.18Å; E1096-V1098 PolarHBondContact O-N 3.09Å; V1098-K1101 PolarHBondContact O-N 3.35Å; V1098-I1102 VanDerWaalsContact O-CB 3.28Å; V1098-I1102 WeakPolarHBondContact O-CB 3.01Å; V1098-I1102 WeakPolarHBondContact O-CG2 3.48Å; V1098-I1102 PolarHBondContact O-N 3.34Å; V1098-L1136 HydrophobicContact CG1-CD1 3.92Å; V1098-L1178 HydrophobicContact CG1-CD1 4.42Å; V1098-A1181 HydrophobicContact CG1-CB 3.82Å; V1098-I1182 HydrophobicContact CG1-CG1 4.25Å; V1098-F1185 HydrophobicContact CG2-CB 4.29Å |
| 1099 | S | 89.2 | Confident | 82.5 | Confident | 33 Ų | 33 | 58.1 Ų | 58.1 | 23% | 0.231 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.4 | -34.1 | 179 | -167.1 | 0 | 0 | 0 | 0 | 112.7 | F1095 E1096 I1102 | F1095-S1099 WeakPolarHBondContact O-CB 3.49Å; F1095-S1099 PolarHBondContact O-N 2.88Å; E1096-S1099 PolarHBondContact O-N 3.48Å; S1099-I1102 WeakPolarHBondContact O-CG2 3.26Å |
| 1100 | E | 86.6 | Confident | 79.8 | Confident | 131 Ų | 131 | 58.6 Ų | 58.6 | 61% | 0.612 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.1 | -46.4 | 171.7 | -173.4 | 179.3 | -176.8 | 0 | 0 | 110.9 | E1096 | E1096-E1100 WeakPolarHBondContact O-CB 3.34Å; E1096-E1100 PolarHBondContact O-N 2.62Å |
| 1101 | K | 85.5 | Confident | 77.1 | Confident | 68 Ų | 68 | 60.3 Ų | 60.3 | 30% | 0.296 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -76.4 | -25.8 | -175.1 | -70.7 | -71.4 | 170.8 | -159.3 | 0 | 114.6 | L1097 V1098 E1104 I1105 | L1097-K1101 WeakPolarHBondContact O-CB 3.49Å; L1097-K1101 WeakPolarHBondContact O-CG 2.96Å; L1097-K1101 PolarHBondContact O-N 2.76Å; L1097-K1101 VanDerWaalsContact O-N 3.13Å; V1098-K1101 PolarHBondContact O-N 3.35Å; K1101-E1104 WeakPolarHBondContact CD-OE2 3.45Å; K1101-E1104 WeakPolarHBondContact CE-OE2 3Å; K1101-E1104 IonicContact NZ-OE1 3.54Å; K1101-E1104 PolarHBondContact NZ-OE1 2.93Å; K1101-E1104 IonicContact NZ-OE2 2.62Å; K1101-E1104 PolarHBondContact NZ-OE2 3.04Å; K1101-E1104 WeakPolarHBondContact O-CB 3.27Å; K1101-E1104 PolarHBondContact O-N 2.88Å; K1101-I1105 HydrophobicContact CB-CD1 4.4Å; K1101-I1105 WeakPolarHBondContact O-CB 3.37Å; K1101-I1105 WeakPolarHBondContact O-CD1 3.34Å; K1101-I1105 WeakPolarHBondContact O-CG1 3.37Å; K1101-I1105 PolarHBondContact O-N 3.36Å |
| 1102 | I | 87.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.9 | -41.8 | -177.8 | -165.5 | 168.3 | 0 | 0 | 0 | 112.3 | V1098 S1099 Y1106 A1134 L1136 Y1151 L1178 A1181 | V1098-I1102 VanDerWaalsContact O-CB 3.28Å; V1098-I1102 WeakPolarHBondContact O-CB 3.01Å; V1098-I1102 WeakPolarHBondContact O-CG2 3.48Å; V1098-I1102 PolarHBondContact O-N 3.34Å; S1099-I1102 WeakPolarHBondContact O-CG2 3.26Å; I1102-Y1106 VanDerWaalsContact O-CB 3.28Å; I1102-Y1106 WeakPolarHBondContact O-CB 3.35Å; I1102-Y1106 PolarHBondContact O-N 2.82Å; I1102-A1134 HydrophobicContact CG1-CB 4.26Å; I1102-L1136 HydrophobicContact CD1-CD1 3.98Å; I1102-L1136 HydrophobicContact CD1-CD2 4.39Å; I1102-L1136 HydrophobicContact CD1-CG 4.05Å; I1102-L1136 HydrophobicContact CG2-CD1 4.2Å; I1102-L1136 HydrophobicContact CG2-CG 4.33Å; I1102-Y1151 HydrophobicContact CD1-CD2 4.02Å; I1102-Y1151 HydrophobicContact CD1-CE2 3.34Å; I1102-Y1151 HydrophobicContact CG1-CE2 4.31Å; I1102-L1178 HydrophobicContact CD1-CB 4.12Å; I1102-L1178 HydrophobicContact CD1-CD1 3.72Å; I1102-A1181 HydrophobicContact CB-CB 3.72Å; I1102-A1181 HydrophobicContact CG1-CB 4.11Å |
| 1103 | D | 81.7 | Confident | 71.8 | Confident | 45 Ų | 45 | 75.9 Ų | 75.9 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.4 | -39.8 | 177.8 | -161.9 | 43.2 | 0 | 0 | 0 | 109.9 | Y1106 K1107 A1134 | D1103-Y1106 PolarHBondContact O-N 3.23Å; D1103-K1107 VanDerWaalsContact CG-NZ 3.28Å; D1103-K1107 WeakPolarHBondContact O-CB 3.43Å; D1103-K1107 WeakPolarHBondContact O-CG 3.44Å; D1103-K1107 PolarHBondContact O-N 2.79Å; D1103-K1107 WeakPolarHBondContact OD1-CD 3.49Å; D1103-K1107 WeakPolarHBondContact OD1-CE 3.36Å; D1103-K1107 IonicContact OD1-NZ 3.94Å; D1103-K1107 PolarHBondContact OD1-NZ 3.22Å; D1103-K1107 WeakPolarHBondContact OD2-CD 3.17Å; D1103-K1107 WeakPolarHBondContact OD2-CE 3.39Å; D1103-K1107 IonicContact OD2-NZ 2.69Å; D1103-K1107 PolarHBondContact OD2-NZ 3.23Å; D1103-A1134 WeakPolarHBondContact CA-O 3.46Å; D1103-A1134 VanDerWaalsContact CB-O 3.27Å; D1103-A1134 WeakPolarHBondContact CB-O 3.4Å; D1103-A1134 PolarHBondContact OD1-N 2.79Å |
| 1104 | E | 78.5 | Confident | 69.3 | Low | 83 Ų | 83 | 75.5 Ų | 75.5 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.7 | -54.1 | 173.5 | -171.1 | -178 | 143.7 | 0 | 0 | 111.4 | K1101 Y1106 K1107 V1108 | K1101-E1104 WeakPolarHBondContact CD-OE2 3.45Å; K1101-E1104 WeakPolarHBondContact CE-OE2 3Å; K1101-E1104 IonicContact NZ-OE1 3.54Å; K1101-E1104 PolarHBondContact NZ-OE1 2.93Å; K1101-E1104 IonicContact NZ-OE2 2.62Å; K1101-E1104 PolarHBondContact NZ-OE2 3.04Å; K1101-E1104 WeakPolarHBondContact O-CB 3.27Å; K1101-E1104 PolarHBondContact O-N 2.88Å; E1104-Y1106 PolarHBondContact O-N 3.39Å; E1104-K1107 PolarHBondContact O-N 3.14Å; E1104-V1108 HydrophobicContact CB-CG2 4.03Å; E1104-V1108 HydrophobicContact CG-CG2 3.27Å; E1104-V1108 WeakPolarHBondContact O-CB 2.98Å; E1104-V1108 WeakPolarHBondContact O-CG2 3.2Å; E1104-V1108 PolarHBondContact O-N 3.04Å |
| 1105 | I | 78.7 | Confident | 66.6 | Low | 29 Ų | 29 | 85.2 Ų | 85.2 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.7 | -30.6 | -179.7 | -68.1 | 162.8 | 0 | 0 | 0 | 111.8 | K1101 A1177 F1180 A1181 F1211 | K1101-I1105 HydrophobicContact CB-CD1 4.4Å; K1101-I1105 WeakPolarHBondContact O-CB 3.37Å; K1101-I1105 WeakPolarHBondContact O-CD1 3.34Å; K1101-I1105 WeakPolarHBondContact O-CG1 3.37Å; K1101-I1105 PolarHBondContact O-N 3.36Å; I1105-A1177 HydrophobicContact CG2-CB 4.2Å; I1105-F1180 HydrophobicContact CD1-CB 3.94Å; I1105-F1180 HydrophobicContact CG2-CB 4.24Å; I1105-A1181 HydrophobicContact CD1-CB 4.03Å; I1105-F1211 HydrophobicContact CG2-CE2 4.37Å; I1105-F1211 HydrophobicContact CG2-CZ 3.97Å |
| 1106 | Y | 78.3 | Confident | 63.8 | Low | 9 Ų | 9 | 92.4 Ų | 92.4 | 4% | 0.035 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -81.5 | -27.6 | 179.5 | -157.1 | -102.9 | 0 | 0 | 0 | 113.5 | I1102 D1103 E1104 S1127 A1132 Q1133 A1134 V1154 A1177 | I1102-Y1106 VanDerWaalsContact O-CB 3.28Å; I1102-Y1106 WeakPolarHBondContact O-CB 3.35Å; I1102-Y1106 PolarHBondContact O-N 2.82Å; D1103-Y1106 PolarHBondContact O-N 3.23Å; E1104-Y1106 PolarHBondContact O-N 3.39Å; Y1106-S1127 PolarHBondContact O-OG 3.21Å; Y1106-S1127 VanDerWaalsContact O-OG 3.05Å; Y1106-A1132 HydrophobicContact CD1-CB 3.88Å; Y1106-A1132 HydrophobicContact CE1-CB 3.71Å; Y1106-Q1133 VanDerWaalsContact CD1-C 3.49Å; Y1106-Q1133 WeakPolarHBondContact CE1-O 3.3Å; Y1106-A1134 HydrophobicContact CD1-CB 3.76Å; Y1106-A1134 HydrophobicContact CD2-CB 4.07Å; Y1106-A1134 HydrophobicContact CE1-CB 4.38Å; Y1106-A1134 HydrophobicContact CG-CB 3.57Å; Y1106-V1154 WeakPolarHBondContact CE1-O 3.39Å; Y1106-A1177 HydrophobicContact CD2-CB 3.81Å |
| 1107 | K | 65.8 | Low | 61.1 | Low | 52 Ų | 52 | 94 Ų | 94 | 23% | 0.226 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -107.5 | -36.6 | -171 | -79.4 | -179.1 | 177.5 | 162.5 | 0 | 118 | D1103 E1104 D1109 A1132 Q1133 | D1103-K1107 VanDerWaalsContact CG-NZ 3.28Å; D1103-K1107 WeakPolarHBondContact O-CB 3.43Å; D1103-K1107 WeakPolarHBondContact O-CG 3.44Å; D1103-K1107 PolarHBondContact O-N 2.79Å; D1103-K1107 WeakPolarHBondContact OD1-CD 3.49Å; D1103-K1107 WeakPolarHBondContact OD1-CE 3.36Å; D1103-K1107 IonicContact OD1-NZ 3.94Å; D1103-K1107 PolarHBondContact OD1-NZ 3.22Å; D1103-K1107 WeakPolarHBondContact OD2-CD 3.17Å; D1103-K1107 WeakPolarHBondContact OD2-CE 3.39Å; D1103-K1107 IonicContact OD2-NZ 2.69Å; D1103-K1107 PolarHBondContact OD2-NZ 3.23Å; E1104-K1107 PolarHBondContact O-N 3.14Å; K1107-D1109 PolarHBondContact O-N 2.89Å; K1107-A1132 WeakPolarHBondContact CE-O 3.45Å; K1107-A1132 WeakPolarHBondContact CG-O 3.19Å; K1107-Q1133 VanDerWaalsContact CE-CG 3.41Å |
| 1108 | V | 50.9 | Low | 58.4 | Low | 43 Ų | 43 | 96.5 Ų | 96.5 | 26% | 0.261 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 119.7 | -138.5 | 157.9 | 0 | 0 | 0 | 0 | 118.9 | E1104 L1124 T1125 | E1104-V1108 HydrophobicContact CB-CG2 4.03Å; E1104-V1108 HydrophobicContact CG-CG2 3.27Å; E1104-V1108 WeakPolarHBondContact O-CB 2.98Å; E1104-V1108 WeakPolarHBondContact O-CG2 3.2Å; E1104-V1108 PolarHBondContact O-N 3.04Å; V1108-L1124 HydrophobicContact CG1-CD1 4.04Å; V1108-T1125 WeakPolarHBondContact O-CG2 2.7Å |
| 1109 | D | 38.1 | Very low | 55.7 | Low | 104 Ų | 104 | 104 Ų | 104 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -76 | 136.3 | 149.3 | -74 | -60.4 | 0 | 0 | 0 | 111.3 | K1107 Q1130 | K1107-D1109 PolarHBondContact O-N 2.89Å; D1109-Q1130 PolarHBondContact OD1-NE2 2.78Å; D1109-Q1130 VanDerWaalsContact OD1-NE2 3.15Å |
| 1110 | Y | 35.7 | Very low | 53.3 | Low | 121 Ų | 121 | 106.9 Ų | 106.9 | 48% | 0.475 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 141.2 | 156.8 | -85.7 | -70.5 | 0 | 0 | 0 | 110.3 | K1112 F1121 L1124 | Y1110-K1112 PolarHBondContact O-N 3.42Å; Y1110-F1121 HydrophobicContact CD2-CD1 4.3Å; Y1110-F1121 HydrophobicContact CE1-CD1 4.46Å; Y1110-F1121 AromaticContact CE1-CE1 3.99Å; Y1110-F1121 HydrophobicContact CE1-CE1 3.99Å; Y1110-F1121 AromaticContact CE2-CD1 3.61Å; Y1110-F1121 HydrophobicContact CE2-CD1 3.61Å; Y1110-F1121 AromaticContact CE2-CE1 3.67Å; Y1110-F1121 HydrophobicContact CE2-CE1 3.67Å; Y1110-F1121 AromaticContact CZ-CD1 3.78Å; Y1110-F1121 AromaticContact CZ-CE1 3.33Å; Y1110-F1121 WeakPolarHBondContact OH-CE1 3.41Å; Y1110-L1124 HydrophobicContact CD2-CD1 3.84Å; Y1110-L1124 HydrophobicContact CE2-CD1 3.08Å; Y1110-L1124 HydrophobicContact CE2-CG 4.07Å |
| 1111 | P | 36.6 | Very low | 51.1 | Low | 116 Ų | 116 | 105.9 Ų | 105.9 | 75% | 0.753 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 117.7 | 170.6 | 27.9 | -30.5 | 0 | 0 | 0 | 110.9 | Q1113 | P1111-Q1113 PolarHBondContact O-N 3.4Š|
| 1112 | K | 35.4 | Very low | 48.8 | Very low | 212 Ų | 212 | 108.2 Ų | 108.2 | 92% | 0.922 | 56% | 0.558 | S | S | * | * | trans | -72.8 | 69.7 | 177.8 | -67.9 | -179.3 | 175.4 | 179.5 | 0 | 113.2 | Y1110 | Y1110-K1112 PolarHBondContact O-N 3.42Š| ||
| 1113 | Q | 38.3 | Very low | 46.5 | Very low | 155 Ų | 155 | 112.7 Ų | 112.7 | 72% | 0.724 | 58% | 0.581 | S | S | * | * | trans | -123.5 | -9.3 | 175.6 | -84.6 | -174.4 | -14.4 | 0 | 0 | 117.9 | P1111 | P1111-Q1113 PolarHBondContact O-N 3.4Š| ||
| 1114 | D | 37.6 | Very low | 44.6 | Very low | 168 Ų | 168 | 112.2 Ų | 112.2 | 90% | 0.898 | 58% | 0.579 | S | S | * | * | trans | -112.9 | 87 | 174.1 | -76.8 | -31.1 | 0 | 0 | 0 | 112.2 | H1116 | D1114-H1116 PolarHBondContact O-N 3.3Š| ||
| 1115 | F | 33.6 | Very low | 43.2 | Very low | 204 Ų | 204 | 109.1 Ų | 109.1 | 90% | 0.895 | 57% | 0.565 | S | S | * | * | trans | -92.1 | 83.1 | 177 | -171 | -95.1 | 0 | 0 | 0 | 110.2 | ||||
| 1116 | H | 33 | Very low | 41.9 | Very low | 171 Ų | 171 | 108 Ų | 108 | 79% | 0.792 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -166.7 | -4.2 | 150.5 | -136.3 | -72.8 | 0 | 0 | 0 | 117.9 | D1114 | D1114-H1116 PolarHBondContact O-N 3.3Š|
| 1117 | L | 32.9 | Very low | 40.5 | Very low | 158 Ų | 158 | 107.9 Ų | 107.9 | 83% | 0.827 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -147.9 | 104.2 | -179.3 | -81.1 | 159.3 | 0 | 0 | 0 | 109 | ||
| 1118 | L | 31.9 | Very low | 39.8 | Very low | 125 Ų | 125 | 112.2 Ų | 112.2 | 65% | 0.654 | 58% | 0.575 | S | S | * | * | trans | 142.4 | 83.1 | 158.7 | -79.3 | 151.2 | 0 | 0 | 0 | 112 | S1120 F1121 | L1118-S1120 PolarHBondContact O-N 2.71Å; L1118-S1120 VanDerWaalsContact O-N 3.08Å; L1118-F1121 HydrophobicContact CB-CB 4.49Å | ||
| 1119 | T | 33.6 | Very low | 39.9 | Very low | 157 Ų | 157 | 113.9 Ų | 113.9 | 96% | 0.963 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 26.5 | 173.6 | -33.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1120 | S | 39.7 | Very low | 40.9 | Very low | 94 Ų | 94 | 115.5 Ų | 115.5 | 66% | 0.657 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.2 | 8.9 | -173.7 | 58.8 | 0 | 0 | 0 | 0 | 115.6 | L1118 | L1118-S1120 PolarHBondContact O-N 2.71Å; L1118-S1120 VanDerWaalsContact O-N 3.08Å |
| 1121 | F | 39.4 | Very low | 42.4 | Very low | 110 Ų | 110 | 112.5 Ų | 112.5 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | trans | -105.8 | 19.9 | -167.5 | -134.6 | -114.2 | 0 | 0 | 0 | 115.1 | Y1110 L1118 | Y1110-F1121 HydrophobicContact CD2-CD1 4.3Å; Y1110-F1121 HydrophobicContact CE1-CD1 4.46Å; Y1110-F1121 AromaticContact CE1-CE1 3.99Å; Y1110-F1121 HydrophobicContact CE1-CE1 3.99Å; Y1110-F1121 AromaticContact CE2-CD1 3.61Å; Y1110-F1121 HydrophobicContact CE2-CD1 3.61Å; Y1110-F1121 AromaticContact CE2-CE1 3.67Å; Y1110-F1121 HydrophobicContact CE2-CE1 3.67Å; Y1110-F1121 AromaticContact CZ-CD1 3.78Å; Y1110-F1121 AromaticContact CZ-CE1 3.33Å; Y1110-F1121 WeakPolarHBondContact OH-CE1 3.41Å; L1118-F1121 HydrophobicContact CB-CB 4.49Å | ||
| 1122 | S | 36.7 | Very low | 44.2 | Very low | 116 Ų | 116 | 107 Ų | 107 | 81% | 0.811 | 55% | 0.548 | S | S | * | . | trans | -101.6 | 28.8 | -165.9 | -172 | 0 | 0 | 0 | 0 | 116 | ||||
| 1123 | L | 39.2 | Very low | 46.4 | Very low | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | trans | -123.4 | 8.4 | -168.6 | -77.1 | 169.5 | 0 | 0 | 0 | 117.7 | T1125 | L1123-T1125 PolarHBondContact O-N 3.44Š| ||
| 1124 | L | 42.9 | Very low | 48.7 | Very low | 36 Ų | 36 | 93.6 Ų | 93.6 | 19% | 0.188 | 49% | 0.488 | C | S | . | . | trans | -73 | 111.1 | 174.2 | -75.4 | 175.5 | 0 | 0 | 0 | 111.6 | V1108 Y1110 E1214 | V1108-L1124 HydrophobicContact CG1-CD1 4.04Å; Y1110-L1124 HydrophobicContact CD2-CD1 3.84Å; Y1110-L1124 HydrophobicContact CE2-CD1 3.08Å; Y1110-L1124 HydrophobicContact CE2-CG 4.07Å; L1124-E1214 WeakPolarHBondContact CD2-OE1 3.46Å; L1124-E1214 WeakPolarHBondContact CD2-OE2 3.32Å; L1124-E1214 WeakPolarHBondContact CG-OE1 3.25Å; L1124-E1214 WeakPolarHBondContact CG-OE2 3.4Å | ||
