| 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 | 33.7 | Very low | 47.2 | Very low | 248 Ų | 248 | 133 Ų | 133 | 100% | 1.222 | 77% | 0.767 | S | S | * | * | 0 | 103.4 | 0 | -73 | -156.6 | -88.6 | 0 | 0 | 107.5 | |||||
| 2 | A | 34.5 | Very low | 50.8 | Low | 106 Ų | 106 | 123.9 Ų | 123.9 | 88% | 0.876 | 72% | 0.715 | S | S | * | * | trans | -80.3 | 117.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | G4 | A2-G4 PolarHBondContact O-N 2.84Å; A2-G4 VanDerWaalsContact O-N 3.16Å | ||
| 3 | A | 36.6 | Very low | 54 | Low | 103 Ų | 103 | 114.4 Ų | 114.4 | 85% | 0.851 | 66% | 0.66 | S | S | * | * | trans | -72.2 | 101.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q5 | A3-Q5 PolarHBondContact O-N 3.37Š| ||
| 4 | G | 35.1 | Very low | 56.7 | Low | 65 Ų | 65 | 106.5 Ų | 106.5 | 67% | 0.67 | 62% | 0.615 | S | S | * | * | trans | -63.3 | 129.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | A2 N6 | A2-G4 PolarHBondContact O-N 2.84Å; A2-G4 VanDerWaalsContact O-N 3.16Å; G4-N6 PolarHBondContact O-N 3.48Å | ||
| 5 | Q | 37.3 | Very low | 59.2 | Low | 193 Ų | 193 | 99.4 Ų | 99.4 | 90% | 0.902 | 57% | 0.574 | S | S | * | * | trans | -59.5 | 102 | 167.5 | -66.8 | 163 | 11.6 | 0 | 0 | 107.9 | A3 G7 | A3-Q5 PolarHBondContact O-N 3.37Å; Q5-G7 PolarHBondContact O-N 2.86Å | ||
| 6 | N | 37.5 | Very low | 61.4 | Low | 149 Ų | 149 | 97.2 Ų | 97.2 | 80% | 0.797 | 55% | 0.554 | S | S | * | * | trans | -75.5 | 67.1 | 166.2 | -101.4 | 6.4 | 0 | 0 | 0 | 108.8 | G4 H8 | G4-N6 PolarHBondContact O-N 3.48Å; N6-H8 PolarHBondContact O-N 2.96Å | ||
| 7 | G | 38.8 | Very low | 63.4 | Low | 63 Ų | 63 | 91.5 Ų | 91.5 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | trans | -87.2 | 84.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q5 E9 | Q5-G7 PolarHBondContact O-N 2.86Å; G7-E9 VanDerWaalsContact C-N 3.26Å; G7-E9 PolarHBondContact O-N 3.4Å | ||
| 8 | H | 42.8 | Very low | 65.2 | Low | 165 Ų | 165 | 87.9 Ų | 87.9 | 76% | 0.764 | 50% | 0.499 | S | S | * | . | trans | -66.7 | 97.4 | 162.2 | -88.8 | -89.7 | 0 | 0 | 0 | 106.3 | N6 E10 | N6-H8 PolarHBondContact O-N 2.96Å; H8-E10 PolarHBondContact O-N 2.79Å | ||
| 9 | E | 56.2 | Low | 66.7 | Low | 187 Ų | 187 | 83.3 Ų | 83.3 | 87% | 0.874 | 47% | 0.473 | S | S | * | . | trans | -54.6 | 110 | 163.9 | -73.3 | -176.9 | 155.8 | 0 | 0 | 107 | G7 W11 | G7-E9 VanDerWaalsContact C-N 3.26Å; G7-E9 PolarHBondContact O-N 3.4Å; E9-W11 PolarHBondContact O-N 2.85Å | ||
| 10 | E | 78.9 | Confident | 68 | Low | 151 Ų | 151 | 81.5 Ų | 81.5 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | trans | -67.3 | 104.7 | 178.7 | -164 | 177.6 | -173.7 | 0 | 0 | 107.1 | H8 V12 | H8-E10 PolarHBondContact O-N 2.79Å; E10-V12 HydrophobicContact CB-CG2 4.43Å; E10-V12 HydrophobicContact CG-CG2 3.93Å; E10-V12 PolarHBondContact O-N 3.38Å | ||
| 11 | W | 88.1 | Confident | 69.1 | Low | 33 Ų | 33 | 78.3 Ų | 78.3 | 13% | 0.125 | 44% | 0.443 | C | S | . | . | trans | -66.1 | 108.8 | 179.1 | -171.7 | 94.1 | 0 | 0 | 0 | 108 | E9 F77 G79 R80 C83 L136 I139 L140 | E9-W11 PolarHBondContact O-N 2.85Å; W11-F77 HydrophobicContact CH2-CB 4.25Å; W11-F77 HydrophobicContact CZ3-CB 3.61Å; W11-G79 WeakPolarHBondContact CZ3-O 3.49Å; W11-G79 PolarHBondContact O-N 3.44Å; W11-R80 HydrophobicContact CB-CB 4.45Å; W11-R80 HydrophobicContact CD2-CB 3.84Å; W11-R80 HydrophobicContact CE3-CB 4.36Å; W11-R80 VanDerWaalsContact CE3-N 3.33Å; W11-R80 HydrophobicContact CG-CB 3.87Å; W11-C83 HydrophobicContact CH2-CB 3.42Å; W11-C83 VanDerWaalsContact CH2-CB 3.42Å; W11-C83 VanDerWaalsContact CH2-SG 3.56Å; W11-C83 HydrophobicContact CZ2-CB 4.45Å; W11-C83 HydrophobicContact CZ3-CB 3.53Å; W11-L136 HydrophobicContact CH2-CD2 4.07Å; W11-L136 HydrophobicContact CZ2-CB 4.4Å; W11-L136 HydrophobicContact CZ2-CD2 3.92Å; W11-I139 HydrophobicContact CH2-CB 4.49Å; W11-I139 HydrophobicContact CH2-CG2 3.89Å; W11-I139 HydrophobicContact CZ2-CG2 4.49Å; W11-L140 HydrophobicContact CD2-CD1 4.36Å; W11-L140 HydrophobicContact CG-CD1 4.14Å; W11-L140 HydrophobicContact CZ2-CB 4.14Å | ||
| 12 | V | 90.5 | Very high | 71.6 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 15% | 0.145 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 129.5 | 178.1 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | E10 R76 F77 P144 | E10-V12 HydrophobicContact CB-CG2 4.43Å; E10-V12 HydrophobicContact CG-CG2 3.93Å; E10-V12 PolarHBondContact O-N 3.38Å; V12-R76 HydrophobicContact CG1-CG 4.08Å; V12-F77 WeakPolarHBondContact CA-O 3.27Å; V12-P144 HydrophobicContact CG1-CG 3.49Å; V12-P144 VanDerWaalsContact CG1-CG 3.49Å |
| 13 | G | 91.6 | Very high | 73.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 170.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R76 F77 I139 Q142 | G13-R76 WeakPolarHBondContact O-CA 3.43Å; G13-F77 PolarHBondContact N-O 3.35Å; G13-F77 PolarHBondContact O-N 3.39Å; G13-I139 VanDerWaalsContact CA-O 3.23Å; G13-I139 WeakPolarHBondContact CA-O 3.31Å; G13-Q142 CarbonylContact C-O 3.6Å |
| 14 | S | 92.5 | Very high | 75.4 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.028 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.3 | -178 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | L75 I139 Q142 | S14-L75 WeakPolarHBondContact CA-O 3.37Å; S14-L75 WeakPolarHBondContact CB-O 3.25Å; S14-I139 PolarHBondContact N-O 3.35Å; S14-Q142 PolarHBondContact N-O 2.92Å; S14-Q142 WeakPolarHBondContact O-CB 3.36Å; S14-Q142 WeakPolarHBondContact OG-CB 3.37Å; S14-Q142 PolarHBondContact OG-O 2.67Å |
| 15 | A | 94.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 162.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L75 F77 L118 R119 I139 | A15-L75 PolarHBondContact N-O 3.29Å; A15-L75 VanDerWaalsContact N-O 3.08Å; A15-L75 PolarHBondContact O-N 2.81Å; A15-F77 HydrophobicContact CB-CE2 3.88Å; A15-L118 HydrophobicContact CB-CD1 4.21Å; A15-R119 CarbonylContact C-O 3.59Å; A15-R119 WeakPolarHBondContact CA-O 3.35Å; A15-R119 WeakPolarHBondContact CB-O 3.42Å; A15-I139 HydrophobicContact CB-CG1 4.3Å |
| 16 | Y | 94.4 | Very high | 79.4 | Confident | 64 Ų | 64 | 68.4 Ų | 68.4 | 25% | 0.251 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.7 | 175.2 | -64.4 | -85.2 | 0 | 0 | 0 | 109.4 | I72 V73 Q74 R119 | Y16-I72 HydrophobicContact CD1-CG2 3.91Å; Y16-I72 HydrophobicContact CG-CG2 4.34Å; Y16-V73 WeakPolarHBondContact CA-O 3.47Å; Y16-Q74 HydrophobicContact CD1-CB 3.98Å; Y16-Q74 HydrophobicContact CD1-CG 4.09Å; Y16-Q74 HydrophobicContact CE1-CB 3.77Å; Y16-Q74 HydrophobicContact CE1-CG 3.58Å; Y16-Q74 PolarHBondContact OH-NE2 3.07Å; Y16-R119 PolarHBondContact N-O 3.43Å; Y16-R119 PolarHBondContact O-N 2.97Å |
| 17 | L | 95.7 | Very high | 81.6 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113 | 173.7 | 178.6 | 68.9 | 0 | 0 | 0 | 108.9 | V19 L49 I72 V73 L75 Y90 L95 L99 L116 L118 | L17-V19 HydrophobicContact CD2-CG2 4.2Å; L17-V19 HydrophobicContact CG-CG2 4.03Å; L17-L49 HydrophobicContact CD2-CD2 4.43Å; L17-I72 CarbonylContact O-C 3.5Å; L17-I72 WeakPolarHBondContact O-CA 3.43Å; L17-V73 HydrophobicContact CB-CB 4.41Å; L17-V73 PolarHBondContact N-O 3.17Å; L17-V73 PolarHBondContact O-N 3.37Å; L17-L75 HydrophobicContact CB-CD1 4Å; L17-L75 HydrophobicContact CD2-CD1 4.46Å; L17-Y90 HydrophobicContact CD1-CD2 4.34Å; L17-Y90 HydrophobicContact CD1-CE2 3.71Å; L17-L95 HydrophobicContact CD2-CD2 4.07Å; L17-L99 HydrophobicContact CD2-CD1 4.46Å; L17-L116 HydrophobicContact CD1-CB 4.33Å; L17-L118 HydrophobicContact CB-CD1 4.28Å; L17-L118 HydrophobicContact CD1-CD1 4.16Å |
| 18 | F | 94.8 | Very high | 83.8 | Confident | 26 Ų | 26 | 60.6 Ų | 60.6 | 11% | 0.114 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130 | 174.7 | -62.4 | -108.4 | 0 | 0 | 0 | 108.1 | I72 L116 E117 R119 | F18-I72 HydrophobicContact CD1-CB 4.47Å; F18-I72 HydrophobicContact CD1-CD1 3.84Å; F18-I72 HydrophobicContact CD1-CG1 3.61Å; F18-I72 HydrophobicContact CD1-CG2 4.24Å; F18-I72 HydrophobicContact CD2-CG2 4.31Å; F18-I72 HydrophobicContact CE1-CB 4.5Å; F18-I72 HydrophobicContact CE1-CD1 3.37Å; F18-I72 HydrophobicContact CE1-CG1 3.67Å; F18-I72 HydrophobicContact CE1-CG2 4.05Å; F18-I72 HydrophobicContact CE2-CG2 4.07Å; F18-I72 HydrophobicContact CG-CG1 4.34Å; F18-I72 HydrophobicContact CG-CG2 4.36Å; F18-I72 HydrophobicContact CZ-CD1 4.08Å; F18-I72 HydrophobicContact CZ-CG1 4.4Å; F18-I72 HydrophobicContact CZ-CG2 3.94Å; F18-L116 VanDerWaalsContact O-CA 3.27Å; F18-L116 WeakPolarHBondContact O-CA 3.5Å; F18-E117 HydrophobicContact CB-CB 3.98Å; F18-E117 HydrophobicContact CB-CG 4.43Å; F18-E117 HydrophobicContact CD2-CB 4.42Å; F18-E117 HydrophobicContact CG-CB 4.42Å; F18-E117 PolarHBondContact N-O 3.05Å; F18-E117 PolarHBondContact O-N 2.77Å; F18-R119 HydrophobicContact CD2-CG 4.07Å; F18-R119 HydrophobicContact CE2-CB 3.95Å; F18-R119 VanDerWaalsContact CE2-CD 3.48Å; F18-R119 HydrophobicContact CE2-CG 3.64Å; F18-R119 HydrophobicContact CZ-CG 4.47Å |