| 1125 | T | 48.3 | Very low | 51.1 | Low | 18 Ų | 18 | 89 Ų | 89 | 11% | 0.11 | 46% | 0.459 | C | S | . | . | trans | 163.9 | 136.8 | 137.6 | 38.6 | 0 | 0 | 0 | 0 | 112.7 | V1108 L1123 S1127 R1128 | V1108-T1125 WeakPolarHBondContact O-CG2 2.7Å; L1123-T1125 PolarHBondContact O-N 3.44Å; T1125-S1127 VanDerWaalsContact C-N 3.28Å; T1125-S1127 PolarHBondContact O-N 2.94Å; T1125-R1128 VanDerWaalsContact OG1-CA 3.25Å; T1125-R1128 WeakPolarHBondContact OG1-CA 3.3Å; T1125-R1128 VanDerWaalsContact OG1-CG 3.3Å; T1125-R1128 WeakPolarHBondContact OG1-CG 3.34Å; T1125-R1128 PolarHBondContact OG1-N 2.89Å | ||
| 1126 | M | 52.3 | Low | 53.8 | Low | 6 Ų | 6 | 79.4 Ų | 79.4 | 3% | 0.03 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -70.3 | -22 | 169.2 | -67.5 | -168.2 | 85 | 0 | 0 | 113.2 | L1173 L1176 K1207 V1208 F1211 | M1126-L1173 HydrophobicContact CB-CD2 4.2Å; M1126-L1173 HydrophobicContact CE-CD2 3.34Å; M1126-L1173 HydrophobicContact SD-CD2 4.41Å; M1126-L1176 HydrophobicContact CE-CB 3.92Å; M1126-L1176 HydrophobicContact CE-CD1 3.55Å; M1126-L1176 HydrophobicContact CE-CG 4.38Å; M1126-L1176 HydrophobicContact SD-CB 4.15Å; M1126-K1207 VanDerWaalsContact O-CD 3.25Å; M1126-K1207 WeakPolarHBondContact O-CD 3.44Å; M1126-V1208 HydrophobicContact CE-CB 3.91Å; M1126-V1208 HydrophobicContact CE-CG1 3.84Å; M1126-V1208 HydrophobicContact CE-CG2 3.18Å; M1126-F1211 HydrophobicContact CG-CB 4.27Å; M1126-F1211 HydrophobicContact CG-CD1 4.4Å; M1126-F1211 HydrophobicContact CG-CG 4.16Å |
| 1127 | S | 49.8 | Very low | 56.5 | Low | 6 Ų | 6 | 75.1 Ų | 75.1 | 4% | 0.042 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -112.4 | -22.4 | -174.4 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | Y1106 T1125 N1129 K1207 | Y1106-S1127 PolarHBondContact O-OG 3.21Å; Y1106-S1127 VanDerWaalsContact O-OG 3.05Å; T1125-S1127 VanDerWaalsContact C-N 3.28Å; T1125-S1127 PolarHBondContact O-N 2.94Å; S1127-N1129 PolarHBondContact O-N 2.84Å; S1127-N1129 PolarHBondContact O-ND2 2.96Å; S1127-K1207 PolarHBondContact O-NZ 3Å |
| 1128 | R | 50.7 | Low | 59.2 | Low | 142 Ų | 142 | 69.3 Ų | 69.3 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | trans | 44.8 | 40.4 | -174.9 | -69.8 | -171.6 | 179.6 | 173.1 | -1.3 | 113.5 | T1125 K1207 | T1125-R1128 VanDerWaalsContact OG1-CA 3.25Å; T1125-R1128 WeakPolarHBondContact OG1-CA 3.3Å; T1125-R1128 VanDerWaalsContact OG1-CG 3.3Å; T1125-R1128 WeakPolarHBondContact OG1-CG 3.34Å; T1125-R1128 PolarHBondContact OG1-N 2.89Å; R1128-K1207 HydrophobicContact CG-CD 4.12Å; R1128-K1207 HydrophobicContact CG-CG 4.38Å | ||
| 1129 | N | 53.2 | Low | 61.9 | Low | 79 Ų | 79 | 67.5 Ų | 67.5 | 42% | 0.422 | 36% | 0.363 | S | S | . | . | trans | -152.8 | 125 | -177.9 | -90.5 | -65.1 | 0 | 0 | 0 | 113 | S1127 S1131 A1132 P1156 | S1127-N1129 PolarHBondContact O-N 2.84Å; S1127-N1129 PolarHBondContact O-ND2 2.96Å; N1129-S1131 PolarHBondContact O-N 3.5Å; N1129-S1131 VanDerWaalsContact O-N 3.1Å; N1129-A1132 WeakPolarHBondContact O-CB 3.3Å; N1129-A1132 PolarHBondContact O-N 3.01Å; N1129-P1156 HydrophobicContact CB-CB 3.52Å; N1129-P1156 HydrophobicContact CB-CG 3.74Å; N1129-P1156 WeakPolarHBondContact ND2-CB 3.47Å | ||
| 1130 | Q | 57.9 | Low | 64.6 | Low | 138 Ų | 138 | 61.9 Ų | 61.9 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.1 | 178.4 | -65.5 | 177.8 | -16.5 | 0 | 0 | 114.2 | D1109 | D1109-Q1130 PolarHBondContact OD1-NE2 2.78Å; D1109-Q1130 VanDerWaalsContact OD1-NE2 3.15Å |
| 1131 | S | 68.3 | Low | 66.8 | Low | 58 Ų | 58 | 62.1 Ų | 62.1 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.2 | 179.3 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | N1129 G1157 | N1129-S1131 PolarHBondContact O-N 3.5Å; N1129-S1131 VanDerWaalsContact O-N 3.1Å; S1131-G1157 PolarHBondContact OG-N 3.19Å; S1131-G1157 VanDerWaalsContact OG-N 3.12Å |
| 1132 | A | 72.8 | Confident | 69 | Low | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | trans | -76.1 | 141.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y1106 K1107 N1129 V1154 P1156 | Y1106-A1132 HydrophobicContact CD1-CB 3.88Å; Y1106-A1132 HydrophobicContact CE1-CB 3.71Å; K1107-A1132 WeakPolarHBondContact CE-O 3.45Å; K1107-A1132 WeakPolarHBondContact CG-O 3.19Å; N1129-A1132 WeakPolarHBondContact O-CB 3.3Å; N1129-A1132 PolarHBondContact O-N 3.01Å; A1132-V1154 VanDerWaalsContact CA-O 3.26Å; A1132-V1154 WeakPolarHBondContact CA-O 3.04Å; A1132-P1156 HydrophobicContact CB-CG 4.12Å | ||
| 1133 | Q | 83.2 | Confident | 71.5 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 145.9 | 174.4 | -43.8 | -166 | -28.8 | 0 | 0 | 111.7 | Y1106 K1107 C1153 V1154 | Y1106-Q1133 VanDerWaalsContact CD1-C 3.49Å; Y1106-Q1133 WeakPolarHBondContact CE1-O 3.3Å; K1107-Q1133 VanDerWaalsContact CE-CG 3.41Å; Q1133-C1153 CarbonylContact O-C 3.59Å; Q1133-C1153 WeakPolarHBondContact O-CA 3.2Å; Q1133-V1154 HydrophobicContact CB-CB 4.27Å; Q1133-V1154 HydrophobicContact CB-CG2 4.42Å; Q1133-V1154 PolarHBondContact N-O 2.84Å; Q1133-V1154 VanDerWaalsContact N-O 3.08Å; Q1133-V1154 PolarHBondContact O-N 2.89Å |
| 1134 | A | 85.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 127.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I1102 D1103 Y1106 Y1151 N1152 | I1102-A1134 HydrophobicContact CG1-CB 4.26Å; D1103-A1134 WeakPolarHBondContact CA-O 3.46Å; D1103-A1134 VanDerWaalsContact CB-O 3.27Å; D1103-A1134 WeakPolarHBondContact CB-O 3.4Å; D1103-A1134 PolarHBondContact OD1-N 2.79Å; Y1106-A1134 HydrophobicContact CD1-CB 3.76Å; Y1106-A1134 HydrophobicContact CD2-CB 4.07Å; Y1106-A1134 HydrophobicContact CE1-CB 4.38Å; Y1106-A1134 HydrophobicContact CG-CB 3.57Å; A1134-Y1151 HydrophobicContact CB-CE2 4.29Å; A1134-N1152 WeakPolarHBondContact CA-O 3.46Å |
| 1135 | Y | 88.5 | Confident | 76.1 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 149 | -179.5 | 57.3 | -89.5 | 0 | 0 | 0 | 111.8 | N1137 N1152 F1160 | Y1135-N1137 WeakPolarHBondContact CD2-ND2 3.1Å; Y1135-N1137 WeakPolarHBondContact CE2-ND2 3.19Å; Y1135-N1152 HydrophobicContact CD1-CB 4.48Å; Y1135-N1152 HydrophobicContact CD2-CB 4.09Å; Y1135-N1152 HydrophobicContact CE1-CB 4.02Å; Y1135-N1152 HydrophobicContact CE2-CB 3.58Å; Y1135-N1152 WeakPolarHBondContact CE2-ND2 3.45Å; Y1135-N1152 PolarHBondContact N-O 2.94Å; Y1135-N1152 PolarHBondContact O-N 3.3Å; Y1135-N1152 VanDerWaalsContact O-N 3.12Å; Y1135-F1160 WeakPolarHBondContact OH-CD2 3.39Å; Y1135-F1160 WeakPolarHBondContact OH-CE2 3.28Å |
| 1136 | L | 90.2 | Very high | 78.1 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.3 | 176.7 | -68 | 167.6 | 0 | 0 | 0 | 108.7 | L151 F155 F1095 V1098 I1102 I1149 M1150 Y1151 L1178 | L151-L1136 HydrophobicContact CD2-CD2 4.16Å; F155-L1136 HydrophobicContact CE2-CD1 4.41Å; F155-L1136 HydrophobicContact CZ-CD1 3.8Å; F1095-L1136 HydrophobicContact CE2-CB 3.87Å; F1095-L1136 HydrophobicContact CZ-CB 4.01Å; F1095-L1136 WeakPolarHBondContact CZ-O 3.35Å; V1098-L1136 HydrophobicContact CG1-CD1 3.92Å; I1102-L1136 HydrophobicContact CD1-CD1 3.98Å; I1102-L1136 HydrophobicContact CD1-CD2 4.39Å; I1102-L1136 HydrophobicContact CD1-CG 4.05Å; I1102-L1136 HydrophobicContact CG2-CD1 4.2Å; I1102-L1136 HydrophobicContact CG2-CG 4.33Å; L1136-I1149 HydrophobicContact CB-CG2 4.25Å; L1136-I1149 HydrophobicContact CD2-CG2 3.98Å; L1136-M1150 WeakPolarHBondContact CA-O 3.41Å; L1136-Y1151 HydrophobicContact CD2-CD2 3.61Å; L1136-Y1151 HydrophobicContact CD2-CG 3.89Å; L1136-Y1151 HydrophobicContact CG-CD2 4.32Å; L1136-L1178 HydrophobicContact CD1-CD1 4.33Å |
| 1137 | N | 89 | Confident | 79.8 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 43% | 0.428 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123 | 178.9 | -71.1 | -17.6 | 0 | 0 | 0 | 110.2 | Y1135 M1150 | Y1135-N1137 WeakPolarHBondContact CD2-ND2 3.1Å; Y1135-N1137 WeakPolarHBondContact CE2-ND2 3.19Å; N1137-M1150 PolarHBondContact N-O 3.33Å; N1137-M1150 PolarHBondContact O-N 2.86Å |
| 1138 | P | 90.6 | Very high | 81.7 | Confident | 36 Ų | 36 | 60 Ų | 60 | 23% | 0.234 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 136.6 | 171.3 | 31.7 | -25.3 | 0 | 0 | 0 | 109.8 | F1095 N1140 P1144 | F1095-P1138 HydrophobicContact CE1-CG 3.94Å; F1095-P1138 HydrophobicContact CZ-CB 4.33Å; F1095-P1138 HydrophobicContact CZ-CG 3.94Å; P1138-N1140 VanDerWaalsContact C-N 3.25Å; P1138-N1140 PolarHBondContact O-N 3.44Å; P1138-P1144 HydrophobicContact CB-CB 3.91Å |
| 1139 | D | 89.4 | Confident | 83.6 | Confident | 88 Ų | 88 | 53.2 Ų | 53.2 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -63.5 | -34.9 | 177.3 | -68.5 | -27.5 | 0 | 0 | 0 | 111.5 | E1147 G1148 | D1139-E1147 HydrophobicContact CB-CB 3.97Å; D1139-G1148 PolarHBondContact N-O 2.92Å; D1139-G1148 WeakPolarHBondContact OD2-CA 3.39Å; D1139-G1148 PolarHBondContact OD2-N 3.48Å |
| 1140 | N | 88.6 | Confident | 85.2 | Confident | 38 Ų | 38 | 53 Ų | 53 | 20% | 0.203 | 27% | 0.273 | C | S | . | . | trans | -125.4 | 105.2 | 178.8 | -175.4 | -21.8 | 0 | 0 | 0 | 111 | P1138 E1142 E1143 P1144 E1147 | P1138-N1140 VanDerWaalsContact C-N 3.25Å; P1138-N1140 PolarHBondContact O-N 3.44Å; N1140-E1142 VanDerWaalsContact C-N 3.3Å; N1140-E1142 PolarHBondContact O-N 2.94Å; N1140-E1142 PolarHBondContact OD1-N 3.21Å; N1140-E1143 CarbonylContact O-C 3.56Å; N1140-E1143 PolarHBondContact OD1-N 2.92Å; N1140-P1144 WeakPolarHBondContact O-CA 3.09Å; N1140-P1144 WeakPolarHBondContact O-CB 3.3Å; N1140-E1147 HydrophobicContact CB-CB 4.15Å; N1140-E1147 VanDerWaalsContact CB-CD 3.48Å; N1140-E1147 HydrophobicContact CB-CG 4.07Å; N1140-E1147 PolarHBondContact ND2-OE1 3Å | ||
| 1141 | P | 86.9 | Confident | 86.8 | Confident | 99 Ų | 99 | 47.1 Ų | 47.1 | 64% | 0.643 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -72.4 | -17.1 | -177.1 | 27.7 | -34.2 | 0 | 0 | 0 | 114.3 | ||
| 1142 | E | 85.8 | Confident | 87.7 | Confident | 147 Ų | 147 | 45.3 Ų | 45.3 | 69% | 0.687 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -83.2 | -41.4 | 179.6 | -67.9 | -161.8 | 169.7 | 0 | 0 | 113.1 | N1140 | N1140-E1142 VanDerWaalsContact C-N 3.3Å; N1140-E1142 PolarHBondContact O-N 2.94Å; N1140-E1142 PolarHBondContact OD1-N 3.21Å |
| 1143 | E | 89 | Confident | 88.2 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -133.9 | 70.1 | 178 | -65.6 | -168.9 | 175.7 | 0 | 0 | 110.3 | Y168 K1084 N1140 Y1145 L1146 | Y168-E1143 PolarHBondContact OH-OE2 3.32Å; K1084-E1143 WeakPolarHBondContact CD-OE1 3.44Å; K1084-E1143 WeakPolarHBondContact CE-OE1 3.49Å; K1084-E1143 IonicContact NZ-OE1 3.51Å; K1084-E1143 PolarHBondContact NZ-OE1 3.12Å; N1140-E1143 CarbonylContact O-C 3.56Å; N1140-E1143 PolarHBondContact OD1-N 2.92Å; E1143-Y1145 HydrophobicContact CB-CE1 4.4Å; E1143-Y1145 HydrophobicContact CB-CE2 4.09Å; E1143-Y1145 HydrophobicContact CG-CE2 4.47Å; E1143-Y1145 PolarHBondContact O-N 3.37Å; E1143-Y1145 VanDerWaalsContact O-N 3.1Å; E1143-L1146 HydrophobicContact CB-CD1 4.08Å; E1143-L1146 HydrophobicContact CB-CG 4.16Å; E1143-L1146 PolarHBondContact O-N 3.26Å; E1143-L1146 WeakPolarHBondContact OE2-CD1 3.46Å |
| 1144 | P | 88.8 | Confident | 88.3 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -65.3 | -20.7 | -169.8 | 25 | -35.3 | 0 | 0 | 0 | 114.1 | F1091 N1092 P1138 N1140 L1146 | F1091-P1144 HydrophobicContact CD1-CB 3.99Å; F1091-P1144 HydrophobicContact CD1-CG 3.44Å; F1091-P1144 VanDerWaalsContact CD1-CG 3.44Å; F1091-P1144 HydrophobicContact CE1-CB 3.56Å; F1091-P1144 HydrophobicContact CE1-CG 3.58Å; F1091-P1144 HydrophobicContact CG-CG 4.35Å; F1091-P1144 HydrophobicContact CZ-CB 4.29Å; N1092-P1144 VanDerWaalsContact OD1-CG 3.25Å; N1092-P1144 WeakPolarHBondContact OD1-CG 3.41Å; P1138-P1144 HydrophobicContact CB-CB 3.91Å; N1140-P1144 WeakPolarHBondContact O-CA 3.09Å; N1140-P1144 WeakPolarHBondContact O-CB 3.3Å; P1144-L1146 VanDerWaalsContact C-N 3.25Å; P1144-L1146 PolarHBondContact O-N 3.28Å |
| 1145 | Y | 90.6 | Very high | 87.8 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -74.7 | -5.1 | 175.6 | 50.1 | -100.5 | 0 | 0 | 0 | 114.7 | Y168 R1087 C1088 F1091 E1143 | Y168-Y1145 HydrophobicContact CE2-CE2 4.13Å; R1087-Y1145 HydrophobicContact CB-CE1 4.47Å; R1087-Y1145 HydrophobicContact CG-CD1 4.16Å; R1087-Y1145 HydrophobicContact CG-CE1 4.11Å; R1087-Y1145 HydrophobicContact CG-CE2 4.45Å; R1087-Y1145 HydrophobicContact CG-CG 4.35Å; C1088-Y1145 HydrophobicContact CB-CE1 3.86Å; F1091-Y1145 HydrophobicContact CB-CD1 4.28Å; F1091-Y1145 HydrophobicContact CG-CD1 4.42Å; E1143-Y1145 HydrophobicContact CB-CE1 4.4Å; E1143-Y1145 HydrophobicContact CB-CE2 4.09Å; E1143-Y1145 HydrophobicContact CG-CE2 4.47Å; E1143-Y1145 PolarHBondContact O-N 3.37Å; E1143-Y1145 VanDerWaalsContact O-N 3.1Å |
| 1146 | L | 89.4 | Confident | 86.9 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 40% | 0.403 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -94.2 | -25.6 | 176.4 | -67.9 | -171.3 | 0 | 0 | 0 | 113.8 | Y168 E1143 P1144 | Y168-L1146 HydrophobicContact CE1-CD2 4.49Å; E1143-L1146 HydrophobicContact CB-CD1 4.08Å; E1143-L1146 HydrophobicContact CB-CG 4.16Å; E1143-L1146 PolarHBondContact O-N 3.26Å; E1143-L1146 WeakPolarHBondContact OE2-CD1 3.46Å; P1144-L1146 VanDerWaalsContact C-N 3.25Å; P1144-L1146 PolarHBondContact O-N 3.28Å |
| 1147 | E | 88.8 | Confident | 85.9 | Confident | 83 Ų | 83 | 44.1 Ų | 44.1 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -116.9 | -156 | -174.2 | -66.6 | -176.3 | -148.8 | 0 | 0 | 111 | T152 D1139 N1140 | T152-E1147 PolarHBondContact OG1-O 3.29Å; D1139-E1147 HydrophobicContact CB-CB 3.97Å; N1140-E1147 HydrophobicContact CB-CB 4.15Å; N1140-E1147 VanDerWaalsContact CB-CD 3.48Å; N1140-E1147 HydrophobicContact CB-CG 4.07Å; N1140-E1147 PolarHBondContact ND2-OE1 3Å |
| 1148 | G | 88.3 | Confident | 85.2 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | trans | -97.1 | 154.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1139 | D1139-G1148 PolarHBondContact N-O 2.92Å; D1139-G1148 WeakPolarHBondContact OD2-CA 3.39Å; D1139-G1148 PolarHBondContact OD2-N 3.48Å | ||