| 19 | V | 94.7 | Very high | 85.9 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118.6 | -178.9 | -171.2 | 0 | 0 | 0 | 0 | 108 | L17 L28 L71 L103 L114 L116 | L17-V19 HydrophobicContact CD2-CG2 4.2Å; L17-V19 HydrophobicContact CG-CG2 4.03Å; V19-L28 HydrophobicContact CB-CD1 4.43Å; V19-L28 HydrophobicContact CG1-CD1 3.78Å; V19-L71 PolarHBondContact N-O 2.95Å; V19-L71 PolarHBondContact O-N 3.27Å; V19-L103 HydrophobicContact CG1-CD1 4.4Å; V19-L114 HydrophobicContact CG1-CD1 4.46Å; V19-L114 HydrophobicContact CG1-CD2 4.16Å; V19-L116 HydrophobicContact CB-CD2 4.27Å; V19-L116 HydrophobicContact CG1-CD2 3.92Å; V19-L116 HydrophobicContact CG2-CD2 3.97Å |
| 20 | E | 93 | Very high | 87.4 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 22% | 0.22 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 141.3 | -179.8 | -169.8 | 171 | -168.6 | 0 | 0 | 110.3 | P69 Q70 L114 Q115 | E20-P69 HydrophobicContact CG-CG 4.46Å; E20-P69 VanDerWaalsContact OE1-CG 3.26Å; E20-P69 WeakPolarHBondContact OE1-CG 3.38Å; E20-Q70 HydrophobicContact CB-CG 3.89Å; E20-Q70 HydrophobicContact CG-CG 3.92Å; E20-Q70 PolarHBondContact OE2-NE2 3.41Å; E20-L114 CarbonylContact O-C 3.33Å; E20-L114 VanDerWaalsContact O-CA 3.29Å; E20-L114 WeakPolarHBondContact O-CA 3.38Å; E20-Q115 PolarHBondContact N-O 2.57Å; E20-Q115 PolarHBondContact O-N 3.02Å |
| 21 | S | 90.9 | Very high | 87.8 | Confident | 14 Ų | 14 | 40.9 Ų | 40.9 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 134.7 | 168 | -165.7 | 0 | 0 | 0 | 0 | 110.5 | L23 V26 V112 A113 | S21-L23 PolarHBondContact O-N 2.94Å; S21-L23 PolarHBondContact OG-N 3.46Å; S21-V26 WeakPolarHBondContact CB-O 3.49Å; S21-V112 WeakPolarHBondContact OG-CG1 3.49Å; S21-A113 WeakPolarHBondContact CA-O 3.49Å; S21-A113 PolarHBondContact OG-O 3.16Å |
| 22 | S | 85.6 | Confident | 87.8 | Confident | 56 Ų | 56 | 39.4 Ų | 39.4 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -80.8 | 3.8 | 171.6 | -47.1 | 0 | 0 | 0 | 0 | 113.3 | A113 Q115 | S22-A113 PolarHBondContact N-O 3.07Å; S22-Q115 WeakPolarHBondContact OG-CG 3.5Å; S22-Q115 PolarHBondContact OG-NE2 3.24Å |
| 23 | L | 78.6 | Confident | 87.8 | Confident | 72 Ų | 72 | 40.1 Ų | 40.1 | 38% | 0.377 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -101.4 | 117 | 177.3 | -63.2 | 174.4 | 0 | 0 | 0 | 108.8 | S21 K25 V26 | S21-L23 PolarHBondContact O-N 2.94Å; S21-L23 PolarHBondContact OG-N 3.46Å; L23-K25 PolarHBondContact O-N 3.41Å; L23-V26 HydrophobicContact CB-CB 4.38Å; L23-V26 HydrophobicContact CB-CG2 4.25Å; L23-V26 HydrophobicContact CD1-CG2 4.39Å; L23-V26 PolarHBondContact O-N 3.02Å |
| 24 | D | 73.1 | Confident | 87.6 | Confident | 164 Ų | 164 | 45.1 Ų | 45.1 | 88% | 0.877 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -21.4 | 179.9 | -59.5 | -35.2 | 0 | 0 | 0 | 113.7 | ||
| 25 | K | 74.9 | Confident | 87.1 | Confident | 202 Ų | 202 | 50 Ų | 50 | 88% | 0.878 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -12.9 | 178.5 | -64.3 | -174.9 | 179.5 | -178.5 | 0 | 113.9 | L23 | L23-K25 PolarHBondContact O-N 3.41Š|
| 26 | V | 80.5 | Confident | 86.4 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 9% | 0.085 | 31% | 0.306 | C | S | . | . | trans | -120.6 | 84.7 | -173.3 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | S21 L23 L28 L107 Q109 | S21-V26 WeakPolarHBondContact CB-O 3.49Å; L23-V26 HydrophobicContact CB-CB 4.38Å; L23-V26 HydrophobicContact CB-CG2 4.25Å; L23-V26 HydrophobicContact CD1-CG2 4.39Å; L23-V26 PolarHBondContact O-N 3.02Å; V26-L28 HydrophobicContact CG1-CD2 4.18Å; V26-L28 PolarHBondContact O-N 2.96Å; V26-L107 HydrophobicContact CG1-CD1 3.67Å; V26-Q109 HydrophobicContact CG2-CG 4.42Å | ||
| 27 | V | 84.9 | Confident | 86.1 | Confident | 47 Ų | 47 | 59.2 Ų | 59.2 | 29% | 0.285 | 31% | 0.312 | S | S | . | . | trans | -85.4 | 108.1 | 174 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | S29 D30 A31 P69 | V27-S29 VanDerWaalsContact C-N 3.31Å; V27-S29 VanDerWaalsContact CG1-OG 3.24Å; V27-S29 WeakPolarHBondContact CG1-OG 3.12Å; V27-S29 PolarHBondContact O-N 3.28Å; V27-D30 HydrophobicContact CB-CB 4.11Å; V27-D30 HydrophobicContact CG1-CB 4.09Å; V27-D30 WeakPolarHBondContact CG1-OD2 3.21Å; V27-D30 PolarHBondContact O-N 3.24Å; V27-A31 PolarHBondContact O-N 3.24Å; V27-P69 HydrophobicContact CG1-CB 4.27Å | ||
| 28 | L | 84.6 | Confident | 85.8 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.1 | -34.2 | -174.8 | -66.8 | 177.3 | 0 | 0 | 0 | 112.2 | V19 V26 D30 A31 Y32 L71 L107 L114 | V19-L28 HydrophobicContact CB-CD1 4.43Å; V19-L28 HydrophobicContact CG1-CD1 3.78Å; V26-L28 HydrophobicContact CG1-CD2 4.18Å; V26-L28 PolarHBondContact O-N 2.96Å; L28-D30 VanDerWaalsContact C-N 3.32Å; L28-D30 PolarHBondContact O-N 2.88Å; L28-A31 PolarHBondContact O-N 2.68Å; L28-Y32 WeakPolarHBondContact O-CB 3.17Å; L28-Y32 PolarHBondContact O-N 3.38Å; L28-L71 HydrophobicContact CB-CD1 3.76Å; L28-L71 HydrophobicContact CB-CG 3.82Å; L28-L107 HydrophobicContact CD2-CD1 3.99Å; L28-L114 HydrophobicContact CD1-CD2 3.96Å |
| 29 | S | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -35.1 | 177.6 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | V27 A33 R66 D68 | V27-S29 VanDerWaalsContact C-N 3.31Å; V27-S29 VanDerWaalsContact CG1-OG 3.24Å; V27-S29 WeakPolarHBondContact CG1-OG 3.12Å; V27-S29 PolarHBondContact O-N 3.28Å; S29-A33 PolarHBondContact O-N 2.77Å; S29-R66 PolarHBondContact O-NE 3.27Å; S29-R66 PolarHBondContact O-NH2 3.23Å; S29-D68 WeakPolarHBondContact CB-OD1 3.48Å; S29-D68 PolarHBondContact OG-OD1 3.34Å |
| 30 | D | 87.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 63.3 Ų | 63.3 | 43% | 0.428 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.3 | -44.5 | 173.2 | -72.2 | -25 | 0 | 0 | 0 | 111.4 | V27 L28 Y32 A33 H34 | V27-D30 HydrophobicContact CB-CB 4.11Å; V27-D30 HydrophobicContact CG1-CB 4.09Å; V27-D30 WeakPolarHBondContact CG1-OD2 3.21Å; V27-D30 PolarHBondContact O-N 3.24Å; L28-D30 VanDerWaalsContact C-N 3.32Å; L28-D30 PolarHBondContact O-N 2.88Å; D30-Y32 PolarHBondContact O-N 2.94Å; D30-A33 WeakPolarHBondContact O-CA 3.21Å; D30-A33 WeakPolarHBondContact O-CB 3.29Å; D30-A33 PolarHBondContact O-N 3.04Å; D30-H34 PolarHBondContact O-N 2.77Å; D30-H34 PolarHBondContact O-ND1 3.37Å |
| 31 | A | 86.6 | Confident | 85.2 | Confident | 8 Ų | 8 | 61 Ų | 61 | 7% | 0.066 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.8 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V27 L28 A33 H34 Q37 V41 L107 | V27-A31 PolarHBondContact O-N 3.24Å; L28-A31 PolarHBondContact O-N 2.68Å; A31-A33 VanDerWaalsContact C-N 3.34Å; A31-H34 PolarHBondContact O-N 3.08Å; A31-Q37 VanDerWaalsContact O-CB 3.26Å; A31-Q37 WeakPolarHBondContact O-CB 3.42Å; A31-V41 HydrophobicContact CB-CG2 4.37Å; A31-L107 HydrophobicContact CB-CD2 3.73Å |
| 32 | Y | 88.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74.7 | -22.9 | 174.9 | -163.5 | -104.6 | 0 | 0 | 0 | 113.4 | L28 D30 H34 K38 V41 I64 R66 L71 L155 | L28-Y32 WeakPolarHBondContact O-CB 3.17Å; L28-Y32 PolarHBondContact O-N 3.38Å; D30-Y32 PolarHBondContact O-N 2.94Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; Y32-K38 HydrophobicContact CD2-CG 4Å; Y32-K38 HydrophobicContact CE1-CG 4.35Å; Y32-K38 HydrophobicContact CE2-CG 3.79Å; Y32-K38 HydrophobicContact CG-CG 4.37Å; Y32-K38 WeakPolarHBondContact O-CB 3.46Å; Y32-K38 WeakPolarHBondContact O-CG 3.46Å; Y32-V41 HydrophobicContact CD2-CB 4.14Å; Y32-V41 HydrophobicContact CD2-CG1 3.79Å; Y32-I64 HydrophobicContact CD1-CG2 4.09Å; Y32-I64 HydrophobicContact CE1-CB 4.06Å; Y32-I64 HydrophobicContact CE1-CG2 3.72Å; Y32-I64 HydrophobicContact CE2-CD1 3.89Å; Y32-I64 HydrophobicContact CE2-CG2 4.17Å; Y32-I64 HydrophobicContact CG-CG2 4.48Å; Y32-R66 HydrophobicContact CD1-CG 3.75Å; Y32-L71 HydrophobicContact CD1-CD2 4.29Å; Y32-L71 HydrophobicContact CG-CD1 4.47Å; Y32-L71 HydrophobicContact CG-CD2 4.06Å; Y32-L155 WeakPolarHBondContact OH-CD1 3.46Å |
| 33 | A | 88.6 | Confident | 85.5 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.9 | -32.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S29 D30 A31 P35 | S29-A33 PolarHBondContact O-N 2.77Å; D30-A33 WeakPolarHBondContact O-CA 3.21Å; D30-A33 WeakPolarHBondContact O-CB 3.29Å; D30-A33 PolarHBondContact O-N 3.04Å; A31-A33 VanDerWaalsContact C-N 3.34Å; A33-P35 WeakPolarHBondContact O-CD 3.27Å |