| 1149 | I | 90.2 | Very high | 84.6 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.2 | 160.7 | -66.2 | 171 | 0 | 0 | 0 | 107.4 | P148 L151 T152 F155 F1091 F1095 L1136 | P148-I1149 VanDerWaalsContact CA-O 3.3Å; P148-I1149 WeakPolarHBondContact CA-O 3.26Å; P148-I1149 WeakPolarHBondContact CB-O 3.19Å; P148-I1149 PolarHBondContact O-N 3.41Å; P148-I1149 VanDerWaalsContact O-N 3.14Å; L151-I1149 HydrophobicContact CD2-CB 4.15Å; L151-I1149 HydrophobicContact CD2-CG2 3.86Å; L151-I1149 HydrophobicContact CG-CB 4.43Å; T152-I1149 PolarHBondContact OG1-N 2.87Å; F155-I1149 HydrophobicContact CB-CD1 4.18Å; F155-I1149 HydrophobicContact CD2-CD1 3.6Å; F155-I1149 HydrophobicContact CE2-CD1 4.13Å; F155-I1149 HydrophobicContact CG-CD1 3.88Å; F1091-I1149 HydrophobicContact CE1-CD1 3.96Å; F1091-I1149 HydrophobicContact CZ-CD1 3.55Å; F1091-I1149 HydrophobicContact CZ-CG1 4.44Å; F1095-I1149 HydrophobicContact CD2-CD1 3.63Å; F1095-I1149 HydrophobicContact CD2-CG1 4.39Å; F1095-I1149 HydrophobicContact CE2-CD1 3.77Å; F1095-I1149 HydrophobicContact CE2-CG1 4.06Å; F1095-I1149 HydrophobicContact CE2-CG2 3.81Å; L1136-I1149 HydrophobicContact CB-CG2 4.25Å; L1136-I1149 HydrophobicContact CD2-CG2 3.98Å |
| 1150 | M | 88.7 | Confident | 84.1 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 36% | 0.36 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.9 | 175.2 | -67.1 | -64 | -65.4 | 0 | 0 | 109.9 | P148 L1136 N1137 | P148-M1150 HydrophobicContact CB-SD 4Å; P148-M1150 HydrophobicContact CG-SD 3.34Å; P148-M1150 WeakPolarHBondContact CG-SD 3.36Å; L1136-M1150 WeakPolarHBondContact CA-O 3.41Å; N1137-M1150 PolarHBondContact N-O 3.33Å; N1137-M1150 PolarHBondContact O-N 2.86Å |
| 1151 | Y | 89.8 | Confident | 83.4 | Confident | 16 Ų | 16 | 59 Ų | 59 | 6% | 0.063 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.8 | 172.6 | -179.9 | -146.2 | 0 | 0 | 0 | 110.9 | I1102 A1134 L1136 C1153 L1163 A1174 L1178 | I1102-Y1151 HydrophobicContact CD1-CD2 4.02Å; I1102-Y1151 HydrophobicContact CD1-CE2 3.34Å; I1102-Y1151 HydrophobicContact CG1-CE2 4.31Å; A1134-Y1151 HydrophobicContact CB-CE2 4.29Å; L1136-Y1151 HydrophobicContact CD2-CD2 3.61Å; L1136-Y1151 HydrophobicContact CD2-CG 3.89Å; L1136-Y1151 HydrophobicContact CG-CD2 4.32Å; Y1151-C1153 WeakPolarHBondContact CE2-SG 3.33Å; Y1151-C1153 PolarHBondContact OH-SG 3.23Å; Y1151-L1163 HydrophobicContact CD1-CD2 3.93Å; Y1151-L1163 HydrophobicContact CE1-CD2 4.45Å; Y1151-A1174 HydrophobicContact CE1-CB 4.04Å; Y1151-A1174 WeakPolarHBondContact OH-CA 3.3Å; Y1151-A1174 PolarHBondContact OH-O 2.99Å; Y1151-L1178 HydrophobicContact CD1-CD2 4.14Å; Y1151-L1178 HydrophobicContact CE1-CB 4.13Å; Y1151-L1178 HydrophobicContact CE1-CD2 4.15Å |
| 1152 | N | 87.5 | Confident | 82.9 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.1 | -175.5 | -74 | -47.3 | 0 | 0 | 0 | 111.1 | A1134 Y1135 F1160 | A1134-N1152 WeakPolarHBondContact CA-O 3.46Å; Y1135-N1152 HydrophobicContact CD1-CB 4.48Å; Y1135-N1152 HydrophobicContact CD2-CB 4.09Å; Y1135-N1152 HydrophobicContact CE1-CB 4.02Å; Y1135-N1152 HydrophobicContact CE2-CB 3.58Å; Y1135-N1152 WeakPolarHBondContact CE2-ND2 3.45Å; Y1135-N1152 PolarHBondContact N-O 2.94Å; Y1135-N1152 PolarHBondContact O-N 3.3Å; Y1135-N1152 VanDerWaalsContact O-N 3.12Å; N1152-F1160 HydrophobicContact CB-CE2 3.89Å |
| 1153 | C | 84.4 | Confident | 82.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 141.6 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | Q1133 Y1151 L1163 L1166 A1174 | Q1133-C1153 CarbonylContact O-C 3.59Å; Q1133-C1153 WeakPolarHBondContact O-CA 3.2Å; Y1151-C1153 WeakPolarHBondContact CE2-SG 3.33Å; Y1151-C1153 PolarHBondContact OH-SG 3.23Å; C1153-L1163 HydrophobicContact CB-CD1 4.11Å; C1153-L1166 HydrophobicContact CB-CD1 4.14Å; C1153-A1174 HydrophobicContact CB-CB 4.48Å; C1153-A1174 VanDerWaalsContact SG-CB 3.58Å |
| 1154 | V | 84.2 | Confident | 82.5 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 12% | 0.121 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 110.7 | 171.3 | -177.7 | 0 | 0 | 0 | 0 | 107.2 | Y1106 A1132 Q1133 K1158 F1160 | Y1106-V1154 WeakPolarHBondContact CE1-O 3.39Å; A1132-V1154 VanDerWaalsContact CA-O 3.26Å; A1132-V1154 WeakPolarHBondContact CA-O 3.04Å; Q1133-V1154 HydrophobicContact CB-CB 4.27Å; Q1133-V1154 HydrophobicContact CB-CG2 4.42Å; Q1133-V1154 PolarHBondContact N-O 2.84Å; Q1133-V1154 VanDerWaalsContact N-O 3.08Å; Q1133-V1154 PolarHBondContact O-N 2.89Å; V1154-K1158 WeakPolarHBondContact CG1-O 3.46Å; V1154-F1160 HydrophobicContact CG2-CB 4.38Å; V1154-F1160 HydrophobicContact CG2-CD2 4.12Å |
| 1155 | A | 74.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | trans | -72.1 | 151.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1157 K1158 L1166 E1170 | A1155-G1157 PolarHBondContact O-N 3.23Å; A1155-K1158 HydrophobicContact CB-CB 4.32Å; A1155-K1158 HydrophobicContact CB-CD 4.11Å; A1155-K1158 HydrophobicContact CB-CG 4.49Å; A1155-K1158 PolarHBondContact O-N 3.33Å; A1155-L1166 HydrophobicContact CB-CD2 4.46Å; A1155-E1170 HydrophobicContact CB-CG 4.25Å; A1155-E1170 VanDerWaalsContact CB-OE1 3.29Å; A1155-E1170 WeakPolarHBondContact CB-OE1 3.36Å | ||
| 1156 | P | 70.8 | Confident | 81.6 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 26% | 0.26 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 126.8 | 176.8 | -30.7 | 35.7 | 0 | 0 | 0 | 114 | N1129 A1132 K1158 | N1129-P1156 HydrophobicContact CB-CB 3.52Å; N1129-P1156 HydrophobicContact CB-CG 3.74Å; N1129-P1156 WeakPolarHBondContact ND2-CB 3.47Å; A1132-P1156 HydrophobicContact CB-CG 4.12Å; P1156-K1158 PolarHBondContact O-N 2.82Å; P1156-K1158 VanDerWaalsContact O-N 3.12Å |
| 1157 | G | 68.8 | Low | 81.3 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 77% | 0.773 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 7.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1131 A1155 | S1131-G1157 PolarHBondContact OG-N 3.19Å; S1131-G1157 VanDerWaalsContact OG-N 3.12Å; A1155-G1157 PolarHBondContact O-N 3.23Å |
| 1158 | K | 72.8 | Confident | 80.9 | Confident | 91 Ų | 91 | 58.1 Ų | 58.1 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | trans | -109.8 | 152.1 | 177.4 | -67.2 | -174.2 | -178.7 | 170.7 | 0 | 111.3 | V1154 A1155 P1156 E1170 | V1154-K1158 WeakPolarHBondContact CG1-O 3.46Å; A1155-K1158 HydrophobicContact CB-CB 4.32Å; A1155-K1158 HydrophobicContact CB-CD 4.11Å; A1155-K1158 HydrophobicContact CB-CG 4.49Å; A1155-K1158 PolarHBondContact O-N 3.33Å; P1156-K1158 PolarHBondContact O-N 2.82Å; P1156-K1158 VanDerWaalsContact O-N 3.12Å; K1158-E1170 WeakPolarHBondContact CE-OE1 3.37Å; K1158-E1170 VanDerWaalsContact NZ-CD 3.34Å; K1158-E1170 IonicContact NZ-OE1 2.75Å; K1158-E1170 PolarHBondContact NZ-OE1 2.67Å; K1158-E1170 IonicContact NZ-OE2 3.87Å; K1158-E1170 PolarHBondContact NZ-OE2 3.18Å | ||
| 1159 | R | 78.7 | Confident | 80.5 | Confident | 225 Ų | 225 | 58.3 Ų | 58.3 | 85% | 0.849 | 31% | 0.312 | S | S | * | . | trans | -71.3 | 156.8 | 169.5 | -63.6 | -176.1 | -178.8 | -172.7 | -0.6 | 110.2 | R1161 | R1159-R1161 PolarHBondContact O-N 3.38Š| ||
| 1160 | F | 79.9 | Confident | 80 | Confident | 106 Ų | 106 | 59.7 Ų | 59.7 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | trans | -48.7 | 126.4 | 170.2 | 175.9 | -95.9 | 0 | 0 | 0 | 111.2 | Y1135 N1152 V1154 | Y1135-F1160 WeakPolarHBondContact OH-CD2 3.39Å; Y1135-F1160 WeakPolarHBondContact OH-CE2 3.28Å; N1152-F1160 HydrophobicContact CB-CE2 3.89Å; V1154-F1160 HydrophobicContact CG2-CB 4.38Å; V1154-F1160 HydrophobicContact CG2-CD2 4.12Å | ||
| 1161 | R | 72.4 | Confident | 79.8 | Confident | 132 Ų | 132 | 57.7 Ų | 57.7 | 50% | 0.498 | 31% | 0.308 | S | S | . | . | trans | -138.6 | 148.7 | 174.2 | -70.3 | -174 | -176 | -177.2 | 1.4 | 109 | R1159 | R1159-R1161 PolarHBondContact O-N 3.38Š| ||
| 1162 | P | 78 | Confident | 79.5 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 48% | 0.481 | 31% | 0.306 | S | S | . | . | trans | -54.4 | 144 | 169.9 | -23 | 33.1 | 0 | 0 | 0 | 110.9 | E1164 S1165 | P1162-E1164 PolarHBondContact O-N 3.06Å; P1162-E1164 VanDerWaalsContact O-N 3.11Å; P1162-S1165 WeakPolarHBondContact O-CA 3.41Å; P1162-S1165 WeakPolarHBondContact O-CB 3.4Å; P1162-S1165 PolarHBondContact O-N 3.45Å | ||
| 1163 | L | 81.9 | Confident | 79.3 | Confident | 15 Ų | 15 | 56.8 Ų | 56.8 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -56.1 | -32.3 | -175.7 | -161 | 77.8 | 0 | 0 | 0 | 112.9 | A144 Y1151 C1153 S1165 L1166 K1171 A1174 | A144-L1163 VanDerWaalsContact C-CD2 3.45Å; A144-L1163 HydrophobicContact CB-CD2 3.81Å; A144-L1163 WeakPolarHBondContact O-CD2 3.4Å; Y1151-L1163 HydrophobicContact CD1-CD2 3.93Å; Y1151-L1163 HydrophobicContact CE1-CD2 4.45Å; C1153-L1163 HydrophobicContact CB-CD1 4.11Å; L1163-S1165 PolarHBondContact O-N 2.59Å; L1163-L1166 HydrophobicContact CD1-CD1 3.69Å; L1163-L1166 HydrophobicContact CG-CD1 4.45Å; L1163-L1166 WeakPolarHBondContact O-CB 3.36Å; L1163-L1166 PolarHBondContact O-N 2.87Å; L1163-K1171 WeakPolarHBondContact O-CE 3.19Å; L1163-A1174 HydrophobicContact CD1-CB 4.05Å |
| 1164 | E | 82.5 | Confident | 79.3 | Confident | 152 Ų | 152 | 56.8 Ų | 56.8 | 71% | 0.71 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -59 | -30.2 | 174.3 | -63.8 | 179.5 | 179.4 | 0 | 0 | 113.3 | L145 P1162 K1171 | L145-E1164 HydrophobicContact CD2-CG 4.21Å; P1162-E1164 PolarHBondContact O-N 3.06Å; P1162-E1164 VanDerWaalsContact O-N 3.11Å; E1164-K1171 WeakPolarHBondContact O-CE 3.09Å; E1164-K1171 PolarHBondContact O-NZ 3.07Å |
| 1165 | S | 82.5 | Confident | 79.4 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -90.6 | -0.2 | -177.5 | -59 | 0 | 0 | 0 | 0 | 114.2 | P1162 L1163 | P1162-S1165 WeakPolarHBondContact O-CA 3.41Å; P1162-S1165 WeakPolarHBondContact O-CB 3.4Å; P1162-S1165 PolarHBondContact O-N 3.45Å; L1163-S1165 PolarHBondContact O-N 2.59Å |
| 1166 | L | 79.8 | Confident | 79.9 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -78.7 | 159.1 | 174.9 | -65.6 | 178.7 | 0 | 0 | 0 | 111.9 | C1153 A1155 L1163 E1170 K1171 | C1153-L1166 HydrophobicContact CB-CD1 4.14Å; A1155-L1166 HydrophobicContact CB-CD2 4.46Å; L1163-L1166 HydrophobicContact CD1-CD1 3.69Å; L1163-L1166 HydrophobicContact CG-CD1 4.45Å; L1163-L1166 WeakPolarHBondContact O-CB 3.36Å; L1163-L1166 PolarHBondContact O-N 2.87Å; L1166-E1170 HydrophobicContact CB-CB 4.02Å; L1166-K1171 HydrophobicContact CB-CG 4.1Å; L1166-K1171 WeakPolarHBondContact O-CE 2.99Å; L1166-K1171 PolarHBondContact O-NZ 3.49Å |
| 1167 | S | 82.3 | Confident | 80.6 | Confident | 69 Ų | 69 | 54 Ų | 54 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | trans | -64.2 | 154.1 | 173.9 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | G1169 E1170 K1171 | S1167-G1169 VanDerWaalsContact C-N 3.27Å; S1167-G1169 PolarHBondContact O-N 3.32Å; S1167-E1170 WeakPolarHBondContact CB-OE2 3.3Å; S1167-E1170 PolarHBondContact N-OE2 3.36Å; S1167-E1170 WeakPolarHBondContact O-CB 3.48Å; S1167-E1170 PolarHBondContact O-N 2.75Å; S1167-K1171 WeakPolarHBondContact O-CG 3.26Å; S1167-K1171 PolarHBondContact O-N 3.08Å | ||
| 1168 | G | 80 | Confident | 81.5 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -55.4 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | K1171 T1172 | G1168-K1171 PolarHBondContact O-N 3.29Å; G1168-T1172 WeakPolarHBondContact O-CB 3.26Å; G1168-T1172 PolarHBondContact O-N 3.16Å; G1168-T1172 PolarHBondContact O-OG1 3.48Å |
| 1169 | G | 79.7 | Confident | 82.1 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | S1167 T1172 L1173 A1199 | S1167-G1169 VanDerWaalsContact C-N 3.27Å; S1167-G1169 PolarHBondContact O-N 3.32Å; G1169-T1172 WeakPolarHBondContact O-CB 3.32Å; G1169-T1172 PolarHBondContact O-N 3.08Å; G1169-L1173 WeakPolarHBondContact O-CG 3.47Å; G1169-L1173 PolarHBondContact O-N 3.44Å; G1169-A1199 WeakPolarHBondContact CA-O 3.3Å; G1169-A1199 PolarHBondContact N-O 2.95Å |
| 1170 | E | 80.7 | Confident | 82.4 | Confident | 29 Ų | 29 | 36 Ų | 36 | 14% | 0.136 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -39 | 177.8 | -68 | 169.7 | 158.4 | 0 | 0 | 112.1 | A1155 K1158 L1166 S1167 T1172 L1173 A1174 | A1155-E1170 HydrophobicContact CB-CG 4.25Å; A1155-E1170 VanDerWaalsContact CB-OE1 3.29Å; A1155-E1170 WeakPolarHBondContact CB-OE1 3.36Å; K1158-E1170 WeakPolarHBondContact CE-OE1 3.37Å; K1158-E1170 VanDerWaalsContact NZ-CD 3.34Å; K1158-E1170 IonicContact NZ-OE1 2.75Å; K1158-E1170 PolarHBondContact NZ-OE1 2.67Å; K1158-E1170 IonicContact NZ-OE2 3.87Å; K1158-E1170 PolarHBondContact NZ-OE2 3.18Å; L1166-E1170 HydrophobicContact CB-CB 4.02Å; S1167-E1170 WeakPolarHBondContact CB-OE2 3.3Å; S1167-E1170 PolarHBondContact N-OE2 3.36Å; S1167-E1170 WeakPolarHBondContact O-CB 3.48Å; S1167-E1170 PolarHBondContact O-N 2.75Å; E1170-T1172 VanDerWaalsContact C-N 3.28Å; E1170-T1172 PolarHBondContact O-N 2.88Å; E1170-L1173 PolarHBondContact O-N 2.74Å; E1170-A1174 WeakPolarHBondContact O-CB 3.4Å; E1170-A1174 PolarHBondContact O-N 3.37Å |
| 1171 | K | 84 | Confident | 82.7 | Confident | 32 Ų | 32 | 30.9 Ų | 30.9 | 14% | 0.139 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | 172.3 | -71.8 | 170.9 | 176.6 | 166.6 | 0 | 111.2 | L145 L1163 E1164 L1166 S1167 G1168 A1174 A1175 | L145-K1171 HydrophobicContact CD1-CD 4.49Å; L145-K1171 HydrophobicContact CD2-CD 4.36Å; L1163-K1171 WeakPolarHBondContact O-CE 3.19Å; E1164-K1171 WeakPolarHBondContact O-CE 3.09Å; E1164-K1171 PolarHBondContact O-NZ 3.07Å; L1166-K1171 HydrophobicContact CB-CG 4.1Å; L1166-K1171 WeakPolarHBondContact O-CE 2.99Å; L1166-K1171 PolarHBondContact O-NZ 3.49Å; S1167-K1171 WeakPolarHBondContact O-CG 3.26Å; S1167-K1171 PolarHBondContact O-N 3.08Å; G1168-K1171 PolarHBondContact O-N 3.29Å; K1171-A1174 PolarHBondContact O-N 3.36Å; K1171-A1175 WeakPolarHBondContact O-CB 3.37Å; K1171-A1175 PolarHBondContact O-N 2.89Å |
| 1172 | T | 83.8 | Confident | 83.4 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 176.5 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | V140 G1168 G1169 E1170 A1175 L1176 V1196 L1200 | V140-T1172 HydrophobicContact CG1-CG2 3.88Å; G1168-T1172 WeakPolarHBondContact O-CB 3.26Å; G1168-T1172 PolarHBondContact O-N 3.16Å; G1168-T1172 PolarHBondContact O-OG1 3.48Å; G1169-T1172 WeakPolarHBondContact O-CB 3.32Å; G1169-T1172 PolarHBondContact O-N 3.08Å; E1170-T1172 VanDerWaalsContact C-N 3.28Å; E1170-T1172 PolarHBondContact O-N 2.88Å; T1172-A1175 PolarHBondContact O-N 2.92Å; T1172-L1176 HydrophobicContact CG2-CD1 4.16Å; T1172-L1176 WeakPolarHBondContact O-CB 3.45Å; T1172-L1176 WeakPolarHBondContact O-CG 3.45Å; T1172-L1176 PolarHBondContact O-N 2.89Å; T1172-V1196 WeakPolarHBondContact CG2-O 3.31Å; T1172-L1200 HydrophobicContact CG2-CD1 4.07Å; T1172-L1200 HydrophobicContact CG2-CD2 4.05Å; T1172-L1200 HydrophobicContact CG2-CG 3.97Å |
| 1173 | L | 82.9 | Confident | 83.6 | Confident | 13 Ų | 13 | 22.3 Ų | 22.3 | 7% | 0.068 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 173.1 | -65.3 | 179.3 | 0 | 0 | 0 | 112 | M1126 G1169 E1170 A1175 L1176 A1177 L1200 V1208 | M1126-L1173 HydrophobicContact CB-CD2 4.2Å; M1126-L1173 HydrophobicContact CE-CD2 3.34Å; M1126-L1173 HydrophobicContact SD-CD2 4.41Å; G1169-L1173 WeakPolarHBondContact O-CG 3.47Å; G1169-L1173 PolarHBondContact O-N 3.44Å; E1170-L1173 PolarHBondContact O-N 2.74Å; L1173-A1175 PolarHBondContact O-N 3.31Å; L1173-L1176 PolarHBondContact O-N 2.81Å; L1173-A1177 WeakPolarHBondContact O-CB 3.5Å; L1173-A1177 PolarHBondContact O-N 2.83Å; L1173-L1200 HydrophobicContact CD2-CD2 3.95Å; L1173-L1200 HydrophobicContact CG-CD2 4.09Å; L1173-V1208 HydrophobicContact CD2-CG2 3.79Å |
| 1174 | A | 85.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1151 C1153 L1163 E1170 K1171 L1178 | Y1151-A1174 HydrophobicContact CE1-CB 4.04Å; Y1151-A1174 WeakPolarHBondContact OH-CA 3.3Å; Y1151-A1174 PolarHBondContact OH-O 2.99Å; C1153-A1174 HydrophobicContact CB-CB 4.48Å; C1153-A1174 VanDerWaalsContact SG-CB 3.58Å; L1163-A1174 HydrophobicContact CD1-CB 4.05Å; E1170-A1174 WeakPolarHBondContact O-CB 3.4Å; E1170-A1174 PolarHBondContact O-N 3.37Å; K1171-A1174 PolarHBondContact O-N 3.36Å; A1174-L1178 WeakPolarHBondContact O-CB 2.92Å; A1174-L1178 PolarHBondContact O-N 3.36Å; A1174-L1178 VanDerWaalsContact O-N 3.08Å |
| 1175 | A | 86.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | V140 V143 A144 K1171 T1172 L1173 L1178 L1179 | V140-A1175 HydrophobicContact CG1-CB 3.82Å; V140-A1175 WeakPolarHBondContact O-CB 3.38Å; V143-A1175 HydrophobicContact CB-CB 4.3Å; A144-A1175 HydrophobicContact CB-CB 3.96Å; K1171-A1175 WeakPolarHBondContact O-CB 3.37Å; K1171-A1175 PolarHBondContact O-N 2.89Å; T1172-A1175 PolarHBondContact O-N 2.92Å; L1173-A1175 PolarHBondContact O-N 3.31Å; A1175-L1178 PolarHBondContact O-N 3.35Å; A1175-L1179 WeakPolarHBondContact O-CB 3.4Å; A1175-L1179 WeakPolarHBondContact O-CG 3.31Å; A1175-L1179 PolarHBondContact O-N 3.16Å |
| 1176 | L | 84.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.9 | -73.1 | 170.6 | 0 | 0 | 0 | 110.8 | V140 M1126 T1172 L1173 L1178 L1179 F1180 L1193 V1208 | V140-L1176 HydrophobicContact CG1-CG 4.46Å; M1126-L1176 HydrophobicContact CE-CB 3.92Å; M1126-L1176 HydrophobicContact CE-CD1 3.55Å; M1126-L1176 HydrophobicContact CE-CG 4.38Å; M1126-L1176 HydrophobicContact SD-CB 4.15Å; T1172-L1176 HydrophobicContact CG2-CD1 4.16Å; T1172-L1176 WeakPolarHBondContact O-CB 3.45Å; T1172-L1176 WeakPolarHBondContact O-CG 3.45Å; T1172-L1176 PolarHBondContact O-N 2.89Å; L1173-L1176 PolarHBondContact O-N 2.81Å; L1176-L1178 VanDerWaalsContact C-N 3.32Å; L1176-L1178 PolarHBondContact O-N 3.03Å; L1176-L1179 PolarHBondContact O-N 2.9Å; L1176-L1179 VanDerWaalsContact O-N 3.14Å; L1176-F1180 HydrophobicContact CB-CD2 4.38Å; L1176-F1180 HydrophobicContact CB-CE2 4.3Å; L1176-F1180 HydrophobicContact CD2-CE2 4.3Å; L1176-F1180 WeakPolarHBondContact O-CD2 3.39Å; L1176-F1180 PolarHBondContact O-N 3.36Å; L1176-L1193 HydrophobicContact CD2-CD2 4.27Å; L1176-V1208 HydrophobicContact CD1-CG1 4.14Å |
| 1177 | A | 85.4 | Confident | 83.5 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.6 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I1105 Y1106 L1173 F1180 A1181 | I1105-A1177 HydrophobicContact CG2-CB 4.2Å; Y1106-A1177 HydrophobicContact CD2-CB 3.81Å; L1173-A1177 WeakPolarHBondContact O-CB 3.5Å; L1173-A1177 PolarHBondContact O-N 2.83Å; A1177-F1180 PolarHBondContact O-N 3.01Å; A1177-A1181 VanDerWaalsContact O-CB 3.3Å; A1177-A1181 WeakPolarHBondContact O-CB 3.42Å; A1177-A1181 PolarHBondContact O-N 3.43Å |
| 1178 | L | 87.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.2 | 178 | 61.7 | 0 | 0 | 0 | 112.3 | V143 L151 V1098 I1102 L1136 Y1151 A1174 A1175 L1176 A1181 I1182 | V143-L1178 HydrophobicContact CG1-CD2 4.14Å; L151-L1178 HydrophobicContact CD1-CD2 3.9Å; V1098-L1178 HydrophobicContact CG1-CD1 4.42Å; I1102-L1178 HydrophobicContact CD1-CB 4.12Å; I1102-L1178 HydrophobicContact CD1-CD1 3.72Å; L1136-L1178 HydrophobicContact CD1-CD1 4.33Å; Y1151-L1178 HydrophobicContact CD1-CD2 4.14Å; Y1151-L1178 HydrophobicContact CE1-CB 4.13Å; Y1151-L1178 HydrophobicContact CE1-CD2 4.15Å; A1174-L1178 WeakPolarHBondContact O-CB 2.92Å; A1174-L1178 PolarHBondContact O-N 3.36Å; A1174-L1178 VanDerWaalsContact O-N 3.08Å; A1175-L1178 PolarHBondContact O-N 3.35Å; L1176-L1178 VanDerWaalsContact C-N 3.32Å; L1176-L1178 PolarHBondContact O-N 3.03Å; L1178-A1181 PolarHBondContact O-N 3.39Å; L1178-I1182 HydrophobicContact CD1-CD1 4.18Å; L1178-I1182 HydrophobicContact CD1-CG1 4.4Å; L1178-I1182 HydrophobicContact CG-CD1 4.08Å; L1178-I1182 VanDerWaalsContact O-CG1 3.31Å; L1178-I1182 WeakPolarHBondContact O-CG1 3.48Å; L1178-I1182 PolarHBondContact O-N 2.77Å |
| 1179 | L | 86 | Confident | 83.7 | Confident | 7 Ų | 7 | 15.3 Ų | 15.3 | 4% | 0.037 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 177.9 | -76.6 | 172.6 | 0 | 0 | 0 | 112.3 | V135 V143 A1175 L1176 I1182 R1183 F1191 | V135-L1179 HydrophobicContact CG2-CD1 3.53Å; V143-L1179 HydrophobicContact CG1-CD2 4.32Å; V143-L1179 HydrophobicContact CG1-CG 4.35Å; A1175-L1179 WeakPolarHBondContact O-CB 3.4Å; A1175-L1179 WeakPolarHBondContact O-CG 3.31Å; A1175-L1179 PolarHBondContact O-N 3.16Å; L1176-L1179 PolarHBondContact O-N 2.9Å; L1176-L1179 VanDerWaalsContact O-N 3.14Å; L1179-I1182 PolarHBondContact O-N 3.34Å; L1179-R1183 PolarHBondContact O-N 3.14Å; L1179-R1183 VanDerWaalsContact O-N 3.11Å; L1179-F1191 HydrophobicContact CB-CZ 3.97Å; L1179-F1191 HydrophobicContact CD1-CE1 4.42Å; L1179-F1191 HydrophobicContact CD1-CZ 4.42Å; L1179-F1191 HydrophobicContact CD2-CZ 4.4Å; L1179-F1191 HydrophobicContact CG-CZ 4.5Å |
| 1180 | F | 84.4 | Confident | 84.1 | Confident | 6 Ų | 6 | 15 Ų | 15 | 3% | 0.026 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69.7 | -33.1 | 174.5 | -72.3 | -67.1 | 0 | 0 | 0 | 112.1 | I1105 L1176 A1177 R1183 S1184 F1211 I1212 L1220 I1222 | I1105-F1180 HydrophobicContact CD1-CB 3.94Å; I1105-F1180 HydrophobicContact CG2-CB 4.24Å; L1176-F1180 HydrophobicContact CB-CD2 4.38Å; L1176-F1180 HydrophobicContact CB-CE2 4.3Å; L1176-F1180 HydrophobicContact CD2-CE2 4.3Å; L1176-F1180 WeakPolarHBondContact O-CD2 3.39Å; L1176-F1180 PolarHBondContact O-N 3.36Å; A1177-F1180 PolarHBondContact O-N 3.01Å; F1180-R1183 WeakPolarHBondContact O-CB 3.36Å; F1180-R1183 PolarHBondContact O-N 3.12Å; F1180-S1184 PolarHBondContact O-N 3.07Å; F1180-F1211 HydrophobicContact CD1-CE1 4.05Å; F1180-F1211 HydrophobicContact CD2-CD1 4.4Å; F1180-F1211 AromaticContact CD2-CE1 3.51Å; F1180-F1211 HydrophobicContact CD2-CE1 3.51Å; F1180-F1211 HydrophobicContact CD2-CZ 4.26Å; F1180-F1211 HydrophobicContact CE1-CE1 4.09Å; F1180-F1211 HydrophobicContact CE2-CD1 4.09Å; F1180-F1211 AromaticContact CE2-CE1 3.58Å; F1180-F1211 HydrophobicContact CE2-CE1 3.58Å; F1180-F1211 AromaticContact CG-CE1 3.78Å; F1180-F1211 HydrophobicContact CG-CE1 3.78Å; F1180-F1211 HydrophobicContact CG-CZ 4.22Å; F1180-F1211 HydrophobicContact CZ-CD1 4.35Å; F1180-F1211 AromaticContact CZ-CE1 3.87Å; F1180-F1211 HydrophobicContact CZ-CE1 3.87Å; F1180-I1212 HydrophobicContact CZ-CG1 4.27Å; F1180-L1220 HydrophobicContact CE1-CD2 3.93Å; F1180-I1222 HydrophobicContact CE1-CD1 4.41Å |
| 1181 | A | 87.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.8 | -42.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1098 I1102 I1105 A1177 L1178 R1183 S1184 | V1098-A1181 HydrophobicContact CG1-CB 3.82Å; I1102-A1181 HydrophobicContact CB-CB 3.72Å; I1102-A1181 HydrophobicContact CG1-CB 4.11Å; I1105-A1181 HydrophobicContact CD1-CB 4.03Å; A1177-A1181 VanDerWaalsContact O-CB 3.3Å; A1177-A1181 WeakPolarHBondContact O-CB 3.42Å; A1177-A1181 PolarHBondContact O-N 3.43Å; L1178-A1181 PolarHBondContact O-N 3.39Å; A1181-R1183 VanDerWaalsContact C-N 3.26Å; A1181-R1183 PolarHBondContact O-N 2.92Å; A1181-S1184 VanDerWaalsContact O-CB 3.28Å; A1181-S1184 WeakPolarHBondContact O-CB 3.43Å; A1181-S1184 PolarHBondContact O-N 3.12Å; A1181-S1184 VanDerWaalsContact O-N 3.07Å; A1181-S1184 PolarHBondContact O-OG 2.85Å |
| 1182 | I | 86.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.7 | -36.4 | 174.5 | -74.1 | 165.4 | 0 | 0 | 0 | 111.9 | N132 L154 I158 V1098 L1178 L1179 S1184 F1185 N1186 | N132-I1182 HydrophobicContact CB-CG2 3.78Å; N132-I1182 WeakPolarHBondContact ND2-CG2 3.47Å; L154-I1182 HydrophobicContact CD2-CD1 3.94Å; I158-I1182 HydrophobicContact CD1-CB 4.43Å; I158-I1182 HydrophobicContact CD1-CD1 3.87Å; I158-I1182 HydrophobicContact CD1-CG1 4.03Å; I158-I1182 HydrophobicContact CD1-CG2 3.54Å; I158-I1182 HydrophobicContact CG1-CG2 4.32Å; I158-I1182 HydrophobicContact CG2-CG2 4.48Å; V1098-I1182 HydrophobicContact CG1-CG1 4.25Å; L1178-I1182 HydrophobicContact CD1-CD1 4.18Å; L1178-I1182 HydrophobicContact CD1-CG1 4.4Å; L1178-I1182 HydrophobicContact CG-CD1 4.08Å; L1178-I1182 VanDerWaalsContact O-CG1 3.31Å; L1178-I1182 WeakPolarHBondContact O-CG1 3.48Å; L1178-I1182 PolarHBondContact O-N 2.77Å; L1179-I1182 PolarHBondContact O-N 3.34Å; I1182-S1184 PolarHBondContact O-N 3.34Å; I1182-F1185 PolarHBondContact O-N 3.41Å; I1182-F1185 VanDerWaalsContact O-N 3.14Å; I1182-N1186 PolarHBondContact O-N 2.97Å; I1182-N1186 VanDerWaalsContact O-N 3.14Å |
| 1183 | R | 82.3 | Confident | 84.9 | Confident | 25 Ų | 25 | 12 Ų | 12 | 9% | 0.094 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.3 | -32.3 | 175.3 | 171.7 | -173.8 | -174.7 | 71.6 | 8.2 | 112.3 | L1179 F1180 A1181 F1185 N1186 S1187 A1188 N1219 L1220 | L1179-R1183 PolarHBondContact O-N 3.14Å; L1179-R1183 VanDerWaalsContact O-N 3.11Å; F1180-R1183 WeakPolarHBondContact O-CB 3.36Å; F1180-R1183 PolarHBondContact O-N 3.12Å; A1181-R1183 VanDerWaalsContact C-N 3.26Å; A1181-R1183 PolarHBondContact O-N 2.92Å; R1183-F1185 PolarHBondContact O-N 2.89Å; R1183-N1186 WeakPolarHBondContact CA-O 3.42Å; R1183-N1186 CarbonylContact O-C 3.55Å; R1183-N1186 PolarHBondContact O-N 2.88Å; R1183-N1186 VanDerWaalsContact O-O 3.13Å; R1183-S1187 PolarHBondContact O-N 3.46Å; R1183-A1188 VanDerWaalsContact CZ-O 3.27Å; R1183-A1188 PolarHBondContact NH1-O 2.9Å; R1183-A1188 PolarHBondContact NH2-O 3Å; R1183-N1219 PolarHBondContact NH2-O 3.45Å; R1183-L1220 VanDerWaalsContact NH2-CB 3.25Å; R1183-L1220 VanDerWaalsContact NH2-CD1 3.29Å |
| 1184 | S | 81.5 | Confident | 85.2 | Confident | 53 Ų | 53 | 11.5 Ų | 11.5 | 37% | 0.371 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -59.7 | -29.5 | 178.5 | 74.9 | 0 | 0 | 0 | 0 | 112.9 | F1180 A1181 I1182 | F1180-S1184 PolarHBondContact O-N 3.07Å; A1181-S1184 VanDerWaalsContact O-CB 3.28Å; A1181-S1184 WeakPolarHBondContact O-CB 3.43Å; A1181-S1184 PolarHBondContact O-N 3.12Å; A1181-S1184 VanDerWaalsContact O-N 3.07Å; A1181-S1184 PolarHBondContact O-OG 2.85Å; I1182-S1184 PolarHBondContact O-N 3.34Å |
| 1185 | F | 83.7 | Confident | 85.3 | Confident | 62 Ų | 62 | 13 Ų | 13 | 27% | 0.272 | 7% | 0.074 | S | C | . | . | H | α-helix | trans | -85.9 | -46.6 | 174.2 | -178.4 | -98.7 | 0 | 0 | 0 | 112.1 | I158 R1093 C1094 L1097 V1098 I1182 R1183 | I158-F1185 HydrophobicContact CG2-CD1 3.58Å; I158-F1185 HydrophobicContact CG2-CE1 4Å; R1093-F1185 HydrophobicContact CG-CE2 4.22Å; C1094-F1185 HydrophobicContact CB-CD1 4.33Å; C1094-F1185 HydrophobicContact CB-CD2 4.06Å; C1094-F1185 HydrophobicContact CB-CE1 4.15Å; C1094-F1185 HydrophobicContact CB-CE2 3.88Å; C1094-F1185 HydrophobicContact CB-CG 4.27Å; C1094-F1185 HydrophobicContact CB-CZ 3.92Å; L1097-F1185 HydrophobicContact CD1-CD2 3.82Å; L1097-F1185 HydrophobicContact CD1-CE2 4.39Å; V1098-F1185 HydrophobicContact CG2-CB 4.29Å; I1182-F1185 PolarHBondContact O-N 3.41Å; I1182-F1185 VanDerWaalsContact O-N 3.14Å; R1183-F1185 PolarHBondContact O-N 2.89Å |
| 1186 | N | 78.9 | Confident | 85.2 | Confident | 5 Ų | 5 | 13.1 Ų | 13.1 | 3% | 0.027 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -116 | 98 | 177.9 | -177.7 | 35.3 | 0 | 0 | 0 | 111.6 | N125 F127 I1182 R1183 A1188 | N125-N1186 WeakPolarHBondContact CB-OD1 3.47Å; N125-N1186 PolarHBondContact O-ND2 3.16Å; N125-N1186 VanDerWaalsContact O-ND2 3.16Å; N125-N1186 PolarHBondContact O-OD1 2.6Å; F127-N1186 HydrophobicContact CD2-CB 4.26Å; F127-N1186 WeakPolarHBondContact CD2-ND2 3.46Å; F127-N1186 HydrophobicContact CE2-CB 4.12Å; F127-N1186 WeakPolarHBondContact CE2-ND2 3.39Å; F127-N1186 WeakPolarHBondContact CE2-OD1 3.46Å; I1182-N1186 PolarHBondContact O-N 2.97Å; I1182-N1186 VanDerWaalsContact O-N 3.14Å; R1183-N1186 WeakPolarHBondContact CA-O 3.42Å; R1183-N1186 CarbonylContact O-C 3.55Å; R1183-N1186 PolarHBondContact O-N 2.88Å; R1183-N1186 VanDerWaalsContact O-O 3.13Å; N1186-A1188 PolarHBondContact O-N 2.89Å |
| 1187 | S | 79.6 | Confident | 85.2 | Confident | 68 Ų | 68 | 13.3 Ų | 13.3 | 48% | 0.476 | 8% | 0.075 | S | C | . | . | trans | -71.3 | 70.8 | -179 | -52.9 | 0 | 0 | 0 | 0 | 112.5 | R1183 | R1183-S1187 PolarHBondContact O-N 3.46Š| ||
| 1188 | A | 82.1 | Confident | 85 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | trans | -56.8 | 136.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F133 R1183 N1186 F1190 | F133-A1188 HydrophobicContact CB-CB 3.93Å; F133-A1188 HydrophobicContact CD1-CB 4.47Å; F133-A1188 HydrophobicContact CG-CB 4.41Å; R1183-A1188 VanDerWaalsContact CZ-O 3.27Å; R1183-A1188 PolarHBondContact NH1-O 2.9Å; R1183-A1188 PolarHBondContact NH2-O 3Å; N1186-A1188 PolarHBondContact O-N 2.89Å; A1188-F1190 VanDerWaalsContact C-N 3.28Å; A1188-F1190 PolarHBondContact O-N 2.87Å | ||