| 34 | H | 87.6 | Confident | 86.2 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 49% | 0.486 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -75.7 | 118.3 | -175.3 | -76 | 63.2 | 0 | 0 | 0 | 110.5 | D30 A31 Y32 Q36 Q37 K38 | D30-H34 PolarHBondContact O-N 2.77Å; D30-H34 PolarHBondContact O-ND1 3.37Å; A31-H34 PolarHBondContact O-N 3.08Å; Y32-H34 VanDerWaalsContact C-N 3.31Å; H34-Q36 VanDerWaalsContact C-N 3.26Å; H34-Q36 PolarHBondContact O-N 2.8Å; H34-Q36 VanDerWaalsContact O-N 3.08Å; H34-Q37 HydrophobicContact CB-CB 4.12Å; H34-Q37 HydrophobicContact CB-CG 4.4Å; H34-Q37 PolarHBondContact O-N 3.02Å; H34-K38 VanDerWaalsContact O-CB 3.27Å; H34-K38 WeakPolarHBondContact O-CB 3.39Å; H34-K38 PolarHBondContact O-N 3.46Å |
| 35 | P | 82.1 | Confident | 87.1 | Confident | 106 Ų | 106 | 53.6 Ų | 53.6 | 69% | 0.688 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -55.4 | -36.3 | -172.3 | -28.4 | 34.9 | 0 | 0 | 0 | 114.9 | A33 | A33-P35 WeakPolarHBondContact O-CD 3.27Å |
| 36 | Q | 80.9 | Confident | 87.9 | Confident | 181 Ų | 181 | 46.5 Ų | 46.5 | 85% | 0.846 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -72 | -39.8 | 178.9 | -66.4 | 179.7 | -7.9 | 0 | 0 | 112.5 | H34 | H34-Q36 VanDerWaalsContact C-N 3.26Å; H34-Q36 PolarHBondContact O-N 2.8Å; H34-Q36 VanDerWaalsContact O-N 3.08Å |
| 37 | Q | 86.8 | Confident | 88.4 | Confident | 78 Ų | 78 | 48.3 Ų | 48.3 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -82.8 | -29.8 | -178.5 | -68.4 | -178.4 | -2.2 | 0 | 0 | 111.9 | A31 H34 V39 A40 V41 | A31-Q37 VanDerWaalsContact O-CB 3.26Å; A31-Q37 WeakPolarHBondContact O-CB 3.42Å; H34-Q37 HydrophobicContact CB-CB 4.12Å; H34-Q37 HydrophobicContact CB-CG 4.4Å; H34-Q37 PolarHBondContact O-N 3.02Å; Q37-V39 VanDerWaalsContact C-N 3.29Å; Q37-V39 PolarHBondContact O-N 2.93Å; Q37-A40 CarbonylContact O-C 3.58Å; Q37-A40 WeakPolarHBondContact O-CA 3.33Å; Q37-A40 WeakPolarHBondContact O-CB 3.06Å; Q37-A40 PolarHBondContact O-N 2.88Å; Q37-V41 WeakPolarHBondContact O-CG2 3.25Å; Q37-V41 PolarHBondContact O-N 3.02Å |
| 38 | K | 89.8 | Confident | 88.8 | Confident | 46 Ų | 46 | 46 Ų | 46 | 20% | 0.2 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -50.2 | -46.8 | 177.3 | -174.5 | -178.9 | -178.7 | -174.6 | 0 | 112.7 | Y32 H34 V41 Y42 E151 L155 | Y32-K38 HydrophobicContact CD2-CG 4Å; Y32-K38 HydrophobicContact CE1-CG 4.35Å; Y32-K38 HydrophobicContact CE2-CG 3.79Å; Y32-K38 HydrophobicContact CG-CG 4.37Å; Y32-K38 WeakPolarHBondContact O-CB 3.46Å; Y32-K38 WeakPolarHBondContact O-CG 3.46Å; H34-K38 VanDerWaalsContact O-CB 3.27Å; H34-K38 WeakPolarHBondContact O-CB 3.39Å; H34-K38 PolarHBondContact O-N 3.46Å; K38-V41 PolarHBondContact O-N 3.31Å; K38-Y42 VanDerWaalsContact O-CB 3.25Å; K38-Y42 WeakPolarHBondContact O-CB 3.47Å; K38-Y42 PolarHBondContact O-N 3.22Å; K38-E151 WeakPolarHBondContact CE-OE1 3.39Å; K38-E151 IonicContact NZ-OE1 2.58Å; K38-E151 PolarHBondContact NZ-OE1 3.41Å; K38-L155 HydrophobicContact CD-CD2 4.16Å; K38-L155 HydrophobicContact CG-CD1 4.34Å; K38-L155 HydrophobicContact CG-CD2 4Å |
| 39 | V | 89 | Confident | 89.1 | Confident | 34 Ų | 34 | 46.5 Ų | 46.5 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -41.8 | 177.6 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | Q37 R43 L155 L159 | Q37-V39 VanDerWaalsContact C-N 3.29Å; Q37-V39 PolarHBondContact O-N 2.93Å; V39-R43 WeakPolarHBondContact O-CB 2.98Å; V39-R43 PolarHBondContact O-N 2.87Å; V39-L155 HydrophobicContact CG2-CD2 3.78Å; V39-L159 HydrophobicContact CG1-CD2 3.53Å; V39-L159 HydrophobicContact CG1-CG 3.81Å |
| 40 | A | 90.1 | Very high | 89.2 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.2 | -43.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q37 R43 A44 A106 | Q37-A40 CarbonylContact O-C 3.58Å; Q37-A40 WeakPolarHBondContact O-CA 3.33Å; Q37-A40 WeakPolarHBondContact O-CB 3.06Å; Q37-A40 PolarHBondContact O-N 2.88Å; A40-R43 PolarHBondContact O-N 3.08Å; A40-A44 WeakPolarHBondContact O-CB 3.37Å; A40-A44 PolarHBondContact O-N 3.02Å; A40-A106 HydrophobicContact CB-CB 3.95Å |
| 41 | V | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | A31 Y32 Q37 K38 R43 A44 L45 L71 L103 L107 | A31-V41 HydrophobicContact CB-CG2 4.37Å; Y32-V41 HydrophobicContact CD2-CB 4.14Å; Y32-V41 HydrophobicContact CD2-CG1 3.79Å; Q37-V41 WeakPolarHBondContact O-CG2 3.25Å; Q37-V41 PolarHBondContact O-N 3.02Å; K38-V41 PolarHBondContact O-N 3.31Å; V41-R43 PolarHBondContact O-N 3.15Å; V41-A44 WeakPolarHBondContact O-CB 3.49Å; V41-A44 PolarHBondContact O-N 3.21Å; V41-L45 HydrophobicContact CG1-CD1 4.11Å; V41-L45 WeakPolarHBondContact O-CG 3.17Å; V41-L45 PolarHBondContact O-N 3.48Å; V41-L71 HydrophobicContact CG1-CD1 4.01Å; V41-L103 HydrophobicContact CG1-CD2 4.01Å; V41-L107 HydrophobicContact CG2-CD2 3.92Å |
| 42 | Y | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 175.4 | 175.9 | -108.4 | 0 | 0 | 0 | 112.1 | K38 A44 L45 Q46 M61 I64 R148 L152 L155 E156 L159 | K38-Y42 VanDerWaalsContact O-CB 3.25Å; K38-Y42 WeakPolarHBondContact O-CB 3.47Å; K38-Y42 PolarHBondContact O-N 3.22Å; Y42-A44 VanDerWaalsContact C-N 3.31Å; Y42-A44 PolarHBondContact O-N 3.01Å; Y42-L45 PolarHBondContact O-N 3.12Å; Y42-Q46 WeakPolarHBondContact O-CB 3.42Å; Y42-Q46 PolarHBondContact O-N 3.44Å; Y42-M61 HydrophobicContact CD2-CE 4.1Å; Y42-M61 HydrophobicContact CE2-CE 3.38Å; Y42-M61 HydrophobicContact CE2-SD 4.3Å; Y42-I64 HydrophobicContact CD2-CD1 3.75Å; Y42-I64 HydrophobicContact CE2-CD1 4.38Å; Y42-R148 PolarHBondContact OH-NH2 2.74Å; Y42-L152 HydrophobicContact CD2-CD2 3.93Å; Y42-L152 HydrophobicContact CE2-CB 4.43Å; Y42-L152 HydrophobicContact CE2-CD2 3.69Å; Y42-L152 HydrophobicContact CE2-CG 4.45Å; Y42-L155 HydrophobicContact CD1-CB 3.63Å; Y42-L155 HydrophobicContact CD1-CD1 4.3Å; Y42-L155 HydrophobicContact CD2-CD1 4.13Å; Y42-L155 HydrophobicContact CE1-CB 3.95Å; Y42-L155 HydrophobicContact CG-CB 4.06Å; Y42-L155 HydrophobicContact CG-CD1 3.86Å; Y42-E156 HydrophobicContact CE1-CG 3.65Å; Y42-E156 WeakPolarHBondContact OH-CG 3.49Å; Y42-E156 PolarHBondContact OH-OE1 3.01Å; Y42-E156 VanDerWaalsContact OH-OE1 3.1Å; Y42-L159 HydrophobicContact CD1-CD1 3.63Å; Y42-L159 HydrophobicContact CE1-CD1 3.88Å |
| 43 | R | 91.1 | Very high | 88.3 | Confident | 141 Ų | 141 | 51.1 Ų | 51.1 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 175.7 | -169 | -175.2 | -178.3 | 170 | -2.3 | 112.1 | V39 A40 V41 Q46 A47 L159 | V39-R43 WeakPolarHBondContact O-CB 2.98Å; V39-R43 PolarHBondContact O-N 2.87Å; A40-R43 PolarHBondContact O-N 3.08Å; V41-R43 PolarHBondContact O-N 3.15Å; R43-Q46 PolarHBondContact O-N 3.26Å; R43-A47 WeakPolarHBondContact O-CB 3.36Å; R43-A47 PolarHBondContact O-N 3.46Å; R43-L159 HydrophobicContact CB-CD1 3.82Å; R43-L159 HydrophobicContact CB-CD2 3.88Å; R43-L159 HydrophobicContact CG-CD1 4.09Å; R43-L159 HydrophobicContact CG-CD2 3.96Å |
| 44 | A | 92.5 | Very high | 87.8 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A40 V41 Y42 A47 A48 S102 L103 A106 | A40-A44 WeakPolarHBondContact O-CB 3.37Å; A40-A44 PolarHBondContact O-N 3.02Å; V41-A44 WeakPolarHBondContact O-CB 3.49Å; V41-A44 PolarHBondContact O-N 3.21Å; Y42-A44 VanDerWaalsContact C-N 3.31Å; Y42-A44 PolarHBondContact O-N 3.01Å; A44-A47 PolarHBondContact O-N 3.26Å; A44-A48 WeakPolarHBondContact O-CB 3.24Å; A44-A48 PolarHBondContact O-N 3.47Å; A44-S102 WeakPolarHBondContact CB-O 3.5Å; A44-L103 HydrophobicContact CB-CD2 3.91Å; A44-L103 HydrophobicContact CB-CG 4.24Å; A44-A106 HydrophobicContact CB-CB 3.95Å |
| 45 | L | 93.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 175 | -68.9 | 168.4 | 0 | 0 | 0 | 111 | V41 Y42 A47 A48 L49 M61 I64 V73 L99 | V41-L45 HydrophobicContact CG1-CD1 4.11Å; V41-L45 WeakPolarHBondContact O-CG 3.17Å; V41-L45 PolarHBondContact O-N 3.48Å; Y42-L45 PolarHBondContact O-N 3.12Å; L45-A47 PolarHBondContact O-N 3.12Å; L45-A48 PolarHBondContact O-N 3.44Å; L45-L49 WeakPolarHBondContact O-CB 3.13Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 2.74Å; L45-M61 HydrophobicContact CB-SD 4.07Å; L45-I64 HydrophobicContact CD1-CD1 3.73Å; L45-V73 HydrophobicContact CD1-CG2 4.22Å; L45-V73 HydrophobicContact CD2-CG2 4.33Å; L45-L99 HydrophobicContact CD2-CD2 3.66Å |
| 46 | Q | 91.8 | Very high | 87.3 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 178.8 | -170 | 174.2 | 38.6 | 0 | 0 | 112.3 | Y42 R43 L49 A50 M61 E156 | Y42-Q46 WeakPolarHBondContact O-CB 3.42Å; Y42-Q46 PolarHBondContact O-N 3.44Å; R43-Q46 PolarHBondContact O-N 3.26Å; Q46-L49 PolarHBondContact O-N 2.54Å; Q46-A50 WeakPolarHBondContact O-CB 3.34Å; Q46-A50 PolarHBondContact O-N 2.93Å; Q46-M61 HydrophobicContact CB-CE 3.6Å; Q46-M61 HydrophobicContact CG-CE 4.01Å; Q46-E156 PolarHBondContact NE2-OE1 2.93Å |
| 47 | A | 90.7 | Very high | 87.4 | Confident | 51 Ų | 51 | 46 Ų | 46 | 42% | 0.421 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | R43 A44 L45 A50 E51 | R43-A47 WeakPolarHBondContact O-CB 3.36Å; R43-A47 PolarHBondContact O-N 3.46Å; A44-A47 PolarHBondContact O-N 3.26Å; L45-A47 PolarHBondContact O-N 3.12Å; A47-A50 PolarHBondContact O-N 3.48Å; A47-E51 PolarHBondContact O-N 3.5Å |
| 48 | A | 93 | Very high | 87.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A44 L45 E51 S52 A98 L99 | A44-A48 WeakPolarHBondContact O-CB 3.24Å; A44-A48 PolarHBondContact O-N 3.47Å; L45-A48 PolarHBondContact O-N 3.44Å; A48-E51 PolarHBondContact O-N 3.32Å; A48-S52 PolarHBondContact O-N 3.06Å; A48-S52 VanDerWaalsContact O-N 3.1Å; A48-S52 PolarHBondContact O-OG 3.12Å; A48-A98 HydrophobicContact CB-CB 3.95Å; A48-L99 HydrophobicContact CB-CB 4.39Å; A48-L99 HydrophobicContact CB-CD2 3.56Å; A48-L99 HydrophobicContact CB-CG 3.74Å |
| 49 | L | 91.4 | Very high | 87.5 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.052 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.5 | -38.2 | 174.6 | -69.7 | 169.3 | 0 | 0 | 0 | 111.6 | L17 L45 Q46 E51 S52 G53 L59 M61 L75 F86 L95 | L17-L49 HydrophobicContact CD2-CD2 4.43Å; L45-L49 WeakPolarHBondContact O-CB 3.13Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 2.74Å; Q46-L49 PolarHBondContact O-N 2.54Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 2.92Å; L49-S52 PolarHBondContact O-N 3.41Å; L49-G53 VanDerWaalsContact O-CA 3.28Å; L49-G53 WeakPolarHBondContact O-CA 3.46Å; L49-G53 PolarHBondContact O-N 3.48Å; L49-L59 HydrophobicContact CB-CD2 4.28Å; L49-L59 HydrophobicContact CD2-CD2 4.08Å; L49-M61 HydrophobicContact CD1-CE 4.44Å; L49-M61 HydrophobicContact CD1-CG 3.49Å; L49-M61 VanDerWaalsContact CD1-CG 3.49Å; L49-M61 HydrophobicContact CD1-SD 3.52Å; L49-M61 VanDerWaalsContact CD1-SD 3.52Å; L49-L75 HydrophobicContact CD1-CD2 3.81Å; L49-L75 HydrophobicContact CD2-CD1 4.44Å; L49-L75 HydrophobicContact CD2-CD2 4.26Å; L49-F86 HydrophobicContact CD2-CE2 3.97Å; L49-L95 HydrophobicContact CD2-CD1 3.94Å |
| 50 | A | 89.4 | Confident | 87.5 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 41% | 0.405 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q46 A47 G54 | Q46-A50 WeakPolarHBondContact O-CB 3.34Å; Q46-A50 PolarHBondContact O-N 2.93Å; A47-A50 PolarHBondContact O-N 3.48Å; A50-G54 WeakPolarHBondContact CA-O 3.37Å |
| 51 | E | 89.1 | Confident | 87.6 | Confident | 118 Ų | 118 | 42.2 Ų | 42.2 | 55% | 0.551 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -68.3 | -40.2 | 177.8 | -172.5 | 177.8 | 171.2 | 0 | 0 | 112.2 | A47 A48 L49 R101 | A47-E51 PolarHBondContact O-N 3.5Å; A48-E51 PolarHBondContact O-N 3.32Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 2.92Å; E51-R101 IonicContact OE1-CZ 3.83Å; E51-R101 IonicContact OE1-NH2 3.76Å; E51-R101 PolarHBondContact OE1-NH2 3.47Å; E51-R101 IonicContact OE2-NH2 3.83Å; E51-R101 PolarHBondContact OE2-NH2 2.95Å |
| 52 | S | 81.6 | Confident | 87.5 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -103.9 | -24.6 | -169.9 | -56.9 | 0 | 0 | 0 | 0 | 114.9 | A48 L49 A89 L95 | A48-S52 PolarHBondContact O-N 3.06Å; A48-S52 VanDerWaalsContact O-N 3.1Å; A48-S52 PolarHBondContact O-OG 3.12Å; L49-S52 PolarHBondContact O-N 3.41Å; S52-A89 WeakPolarHBondContact O-CB 3.43Å; S52-L95 WeakPolarHBondContact OG-CA 3.48Å |
| 53 | G | 73.4 | Confident | 87.5 | Confident | 4 Ų | 4 | 44.7 Ų | 44.7 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -115.6 | -10 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L49 | L49-G53 VanDerWaalsContact O-CA 3.28Å; L49-G53 WeakPolarHBondContact O-CA 3.46Å; L49-G53 PolarHBondContact O-N 3.48Å |
| 54 | G | 76.4 | Confident | 87.6 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 34% | 0.34 | 22% | 0.224 | S | C | . | . | trans | 105.5 | -173.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A50 | A50-G54 WeakPolarHBondContact CA-O 3.37Š| ||
| 55 | S | 80.8 | Confident | 87.5 | Confident | 51 Ų | 51 | 40.7 Ų | 40.7 | 36% | 0.357 | 23% | 0.234 | S | C | . | . | trans | -63.4 | 157.4 | -175 | 78 | 0 | 0 | 0 | 0 | 112.1 | E57 V58 L59 | S55-E57 PolarHBondContact O-N 3.33Å; S55-V58 WeakPolarHBondContact O-CG2 3.38Å; S55-V58 PolarHBondContact O-N 3.17Å; S55-V58 WeakPolarHBondContact OG-CG2 3.45Å; S55-L59 PolarHBondContact O-N 3.41Å | ||
| 56 | P | 79.3 | Confident | 87.4 | Confident | 81 Ų | 81 | 46.6 Ų | 46.6 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -8.2 | 177.9 | 26.7 | -36.7 | 0 | 0 | 0 | 114.2 | Q60 | P56-Q60 WeakPolarHBondContact O-CG 3.4Å; P56-Q60 PolarHBondContact O-NE2 3.37Å |
| 57 | E | 82.8 | Confident | 87.2 | Confident | 157 Ų | 157 | 46.7 Ų | 46.7 | 73% | 0.734 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -32 | 172.7 | -64.1 | 171.5 | -179.1 | 0 | 0 | 111.5 | S55 | S55-E57 PolarHBondContact O-N 3.33Š|
| 58 | V | 88.4 | Confident | 86.6 | Confident | 35 Ų | 35 | 49.6 Ų | 49.6 | 21% | 0.212 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -31.8 | -174.7 | -121.3 | 0 | 0 | 0 | 0 | 112.8 | S55 C78 P82 | S55-V58 WeakPolarHBondContact O-CG2 3.38Å; S55-V58 PolarHBondContact O-N 3.17Å; S55-V58 WeakPolarHBondContact OG-CG2 3.45Å; V58-C78 WeakPolarHBondContact CG1-O 3.25Å; V58-C78 PolarHBondContact O-N 3.43Å; V58-P82 HydrophobicContact CB-CB 4.02Å; V58-P82 HydrophobicContact CB-CG 4.24Å; V58-P82 HydrophobicContact CG1-CB 3.49Å; V58-P82 VanDerWaalsContact CG1-CB 3.49Å; V58-P82 HydrophobicContact CG1-CG 3.22Å |
| 59 | L | 90.3 | Very high | 86.2 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 112 | 175.9 | -179.1 | 57.6 | 0 | 0 | 0 | 110 | L49 S55 L75 R76 F77 F86 | L49-L59 HydrophobicContact CB-CD2 4.28Å; L49-L59 HydrophobicContact CD2-CD2 4.08Å; S55-L59 PolarHBondContact O-N 3.41Å; L59-L75 HydrophobicContact CD1-CB 4.12Å; L59-L75 HydrophobicContact CD1-CD1 4.46Å; L59-L75 HydrophobicContact CD1-CD2 4.29Å; L59-R76 WeakPolarHBondContact CA-O 3.46Å; L59-F77 HydrophobicContact CD1-CD1 3.54Å; L59-F77 HydrophobicContact CD1-CE1 3.35Å; L59-F77 HydrophobicContact CD1-CE2 4.37Å; L59-F77 HydrophobicContact CD1-CG 4.14Å; L59-F77 HydrophobicContact CD1-CZ 3.8Å; L59-F77 HydrophobicContact CD2-CE1 4.46Å; L59-F77 HydrophobicContact CG-CE1 4.49Å; L59-F86 HydrophobicContact CD2-CD2 3.68Å; L59-F86 HydrophobicContact CD2-CE2 4.01Å |
| 60 | Q | 89.6 | Confident | 86.1 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 139.2 | -176.6 | -70.4 | 176.1 | -12.3 | 0 | 0 | 110.8 | P56 L75 R76 | P56-Q60 WeakPolarHBondContact O-CG 3.4Å; P56-Q60 PolarHBondContact O-NE2 3.37Å; Q60-L75 CarbonylContact O-C 3.57Å; Q60-L75 WeakPolarHBondContact O-CA 3.34Å; Q60-R76 HydrophobicContact CB-CB 4.22Å; Q60-R76 PolarHBondContact N-O 3.17Å; Q60-R76 PolarHBondContact O-N 3.07Å |
| 61 | M | 92.1 | Very high | 86.2 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 5% | 0.049 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 118.3 | 163.1 | -65.8 | -177.4 | -73.3 | 0 | 0 | 108.3 | Y42 L45 Q46 L49 V73 L75 R148 L152 | Y42-M61 HydrophobicContact CD2-CE 4.1Å; Y42-M61 HydrophobicContact CE2-CE 3.38Å; Y42-M61 HydrophobicContact CE2-SD 4.3Å; L45-M61 HydrophobicContact CB-SD 4.07Å; Q46-M61 HydrophobicContact CB-CE 3.6Å; Q46-M61 HydrophobicContact CG-CE 4.01Å; L49-M61 HydrophobicContact CD1-CE 4.44Å; L49-M61 HydrophobicContact CD1-CG 3.49Å; L49-M61 VanDerWaalsContact CD1-CG 3.49Å; L49-M61 HydrophobicContact CD1-SD 3.52Å; L49-M61 VanDerWaalsContact CD1-SD 3.52Å; M61-V73 HydrophobicContact CB-CG1 4.27Å; M61-V73 HydrophobicContact CG-CG1 3.72Å; M61-V73 HydrophobicContact SD-CG1 3.91Å; M61-L75 HydrophobicContact CG-CD2 4.01Å; M61-R148 PolarHBondContact O-NE 2.77Å; M61-L152 HydrophobicContact CB-CD1 4.01Å; M61-L152 VanDerWaalsContact O-CD1 3.29Å; M61-L152 WeakPolarHBondContact O-CD1 3.16Å |
| 62 | L | 90.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -43.9 | 177 | -64.3 | -174.5 | 0 | 0 | 0 | 111.5 | Q74 R76 P144 D149 L152 | L62-Q74 HydrophobicContact CB-CB 4.31Å; L62-Q74 HydrophobicContact CB-CG 4.17Å; L62-Q74 HydrophobicContact CD1-CG 4.28Å; L62-Q74 PolarHBondContact N-O 2.94Å; L62-R76 HydrophobicContact CD1-CB 3.87Å; L62-R76 HydrophobicContact CD2-CB 3.84Å; L62-R76 HydrophobicContact CG-CB 3.74Å; L62-P144 HydrophobicContact CD1-CB 3.87Å; L62-D149 WeakPolarHBondContact O-CB 3.37Å; L62-D149 PolarHBondContact O-N 3.01Å; L62-L152 VanDerWaalsContact C-CD1 3.47Å; L62-L152 WeakPolarHBondContact O-CD1 3.47Å |
| 63 | K | 91.1 | Very high | 87.1 | Confident | 49 Ų | 49 | 46 Ų | 46 | 21% | 0.213 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 150.9 | -175.2 | -177.2 | 162.4 | -172.8 | 118.1 | 0 | 111.2 | H65 Q74 D149 | K63-H65 WeakPolarHBondContact CD-CE1 3.32Å; K63-Q74 HydrophobicContact CB-CB 4.17Å; K63-Q74 PolarHBondContact O-N 3.34Å; K63-D149 WeakPolarHBondContact CD-OD2 3.26Å; K63-D149 WeakPolarHBondContact CE-OD2 3.49Å; K63-D149 WeakPolarHBondContact CG-OD2 3.36Å; K63-D149 IonicContact NZ-OD1 3.73Å; K63-D149 IonicContact NZ-OD2 2.67Å; K63-D149 PolarHBondContact NZ-OD2 3.47Å |