| 1189 | P | 84.7 | Confident | 84.6 | Confident | 8 Ų | 8 | 18.9 Ų | 18.9 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -67.5 | -30 | -173.1 | 22.4 | -31.5 | 0 | 0 | 0 | 113 | G2 Y84 I124 I126 Q1221 | G2-P1189 WeakPolarHBondContact O-CB 3.42Å; Y84-P1189 HydrophobicContact CE2-CB 3.7Å; Y84-P1189 HydrophobicContact CE2-CG 3.86Å; I124-P1189 VanDerWaalsContact O-CD 3.27Å; I124-P1189 WeakPolarHBondContact O-CD 3.08Å; I126-P1189 HydrophobicContact CD1-CG 3.94Å; I126-P1189 HydrophobicContact CG1-CG 3.9Å; P1189-Q1221 PolarHBondContact O-N 3.08Å |
| 1190 | F | 88.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 160.4 | 178.3 | 59.8 | -93.8 | 0 | 0 | 0 | 111.8 | L4 I45 L49 M82 I126 A1188 V1192 Q1221 | L4-F1190 HydrophobicContact CB-CD1 4.11Å; L4-F1190 HydrophobicContact CB-CE1 4.48Å; L4-F1190 HydrophobicContact CB-CG 4.45Å; I45-F1190 HydrophobicContact CG2-CE2 4.33Å; L49-F1190 HydrophobicContact CD1-CE2 4.05Å; L49-F1190 HydrophobicContact CD1-CZ 3.9Å; L49-F1190 HydrophobicContact CD2-CZ 4.22Å; M82-F1190 HydrophobicContact SD-CE1 4.39Å; M82-F1190 HydrophobicContact SD-CZ 4.16Å; I126-F1190 HydrophobicContact CD1-CE1 3.58Å; I126-F1190 HydrophobicContact CD1-CZ 3.81Å; A1188-F1190 VanDerWaalsContact C-N 3.28Å; A1188-F1190 PolarHBondContact O-N 2.87Å; F1190-V1192 HydrophobicContact CD2-CG2 4.01Å; F1190-V1192 HydrophobicContact CE2-CG2 4.28Å; F1190-Q1221 CarbonylContact C-O 3.53Å; F1190-Q1221 WeakPolarHBondContact CA-O 3.46Å; F1190-Q1221 HydrophobicContact CB-CB 3.89Å; F1190-Q1221 HydrophobicContact CB-CG 4.32Å; F1190-Q1221 WeakPolarHBondContact CB-O 3.44Å |
| 1191 | F | 88.5 | Confident | 84.4 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.1 | 179.4 | -137.2 | -95.4 | 0 | 0 | 0 | 109.6 | N132 F133 V135 L1179 L1193 L1220 Q1221 I1223 | N132-F1191 WeakPolarHBondContact O-CE2 3.33Å; N132-F1191 WeakPolarHBondContact O-CZ 3.09Å; F133-F1191 HydrophobicContact CB-CD2 4.05Å; F133-F1191 HydrophobicContact CB-CE2 4.15Å; V135-F1191 HydrophobicContact CG2-CE1 3.94Å; L1179-F1191 HydrophobicContact CB-CZ 3.97Å; L1179-F1191 HydrophobicContact CD1-CE1 4.42Å; L1179-F1191 HydrophobicContact CD1-CZ 4.42Å; L1179-F1191 HydrophobicContact CD2-CZ 4.4Å; L1179-F1191 HydrophobicContact CG-CZ 4.5Å; F1191-L1193 HydrophobicContact CD1-CD2 3.47Å; F1191-L1193 VanDerWaalsContact CD1-CD2 3.47Å; F1191-L1193 HydrophobicContact CD1-CG 3.95Å; F1191-L1193 HydrophobicContact CE1-CD2 3.52Å; F1191-L1193 HydrophobicContact CE1-CG 4.48Å; F1191-L1220 HydrophobicContact CB-CD1 3.89Å; F1191-L1220 HydrophobicContact CB-CD2 4.44Å; F1191-Q1221 PolarHBondContact N-O 2.86Å; F1191-I1223 PolarHBondContact O-N 2.9Å |
| 1192 | V | 89.2 | Confident | 84 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.9 | 178.1 | -169.1 | 0 | 0 | 0 | 0 | 110.1 | I45 F133 L134 V135 F1190 I1223 | I45-V1192 HydrophobicContact CD1-CG1 4.33Å; I45-V1192 HydrophobicContact CD1-CG2 4.11Å; I45-V1192 HydrophobicContact CG2-CG2 4.36Å; F133-V1192 PolarHBondContact O-N 3Å; L134-V1192 HydrophobicContact CD2-CB 4.03Å; L134-V1192 HydrophobicContact CD2-CG2 4.15Å; V135-V1192 PolarHBondContact N-O 2.91Å; F1190-V1192 HydrophobicContact CD2-CG2 4.01Å; F1190-V1192 HydrophobicContact CE2-CG2 4.28Å; V1192-I1223 VanDerWaalsContact CA-O 3.3Å; V1192-I1223 WeakPolarHBondContact CA-O 3.31Å; V1192-I1223 HydrophobicContact CG1-CB 4.49Å; V1192-I1223 HydrophobicContact CG2-CB 4.41Å |
| 1193 | L | 88.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.7 | -176.4 | -61.2 | -179.9 | 0 | 0 | 0 | 109.6 | V135 L1176 F1191 V1196 I1212 I1222 I1223 V1224 I1225 | V135-L1193 HydrophobicContact CB-CD2 4.01Å; V135-L1193 HydrophobicContact CG2-CD2 3.67Å; L1176-L1193 HydrophobicContact CD2-CD2 4.27Å; F1191-L1193 HydrophobicContact CD1-CD2 3.47Å; F1191-L1193 VanDerWaalsContact CD1-CD2 3.47Å; F1191-L1193 HydrophobicContact CD1-CG 3.95Å; F1191-L1193 HydrophobicContact CE1-CD2 3.52Å; F1191-L1193 HydrophobicContact CE1-CG 4.48Å; L1193-V1196 HydrophobicContact CB-CG1 3.72Å; L1193-V1196 HydrophobicContact CB-CG2 4.31Å; L1193-V1196 HydrophobicContact CD1-CG2 4.46Å; L1193-V1196 HydrophobicContact CD2-CG1 4.14Å; L1193-V1196 HydrophobicContact CG-CG1 4.37Å; L1193-I1212 HydrophobicContact CD1-CD1 3.77Å; L1193-I1222 HydrophobicContact CD1-CG2 4.17Å; L1193-I1223 PolarHBondContact N-O 2.85Å; L1193-V1224 HydrophobicContact CB-CB 4.45Å; L1193-V1224 HydrophobicContact CB-CG1 4.15Å; L1193-V1224 HydrophobicContact CB-CG2 4Å; L1193-V1224 HydrophobicContact CD1-CG2 3.99Å; L1193-V1224 HydrophobicContact CG-CG2 4.37Å; L1193-V1224 CarbonylContact O-C 3.52Å; L1193-V1224 WeakPolarHBondContact O-CA 3.39Å; L1193-I1225 PolarHBondContact O-N 3.26Å |
| 1194 | D | 88.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112.5 | 179.1 | -167.8 | 27.9 | 0 | 0 | 0 | 111 | M42 V135 Q137 V1196 I1225 | M42-D1194 HydrophobicContact CE-CB 4.04Å; M42-D1194 HydrophobicContact SD-CB 3.54Å; M42-D1194 VanDerWaalsContact SD-CB 3.54Å; V135-D1194 WeakPolarHBondContact O-CB 3.3Å; V135-D1194 PolarHBondContact O-N 2.82Å; Q137-D1194 PolarHBondContact N-OD2 2.94Å; D1194-V1196 VanDerWaalsContact C-N 3.3Å; D1194-V1196 PolarHBondContact O-N 3.48Å; D1194-I1225 HydrophobicContact CB-CD1 4.27Å; D1194-I1225 WeakPolarHBondContact OD1-CB 3.48Å; D1194-I1225 WeakPolarHBondContact OD1-CD1 3.34Å; D1194-I1225 WeakPolarHBondContact OD1-CG2 3.36Å |
| 1195 | E | 86.8 | Confident | 83.4 | Confident | 32 Ų | 32 | 28.8 Ų | 28.8 | 15% | 0.15 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 52.1 | 41 | 174.7 | -62.1 | -175.8 | -175.5 | 0 | 0 | 114.5 | Q137 D1197 A1198 I1225 | Q137-E1195 VanDerWaalsContact CD-OE2 3.26Å; Q137-E1195 HydrophobicContact CG-CB 4.36Å; Q137-E1195 WeakPolarHBondContact CG-OE2 3.36Å; Q137-E1195 PolarHBondContact NE2-OE2 2.93Å; E1195-D1197 VanDerWaalsContact C-OD1 3.3Å; E1195-D1197 WeakPolarHBondContact CA-OD1 3.48Å; E1195-D1197 PolarHBondContact O-N 2.81Å; E1195-A1198 WeakPolarHBondContact O-CB 3.29Å; E1195-A1198 PolarHBondContact O-N 2.86Å; E1195-I1225 WeakPolarHBondContact CA-O 3.45Å; E1195-I1225 PolarHBondContact N-O 2.82Å |
| 1196 | V | 85.2 | Confident | 83.2 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -14.9 | 178.4 | -56.8 | 0 | 0 | 0 | 0 | 113.4 | V140 T1172 L1193 D1194 A1198 L1200 F1231 | V140-V1196 HydrophobicContact CG2-CB 4.17Å; V140-V1196 HydrophobicContact CG2-CG1 3.62Å; T1172-V1196 WeakPolarHBondContact CG2-O 3.31Å; L1193-V1196 HydrophobicContact CB-CG1 3.72Å; L1193-V1196 HydrophobicContact CB-CG2 4.31Å; L1193-V1196 HydrophobicContact CD1-CG2 4.46Å; L1193-V1196 HydrophobicContact CD2-CG1 4.14Å; L1193-V1196 HydrophobicContact CG-CG1 4.37Å; D1194-V1196 VanDerWaalsContact C-N 3.3Å; D1194-V1196 PolarHBondContact O-N 3.48Å; V1196-A1198 VanDerWaalsContact C-N 3.33Å; V1196-L1200 WeakPolarHBondContact O-CD1 3.39Å; V1196-F1231 HydrophobicContact CG2-CE2 3.99Å; V1196-F1231 HydrophobicContact CG2-CZ 4.24Å |
| 1197 | D | 84.9 | Confident | 83.1 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -4.6 | -179.2 | 60.9 | -31.1 | 0 | 0 | 0 | 113.6 | E1195 A1199 L1200 I1205 S1226 K1228 F1231 | E1195-D1197 VanDerWaalsContact C-OD1 3.3Å; E1195-D1197 WeakPolarHBondContact CA-OD1 3.48Å; E1195-D1197 PolarHBondContact O-N 2.81Å; D1197-A1199 PolarHBondContact O-N 3.12Å; D1197-L1200 PolarHBondContact O-N 2.73Å; D1197-I1205 HydrophobicContact CB-CD1 4.23Å; D1197-I1205 HydrophobicContact CB-CG1 4.3Å; D1197-S1226 PolarHBondContact OD2-OG 3.31Å; D1197-K1228 HydrophobicContact CB-CD 4.12Å; D1197-K1228 WeakPolarHBondContact O-CE 3.49Å; D1197-K1228 PolarHBondContact O-NZ 2.79Å; D1197-K1228 WeakPolarHBondContact OD2-CB 3.4Å; D1197-K1228 WeakPolarHBondContact OD2-CG 3.44Å; D1197-K1228 PolarHBondContact OD2-N 3.11Å; D1197-F1231 HydrophobicContact CB-CD2 4.24Å |
| 1198 | A | 81.5 | Confident | 83.2 | Confident | 80 Ų | 80 | 25.6 Ų | 25.6 | 66% | 0.661 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -40.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1195 V1196 | E1195-A1198 WeakPolarHBondContact O-CB 3.29Å; E1195-A1198 PolarHBondContact O-N 2.86Å; V1196-A1198 VanDerWaalsContact C-N 3.33Å |
| 1199 | A | 79.2 | Confident | 83.2 | Confident | 37 Ų | 37 | 25.5 Ų | 25.5 | 31% | 0.306 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 1.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G1169 D1197 | G1169-A1199 WeakPolarHBondContact CA-O 3.3Å; G1169-A1199 PolarHBondContact N-O 2.95Å; D1197-A1199 PolarHBondContact O-N 3.12Å |
| 1200 | L | 82.1 | Confident | 83 | Confident | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | trans | -96.9 | 139.3 | -178.4 | -63.8 | 172.2 | 0 | 0 | 0 | 110.9 | T1172 L1173 V1196 D1197 N1204 I1205 V1208 K1228 | T1172-L1200 HydrophobicContact CG2-CD1 4.07Å; T1172-L1200 HydrophobicContact CG2-CD2 4.05Å; T1172-L1200 HydrophobicContact CG2-CG 3.97Å; L1173-L1200 HydrophobicContact CD2-CD2 3.95Å; L1173-L1200 HydrophobicContact CG-CD2 4.09Å; V1196-L1200 WeakPolarHBondContact O-CD1 3.39Å; D1197-L1200 PolarHBondContact O-N 2.73Å; L1200-N1204 HydrophobicContact CD2-CB 4.16Å; L1200-I1205 HydrophobicContact CB-CD1 4.13Å; L1200-I1205 HydrophobicContact CB-CG1 3.57Å; L1200-I1205 HydrophobicContact CD1-CG1 4.35Å; L1200-I1205 WeakPolarHBondContact O-CD1 3.29Å; L1200-V1208 HydrophobicContact CD1-CG2 3.79Å; L1200-K1228 PolarHBondContact O-NZ 2.69Å | ||
| 1201 | D | 82.8 | Confident | 82.6 | Confident | 81 Ų | 81 | 26.6 Ų | 26.6 | 43% | 0.433 | 17% | 0.17 | S | C | . | . | trans | -76.8 | 163.3 | 168.4 | 58.3 | 25.1 | 0 | 0 | 0 | 110.9 | T1203 N1204 I1205 | D1201-T1203 PolarHBondContact O-N 2.85Å; D1201-T1203 PolarHBondContact OD1-OG1 3.04Å; D1201-T1203 PolarHBondContact OD2-OG1 3.27Å; D1201-N1204 VanDerWaalsContact CG-ND2 3.32Å; D1201-N1204 PolarHBondContact O-N 2.95Å; D1201-N1204 VanDerWaalsContact O-N 3.15Å; D1201-N1204 WeakPolarHBondContact OD1-CB 3.37Å; D1201-N1204 PolarHBondContact OD1-N 3.17Å; D1201-N1204 PolarHBondContact OD1-ND2 2.62Å; D1201-N1204 PolarHBondContact OD2-ND2 3.32Å; D1201-I1205 WeakPolarHBondContact O-CD1 3.33Å; D1201-I1205 VanDerWaalsContact O-CG1 3.25Å; D1201-I1205 WeakPolarHBondContact O-CG1 3.49Å; D1201-I1205 PolarHBondContact O-N 3.12Å | ||
| 1202 | N | 79.6 | Confident | 82.5 | Confident | 87 Ų | 87 | 26.5 Ų | 26.5 | 47% | 0.465 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58 | -33.9 | -176.8 | -71.3 | 9.5 | 0 | 0 | 0 | 112.2 | I1205 G1206 E1230 | N1202-I1205 PolarHBondContact O-N 3.16Å; N1202-G1206 PolarHBondContact O-N 3.45Å; N1202-E1230 PolarHBondContact ND2-OE1 2.72Å |
| 1203 | T | 77.4 | Confident | 82.2 | Confident | 96 Ų | 96 | 29.6 Ų | 29.6 | 59% | 0.589 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -64.9 | -45.3 | 176.9 | 44.3 | 0 | 0 | 0 | 0 | 113 | D1201 K1207 | D1201-T1203 PolarHBondContact O-N 2.85Å; D1201-T1203 PolarHBondContact OD1-OG1 3.04Å; D1201-T1203 PolarHBondContact OD2-OG1 3.27Å; T1203-K1207 WeakPolarHBondContact O-CG 3.43Å; T1203-K1207 PolarHBondContact O-N 3.02Å |
| 1204 | N | 77.4 | Confident | 81.8 | Confident | 30 Ų | 30 | 31.3 Ų | 31.3 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76.6 | -31.1 | 178.7 | -67.8 | -45.2 | 0 | 0 | 0 | 110.8 | L1200 D1201 K1207 V1208 | L1200-N1204 HydrophobicContact CD2-CB 4.16Å; D1201-N1204 VanDerWaalsContact CG-ND2 3.32Å; D1201-N1204 PolarHBondContact O-N 2.95Å; D1201-N1204 VanDerWaalsContact O-N 3.15Å; D1201-N1204 WeakPolarHBondContact OD1-CB 3.37Å; D1201-N1204 PolarHBondContact OD1-N 3.17Å; D1201-N1204 PolarHBondContact OD1-ND2 2.62Å; D1201-N1204 PolarHBondContact OD2-ND2 3.32Å; N1204-K1207 WeakPolarHBondContact O-CB 3.26Å; N1204-K1207 PolarHBondContact O-N 2.78Å; N1204-V1208 WeakPolarHBondContact O-CG2 3.33Å; N1204-V1208 PolarHBondContact O-N 3.03Å |
| 1205 | I | 83.4 | Confident | 81.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.2 | -48.4 | 172.5 | -71.8 | 160.4 | 0 | 0 | 0 | 111.1 | D1197 L1200 D1201 N1202 K1207 V1208 A1209 K1228 E1230 F1231 | D1197-I1205 HydrophobicContact CB-CD1 4.23Å; D1197-I1205 HydrophobicContact CB-CG1 4.3Å; L1200-I1205 HydrophobicContact CB-CD1 4.13Å; L1200-I1205 HydrophobicContact CB-CG1 3.57Å; L1200-I1205 HydrophobicContact CD1-CG1 4.35Å; L1200-I1205 WeakPolarHBondContact O-CD1 3.29Å; D1201-I1205 WeakPolarHBondContact O-CD1 3.33Å; D1201-I1205 VanDerWaalsContact O-CG1 3.25Å; D1201-I1205 WeakPolarHBondContact O-CG1 3.49Å; D1201-I1205 PolarHBondContact O-N 3.12Å; N1202-I1205 PolarHBondContact O-N 3.16Å; I1205-K1207 PolarHBondContact O-N 2.97Å; I1205-V1208 PolarHBondContact O-N 3.36Å; I1205-V1208 VanDerWaalsContact O-N 3.14Å; I1205-A1209 VanDerWaalsContact O-CB 3.3Å; I1205-A1209 WeakPolarHBondContact O-CB 3.46Å; I1205-A1209 PolarHBondContact O-N 2.82Å; I1205-K1228 HydrophobicContact CD1-CD 3.18Å; I1205-K1228 HydrophobicContact CD1-CG 4.48Å; I1205-K1228 VanDerWaalsContact CD1-NZ 3.32Å; I1205-E1230 HydrophobicContact CG2-CB 3.89Å; I1205-F1231 HydrophobicContact CG2-CB 3.83Å; I1205-F1231 HydrophobicContact CG2-CD2 3.88Å; I1205-F1231 HydrophobicContact CG2-CG 4.31Å |
| 1206 | G | 79.4 | Confident | 81 | Confident | 34 Ų | 34 | 32.2 Ų | 32.2 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.7 | -40.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N1202 A1210 | N1202-G1206 PolarHBondContact O-N 3.45Å; G1206-A1210 WeakPolarHBondContact O-CB 3.37Å; G1206-A1210 PolarHBondContact O-N 3.48Å |
| 1207 | K | 76.3 | Confident | 80.7 | Confident | 34 Ų | 34 | 38.9 Ų | 38.9 | 15% | 0.148 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.6 | -44.9 | 175.2 | -64.5 | 175.7 | -167.6 | 172.9 | 0 | 112.6 | M1126 S1127 R1128 T1203 N1204 I1205 F1211 | M1126-K1207 VanDerWaalsContact O-CD 3.25Å; M1126-K1207 WeakPolarHBondContact O-CD 3.44Å; S1127-K1207 PolarHBondContact O-NZ 3Å; R1128-K1207 HydrophobicContact CG-CD 4.12Å; R1128-K1207 HydrophobicContact CG-CG 4.38Å; T1203-K1207 WeakPolarHBondContact O-CG 3.43Å; T1203-K1207 PolarHBondContact O-N 3.02Å; N1204-K1207 WeakPolarHBondContact O-CB 3.26Å; N1204-K1207 PolarHBondContact O-N 2.78Å; I1205-K1207 PolarHBondContact O-N 2.97Å; K1207-F1211 WeakPolarHBondContact O-CB 3.05Å; K1207-F1211 PolarHBondContact O-N 2.79Å |