| 64 | I | 92.6 | Very high | 88 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.3 | 168.5 | -62.5 | 174 | 0 | 0 | 0 | 107.5 | Y32 Y42 L45 L71 I72 V73 L152 | Y32-I64 HydrophobicContact CD1-CG2 4.09Å; Y32-I64 HydrophobicContact CE1-CB 4.06Å; Y32-I64 HydrophobicContact CE1-CG2 3.72Å; Y32-I64 HydrophobicContact CE2-CD1 3.89Å; Y32-I64 HydrophobicContact CE2-CG2 4.17Å; Y32-I64 HydrophobicContact CG-CG2 4.48Å; Y42-I64 HydrophobicContact CD2-CD1 3.75Å; Y42-I64 HydrophobicContact CE2-CD1 4.38Å; L45-I64 HydrophobicContact CD1-CD1 3.73Å; I64-L71 HydrophobicContact CG2-CD2 4.22Å; I64-I72 CarbonylContact C-O 3.48Å; I64-I72 WeakPolarHBondContact CA-O 3.45Å; I64-V73 HydrophobicContact CG1-CG1 4.35Å; I64-V73 HydrophobicContact CG1-CG2 4.36Å; I64-L152 HydrophobicContact CD1-CD2 3.93Å; I64-L152 HydrophobicContact CG1-CD2 4.06Å |
| 65 | H | 90.4 | Very high | 88.8 | Confident | 57 Ų | 57 | 44.3 Ų | 44.3 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 136.5 | 174.1 | -51.2 | -103.2 | 0 | 0 | 0 | 109.7 | K63 I72 | K63-H65 WeakPolarHBondContact CD-CE1 3.32Å; H65-I72 HydrophobicContact CB-CB 4.15Å; H65-I72 PolarHBondContact N-O 2.69Å; H65-I72 PolarHBondContact O-N 2.78Å |
| 66 | R | 90.6 | Very high | 89.4 | Confident | 126 Ų | 126 | 45.2 Ų | 45.2 | 48% | 0.475 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.3 | 169.4 | -63.2 | 172.4 | 62.1 | -140.5 | -15.6 | 107.8 | S29 Y32 L71 | S29-R66 PolarHBondContact O-NE 3.27Å; S29-R66 PolarHBondContact O-NH2 3.23Å; Y32-R66 HydrophobicContact CD1-CG 3.75Å; R66-L71 HydrophobicContact CG-CD2 4.12Å |
| 67 | S | 87.4 | Confident | 90 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 39% | 0.392 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 87.3 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | Q70 | S67-Q70 CarbonylContact C-O 3.58Å; S67-Q70 PolarHBondContact N-O 3.46Å; S67-Q70 CarbonylContact O-C 3.58Å; S67-Q70 WeakPolarHBondContact O-CA 3.29Å; S67-Q70 WeakPolarHBondContact O-CB 3.32Å; S67-Q70 PolarHBondContact O-N 3.42Å |
| 68 | D | 78.8 | Confident | 90.3 | Very high | 112 Ų | 112 | 35 Ų | 35 | 60% | 0.599 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 129 | -168.3 | -58.6 | -40.9 | 0 | 0 | 0 | 113.1 | S29 | S29-D68 WeakPolarHBondContact CB-OD1 3.48Å; S29-D68 PolarHBondContact OG-OD1 3.34Å |
| 69 | P | 83.4 | Confident | 90.3 | Very high | 61 Ų | 61 | 34.5 Ų | 34.5 | 40% | 0.396 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.1 | 5.6 | 3.3 | 37 | -37.8 | 0 | 0 | 0 | 115.3 | E20 V27 | E20-P69 HydrophobicContact CG-CG 4.46Å; E20-P69 VanDerWaalsContact OE1-CG 3.26Å; E20-P69 WeakPolarHBondContact OE1-CG 3.38Å; V27-P69 HydrophobicContact CG1-CB 4.27Å |
| 70 | Q | 89.7 | Confident | 90.3 | Very high | 35 Ų | 35 | 38.5 Ų | 38.5 | 16% | 0.164 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 155.2 | -170.1 | -51.8 | -175.3 | -24.6 | 0 | 0 | 113.2 | E20 S67 | E20-Q70 HydrophobicContact CB-CG 3.89Å; E20-Q70 HydrophobicContact CG-CG 3.92Å; E20-Q70 PolarHBondContact OE2-NE2 3.41Å; S67-Q70 CarbonylContact C-O 3.58Å; S67-Q70 PolarHBondContact N-O 3.46Å; S67-Q70 CarbonylContact O-C 3.58Å; S67-Q70 WeakPolarHBondContact O-CA 3.29Å; S67-Q70 WeakPolarHBondContact O-CB 3.32Å; S67-Q70 PolarHBondContact O-N 3.42Å |
| 71 | L | 92.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131 | 162.8 | -71.6 | 178.2 | 0 | 0 | 0 | 109.4 | V19 L28 Y32 V41 I64 R66 | V19-L71 PolarHBondContact N-O 2.95Å; V19-L71 PolarHBondContact O-N 3.27Å; L28-L71 HydrophobicContact CB-CD1 3.76Å; L28-L71 HydrophobicContact CB-CG 3.82Å; Y32-L71 HydrophobicContact CD1-CD2 4.29Å; Y32-L71 HydrophobicContact CG-CD1 4.47Å; Y32-L71 HydrophobicContact CG-CD2 4.06Å; V41-L71 HydrophobicContact CG1-CD1 4.01Å; I64-L71 HydrophobicContact CG2-CD2 4.22Å; R66-L71 HydrophobicContact CG-CD2 4.12Å |
| 72 | I | 94.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 11% | 0.108 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115 | 178.3 | -45.8 | 172 | 0 | 0 | 0 | 108.1 | Y16 L17 F18 I64 H65 | Y16-I72 HydrophobicContact CD1-CG2 3.91Å; Y16-I72 HydrophobicContact CG-CG2 4.34Å; L17-I72 CarbonylContact O-C 3.5Å; L17-I72 WeakPolarHBondContact O-CA 3.43Å; F18-I72 HydrophobicContact CD1-CB 4.47Å; F18-I72 HydrophobicContact CD1-CD1 3.84Å; F18-I72 HydrophobicContact CD1-CG1 3.61Å; F18-I72 HydrophobicContact CD1-CG2 4.24Å; F18-I72 HydrophobicContact CD2-CG2 4.31Å; F18-I72 HydrophobicContact CE1-CB 4.5Å; F18-I72 HydrophobicContact CE1-CD1 3.37Å; F18-I72 HydrophobicContact CE1-CG1 3.67Å; F18-I72 HydrophobicContact CE1-CG2 4.05Å; F18-I72 HydrophobicContact CE2-CG2 4.07Å; F18-I72 HydrophobicContact CG-CG1 4.34Å; F18-I72 HydrophobicContact CG-CG2 4.36Å; F18-I72 HydrophobicContact CZ-CD1 4.08Å; F18-I72 HydrophobicContact CZ-CG1 4.4Å; F18-I72 HydrophobicContact CZ-CG2 3.94Å; I64-I72 CarbonylContact C-O 3.48Å; I64-I72 WeakPolarHBondContact CA-O 3.45Å; H65-I72 HydrophobicContact CB-CB 4.15Å; H65-I72 PolarHBondContact N-O 2.69Å; H65-I72 PolarHBondContact O-N 2.78Å |
| 73 | V | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 117.1 | 178.9 | -172 | 0 | 0 | 0 | 0 | 108.8 | Y16 L17 L45 M61 I64 L75 | Y16-V73 WeakPolarHBondContact CA-O 3.47Å; L17-V73 HydrophobicContact CB-CB 4.41Å; L17-V73 PolarHBondContact N-O 3.17Å; L17-V73 PolarHBondContact O-N 3.37Å; L45-V73 HydrophobicContact CD1-CG2 4.22Å; L45-V73 HydrophobicContact CD2-CG2 4.33Å; M61-V73 HydrophobicContact CB-CG1 4.27Å; M61-V73 HydrophobicContact CG-CG1 3.72Å; M61-V73 HydrophobicContact SD-CG1 3.91Å; I64-V73 HydrophobicContact CG1-CG1 4.35Å; I64-V73 HydrophobicContact CG1-CG2 4.36Å; V73-L75 HydrophobicContact CG1-CD2 3.77Å; V73-L75 HydrophobicContact CG1-CG 4.4Å |
| 74 | Q | 93.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119.8 | 171.4 | -170.1 | -179.8 | 10.1 | 0 | 0 | 108.9 | Y16 L62 K63 | Y16-Q74 HydrophobicContact CD1-CB 3.98Å; Y16-Q74 HydrophobicContact CD1-CG 4.09Å; Y16-Q74 HydrophobicContact CE1-CB 3.77Å; Y16-Q74 HydrophobicContact CE1-CG 3.58Å; Y16-Q74 PolarHBondContact OH-NE2 3.07Å; L62-Q74 HydrophobicContact CB-CB 4.31Å; L62-Q74 HydrophobicContact CB-CG 4.17Å; L62-Q74 HydrophobicContact CD1-CG 4.28Å; L62-Q74 PolarHBondContact N-O 2.94Å; K63-Q74 HydrophobicContact CB-CB 4.17Å; K63-Q74 PolarHBondContact O-N 3.34Å |
| 75 | L | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 142.4 | -177.8 | -60.7 | 175.6 | 0 | 0 | 0 | 110.3 | S14 A15 L17 L49 L59 Q60 M61 V73 F77 F86 | S14-L75 WeakPolarHBondContact CA-O 3.37Å; S14-L75 WeakPolarHBondContact CB-O 3.25Å; A15-L75 PolarHBondContact N-O 3.29Å; A15-L75 VanDerWaalsContact N-O 3.08Å; A15-L75 PolarHBondContact O-N 2.81Å; L17-L75 HydrophobicContact CB-CD1 4Å; L17-L75 HydrophobicContact CD2-CD1 4.46Å; L49-L75 HydrophobicContact CD1-CD2 3.81Å; L49-L75 HydrophobicContact CD2-CD1 4.44Å; L49-L75 HydrophobicContact CD2-CD2 4.26Å; L59-L75 HydrophobicContact CD1-CB 4.12Å; L59-L75 HydrophobicContact CD1-CD1 4.46Å; L59-L75 HydrophobicContact CD1-CD2 4.29Å; Q60-L75 CarbonylContact O-C 3.57Å; Q60-L75 WeakPolarHBondContact O-CA 3.34Å; M61-L75 HydrophobicContact CG-CD2 4.01Å; V73-L75 HydrophobicContact CG1-CD2 3.77Å; V73-L75 HydrophobicContact CG1-CG 4.4Å; L75-F77 HydrophobicContact CB-CE2 3.83Å; L75-F77 HydrophobicContact CB-CZ 4.09Å; L75-F77 HydrophobicContact CD1-CZ 4.03Å; L75-F86 HydrophobicContact CD1-CE2 4.25Å; L75-F86 HydrophobicContact CD1-CZ 3.82Å |
| 76 | R | 92.7 | Very high | 90.6 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 26% | 0.264 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129.7 | 167 | 171.7 | -179.5 | 178.8 | -165 | 5.7 | 109 | V12 G13 L59 Q60 L62 P144 | V12-R76 HydrophobicContact CG1-CG 4.08Å; G13-R76 WeakPolarHBondContact O-CA 3.43Å; L59-R76 WeakPolarHBondContact CA-O 3.46Å; Q60-R76 HydrophobicContact CB-CB 4.22Å; Q60-R76 PolarHBondContact N-O 3.17Å; Q60-R76 PolarHBondContact O-N 3.07Å; L62-R76 HydrophobicContact CD1-CB 3.87Å; L62-R76 HydrophobicContact CD2-CB 3.84Å; L62-R76 HydrophobicContact CG-CB 3.74Å; R76-P144 HydrophobicContact CG-CG 4.3Å |
| 77 | F | 91.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.2 | 175.7 | -58.8 | -93.4 | 0 | 0 | 0 | 109.1 | W11 V12 G13 A15 L59 L75 C83 F86 I139 | W11-F77 HydrophobicContact CH2-CB 4.25Å; W11-F77 HydrophobicContact CZ3-CB 3.61Å; V12-F77 WeakPolarHBondContact CA-O 3.27Å; G13-F77 PolarHBondContact N-O 3.35Å; G13-F77 PolarHBondContact O-N 3.39Å; A15-F77 HydrophobicContact CB-CE2 3.88Å; L59-F77 HydrophobicContact CD1-CD1 3.54Å; L59-F77 HydrophobicContact CD1-CE1 3.35Å; L59-F77 HydrophobicContact CD1-CE2 4.37Å; L59-F77 HydrophobicContact CD1-CG 4.14Å; L59-F77 HydrophobicContact CD1-CZ 3.8Å; L59-F77 HydrophobicContact CD2-CE1 4.46Å; L59-F77 HydrophobicContact CG-CE1 4.49Å; L75-F77 HydrophobicContact CB-CE2 3.83Å; L75-F77 HydrophobicContact CB-CZ 4.09Å; L75-F77 HydrophobicContact CD1-CZ 4.03Å; F77-C83 HydrophobicContact CB-CB 4.13Å; F77-C83 HydrophobicContact CD1-CB 3.85Å; F77-C83 HydrophobicContact CG-CB 4.14Å; F77-F86 HydrophobicContact CE1-CB 3.96Å; F77-F86 AromaticContact CE1-CD1 3.52Å; F77-F86 HydrophobicContact CE1-CD1 3.52Å; F77-F86 HydrophobicContact CE1-CD2 4.21Å; F77-F86 HydrophobicContact CE1-CE1 4.03Å; F77-F86 AromaticContact CE1-CG 3.63Å; F77-F86 HydrophobicContact CE1-CG 3.63Å; F77-F86 AromaticContact CZ-CD1 3.68Å; F77-F86 HydrophobicContact CZ-CD1 3.68Å; F77-F86 AromaticContact CZ-CE1 3.72Å; F77-F86 HydrophobicContact CZ-CE1 3.72Å; F77-F86 HydrophobicContact CZ-CG 4.19Å; F77-F86 HydrophobicContact CZ-CZ 4.24Å; F77-I139 HydrophobicContact CD2-CG2 3.8Å; F77-I139 HydrophobicContact CE2-CG2 4.3Å |
| 78 | C | 89.5 | Confident | 91.1 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 99.6 | 176 | -60.7 | 0 | 0 | 0 | 0 | 108.5 | V58 | V58-C78 WeakPolarHBondContact CG1-O 3.25Å; V58-C78 PolarHBondContact O-N 3.43Å |
| 79 | G | 88.8 | Confident | 91.8 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 24% | 0.237 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 102.9 | 134.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | W11 P82 C83 | W11-G79 WeakPolarHBondContact CZ3-O 3.49Å; W11-G79 PolarHBondContact O-N 3.44Å; G79-P82 WeakPolarHBondContact O-CD 3.24Å; G79-C83 PolarHBondContact O-N 2.91Å |
| 80 | R | 90.7 | Very high | 92.3 | Very high | 96 Ų | 96 | 33.4 Ų | 33.4 | 36% | 0.362 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.3 | -45 | -175 | -175.6 | -178.2 | 172.2 | 106.9 | 5.2 | 113.5 | W11 C83 G84 E133 L136 | W11-R80 HydrophobicContact CB-CB 4.45Å; W11-R80 HydrophobicContact CD2-CB 3.84Å; W11-R80 HydrophobicContact CE3-CB 4.36Å; W11-R80 VanDerWaalsContact CE3-N 3.33Å; W11-R80 HydrophobicContact CG-CB 3.87Å; R80-C83 PolarHBondContact O-N 3.24Å; R80-G84 PolarHBondContact O-N 3.26Å; R80-E133 IonicContact CZ-OE1 3.92Å; R80-E133 IonicContact CZ-OE2 3.77Å; R80-E133 IonicContact NH2-OE1 2.73Å; R80-E133 PolarHBondContact NH2-OE1 2.87Å; R80-E133 IonicContact NH2-OE2 2.56Å; R80-E133 PolarHBondContact NH2-OE2 3.35Å; R80-L136 HydrophobicContact CG-CD1 4.12Å; R80-L136 HydrophobicContact CG-CD2 4.37Å |
| 81 | Q | 89.9 | Confident | 92.5 | Very high | 131 Ų | 131 | 37.6 Ų | 37.6 | 61% | 0.612 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -64.6 | -44.6 | -177.6 | 179 | -172.1 | 23.3 | 0 | 0 | 112.9 | G84 R85 | Q81-G84 PolarHBondContact O-N 3.48Å; Q81-R85 PolarHBondContact O-N 2.8Å; Q81-R85 VanDerWaalsContact O-N 3.08Å |
| 82 | P | 90.8 | Very high | 92.6 | Very high | 27 Ų | 27 | 44 Ų | 44 | 18% | 0.175 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.7 | -44.4 | 169.7 | -27.3 | 33.8 | 0 | 0 | 0 | 113.5 | V58 G79 G84 R85 F86 | V58-P82 HydrophobicContact CB-CB 4.02Å; V58-P82 HydrophobicContact CB-CG 4.24Å; V58-P82 HydrophobicContact CG1-CB 3.49Å; V58-P82 VanDerWaalsContact CG1-CB 3.49Å; V58-P82 HydrophobicContact CG1-CG 3.22Å; G79-P82 WeakPolarHBondContact O-CD 3.24Å; P82-G84 PolarHBondContact O-N 3.14Å; P82-R85 WeakPolarHBondContact O-CB 3.49Å; P82-R85 PolarHBondContact O-N 2.82Å; P82-F86 PolarHBondContact O-N 3.3Å |
| 83 | C | 92.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 176.3 | -170.8 | 0 | 0 | 0 | 0 | 112.4 | W11 F77 G79 R80 R85 F86 L87 L136 I139 | W11-C83 HydrophobicContact CH2-CB 3.42Å; W11-C83 VanDerWaalsContact CH2-CB 3.42Å; W11-C83 VanDerWaalsContact CH2-SG 3.56Å; W11-C83 HydrophobicContact CZ2-CB 4.45Å; W11-C83 HydrophobicContact CZ3-CB 3.53Å; F77-C83 HydrophobicContact CB-CB 4.13Å; F77-C83 HydrophobicContact CD1-CB 3.85Å; F77-C83 HydrophobicContact CG-CB 4.14Å; G79-C83 PolarHBondContact O-N 2.91Å; R80-C83 PolarHBondContact O-N 3.24Å; C83-R85 VanDerWaalsContact C-N 3.33Å; C83-R85 PolarHBondContact O-N 2.89Å; C83-F86 WeakPolarHBondContact O-CB 3.35Å; C83-F86 PolarHBondContact O-N 2.99Å; C83-L87 WeakPolarHBondContact O-CG 3.43Å; C83-L87 PolarHBondContact O-N 2.98Å; C83-L136 HydrophobicContact CB-CD2 3.7Å; C83-I139 VanDerWaalsContact SG-CD1 3.57Å |
| 84 | G | 92.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R80 Q81 P82 L87 R88 E132 | R80-G84 PolarHBondContact O-N 3.26Å; Q81-G84 PolarHBondContact O-N 3.48Å; P82-G84 PolarHBondContact O-N 3.14Å; G84-L87 PolarHBondContact O-N 2.99Å; G84-R88 PolarHBondContact O-N 3.14Å; G84-R88 VanDerWaalsContact O-N 3.07Å; G84-E132 WeakPolarHBondContact CA-OE1 3.34Å |
| 85 | R | 92 | Very high | 92.5 | Very high | 140 Ų | 140 | 46.4 Ų | 46.4 | 53% | 0.528 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 173.2 | -69.7 | 178.2 | -175.4 | 168.4 | 3.5 | 111.7 | Q81 P82 C83 L87 R88 A89 | Q81-R85 PolarHBondContact O-N 2.8Å; Q81-R85 VanDerWaalsContact O-N 3.08Å; P82-R85 WeakPolarHBondContact O-CB 3.49Å; P82-R85 PolarHBondContact O-N 2.82Å; C83-R85 VanDerWaalsContact C-N 3.33Å; C83-R85 PolarHBondContact O-N 2.89Å; R85-L87 PolarHBondContact O-N 3.46Å; R85-R88 PolarHBondContact O-N 2.98Å; R85-A89 PolarHBondContact O-N 3.44Å |
| 86 | F | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 175.4 | 171.9 | -91.9 | 0 | 0 | 0 | 111.7 | L49 L59 L75 F77 P82 C83 R88 A89 Y90 L95 L118 | L49-F86 HydrophobicContact CD2-CE2 3.97Å; L59-F86 HydrophobicContact CD2-CD2 3.68Å; L59-F86 HydrophobicContact CD2-CE2 4.01Å; L75-F86 HydrophobicContact CD1-CE2 4.25Å; L75-F86 HydrophobicContact CD1-CZ 3.82Å; F77-F86 HydrophobicContact CE1-CB 3.96Å; F77-F86 AromaticContact CE1-CD1 3.52Å; F77-F86 HydrophobicContact CE1-CD1 3.52Å; F77-F86 HydrophobicContact CE1-CD2 4.21Å; F77-F86 HydrophobicContact CE1-CE1 4.03Å; F77-F86 AromaticContact CE1-CG 3.63Å; F77-F86 HydrophobicContact CE1-CG 3.63Å; F77-F86 AromaticContact CZ-CD1 3.68Å; F77-F86 HydrophobicContact CZ-CD1 3.68Å; F77-F86 AromaticContact CZ-CE1 3.72Å; F77-F86 HydrophobicContact CZ-CE1 3.72Å; F77-F86 HydrophobicContact CZ-CG 4.19Å; F77-F86 HydrophobicContact CZ-CZ 4.24Å; P82-F86 PolarHBondContact O-N 3.3Å; C83-F86 WeakPolarHBondContact O-CB 3.35Å; C83-F86 PolarHBondContact O-N 2.99Å; F86-R88 VanDerWaalsContact C-N 3.31Å; F86-R88 PolarHBondContact O-N 2.94Å; F86-A89 PolarHBondContact O-N 3.37Å; F86-Y90 WeakPolarHBondContact O-CB 3.47Å; F86-Y90 PolarHBondContact O-N 2.98Å; F86-L95 HydrophobicContact CE2-CD1 4.49Å; F86-L95 HydrophobicContact CE2-CD2 3.62Å; F86-L95 HydrophobicContact CZ-CD2 3.79Å; F86-L118 HydrophobicContact CE1-CD1 4.17Å; F86-L118 HydrophobicContact CE1-CD2 4.05Å; F86-L118 HydrophobicContact CZ-CD1 4.47Å |
| 87 | L | 94 | Very high | 92.6 | Very high | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -39.8 | 178.8 | -70.9 | 172.2 | 0 | 0 | 0 | 112.2 | C83 G84 R85 Y90 R91 L118 E132 C135 L136 I139 | C83-L87 WeakPolarHBondContact O-CG 3.43Å; C83-L87 PolarHBondContact O-N 2.98Å; G84-L87 PolarHBondContact O-N 2.99Å; R85-L87 PolarHBondContact O-N 3.46Å; L87-Y90 PolarHBondContact O-N 3.06Å; L87-R91 WeakPolarHBondContact O-CB 3.12Å; L87-R91 PolarHBondContact O-N 3.32Å; L87-L118 HydrophobicContact CD2-CD2 3.75Å; L87-E132 HydrophobicContact CD1-CG 4.24Å; L87-C135 HydrophobicContact CD1-CB 3.64Å; L87-C135 HydrophobicContact CD2-CB 4.26Å; L87-L136 HydrophobicContact CD1-CD2 4.08Å; L87-L136 HydrophobicContact CD1-CG 4.12Å; L87-I139 HydrophobicContact CD1-CD1 4.42Å; L87-I139 HydrophobicContact CD2-CD1 4.21Å |
| 88 | R | 93.7 | Very high | 92.7 | Very high | 89 Ų | 89 | 50 Ų | 50 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 173.7 | -83.8 | 177 | -100.7 | 123.1 | 2.4 | 112.4 | G84 R85 F86 Y90 R91 E92 E132 | G84-R88 PolarHBondContact O-N 3.14Å; G84-R88 VanDerWaalsContact O-N 3.07Å; R85-R88 PolarHBondContact O-N 2.98Å; F86-R88 VanDerWaalsContact C-N 3.31Å; F86-R88 PolarHBondContact O-N 2.94Å; R88-Y90 VanDerWaalsContact C-N 3.26Å; R88-Y90 PolarHBondContact O-N 3Å; R88-R91 PolarHBondContact O-N 3.47Å; R88-E92 WeakPolarHBondContact O-CB 3.41Å; R88-E92 WeakPolarHBondContact O-CG 3.38Å; R88-E92 PolarHBondContact O-N 2.91Å; R88-E132 IonicContact CZ-OE1 3.64Å; R88-E132 IonicContact CZ-OE2 3.95Å; R88-E132 IonicContact NE-OE1 3.42Å; R88-E132 PolarHBondContact NE-OE1 2.81Å; R88-E132 IonicContact NE-OE2 3.04Å; R88-E132 PolarHBondContact NE-OE2 3.27Å; R88-E132 IonicContact NH2-OE1 2.95Å; R88-E132 PolarHBondContact NH2-OE1 3.45Å; R88-E132 IonicContact NH2-OE2 3.91Å |