| 1208 | V | 81.2 | Confident | 80 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | M1126 L1173 L1176 L1200 N1204 I1205 F1211 I1212 F1231 | M1126-V1208 HydrophobicContact CE-CB 3.91Å; M1126-V1208 HydrophobicContact CE-CG1 3.84Å; M1126-V1208 HydrophobicContact CE-CG2 3.18Å; L1173-V1208 HydrophobicContact CD2-CG2 3.79Å; L1176-V1208 HydrophobicContact CD1-CG1 4.14Å; L1200-V1208 HydrophobicContact CD1-CG2 3.79Å; N1204-V1208 WeakPolarHBondContact O-CG2 3.33Å; N1204-V1208 PolarHBondContact O-N 3.03Å; I1205-V1208 PolarHBondContact O-N 3.36Å; I1205-V1208 VanDerWaalsContact O-N 3.14Å; V1208-F1211 PolarHBondContact O-N 2.89Å; V1208-I1212 HydrophobicContact CG1-CD1 3.77Å; V1208-I1212 HydrophobicContact CG1-CG1 4.45Å; V1208-I1212 WeakPolarHBondContact O-CB 2.96Å; V1208-I1212 WeakPolarHBondContact O-CG1 3.29Å; V1208-I1212 PolarHBondContact O-N 3.07Å; V1208-F1231 HydrophobicContact CG1-CE2 3.89Å; V1208-F1231 HydrophobicContact CG1-CZ 4.38Å |
| 1209 | A | 82.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1205 I1212 R1213 K1234 | I1205-A1209 VanDerWaalsContact O-CB 3.3Å; I1205-A1209 WeakPolarHBondContact O-CB 3.46Å; I1205-A1209 PolarHBondContact O-N 2.82Å; A1209-I1212 PolarHBondContact O-N 2.85Å; A1209-R1213 PolarHBondContact O-N 2.95Å; A1209-K1234 HydrophobicContact CB-CG 4.49Å |
| 1210 | A | 80.3 | Confident | 79.9 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -47.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1206 I1212 R1213 E1214 | G1206-A1210 WeakPolarHBondContact O-CB 3.37Å; G1206-A1210 PolarHBondContact O-N 3.48Å; A1210-I1212 VanDerWaalsContact C-N 3.32Å; A1210-I1212 PolarHBondContact O-N 2.81Å; A1210-R1213 PolarHBondContact O-N 2.93Å; A1210-E1214 PolarHBondContact O-N 2.84Å; A1210-E1214 VanDerWaalsContact O-N 3.09Å |
| 1211 | F | 79.8 | Confident | 80.3 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 176.2 | 177 | -95.6 | 0 | 0 | 0 | 112.2 | I1105 M1126 F1180 K1207 V1208 E1214 Q1215 | I1105-F1211 HydrophobicContact CG2-CE2 4.37Å; I1105-F1211 HydrophobicContact CG2-CZ 3.97Å; M1126-F1211 HydrophobicContact CG-CB 4.27Å; M1126-F1211 HydrophobicContact CG-CD1 4.4Å; M1126-F1211 HydrophobicContact CG-CG 4.16Å; F1180-F1211 HydrophobicContact CD1-CE1 4.05Å; F1180-F1211 HydrophobicContact CD2-CD1 4.4Å; F1180-F1211 AromaticContact CD2-CE1 3.51Å; F1180-F1211 HydrophobicContact CD2-CE1 3.51Å; F1180-F1211 HydrophobicContact CD2-CZ 4.26Å; F1180-F1211 HydrophobicContact CE1-CE1 4.09Å; F1180-F1211 HydrophobicContact CE2-CD1 4.09Å; F1180-F1211 AromaticContact CE2-CE1 3.58Å; F1180-F1211 HydrophobicContact CE2-CE1 3.58Å; F1180-F1211 AromaticContact CG-CE1 3.78Å; F1180-F1211 HydrophobicContact CG-CE1 3.78Å; F1180-F1211 HydrophobicContact CG-CZ 4.22Å; F1180-F1211 HydrophobicContact CZ-CD1 4.35Å; F1180-F1211 AromaticContact CZ-CE1 3.87Å; F1180-F1211 HydrophobicContact CZ-CE1 3.87Å; K1207-F1211 WeakPolarHBondContact O-CB 3.05Å; K1207-F1211 PolarHBondContact O-N 2.79Å; V1208-F1211 PolarHBondContact O-N 2.89Å; F1211-E1214 PolarHBondContact O-N 2.71Å; F1211-Q1215 HydrophobicContact CD1-CG 4.09Å; F1211-Q1215 HydrophobicContact CD2-CG 4.48Å; F1211-Q1215 HydrophobicContact CE1-CG 3.61Å; F1211-Q1215 HydrophobicContact CE2-CG 4.07Å; F1211-Q1215 HydrophobicContact CG-CG 4.5Å; F1211-Q1215 HydrophobicContact CZ-CG 3.62Å; F1211-Q1215 WeakPolarHBondContact O-CB 3.5Å; F1211-Q1215 VanDerWaalsContact O-CG 3.27Å; F1211-Q1215 WeakPolarHBondContact O-CG 3.26Å; F1211-Q1215 PolarHBondContact O-N 2.83Å |
| 1212 | I | 85.4 | Confident | 80.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.8 | -80.7 | 173.8 | 0 | 0 | 0 | 111.7 | F27 F1180 L1193 V1208 A1209 A1210 Q1215 A1216 I1222 F1231 | F27-I1212 HydrophobicContact CD1-CG2 4.16Å; F27-I1212 HydrophobicContact CD2-CG2 3.85Å; F27-I1212 HydrophobicContact CE1-CG2 3.99Å; F27-I1212 HydrophobicContact CE2-CG2 3.68Å; F27-I1212 HydrophobicContact CG-CG2 4.14Å; F27-I1212 HydrophobicContact CZ-CG2 3.76Å; F1180-I1212 HydrophobicContact CZ-CG1 4.27Å; L1193-I1212 HydrophobicContact CD1-CD1 3.77Å; V1208-I1212 HydrophobicContact CG1-CD1 3.77Å; V1208-I1212 HydrophobicContact CG1-CG1 4.45Å; V1208-I1212 WeakPolarHBondContact O-CB 2.96Å; V1208-I1212 WeakPolarHBondContact O-CG1 3.29Å; V1208-I1212 PolarHBondContact O-N 3.07Å; A1209-I1212 PolarHBondContact O-N 2.85Å; A1210-I1212 VanDerWaalsContact C-N 3.32Å; A1210-I1212 PolarHBondContact O-N 2.81Å; I1212-Q1215 PolarHBondContact O-N 2.69Å; I1212-A1216 VanDerWaalsContact O-CB 3.26Å; I1212-A1216 WeakPolarHBondContact O-CB 2.99Å; I1212-A1216 PolarHBondContact O-N 2.8Å; I1212-I1222 HydrophobicContact CB-CD1 4.03Å; I1212-I1222 HydrophobicContact CG1-CD1 3.99Å; I1212-I1222 HydrophobicContact CG2-CB 4.14Å; I1212-I1222 HydrophobicContact CG2-CD1 3.66Å; I1212-I1222 HydrophobicContact CG2-CG1 4.44Å; I1212-I1222 HydrophobicContact CG2-CG2 3.98Å; I1212-F1231 HydrophobicContact CD1-CE1 4.17Å; I1212-F1231 HydrophobicContact CD1-CE2 4.24Å; I1212-F1231 HydrophobicContact CD1-CZ 3.41Å; I1212-F1231 VanDerWaalsContact CD1-CZ 3.41Å |
| 1213 | R | 83.8 | Confident | 81.2 | Confident | 67 Ų | 67 | 34.1 Ų | 34.1 | 25% | 0.253 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 177 | -175.6 | 169.6 | 174.8 | 163.7 | -14.4 | 111 | F27 A1209 A1210 A1216 E1217 D1263 | F27-R1213 HydrophobicContact CD1-CB 4.32Å; A1209-R1213 PolarHBondContact O-N 2.95Å; A1210-R1213 PolarHBondContact O-N 2.93Å; R1213-A1216 WeakPolarHBondContact O-CB 3.5Å; R1213-A1216 PolarHBondContact O-N 2.89Å; R1213-A1216 VanDerWaalsContact O-N 3.11Å; R1213-E1217 WeakPolarHBondContact O-CG 3.49Å; R1213-E1217 PolarHBondContact O-N 2.78Å; R1213-D1263 IonicContact CZ-OD2 3.35Å; R1213-D1263 IonicContact NH1-OD2 3.99Å; R1213-D1263 IonicContact NH2-OD2 3.79Å; R1213-D1263 PolarHBondContact NH2-OD2 2.96Å |
| 1214 | E | 79.2 | Confident | 81.9 | Confident | 36 Ų | 36 | 29.6 Ų | 29.6 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 178.4 | -172.4 | 178.9 | 174 | 0 | 0 | 113.1 | L1124 A1210 F1211 A1216 E1217 T1218 | L1124-E1214 WeakPolarHBondContact CD2-OE1 3.46Å; L1124-E1214 WeakPolarHBondContact CD2-OE2 3.32Å; L1124-E1214 WeakPolarHBondContact CG-OE1 3.25Å; L1124-E1214 WeakPolarHBondContact CG-OE2 3.4Å; A1210-E1214 PolarHBondContact O-N 2.84Å; A1210-E1214 VanDerWaalsContact O-N 3.09Å; F1211-E1214 PolarHBondContact O-N 2.71Å; E1214-A1216 PolarHBondContact O-N 3.35Å; E1214-E1217 PolarHBondContact O-N 2.78Å; E1214-T1218 PolarHBondContact O-N 2.74Å; E1214-T1218 PolarHBondContact O-OG1 3.32Å |
| 1215 | Q | 80.1 | Confident | 82.5 | Confident | 49 Ų | 49 | 28.2 Ų | 28.2 | 23% | 0.229 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -34.5 | 172.8 | -70 | -60.6 | -47 | 0 | 0 | 111.5 | F1211 I1212 E1217 T1218 L1220 I1222 | F1211-Q1215 HydrophobicContact CD1-CG 4.09Å; F1211-Q1215 HydrophobicContact CD2-CG 4.48Å; F1211-Q1215 HydrophobicContact CE1-CG 3.61Å; F1211-Q1215 HydrophobicContact CE2-CG 4.07Å; F1211-Q1215 HydrophobicContact CG-CG 4.5Å; F1211-Q1215 HydrophobicContact CZ-CG 3.62Å; F1211-Q1215 WeakPolarHBondContact O-CB 3.5Å; F1211-Q1215 VanDerWaalsContact O-CG 3.27Å; F1211-Q1215 WeakPolarHBondContact O-CG 3.26Å; F1211-Q1215 PolarHBondContact O-N 2.83Å; I1212-Q1215 PolarHBondContact O-N 2.69Å; Q1215-E1217 VanDerWaalsContact C-N 3.32Å; Q1215-T1218 PolarHBondContact O-N 3.16Å; Q1215-T1218 PolarHBondContact O-OG1 3.45Å; Q1215-T1218 VanDerWaalsContact O-OG1 3.1Å; Q1215-L1220 HydrophobicContact CB-CD2 4.36Å; Q1215-L1220 WeakPolarHBondContact O-CB 3.28Å; Q1215-L1220 PolarHBondContact O-N 3.07Å; Q1215-I1222 HydrophobicContact CB-CD1 4.25Å |
| 1216 | A | 80.4 | Confident | 82.8 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.7 | -31.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F27 I1212 R1213 E1214 L1220 | F27-A1216 HydrophobicContact CB-CB 3.87Å; I1212-A1216 VanDerWaalsContact O-CB 3.26Å; I1212-A1216 WeakPolarHBondContact O-CB 2.99Å; I1212-A1216 PolarHBondContact O-N 2.8Å; R1213-A1216 WeakPolarHBondContact O-CB 3.5Å; R1213-A1216 PolarHBondContact O-N 2.89Å; R1213-A1216 VanDerWaalsContact O-N 3.11Å; E1214-A1216 PolarHBondContact O-N 3.35Å; A1216-L1220 CarbonylContact C-O 3.58Å; A1216-L1220 WeakPolarHBondContact CA-O 3.31Å; A1216-L1220 VanDerWaalsContact O-O 3.13Å |
| 1217 | E | 77.5 | Confident | 83.2 | Confident | 141 Ų | 141 | 30.4 Ų | 30.4 | 66% | 0.659 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -70.9 | -37.2 | 176.2 | -72.6 | 173.2 | -169.7 | 0 | 0 | 112.9 | R1213 E1214 Q1215 | R1213-E1217 WeakPolarHBondContact O-CG 3.49Å; R1213-E1217 PolarHBondContact O-N 2.78Å; E1214-E1217 PolarHBondContact O-N 2.78Å; Q1215-E1217 VanDerWaalsContact C-N 3.32Å |
| 1218 | T | 70.6 | Confident | 83.8 | Confident | 85 Ų | 85 | 31.3 Ų | 31.3 | 52% | 0.521 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -77.2 | -54.8 | -170 | 38.2 | 0 | 0 | 0 | 0 | 113.7 | E1214 Q1215 | E1214-T1218 PolarHBondContact O-N 2.74Å; E1214-T1218 PolarHBondContact O-OG1 3.32Å; Q1215-T1218 PolarHBondContact O-N 3.16Å; Q1215-T1218 PolarHBondContact O-OG1 3.45Å; Q1215-T1218 VanDerWaalsContact O-OG1 3.1Å |
| 1219 | N | 75.5 | Confident | 84.1 | Confident | 107 Ų | 107 | 37.5 Ų | 37.5 | 57% | 0.572 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -176.6 | 48.7 | 174.4 | -89.4 | -42.3 | 0 | 0 | 0 | 112.1 | M1 R1183 | M1-N1219 WeakPolarHBondContact CB-OD1 3.31Å; M1-N1219 HydrophobicContact CE-CB 4.22Å; M1-N1219 HydrophobicContact CG-CB 4.04Å; M1-N1219 WeakPolarHBondContact CG-OD1 3.12Å; M1-N1219 HydrophobicContact SD-CB 4.23Å; R1183-N1219 PolarHBondContact NH2-O 3.45Å |
| 1220 | L | 83.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -140.2 | 142.3 | 172 | 171.6 | 50.3 | 0 | 0 | 0 | 111.9 | M1 F1180 R1183 F1191 Q1215 A1216 I1222 | M1-L1220 PolarHBondContact SD-N 3.31Å; F1180-L1220 HydrophobicContact CE1-CD2 3.93Å; R1183-L1220 VanDerWaalsContact NH2-CB 3.25Å; R1183-L1220 VanDerWaalsContact NH2-CD1 3.29Å; F1191-L1220 HydrophobicContact CB-CD1 3.89Å; F1191-L1220 HydrophobicContact CB-CD2 4.44Å; Q1215-L1220 HydrophobicContact CB-CD2 4.36Å; Q1215-L1220 WeakPolarHBondContact O-CB 3.28Å; Q1215-L1220 PolarHBondContact O-N 3.07Å; A1216-L1220 CarbonylContact C-O 3.58Å; A1216-L1220 WeakPolarHBondContact CA-O 3.31Å; A1216-L1220 VanDerWaalsContact O-O 3.13Å; L1220-I1222 HydrophobicContact CD1-CG1 4.24Å; L1220-I1222 HydrophobicContact CD2-CD1 3.54Å; L1220-I1222 HydrophobicContact CD2-CG1 3.57Å; L1220-I1222 HydrophobicContact CG-CD1 3.99Å; L1220-I1222 HydrophobicContact CG-CG1 3.51Å | ||
| 1221 | Q | 89.7 | Confident | 84.5 | Confident | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 118.5 | 165.7 | -176.9 | -178.5 | 38.2 | 0 | 0 | 111.2 | L4 F24 A25 S26 P1189 F1190 F1191 | L4-Q1221 VanDerWaalsContact CB-OE1 3.23Å; L4-Q1221 PolarHBondContact O-NE2 3.33Å; L4-Q1221 PolarHBondContact O-OE1 2.82Å; F24-Q1221 VanDerWaalsContact CB-NE2 3.34Å; A25-Q1221 WeakPolarHBondContact O-CG 3.3Å; A25-Q1221 PolarHBondContact O-NE2 3.38Å; S26-Q1221 CarbonylContact O-C 3.55Å; S26-Q1221 VanDerWaalsContact O-CA 3.28Å; S26-Q1221 WeakPolarHBondContact O-CA 3.26Å; P1189-Q1221 PolarHBondContact O-N 3.08Å; F1190-Q1221 CarbonylContact C-O 3.53Å; F1190-Q1221 WeakPolarHBondContact CA-O 3.46Å; F1190-Q1221 HydrophobicContact CB-CB 3.89Å; F1190-Q1221 HydrophobicContact CB-CG 4.32Å; F1190-Q1221 WeakPolarHBondContact CB-O 3.44Å; F1191-Q1221 PolarHBondContact N-O 2.86Å |
| 1222 | I | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127 | -179.4 | -50.2 | -176.7 | 0 | 0 | 0 | 110.4 | S26 F27 S28 F1180 L1193 I1212 Q1215 L1220 V1224 | S26-I1222 PolarHBondContact O-N 3.4Å; F27-I1222 WeakPolarHBondContact CA-O 3.36Å; F27-I1222 HydrophobicContact CD2-CB 4.39Å; S28-I1222 PolarHBondContact N-O 2.84Å; F1180-I1222 HydrophobicContact CE1-CD1 4.41Å; L1193-I1222 HydrophobicContact CD1-CG2 4.17Å; I1212-I1222 HydrophobicContact CB-CD1 4.03Å; I1212-I1222 HydrophobicContact CG1-CD1 3.99Å; I1212-I1222 HydrophobicContact CG2-CB 4.14Å; I1212-I1222 HydrophobicContact CG2-CD1 3.66Å; I1212-I1222 HydrophobicContact CG2-CG1 4.44Å; I1212-I1222 HydrophobicContact CG2-CG2 3.98Å; Q1215-I1222 HydrophobicContact CB-CD1 4.25Å; L1220-I1222 HydrophobicContact CD1-CG1 4.24Å; L1220-I1222 HydrophobicContact CD2-CD1 3.54Å; L1220-I1222 HydrophobicContact CD2-CG1 3.57Å; L1220-I1222 HydrophobicContact CG-CD1 3.99Å; L1220-I1222 HydrophobicContact CG-CG1 3.51Å; I1222-V1224 HydrophobicContact CG2-CG2 3.56Å |
| 1223 | I | 91.6 | Very high | 85 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 113.8 | 173.6 | -55.9 | 170.8 | 0 | 0 | 0 | 107.6 | L4 F24 S28 V30 F1191 V1192 L1193 | L4-I1223 HydrophobicContact CD2-CD1 3.85Å; F24-I1223 HydrophobicContact CD1-CD1 3.81Å; F24-I1223 HydrophobicContact CD1-CG1 4.11Å; F24-I1223 HydrophobicContact CD2-CD1 4.48Å; F24-I1223 HydrophobicContact CE1-CD1 3.91Å; F24-I1223 HydrophobicContact CE1-CG1 4.44Å; F24-I1223 HydrophobicContact CE1-CG2 4.19Å; F24-I1223 HydrophobicContact CG-CD1 4.11Å; F24-I1223 HydrophobicContact CZ-CD1 4.31Å; S28-I1223 CarbonylContact O-C 3.45Å; S28-I1223 VanDerWaalsContact O-CA 3.31Å; S28-I1223 WeakPolarHBondContact O-CA 3.41Å; V30-I1223 HydrophobicContact CG2-CG2 3.91Å; F1191-I1223 PolarHBondContact O-N 2.9Å; V1192-I1223 VanDerWaalsContact CA-O 3.3Å; V1192-I1223 WeakPolarHBondContact CA-O 3.31Å; V1192-I1223 HydrophobicContact CG1-CB 4.49Å; V1192-I1223 HydrophobicContact CG2-CB 4.41Å; L1193-I1223 PolarHBondContact N-O 2.85Å |
| 1224 | V | 91.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.3 | -179.1 | -174 | 0 | 0 | 0 | 0 | 111.2 | F27 S28 A29 V30 L1193 I1222 F1231 | F27-V1224 HydrophobicContact CE2-CB 4.33Å; F27-V1224 HydrophobicContact CE2-CG2 3.89Å; S28-V1224 PolarHBondContact O-N 3.06Å; A29-V1224 CarbonylContact C-O 3.59Å; A29-V1224 VanDerWaalsContact CA-O 3.26Å; A29-V1224 WeakPolarHBondContact CA-O 3.26Å; V30-V1224 PolarHBondContact N-O 2.79Å; L1193-V1224 HydrophobicContact CB-CB 4.45Å; L1193-V1224 HydrophobicContact CB-CG1 4.15Å; L1193-V1224 HydrophobicContact CB-CG2 4Å; L1193-V1224 HydrophobicContact CD1-CG2 3.99Å; L1193-V1224 HydrophobicContact CG-CG2 4.37Å; L1193-V1224 CarbonylContact O-C 3.52Å; L1193-V1224 WeakPolarHBondContact O-CA 3.39Å; I1222-V1224 HydrophobicContact CG2-CG2 3.56Å; V1224-F1231 HydrophobicContact CB-CD1 4.29Å; V1224-F1231 HydrophobicContact CB-CE1 3.59Å; V1224-F1231 HydrophobicContact CB-CZ 4.2Å; V1224-F1231 HydrophobicContact CG1-CD1 3.93Å; V1224-F1231 HydrophobicContact CG1-CE1 3.37Å; V1224-F1231 HydrophobicContact CG1-CZ 3.68Å; V1224-F1231 HydrophobicContact CG2-CE1 3.54Å; V1224-F1231 HydrophobicContact CG2-CZ 3.9Å |