| 89 | A | 94 | Very high | 92.9 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 12% | 0.116 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -33.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S52 R85 F86 G93 A94 L95 | S52-A89 WeakPolarHBondContact O-CB 3.43Å; R85-A89 PolarHBondContact O-N 3.44Å; F86-A89 PolarHBondContact O-N 3.37Å; A89-G93 PolarHBondContact O-N 2.93Å; A89-A94 HydrophobicContact CB-CB 4.31Å; A89-A94 PolarHBondContact O-N 3.02Å; A89-L95 PolarHBondContact O-N 3.26Å; A89-L95 VanDerWaalsContact O-N 3.17Å |
| 90 | Y | 94.6 | Very high | 93.2 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 7% | 0.067 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.9 | -51.8 | 172.8 | -177.2 | -96.2 | 0 | 0 | 0 | 111.2 | L17 F86 L87 R88 E92 G93 L95 L116 E117 L118 D126 L129 | L17-Y90 HydrophobicContact CD1-CD2 4.34Å; L17-Y90 HydrophobicContact CD1-CE2 3.71Å; F86-Y90 WeakPolarHBondContact O-CB 3.47Å; F86-Y90 PolarHBondContact O-N 2.98Å; L87-Y90 PolarHBondContact O-N 3.06Å; R88-Y90 VanDerWaalsContact C-N 3.26Å; R88-Y90 PolarHBondContact O-N 3Å; Y90-E92 PolarHBondContact O-N 3.47Å; Y90-G93 PolarHBondContact O-N 3.13Å; Y90-G93 VanDerWaalsContact O-N 3.11Å; Y90-L95 HydrophobicContact CD2-CD2 3.8Å; Y90-L116 HydrophobicContact CD2-CD1 4.34Å; Y90-L116 HydrophobicContact CE2-CB 3.73Å; Y90-L116 HydrophobicContact CE2-CD1 3.91Å; Y90-L116 VanDerWaalsContact OH-C 3.27Å; Y90-L116 PolarHBondContact OH-O 2.89Å; Y90-E117 VanDerWaalsContact OH-CA 3.31Å; Y90-E117 WeakPolarHBondContact OH-CA 3.34Å; Y90-E117 PolarHBondContact OH-N 3.24Å; Y90-L118 HydrophobicContact CE1-CB 4.02Å; Y90-L118 HydrophobicContact CE2-CB 4.24Å; Y90-L118 PolarHBondContact OH-N 2.58Å; Y90-D126 VanDerWaalsContact CE1-OD1 3.25Å; Y90-D126 WeakPolarHBondContact CE1-OD1 3.47Å; Y90-D126 PolarHBondContact OH-OD1 3.34Å; Y90-L129 HydrophobicContact CD1-CD1 3.92Å; Y90-L129 HydrophobicContact CD1-CD2 3.9Å; Y90-L129 HydrophobicContact CE1-CD1 3.89Å; Y90-L129 HydrophobicContact CE1-CD2 4.24Å |
| 91 | R | 93.9 | Very high | 93.3 | Very high | 124 Ų | 124 | 53.2 Ų | 53.2 | 47% | 0.468 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | -179.8 | -176.1 | -175.4 | 69 | -179.7 | 1.3 | 112.8 | L87 R88 G93 L129 | L87-R91 WeakPolarHBondContact O-CB 3.12Å; L87-R91 PolarHBondContact O-N 3.32Å; R88-R91 PolarHBondContact O-N 3.47Å; R91-G93 PolarHBondContact O-N 3.28Å; R91-L129 HydrophobicContact CB-CD1 4.41Å; R91-L129 HydrophobicContact CG-CB 4.32Å; R91-L129 HydrophobicContact CG-CD1 4.48Å |
| 92 | E | 93.5 | Very high | 93.4 | Very high | 135 Ų | 135 | 48.2 Ų | 48.2 | 63% | 0.631 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -6.2 | 179.4 | -70.1 | 166.4 | -163.6 | 0 | 0 | 112.8 | R88 Y90 A94 | R88-E92 WeakPolarHBondContact O-CB 3.41Å; R88-E92 WeakPolarHBondContact O-CG 3.38Å; R88-E92 PolarHBondContact O-N 2.91Å; Y90-E92 PolarHBondContact O-N 3.47Å; E92-A94 PolarHBondContact O-N 3.45Å |
| 93 | G | 92.8 | Very high | 93.5 | Very high | 27 Ų | 27 | 47 Ų | 47 | 28% | 0.278 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 5.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A89 Y90 R91 L95 R96 A97 | A89-G93 PolarHBondContact O-N 2.93Å; Y90-G93 PolarHBondContact O-N 3.13Å; Y90-G93 VanDerWaalsContact O-N 3.11Å; R91-G93 PolarHBondContact O-N 3.28Å; G93-L95 PolarHBondContact O-N 3.34Å; G93-R96 WeakPolarHBondContact O-CB 3.5Å; G93-R96 PolarHBondContact O-N 3.36Å; G93-A97 PolarHBondContact O-N 2.73Å |
| 94 | A | 94 | Very high | 93.4 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 39% | 0.388 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A89 E92 R96 A97 A98 | A89-A94 HydrophobicContact CB-CB 4.31Å; A89-A94 PolarHBondContact O-N 3.02Å; E92-A94 PolarHBondContact O-N 3.45Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 3.19Å; A94-A97 PolarHBondContact O-N 3.26Å; A94-A98 WeakPolarHBondContact O-CB 3.33Å; A94-A98 PolarHBondContact O-N 3.14Å |
| 95 | L | 93.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 175.5 | -179 | 68.1 | 0 | 0 | 0 | 111.5 | L17 L49 S52 F86 A89 Y90 G93 A98 L99 L116 | L17-L95 HydrophobicContact CD2-CD2 4.07Å; L49-L95 HydrophobicContact CD2-CD1 3.94Å; S52-L95 WeakPolarHBondContact OG-CA 3.48Å; F86-L95 HydrophobicContact CE2-CD1 4.49Å; F86-L95 HydrophobicContact CE2-CD2 3.62Å; F86-L95 HydrophobicContact CZ-CD2 3.79Å; A89-L95 PolarHBondContact O-N 3.26Å; A89-L95 VanDerWaalsContact O-N 3.17Å; Y90-L95 HydrophobicContact CD2-CD2 3.8Å; G93-L95 PolarHBondContact O-N 3.34Å; L95-A98 PolarHBondContact O-N 3.4Å; L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CG 4.41Å; L95-L99 HydrophobicContact CD2-CD1 4.43Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.47Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 WeakPolarHBondContact O-CG 3.34Å; L95-L99 PolarHBondContact O-N 2.93Å; L95-L116 HydrophobicContact CD2-CD1 4.35Å; L95-L116 HydrophobicContact CG-CD1 4.43Å |
| 96 | R | 94.3 | Very high | 93.2 | Very high | 103 Ų | 103 | 45.9 Ų | 45.9 | 39% | 0.389 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 177.1 | -173 | -176.7 | -65.8 | -165 | -0.7 | 110.6 | G93 A94 A98 L99 Q100 L114 L116 | G93-R96 WeakPolarHBondContact O-CB 3.5Å; G93-R96 PolarHBondContact O-N 3.36Å; A94-R96 VanDerWaalsContact C-N 3.32Å; A94-R96 PolarHBondContact O-N 3.19Å; R96-A98 VanDerWaalsContact C-N 3.35Å; R96-A98 PolarHBondContact O-N 3.38Å; R96-L99 PolarHBondContact O-N 3.48Å; R96-Q100 HydrophobicContact CG-CG 4.37Å; R96-Q100 WeakPolarHBondContact O-CB 3.26Å; R96-Q100 WeakPolarHBondContact O-CG 3.25Å; R96-Q100 PolarHBondContact O-N 3.5Å; R96-L114 WeakPolarHBondContact CD-O 3.5Å; R96-L116 HydrophobicContact CB-CD1 3.74Å; R96-L116 HydrophobicContact CB-CG 4.39Å; R96-L116 HydrophobicContact CG-CD1 4.22Å; R96-L116 HydrophobicContact CG-CG 4.33Å |
| 97 | A | 94.1 | Very high | 92.9 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G93 A94 Q100 R101 | G93-A97 PolarHBondContact O-N 2.73Å; A94-A97 PolarHBondContact O-N 3.26Å; A97-Q100 PolarHBondContact O-N 3.46Å; A97-R101 WeakPolarHBondContact O-CG 3.29Å; A97-R101 PolarHBondContact O-N 3.26Å; A97-R101 VanDerWaalsContact O-N 3.09Å; A97-R101 PolarHBondContact O-NE 3.28Å |
| 98 | A | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A48 A94 L95 R96 R101 S102 | A48-A98 HydrophobicContact CB-CB 3.95Å; A94-A98 WeakPolarHBondContact O-CB 3.33Å; A94-A98 PolarHBondContact O-N 3.14Å; L95-A98 PolarHBondContact O-N 3.4Å; R96-A98 VanDerWaalsContact C-N 3.35Å; R96-A98 PolarHBondContact O-N 3.38Å; A98-R101 PolarHBondContact O-N 3Å; A98-S102 VanDerWaalsContact O-CB 3.31Å; A98-S102 WeakPolarHBondContact O-CB 3.38Å; A98-S102 PolarHBondContact O-N 2.99Å; A98-S102 PolarHBondContact O-OG 2.91Å |
| 99 | L | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 175.5 | -77.9 | 169.8 | 0 | 0 | 0 | 112 | L17 L45 A48 L95 R96 R101 S102 L103 L114 L116 | L17-L99 HydrophobicContact CD2-CD1 4.46Å; L45-L99 HydrophobicContact CD2-CD2 3.66Å; A48-L99 HydrophobicContact CB-CB 4.39Å; A48-L99 HydrophobicContact CB-CD2 3.56Å; A48-L99 HydrophobicContact CB-CG 3.74Å; L95-L99 HydrophobicContact CD1-CD1 4.29Å; L95-L99 HydrophobicContact CD1-CG 4.41Å; L95-L99 HydrophobicContact CD2-CD1 4.43Å; L95-L99 HydrophobicContact CG-CD1 3.96Å; L95-L99 HydrophobicContact CG-CG 4.47Å; L95-L99 WeakPolarHBondContact O-CB 3.48Å; L95-L99 WeakPolarHBondContact O-CG 3.34Å; L95-L99 PolarHBondContact O-N 2.93Å; R96-L99 PolarHBondContact O-N 3.48Å; L99-R101 PolarHBondContact O-N 3.29Å; L99-S102 PolarHBondContact O-N 3.09Å; L99-L103 VanDerWaalsContact O-CB 3.25Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 2.91Å; L99-L114 HydrophobicContact CB-CD1 3.68Å; L99-L116 HydrophobicContact CD1-CD1 3.98Å; L99-L116 HydrophobicContact CD1-CD2 3.73Å |
| 100 | Q | 94 | Very high | 91.9 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 178.8 | -72.7 | -178.5 | -63 | 0 | 0 | 111.8 | R96 A97 A104 V112 L114 | R96-Q100 HydrophobicContact CG-CG 4.37Å; R96-Q100 WeakPolarHBondContact O-CB 3.26Å; R96-Q100 WeakPolarHBondContact O-CG 3.25Å; R96-Q100 PolarHBondContact O-N 3.5Å; A97-Q100 PolarHBondContact O-N 3.46Å; Q100-A104 WeakPolarHBondContact O-CB 3.26Å; Q100-A104 PolarHBondContact O-N 3.08Å; Q100-V112 VanDerWaalsContact CG-O 3.24Å; Q100-V112 WeakPolarHBondContact CG-O 3.29Å; Q100-V112 PolarHBondContact NE2-O 2.86Å; Q100-L114 HydrophobicContact CB-CD1 4.31Å; Q100-L114 HydrophobicContact CG-CB 3.88Å; Q100-L114 HydrophobicContact CG-CD1 3.63Å; Q100-L114 HydrophobicContact CG-CG 3.72Å |