| 1225 | I | 91.2 | Very high | 85.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.3 | 167.4 | -53.7 | 168.3 | 0 | 0 | 0 | 106.4 | V30 K38 M42 L1193 D1194 E1195 | V30-I1225 HydrophobicContact CB-CB 4.47Å; V30-I1225 HydrophobicContact CB-CG1 3.9Å; V30-I1225 HydrophobicContact CG1-CG1 4.27Å; V30-I1225 HydrophobicContact CG2-CG1 4.38Å; V30-I1225 WeakPolarHBondContact O-CA 3.37Å; K38-I1225 HydrophobicContact CB-CG2 3.99Å; K38-I1225 HydrophobicContact CD-CG2 4.28Å; M42-I1225 HydrophobicContact CB-CD1 4.08Å; L1193-I1225 PolarHBondContact O-N 3.26Å; D1194-I1225 HydrophobicContact CB-CD1 4.27Å; D1194-I1225 WeakPolarHBondContact OD1-CB 3.48Å; D1194-I1225 WeakPolarHBondContact OD1-CD1 3.34Å; D1194-I1225 WeakPolarHBondContact OD1-CG2 3.36Å; E1195-I1225 WeakPolarHBondContact CA-O 3.45Å; E1195-I1225 PolarHBondContact N-O 2.82Å |
| 1226 | S | 89 | Confident | 85.9 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | trans | -142.2 | 155.4 | -177.5 | 167.9 | 0 | 0 | 0 | 0 | 110.7 | V30 D1197 K1228 | V30-S1226 PolarHBondContact O-N 3.16Å; D1197-S1226 PolarHBondContact OD2-OG 3.31Å; S1226-K1228 PolarHBondContact OG-N 2.8Å | ||
| 1227 | L | 87.4 | Confident | 86.5 | Confident | 78 Ų | 78 | 44.8 Ų | 44.8 | 41% | 0.408 | 22% | 0.224 | S | C | . | . | trans | -106.6 | -8.7 | 173.8 | -65.9 | 172.9 | 0 | 0 | 0 | 112.6 | G32 N34 | G32-L1227 WeakPolarHBondContact O-CD2 3.42Å; N34-L1227 VanDerWaalsContact OD1-CD1 3.28Å; N34-L1227 WeakPolarHBondContact OD1-CD1 3.35Å | ||
| 1228 | K | 88.1 | Confident | 87.2 | Confident | 54 Ų | 54 | 38.9 Ų | 38.9 | 24% | 0.235 | 20% | 0.197 | C | C | . | . | trans | -99.1 | 127.4 | -173 | -68.6 | -172.2 | 179.9 | 174.2 | 0 | 111.7 | D1197 L1200 I1205 S1226 E1230 F1231 Y1232 | D1197-K1228 HydrophobicContact CB-CD 4.12Å; D1197-K1228 WeakPolarHBondContact O-CE 3.49Å; D1197-K1228 PolarHBondContact O-NZ 2.79Å; D1197-K1228 WeakPolarHBondContact OD2-CB 3.4Å; D1197-K1228 WeakPolarHBondContact OD2-CG 3.44Å; D1197-K1228 PolarHBondContact OD2-N 3.11Å; L1200-K1228 PolarHBondContact O-NZ 2.69Å; I1205-K1228 HydrophobicContact CD1-CD 3.18Å; I1205-K1228 HydrophobicContact CD1-CG 4.48Å; I1205-K1228 VanDerWaalsContact CD1-NZ 3.32Å; S1226-K1228 PolarHBondContact OG-N 2.8Å; K1228-E1230 VanDerWaalsContact C-N 3.29Å; K1228-E1230 PolarHBondContact O-N 2.89Å; K1228-F1231 WeakPolarHBondContact O-CB 3.29Å; K1228-F1231 PolarHBondContact O-N 3.09Å; K1228-Y1232 WeakPolarHBondContact O-CD1 3.23Å; K1228-Y1232 WeakPolarHBondContact O-CE1 3.39Å; K1228-Y1232 PolarHBondContact O-N 2.77Å | ||
| 1229 | E | 87.5 | Confident | 88.3 | Confident | 129 Ų | 129 | 34.9 Ų | 34.9 | 60% | 0.603 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -62.4 | -37.5 | -175.9 | -173.1 | 171 | -176.6 | 0 | 0 | 112.7 | F1231 Y1232 S1233 | E1229-F1231 PolarHBondContact O-N 2.78Å; E1229-F1231 VanDerWaalsContact O-N 3.08Å; E1229-Y1232 HydrophobicContact CB-CE1 4.19Å; E1229-Y1232 HydrophobicContact CB-CE2 4.14Å; E1229-Y1232 WeakPolarHBondContact CB-OH 3.28Å; E1229-Y1232 HydrophobicContact CG-CE2 3.89Å; E1229-Y1232 PolarHBondContact O-N 3.22Å; E1229-S1233 WeakPolarHBondContact O-CB 3.31Å; E1229-S1233 PolarHBondContact O-N 2.77Å; E1229-S1233 PolarHBondContact O-OG 2.77Å |
| 1230 | E | 85.9 | Confident | 89.1 | Confident | 74 Ų | 74 | 30.6 Ų | 30.6 | 35% | 0.346 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.4 | -23.3 | 177.2 | -55.3 | 87.4 | 164.3 | 0 | 0 | 112.3 | N1202 I1205 K1228 S1233 | N1202-E1230 PolarHBondContact ND2-OE1 2.72Å; I1205-E1230 HydrophobicContact CG2-CB 3.89Å; K1228-E1230 VanDerWaalsContact C-N 3.29Å; K1228-E1230 PolarHBondContact O-N 2.89Å; E1230-S1233 PolarHBondContact O-OG 2.9Å |
| 1231 | F | 86.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -87.3 | -54.5 | 177.4 | -158.7 | -67.2 | 0 | 0 | 0 | 111.6 | F27 V1196 D1197 I1205 V1208 I1212 V1224 K1228 E1229 | F27-F1231 HydrophobicContact CE2-CE1 4.14Å; F27-F1231 HydrophobicContact CZ-CD1 4.15Å; F27-F1231 AromaticContact CZ-CE1 3.86Å; F27-F1231 HydrophobicContact CZ-CE1 3.86Å; V1196-F1231 HydrophobicContact CG2-CE2 3.99Å; V1196-F1231 HydrophobicContact CG2-CZ 4.24Å; D1197-F1231 HydrophobicContact CB-CD2 4.24Å; I1205-F1231 HydrophobicContact CG2-CB 3.83Å; I1205-F1231 HydrophobicContact CG2-CD2 3.88Å; I1205-F1231 HydrophobicContact CG2-CG 4.31Å; V1208-F1231 HydrophobicContact CG1-CE2 3.89Å; V1208-F1231 HydrophobicContact CG1-CZ 4.38Å; I1212-F1231 HydrophobicContact CD1-CE1 4.17Å; I1212-F1231 HydrophobicContact CD1-CE2 4.24Å; I1212-F1231 HydrophobicContact CD1-CZ 3.41Å; I1212-F1231 VanDerWaalsContact CD1-CZ 3.41Å; V1224-F1231 HydrophobicContact CB-CD1 4.29Å; V1224-F1231 HydrophobicContact CB-CE1 3.59Å; V1224-F1231 HydrophobicContact CB-CZ 4.2Å; V1224-F1231 HydrophobicContact CG1-CD1 3.93Å; V1224-F1231 HydrophobicContact CG1-CE1 3.37Å; V1224-F1231 HydrophobicContact CG1-CZ 3.68Å; V1224-F1231 HydrophobicContact CG2-CE1 3.54Å; V1224-F1231 HydrophobicContact CG2-CZ 3.9Å; K1228-F1231 WeakPolarHBondContact O-CB 3.29Å; K1228-F1231 PolarHBondContact O-N 3.09Å; E1229-F1231 PolarHBondContact O-N 2.78Å; E1229-F1231 VanDerWaalsContact O-N 3.08Å |
| 1232 | Y | 88.7 | Confident | 89.5 | Confident | 51 Ų | 51 | 32.7 Ų | 32.7 | 20% | 0.2 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -80.6 | -14.9 | -172.9 | 64.3 | -112.1 | 0 | 0 | 0 | 114 | A29 I31 K1228 E1229 K1234 A1235 L1238 | A29-Y1232 VanDerWaalsContact CB-CB 3.47Å; I31-Y1232 HydrophobicContact CG2-CD1 3.67Å; I31-Y1232 HydrophobicContact CG2-CD2 4.39Å; I31-Y1232 HydrophobicContact CG2-CE1 4.22Å; I31-Y1232 HydrophobicContact CG2-CG 3.78Å; K1228-Y1232 WeakPolarHBondContact O-CD1 3.23Å; K1228-Y1232 WeakPolarHBondContact O-CE1 3.39Å; K1228-Y1232 PolarHBondContact O-N 2.77Å; E1229-Y1232 HydrophobicContact CB-CE1 4.19Å; E1229-Y1232 HydrophobicContact CB-CE2 4.14Å; E1229-Y1232 WeakPolarHBondContact CB-OH 3.28Å; E1229-Y1232 HydrophobicContact CG-CE2 3.89Å; E1229-Y1232 PolarHBondContact O-N 3.22Å; Y1232-K1234 PolarHBondContact O-N 2.98Å; Y1232-A1235 WeakPolarHBondContact O-CB 3.48Å; Y1232-A1235 PolarHBondContact O-N 3.14Å; Y1232-A1235 VanDerWaalsContact O-N 3.16Å; Y1232-L1238 HydrophobicContact CD2-CD2 4.04Å; Y1232-L1238 HydrophobicContact CG-CD2 4.3Å |
| 1233 | S | 86.9 | Confident | 89.3 | Confident | 54 Ų | 54 | 35.4 Ų | 35.4 | 38% | 0.378 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -26.5 | 173.1 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | E1229 E1230 | E1229-S1233 WeakPolarHBondContact O-CB 3.31Å; E1229-S1233 PolarHBondContact O-N 2.77Å; E1229-S1233 PolarHBondContact O-OG 2.77Å; E1230-S1233 PolarHBondContact O-OG 2.9Å |
| 1234 | K | 85 | Confident | 89 | Confident | 65 Ų | 65 | 39.6 Ų | 39.6 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 2.3 | 177.8 | -63.8 | -62.7 | -179.6 | -172.2 | 0 | 113.9 | F27 A1209 Y1232 | F27-K1234 WeakPolarHBondContact CD1-O 3.48Å; F27-K1234 VanDerWaalsContact CE1-C 3.43Å; F27-K1234 HydrophobicContact CE1-CB 4.14Å; F27-K1234 VanDerWaalsContact CE1-O 3.3Å; F27-K1234 WeakPolarHBondContact CE1-O 3.43Å; A1209-K1234 HydrophobicContact CB-CG 4.49Å; Y1232-K1234 PolarHBondContact O-N 2.98Å |
| 1235 | A | 88.7 | Confident | 88 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | trans | -77.7 | 149.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F27 A29 Y1232 R1237 L1238 L1258 | F27-A1235 VanDerWaalsContact CD1-CA 3.42Å; F27-A1235 HydrophobicContact CD1-CB 4.1Å; F27-A1235 HydrophobicContact CD2-CB 4.34Å; F27-A1235 HydrophobicContact CE1-CB 3.98Å; F27-A1235 HydrophobicContact CE2-CB 4.21Å; F27-A1235 HydrophobicContact CG-CB 4.25Å; F27-A1235 HydrophobicContact CZ-CB 4.02Å; A29-A1235 HydrophobicContact CB-CB 3.7Å; Y1232-A1235 WeakPolarHBondContact O-CB 3.48Å; Y1232-A1235 PolarHBondContact O-N 3.14Å; Y1232-A1235 VanDerWaalsContact O-N 3.16Å; A1235-R1237 VanDerWaalsContact C-N 3.33Å; A1235-L1238 HydrophobicContact CB-CD2 4.41Å; A1235-L1258 WeakPolarHBondContact O-CB 3.2Å; A1235-L1258 WeakPolarHBondContact O-CD1 3.41Å | ||
| 1236 | D | 88.7 | Confident | 87 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -72.9 | -31.7 | 174.3 | -51.4 | -40.2 | 0 | 0 | 0 | 111 | A25 F27 L1258 S1259 | A25-D1236 HydrophobicContact CB-CB 3.71Å; F27-D1236 PolarHBondContact N-OD2 3.28Å; F27-D1236 WeakPolarHBondContact O-CB 3.29Å; F27-D1236 PolarHBondContact O-N 3.18Å; D1236-L1258 PolarHBondContact O-N 2.69Å; D1236-S1259 PolarHBondContact O-N 2.76Å |
| 1237 | R | 91.7 | Very high | 86.1 | Confident | 45 Ų | 45 | 56.6 Ų | 56.6 | 17% | 0.17 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 134.8 | -176.6 | -168.5 | 174.8 | -82.8 | 149.8 | 0.2 | 112.3 | P23 A25 F27 S28 A29 A1235 L1256 D1257 | P23-R1237 VanDerWaalsContact C-NH1 3.29Å; P23-R1237 WeakPolarHBondContact O-CD 3.06Å; P23-R1237 PolarHBondContact O-NH1 2.86Å; A25-R1237 HydrophobicContact CB-CB 3.92Å; F27-R1237 PolarHBondContact O-N 3.03Å; S28-R1237 CarbonylContact C-O 3.5Å; S28-R1237 VanDerWaalsContact CA-O 3.31Å; S28-R1237 WeakPolarHBondContact CA-O 3.5Å; A29-R1237 PolarHBondContact N-O 3.43Å; A1235-R1237 VanDerWaalsContact C-N 3.33Å; R1237-L1256 VanDerWaalsContact CG-O 3.29Å; R1237-L1256 WeakPolarHBondContact CG-O 3.29Å; R1237-D1257 IonicContact CZ-OD2 3.6Å; R1237-D1257 IonicContact NE-OD2 2.69Å; R1237-D1257 PolarHBondContact NE-OD2 2.8Å; R1237-D1257 IonicContact NH2-OD2 3.55Å; R1237-D1257 PolarHBondContact NH2-OD2 3.05Å |
| 1238 | L | 93 | Very high | 85.5 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 138.4 | 173.2 | -61 | 178.1 | 0 | 0 | 0 | 111.5 | A29 I31 Y1232 A1235 T1255 L1256 L1258 | A29-L1238 HydrophobicContact CB-CD2 3.85Å; A29-L1238 CarbonylContact O-C 3.55Å; A29-L1238 WeakPolarHBondContact O-CA 3.33Å; I31-L1238 HydrophobicContact CD1-CB 4.27Å; I31-L1238 HydrophobicContact CD1-CD1 4.03Å; I31-L1238 HydrophobicContact CD1-CD2 4.44Å; I31-L1238 HydrophobicContact CD1-CG 4.48Å; I31-L1238 HydrophobicContact CG2-CD2 4.34Å; Y1232-L1238 HydrophobicContact CD2-CD2 4.04Å; Y1232-L1238 HydrophobicContact CG-CD2 4.3Å; A1235-L1238 HydrophobicContact CB-CD2 4.41Å; L1238-T1255 WeakPolarHBondContact O-CA 3.24Å; L1238-L1256 HydrophobicContact CB-CB 4.32Å; L1238-L1256 HydrophobicContact CD1-CD2 4.38Å; L1238-L1256 PolarHBondContact N-O 3.23Å; L1238-L1256 PolarHBondContact O-N 2.7Å; L1238-L1258 HydrophobicContact CD1-CD1 3.78Å; L1238-L1258 HydrophobicContact CD1-CD2 4Å; L1238-L1258 HydrophobicContact CD1-CG 4.07Å; L1238-L1258 HydrophobicContact CD2-CD1 3.92Å; L1238-L1258 HydrophobicContact CG-CD1 3.53Å; L1238-L1258 HydrophobicContact CG-CD2 4.36Å; L1238-L1258 HydrophobicContact CG-CG 3.88Å |
| 1239 | I | 93.1 | Very high | 85 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 98.4 | 175.2 | -60.1 | 177.2 | 0 | 0 | 0 | 107.4 | V21 F24 A29 V30 I31 V1253 L1254 T1255 | V21-I1239 HydrophobicContact CG1-CD1 4.3Å; V21-I1239 HydrophobicContact CG1-CG2 3.76Å; F24-I1239 HydrophobicContact CD1-CD1 3.34Å; F24-I1239 HydrophobicContact CE1-CD1 3.2Å; F24-I1239 HydrophobicContact CG-CD1 4.4Å; F24-I1239 HydrophobicContact CZ-CD1 4.18Å; A29-I1239 PolarHBondContact O-N 2.75Å; V30-I1239 CarbonylContact C-O 3.55Å; V30-I1239 WeakPolarHBondContact CA-O 3.44Å; V30-I1239 HydrophobicContact CG2-CB 4.18Å; V30-I1239 HydrophobicContact CG2-CD1 4.44Å; I31-I1239 PolarHBondContact N-O 2.88Å; I1239-V1253 HydrophobicContact CG2-CG1 3.83Å; I1239-L1254 CarbonylContact C-O 3.34Å; I1239-L1254 WeakPolarHBondContact CA-O 3.33Å; I1239-T1255 HydrophobicContact CG1-CG2 4.47Å |
| 1240 | G | 92.4 | Very high | 85 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I31 V1253 L1254 | I31-G1240 CarbonylContact O-C 3.51Å; I31-G1240 WeakPolarHBondContact O-CA 3.26Å; G1240-V1253 CarbonylContact O-C 3.09Å; G1240-V1253 WeakPolarHBondContact O-CA 3.45Å; G1240-L1254 PolarHBondContact N-O 2.89Å; G1240-L1254 PolarHBondContact O-N 2.97Å |
| 1241 | I | 91.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.1 | 173.1 | -62.2 | 170.6 | 0 | 0 | 0 | 109.1 | V30 I31 S36 K38 L41 R1252 V1253 | V30-I1241 HydrophobicContact CG1-CD1 3.52Å; V30-I1241 HydrophobicContact CG1-CG1 4.27Å; I31-I1241 PolarHBondContact O-N 3.24Å; S36-I1241 WeakPolarHBondContact CB-O 3.19Å; S36-I1241 WeakPolarHBondContact O-CG2 3.19Å; S36-I1241 PolarHBondContact OG-O 2.85Å; K38-I1241 HydrophobicContact CB-CD1 4.45Å; K38-I1241 HydrophobicContact CG-CB 4.23Å; K38-I1241 HydrophobicContact CG-CD1 4.48Å; L41-I1241 HydrophobicContact CB-CD1 4.42Å; L41-I1241 HydrophobicContact CD2-CD1 4.32Å; I1241-R1252 WeakPolarHBondContact CA-O 3.4Å; I1241-V1253 HydrophobicContact CG1-CG2 4.18Å |
| 1242 | C | 90.1 | Very high | 85.3 | Confident | 46 Ų | 46 | 54.1 Ų | 54.1 | 31% | 0.311 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 145.9 | 178 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | S1251 R1252 | C1242-S1251 WeakPolarHBondContact O-CA 3.4Å; C1242-R1252 PolarHBondContact N-O 2.96Å; C1242-R1252 PolarHBondContact O-N 3.16Å |
| 1243 | S | 86.7 | Confident | 85.4 | Confident | 57 Ų | 57 | 53 Ų | 53 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133.6 | 171.2 | -172 | 0 | 0 | 0 | 0 | 110.2 | L1250 | S1243-L1250 WeakPolarHBondContact CA-O 3.28Å |
| 1244 | Q | 84.5 | Confident | 85.6 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.3 | 169.9 | -172.2 | 176 | 2.2 | 0 | 0 | 109 | G1246 L1250 R1252 | Q1244-G1246 PolarHBondContact O-N 3.22Å; Q1244-L1250 HydrophobicContact CB-CB 4.47Å; Q1244-L1250 PolarHBondContact N-O 2.83Å; Q1244-R1252 VanDerWaalsContact OE1-CZ 3.26Å |
| 1245 | A | 70.7 | Confident | 85.9 | Confident | 105 Ų | 105 | 56.3 Ų | 56.3 | 87% | 0.868 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 127.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1246 | G | 71.4 | Confident | 86 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 62% | 0.619 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -166.6 | -178 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q1244 L1248 | Q1244-G1246 PolarHBondContact O-N 3.22Å; G1246-L1248 PolarHBondContact O-N 3.01Å; G1246-L1248 VanDerWaalsContact O-N 3.17Å |
| 1247 | Q | 70.3 | Confident | 86.1 | Confident | 194 Ų | 194 | 59.2 Ų | 59.2 | 91% | 0.907 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -59.6 | -26 | 178.5 | -73.5 | -176.7 | -0.3 | 0 | 0 | 113.6 | ||
| 1248 | L | 74.3 | Confident | 85.8 | Confident | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -130.1 | 139.8 | 171.9 | -76.7 | 154.9 | 0 | 0 | 0 | 106.2 | Y66 V70 G1246 L1250 | Y66-L1248 HydrophobicContact CE1-CB 4.28Å; Y66-L1248 HydrophobicContact CE1-CD1 3.85Å; Y66-L1248 WeakPolarHBondContact OH-CB 3.25Å; V70-L1248 HydrophobicContact CB-CD2 3.91Å; V70-L1248 HydrophobicContact CG1-CD2 4.21Å; V70-L1248 HydrophobicContact CG2-CD2 3.7Å; G1246-L1248 PolarHBondContact O-N 3.01Å; G1246-L1248 VanDerWaalsContact O-N 3.17Å; L1248-L1250 VanDerWaalsContact O-N 3.17Å; L1248-L1250 PolarHBondContact O-N 3.49Å |
| 1249 | A | 77.3 | Confident | 85.3 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | trans | -65.2 | 115 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1250 | L | 88 | Confident | 84.7 | Confident | 37 Ų | 37 | 69.8 Ų | 69.8 | 19% | 0.194 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 118.8 | 179.5 | 177.4 | 67.7 | 0 | 0 | 0 | 109.7 | K16 Y66 S1243 Q1244 L1248 | K16-L1250 HydrophobicContact CB-CD1 3.38Å; Y66-L1250 HydrophobicContact CE2-CD1 4.38Å; S1243-L1250 WeakPolarHBondContact CA-O 3.28Å; Q1244-L1250 HydrophobicContact CB-CB 4.47Å; Q1244-L1250 PolarHBondContact N-O 2.83Å; L1248-L1250 VanDerWaalsContact O-N 3.17Å; L1248-L1250 PolarHBondContact O-N 3.49Å |
| 1251 | S | 90 | Very high | 84.2 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 4% | 0.042 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 135.6 | 172.9 | -61 | 0 | 0 | 0 | 0 | 110.6 | S14 S36 C1242 | S14-S1251 VanDerWaalsContact CB-OG 3.29Å; S14-S1251 WeakPolarHBondContact CB-OG 3.39Å; S14-S1251 PolarHBondContact O-N 3.23Å; S14-S1251 PolarHBondContact OG-OG 2.97Å; S36-S1251 PolarHBondContact O-OG 3.25Å; C1242-S1251 WeakPolarHBondContact O-CA 3.4Å |
| 1252 | R | 88.4 | Confident | 83 | Confident | 137 Ų | 137 | 84.1 Ų | 84.1 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 155.7 | 168.7 | -67.2 | -169.4 | -177.3 | -153.5 | 0.3 | 110 | I1241 C1242 Q1244 | I1241-R1252 WeakPolarHBondContact CA-O 3.4Å; C1242-R1252 PolarHBondContact N-O 2.96Å; C1242-R1252 PolarHBondContact O-N 3.16Å; Q1244-R1252 VanDerWaalsContact OE1-CZ 3.26Å |
| 1253 | V | 91.2 | Very high | 81.6 | Confident | 28 Ų | 28 | 86.3 Ų | 86.3 | 17% | 0.17 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.5 | -178.4 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | F15 V21 I1239 G1240 I1241 | F15-V1253 HydrophobicContact CE1-CG2 3.81Å; V21-V1253 HydrophobicContact CG1-CG1 4.22Å; V21-V1253 HydrophobicContact CG2-CB 4.48Å; V21-V1253 HydrophobicContact CG2-CG1 4.36Å; V21-V1253 HydrophobicContact CG2-CG2 3.68Å; I1239-V1253 HydrophobicContact CG2-CG1 3.83Å; G1240-V1253 CarbonylContact O-C 3.09Å; G1240-V1253 WeakPolarHBondContact O-CA 3.45Å; I1241-V1253 HydrophobicContact CG1-CG2 4.18Å |
| 1254 | L | 91.5 | Very high | 79.9 | Confident | 113 Ų | 113 | 89.9 Ų | 89.9 | 59% | 0.592 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 147.2 | 173.8 | -60.9 | 169.6 | 0 | 0 | 0 | 107.3 | I1239 G1240 | I1239-L1254 CarbonylContact C-O 3.34Å; I1239-L1254 WeakPolarHBondContact CA-O 3.33Å; G1240-L1254 PolarHBondContact N-O 2.89Å; G1240-L1254 PolarHBondContact O-N 2.97Å |
| 1255 | T | 90.8 | Very high | 78 | Confident | 75 Ų | 75 | 89.9 Ų | 89.9 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.2 | 179 | 56 | 0 | 0 | 0 | 0 | 109.7 | L1238 I1239 | L1238-T1255 WeakPolarHBondContact O-CA 3.24Å; I1239-T1255 HydrophobicContact CG1-CG2 4.47Å |
| 1256 | L | 91 | Very high | 76.4 | Confident | 80 Ų | 80 | 91.9 Ų | 91.9 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 125.3 | 175.3 | 178.9 | 66.6 | 0 | 0 | 0 | 108.2 | R1237 L1238 L1258 Y1261 | R1237-L1256 VanDerWaalsContact CG-O 3.29Å; R1237-L1256 WeakPolarHBondContact CG-O 3.29Å; L1238-L1256 HydrophobicContact CB-CB 4.32Å; L1238-L1256 HydrophobicContact CD1-CD2 4.38Å; L1238-L1256 PolarHBondContact N-O 3.23Å; L1238-L1256 PolarHBondContact O-N 2.7Å; L1256-L1258 HydrophobicContact CD2-CD2 4.3Å; L1256-Y1261 HydrophobicContact CD1-CE2 4.42Å |
| 1257 | D | 89.4 | Confident | 74.6 | Confident | 33 Ų | 33 | 96.7 Ų | 96.7 | 18% | 0.176 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124 | 174.1 | -151.2 | -41.5 | 0 | 0 | 0 | 108.9 | R1237 S1259 Y1261 | R1237-D1257 IonicContact CZ-OD2 3.6Å; R1237-D1257 IonicContact NE-OD2 2.69Å; R1237-D1257 PolarHBondContact NE-OD2 2.8Å; R1237-D1257 IonicContact NH2-OD2 3.55Å; R1237-D1257 PolarHBondContact NH2-OD2 3.05Å; D1257-S1259 WeakPolarHBondContact OD1-CB 3.49Å; D1257-S1259 PolarHBondContact OD1-N 2.94Å; D1257-S1259 VanDerWaalsContact OD1-N 3.16Å; D1257-S1259 PolarHBondContact OD1-OG 3.36Å; D1257-Y1261 VanDerWaalsContact O-CE2 3.3Å; D1257-Y1261 WeakPolarHBondContact O-CE2 3.37Å |
| 1258 | L | 87.3 | Confident | 72.8 | Confident | 41 Ų | 41 | 95.1 Ų | 95.1 | 22% | 0.215 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -91.6 | -15.8 | 178.7 | -71.7 | 179.9 | 0 | 0 | 0 | 112.1 | A1235 D1236 L1238 L1256 E1260 Y1261 | A1235-L1258 WeakPolarHBondContact O-CB 3.2Å; A1235-L1258 WeakPolarHBondContact O-CD1 3.41Å; D1236-L1258 PolarHBondContact O-N 2.69Å; L1238-L1258 HydrophobicContact CD1-CD1 3.78Å; L1238-L1258 HydrophobicContact CD1-CD2 4Å; L1238-L1258 HydrophobicContact CD1-CG 4.07Å; L1238-L1258 HydrophobicContact CD2-CD1 3.92Å; L1238-L1258 HydrophobicContact CG-CD1 3.53Å; L1238-L1258 HydrophobicContact CG-CD2 4.36Å; L1238-L1258 HydrophobicContact CG-CG 3.88Å; L1256-L1258 HydrophobicContact CD2-CD2 4.3Å; L1258-E1260 PolarHBondContact O-N 2.85Å; L1258-Y1261 VanDerWaalsContact O-N 3.12Å; L1258-Y1261 PolarHBondContact O-N 3.41Å; L1258-Y1261 HydrophobicContact CD2-CD2 4.41Å |
| 1259 | S | 80.9 | Confident | 70.9 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -11.9 | 179.3 | 65.7 | 0 | 0 | 0 | 0 | 114.3 | D1236 D1257 | D1236-S1259 PolarHBondContact O-N 2.76Å; D1257-S1259 WeakPolarHBondContact OD1-CB 3.49Å; D1257-S1259 PolarHBondContact OD1-N 2.94Å; D1257-S1259 VanDerWaalsContact OD1-N 3.16Å; D1257-S1259 PolarHBondContact OD1-OG 3.36Å |
| 1260 | E | 81.3 | Confident | 68.9 | Low | 153 Ų | 153 | 102.1 Ų | 102.1 | 72% | 0.715 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -6.7 | 177.3 | -60.8 | -177.7 | 175.3 | 0 | 0 | 113.5 | L1258 | L1258-E1260 PolarHBondContact O-N 2.85Š|
| 1261 | Y | 82.2 | Confident | 66.5 | Low | 143 Ų | 143 | 109.5 Ų | 109.5 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -111.4 | 139.3 | -176.1 | -58.1 | -90.7 | 0 | 0 | 0 | 111.1 | L1256 D1257 L1258 | L1256-Y1261 HydrophobicContact CD1-CE2 4.42Å; D1257-Y1261 VanDerWaalsContact O-CE2 3.3Å; D1257-Y1261 WeakPolarHBondContact O-CE2 3.37Å; L1258-Y1261 VanDerWaalsContact O-N 3.12Å; L1258-Y1261 PolarHBondContact O-N 3.41Å; L1258-Y1261 HydrophobicContact CD2-CD2 4.41Å |
| 1262 | E | 65.9 | Low | 64 | Low | 177 Ų | 177 | 115.1 Ų | 115.1 | 83% | 0.827 | 61% | 0.605 | S | S | * | * | trans | -74.4 | 132.9 | 177.4 | -68.1 | 179.4 | 171.4 | 0 | 0 | 111.3 | T1264 | E1262-T1264 PolarHBondContact O-N 3.27Š| ||
| 1263 | D | 60.8 | Low | 61.3 | Low | 92 Ų | 92 | 118 Ų | 118 | 49% | 0.492 | 62% | 0.624 | S | S | . | * | trans | -67.1 | 94.1 | 173.3 | -88.5 | -33.6 | 0 | 0 | 0 | 108.3 | R1213 T1265 | R1213-D1263 IonicContact CZ-OD2 3.35Å; R1213-D1263 IonicContact NH1-OD2 3.99Å; R1213-D1263 IonicContact NH2-OD2 3.79Å; R1213-D1263 PolarHBondContact NH2-OD2 2.96Å; D1263-T1265 PolarHBondContact O-N 3.15Å | ||
| 1264 | T | 51.9 | Low | 58.6 | Low | 132 Ų | 132 | 122.2 Ų | 122.2 | 81% | 0.81 | 65% | 0.65 | S | S | * | * | trans | -82.9 | 20.9 | -178.2 | 40.1 | 0 | 0 | 0 | 0 | 113.7 | E1262 | E1262-T1264 PolarHBondContact O-N 3.27Š| ||
| 1265 | T | 44.6 | Very low | 55.9 | Low | 89 Ų | 89 | 126.2 Ų | 126.2 | 55% | 0.546 | 67% | 0.665 | S | S | . | * | trans | -125.6 | 71.6 | -174 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | D1263 | D1263-T1265 PolarHBondContact O-N 3.15Š| ||
| 1266 | D | 36.1 | Very low | 53.3 | Low | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -152.2 | 99.4 | 154.7 | -80.3 | -38.4 | 0 | 0 | 0 | 103.8 | ||
| 1267 | D | 34.6 | Very low | 50.8 | Low | 161 Ų | 161 | 136.1 Ų | 136.1 | 86% | 0.861 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 142.6 | -7.9 | 156.3 | -70.6 | -23.7 | 0 | 0 | 0 | 119.3 | ||
| 1268 | D | 31.6 | Very low | 48.4 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | trans | -125.3 | 92.2 | -177.8 | -71.1 | -42.4 | 0 | 0 | 0 | 114.7 | ||||
| 1269 | D | 35.1 | Very low | 45.9 | Very low | 136 Ų | 136 | 146.3 Ų | 146.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -93.2 | 112.1 | 162.6 | -160.4 | -0.5 | 0 | 0 | 0 | 109.2 | F1271 | D1269-F1271 PolarHBondContact O-N 2.84Š| ||
| 1270 | P | 34.1 | Very low | 43.9 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 30.3 | -168.9 | -10.7 | 27.7 | 0 | 0 | 0 | 115.8 | ||
| 1271 | F | 37.8 | Very low | 42 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | 23.4 | -176 | -88.4 | -78.5 | 0 | 0 | 0 | 115.4 | D1269 | D1269-F1271 PolarHBondContact O-N 2.84Š|
| 1272 | V | 37.3 | Very low | 40 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -119.1 | 120.8 | 169.3 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | V1274 | V1272-V1274 PolarHBondContact O-N 3.38Š|
| 1273 | E | 33.1 | Very low | 38.7 | Very low | 196 Ų | 196 | 150.9 Ų | 150.9 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -52.9 | 128.3 | 177.7 | -72.9 | 174.5 | 148.2 | 0 | 0 | 111.2 | ||||
| 1274 | V | 33.4 | Very low | 37.8 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 72% | 0.715 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 114.7 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 108.9 | V1272 E1276 | V1272-V1274 PolarHBondContact O-N 3.38Å; V1274-E1276 HydrophobicContact CG1-CG 3.65Å | ||
| 1275 | E | 34.9 | Very low | 37.2 | Very low | 196 Ų | 196 | 150.5 Ų | 150.5 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -107 | 110.7 | 144.2 | -82.6 | -169.8 | 162.4 | 0 | 0 | 107.4 | E1277 | E1275-E1277 PolarHBondContact O-N 3.44Š| ||
| 1276 | E | 36.8 | Very low | 37.4 | Very low | 163 Ų | 163 | 151.5 Ų | 151.5 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -64 | 115.4 | 174.4 | -70.2 | 168.2 | 150.1 | 0 | 0 | 110 | V1274 T1278 | V1274-E1276 HydrophobicContact CG1-CG 3.65Å; E1276-T1278 VanDerWaalsContact C-N 3.33Å; E1276-T1278 PolarHBondContact O-N 3.17Å; E1276-T1278 VanDerWaalsContact O-N 3.11Å | ||
| 1277 | E | 37 | Very low | 38.1 | Very low | 201 Ų | 201 | 148.7 Ų | 148.7 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | trans | -72.9 | 94.7 | 154.3 | -80.3 | -172.3 | 163.2 | 0 | 0 | 108.1 | E1275 E1279 | E1275-E1277 PolarHBondContact O-N 3.44Å; E1277-E1279 PolarHBondContact O-N 2.93Å | ||
| 1278 | T | 39 | Very low | 38.3 | Very low | 109 Ų | 109 | 155.5 Ų | 155.5 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | trans | -60.4 | 126.1 | 164.7 | 37.9 | 0 | 0 | 0 | 0 | 111 | E1276 V1280 | E1276-T1278 VanDerWaalsContact C-N 3.33Å; E1276-T1278 PolarHBondContact O-N 3.17Å; E1276-T1278 VanDerWaalsContact O-N 3.11Å; T1278-V1280 PolarHBondContact O-N 3.1Å | ||
| 1279 | E | 36.1 | Very low | 38.7 | Very low | 178 Ų | 178 | 155.3 Ų | 155.3 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -44.9 | 121.9 | 156.4 | -66.6 | 177.7 | 143 | 0 | 0 | 110.7 | E1277 | E1277-E1279 PolarHBondContact O-N 2.93Š| ||
| 1280 | V | 38.8 | Very low | 38.8 | Very low | 134 Ų | 134 | 156.3 Ų | 156.3 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | -127.2 | 103.4 | 158.3 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | T1278 | T1278-V1280 PolarHBondContact O-N 3.1Š| ||
| 1281 | F | 41.4 | Very low | 39.1 | Very low | 179 Ų | 179 | 158.6 Ų | 158.6 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -51.9 | 140.7 | 161.2 | -96.7 | -107.3 | 0 | 0 | 0 | 111.6 | E1283 | F1281-E1283 PolarHBondContact O-N 3.17Š| ||
| 1282 | D | 39 | Very low | 39.2 | Very low | 164 Ų | 164 | 156.6 Ų | 156.6 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -44 | 116.2 | 163.2 | -84.7 | -44.1 | 0 | 0 | 0 | 112.1 | ||||
| 1283 | E | 40 | Very low | 39.3 | Very low | 181 Ų | 181 | 158.7 Ų | 158.7 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -93.7 | 132.7 | 154.4 | -87.7 | -168.9 | 162.9 | 0 | 0 | 109.7 | F1281 | F1281-E1283 PolarHBondContact O-N 3.17Š| ||
| 1284 | P | 40.5 | Very low | 39.7 | Very low | 114 Ų | 114 | 156.2 Ų | 156.2 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | trans | -84.8 | 133.6 | 154.3 | 32.5 | -24.8 | 0 | 0 | 0 | 109.7 | ||||
| 1285 | S | 41.1 | Very low | 40.2 | Very low | 102 Ų | 102 | 158.9 Ų | 158.9 | 71% | 0.713 | 83% | 0.828 | S | S | * | * | trans | 86.1 | 113.5 | 151.2 | 74.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1286 | S | 47.2 | Very low | 40.6 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | 85.8 | 119.6 | 126.5 | 74.7 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1287 | A | 51.7 | Low | 40.9 | Very low | 88 Ų | 88 | 155.5 Ų | 155.5 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | trans | 70.2 | 100.9 | 133.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1288 | Y | 38.9 | Very low | 41.2 | Very low | 305 Ų | 305 | 151.4 Ų | 151.4 | 100% | 1.196 | 82% | 0.816 | S | S | * | * | -167.4 | 0 | 102.4 | -110.8 | -80.3 | 0 | 0 | 0 | 110.8 |
Retrieved 1,288 of 1,288 residues in 581 ms
(Link to these results)