| 101 | R | 93.6 | Very high | 91.5 | Very high | 148 Ų | 148 | 65.4 Ų | 65.4 | 56% | 0.558 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.5 | -47.6 | 176.9 | -73 | -176.1 | -65 | 146.8 | 1.5 | 111.6 | E51 A97 A98 L99 A105 | E51-R101 IonicContact OE1-CZ 3.83Å; E51-R101 IonicContact OE1-NH2 3.76Å; E51-R101 PolarHBondContact OE1-NH2 3.47Å; E51-R101 IonicContact OE2-NH2 3.83Å; E51-R101 PolarHBondContact OE2-NH2 2.95Å; A97-R101 WeakPolarHBondContact O-CG 3.29Å; A97-R101 PolarHBondContact O-N 3.26Å; A97-R101 VanDerWaalsContact O-N 3.09Å; A97-R101 PolarHBondContact O-NE 3.28Å; A98-R101 PolarHBondContact O-N 3Å; L99-R101 PolarHBondContact O-N 3.29Å; R101-A105 PolarHBondContact O-N 3.47Å; R101-A105 VanDerWaalsContact O-N 3.14Å |
| 102 | S | 92.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 18% | 0.175 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.8 | -42.6 | -174.8 | -57 | 0 | 0 | 0 | 0 | 112.1 | A44 A98 L99 A105 A106 | A44-S102 WeakPolarHBondContact CB-O 3.5Å; A98-S102 VanDerWaalsContact O-CB 3.31Å; A98-S102 WeakPolarHBondContact O-CB 3.38Å; A98-S102 PolarHBondContact O-N 2.99Å; A98-S102 PolarHBondContact O-OG 2.91Å; L99-S102 PolarHBondContact O-N 3.09Å; S102-A105 PolarHBondContact O-N 2.99Å; S102-A106 WeakPolarHBondContact O-CB 3.49Å; S102-A106 PolarHBondContact O-N 2.86Å |
| 103 | L | 92 | Very high | 91.1 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.7 | -36.1 | 178.1 | -72.8 | 168.5 | 0 | 0 | 0 | 112.1 | V19 V41 A44 L99 A105 A106 L107 L114 | V19-L103 HydrophobicContact CG1-CD1 4.4Å; V41-L103 HydrophobicContact CG1-CD2 4.01Å; A44-L103 HydrophobicContact CB-CD2 3.91Å; A44-L103 HydrophobicContact CB-CG 4.24Å; L99-L103 VanDerWaalsContact O-CB 3.25Å; L99-L103 WeakPolarHBondContact O-CB 3.36Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 2.91Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.73Å; L103-A106 PolarHBondContact O-N 3.45Å; L103-L107 WeakPolarHBondContact O-CB 2.92Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 3.47Å; L103-L114 HydrophobicContact CD1-CD1 3.71Å; L103-L114 HydrophobicContact CD1-CD2 4.25Å |
| 104 | A | 91.3 | Very high | 91.1 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q100 A108 Q109 V112 | Q100-A104 WeakPolarHBondContact O-CB 3.26Å; Q100-A104 PolarHBondContact O-N 3.08Å; A104-A108 PolarHBondContact O-N 3.3Å; A104-A108 VanDerWaalsContact O-N 3.15Å; A104-Q109 CarbonylContact C-O 3.55Å; A104-Q109 PolarHBondContact O-N 3.23Å; A104-V112 HydrophobicContact CB-CG2 4.11Å |
| 105 | A | 90.4 | Very high | 91.1 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 66% | 0.661 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R101 S102 L103 L107 A108 | R101-A105 PolarHBondContact O-N 3.47Å; R101-A105 VanDerWaalsContact O-N 3.14Å; S102-A105 PolarHBondContact O-N 2.99Å; L103-A105 VanDerWaalsContact C-N 3.31Å; L103-A105 PolarHBondContact O-N 2.73Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 PolarHBondContact O-N 3Å; A105-A108 PolarHBondContact O-N 3.2Å |
| 106 | A | 89.2 | Confident | 91.1 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -33.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A40 A44 S102 L103 | A40-A106 HydrophobicContact CB-CB 3.95Å; A44-A106 HydrophobicContact CB-CB 3.95Å; S102-A106 WeakPolarHBondContact O-CB 3.49Å; S102-A106 PolarHBondContact O-N 2.86Å; L103-A106 PolarHBondContact O-N 3.45Å |
| 107 | L | 87.9 | Confident | 91.1 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 4.8 | -179 | -59.8 | 174.9 | 0 | 0 | 0 | 113.1 | V26 L28 A31 V41 L103 A105 Q109 | V26-L107 HydrophobicContact CG1-CD1 3.67Å; L28-L107 HydrophobicContact CD2-CD1 3.99Å; A31-L107 HydrophobicContact CB-CD2 3.73Å; V41-L107 HydrophobicContact CG2-CD2 3.92Å; L103-L107 WeakPolarHBondContact O-CB 2.92Å; L103-L107 VanDerWaalsContact O-CG 3.27Å; L103-L107 WeakPolarHBondContact O-CG 3.38Å; L103-L107 PolarHBondContact O-N 3.47Å; A105-L107 VanDerWaalsContact C-N 3.31Å; A105-L107 PolarHBondContact O-N 3Å; L107-Q109 HydrophobicContact CB-CG 3.88Å; L107-Q109 PolarHBondContact O-N 2.88Å |
| 108 | A | 88.3 | Confident | 91.2 | Very high | 94 Ų | 94 | 51.2 Ų | 51.2 | 78% | 0.777 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 36.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A104 A105 | A104-A108 PolarHBondContact O-N 3.3Å; A104-A108 VanDerWaalsContact O-N 3.15Å; A105-A108 PolarHBondContact O-N 3.2Å |
| 109 | Q | 87.4 | Confident | 91.2 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | trans | -99.8 | 148.9 | 177.7 | -65.5 | -64.2 | -29.5 | 0 | 0 | 110.6 | V26 A104 L107 V112 | V26-Q109 HydrophobicContact CG2-CG 4.42Å; A104-Q109 CarbonylContact C-O 3.55Å; A104-Q109 PolarHBondContact O-N 3.23Å; L107-Q109 HydrophobicContact CB-CG 3.88Å; L107-Q109 PolarHBondContact O-N 2.88Å; Q109-V112 HydrophobicContact CB-CG2 3.93Å; Q109-V112 HydrophobicContact CG-CG2 4.32Å | ||
| 110 | R | 85.9 | Confident | 91.2 | Very high | 248 Ų | 248 | 55.5 Ų | 55.5 | 94% | 0.936 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -67.6 | -37.6 | 176.3 | -175.9 | 174.4 | 177.7 | 157.8 | -0.1 | 112.3 | ||
| 111 | S | 86.1 | Confident | 90.8 | Very high | 81 Ų | 81 | 54 Ų | 54 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | trans | -158.2 | 150.4 | 175.3 | 59 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 112 | V | 87.7 | Confident | 90.4 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.018 | 31% | 0.312 | C | S | . | . | trans | -128 | 118.9 | 173.9 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | S21 Q100 A104 Q109 L114 | S21-V112 WeakPolarHBondContact OG-CG1 3.49Å; Q100-V112 VanDerWaalsContact CG-O 3.24Å; Q100-V112 WeakPolarHBondContact CG-O 3.29Å; Q100-V112 PolarHBondContact NE2-O 2.86Å; A104-V112 HydrophobicContact CB-CG2 4.11Å; Q109-V112 HydrophobicContact CB-CG2 3.93Å; Q109-V112 HydrophobicContact CG-CG2 4.32Å; V112-L114 HydrophobicContact CG1-CD2 3.56Å; V112-L114 HydrophobicContact CG1-CG 3.98Å | ||
| 113 | A | 91.1 | Very high | 90.3 | Very high | 37 Ų | 37 | 55.3 Ų | 55.3 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | trans | -78.1 | 126 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S21 S22 | S21-A113 WeakPolarHBondContact CA-O 3.49Å; S21-A113 PolarHBondContact OG-O 3.16Å; S22-A113 PolarHBondContact N-O 3.07Å | ||
| 114 | L | 93 | Very high | 90.4 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138 | -178.1 | -65.1 | 176.3 | 0 | 0 | 0 | 111.4 | V19 E20 L28 R96 L99 Q100 L103 V112 | V19-L114 HydrophobicContact CG1-CD1 4.46Å; V19-L114 HydrophobicContact CG1-CD2 4.16Å; E20-L114 CarbonylContact O-C 3.33Å; E20-L114 VanDerWaalsContact O-CA 3.29Å; E20-L114 WeakPolarHBondContact O-CA 3.38Å; L28-L114 HydrophobicContact CD1-CD2 3.96Å; R96-L114 WeakPolarHBondContact CD-O 3.5Å; L99-L114 HydrophobicContact CB-CD1 3.68Å; Q100-L114 HydrophobicContact CB-CD1 4.31Å; Q100-L114 HydrophobicContact CG-CB 3.88Å; Q100-L114 HydrophobicContact CG-CD1 3.63Å; Q100-L114 HydrophobicContact CG-CG 3.72Å; L103-L114 HydrophobicContact CD1-CD1 3.71Å; L103-L114 HydrophobicContact CD1-CD2 4.25Å; V112-L114 HydrophobicContact CG1-CD2 3.56Å; V112-L114 HydrophobicContact CG1-CG 3.98Å |
| 115 | Q | 93.1 | Very high | 90.4 | Very high | 97 Ų | 97 | 60 Ų | 60 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 135.5 | 162.8 | -68.9 | -179.2 | 13.5 | 0 | 0 | 108.5 | E20 S22 | E20-Q115 PolarHBondContact N-O 2.57Å; E20-Q115 PolarHBondContact O-N 3.02Å; S22-Q115 WeakPolarHBondContact OG-CG 3.5Å; S22-Q115 PolarHBondContact OG-NE2 3.24Å |
| 116 | L | 94.4 | Very high | 90.5 | Very high | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 140.8 | 176.5 | -53.5 | -177.9 | 0 | 0 | 0 | 108.4 | L17 F18 V19 Y90 L95 R96 L99 | L17-L116 HydrophobicContact CD1-CB 4.33Å; F18-L116 VanDerWaalsContact O-CA 3.27Å; F18-L116 WeakPolarHBondContact O-CA 3.5Å; V19-L116 HydrophobicContact CB-CD2 4.27Å; V19-L116 HydrophobicContact CG1-CD2 3.92Å; V19-L116 HydrophobicContact CG2-CD2 3.97Å; Y90-L116 HydrophobicContact CD2-CD1 4.34Å; Y90-L116 HydrophobicContact CE2-CB 3.73Å; Y90-L116 HydrophobicContact CE2-CD1 3.91Å; Y90-L116 VanDerWaalsContact OH-C 3.27Å; Y90-L116 PolarHBondContact OH-O 2.89Å; L95-L116 HydrophobicContact CD2-CD1 4.35Å; L95-L116 HydrophobicContact CG-CD1 4.43Å; R96-L116 HydrophobicContact CB-CD1 3.74Å; R96-L116 HydrophobicContact CB-CG 4.39Å; R96-L116 HydrophobicContact CG-CD1 4.22Å; R96-L116 HydrophobicContact CG-CG 4.33Å; L99-L116 HydrophobicContact CD1-CD1 3.98Å; L99-L116 HydrophobicContact CD1-CD2 3.73Å |
| 117 | E | 95 | Very high | 90.5 | Very high | 33 Ų | 33 | 60.7 Ų | 60.7 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 141.2 | 165.6 | -44.2 | -166.3 | 147.2 | 0 | 0 | 109.7 | F18 Y90 R119 R124 D126 | F18-E117 HydrophobicContact CB-CB 3.98Å; F18-E117 HydrophobicContact CB-CG 4.43Å; F18-E117 HydrophobicContact CD2-CB 4.42Å; F18-E117 HydrophobicContact CG-CB 4.42Å; F18-E117 PolarHBondContact N-O 3.05Å; F18-E117 PolarHBondContact O-N 2.77Å; Y90-E117 VanDerWaalsContact OH-CA 3.31Å; Y90-E117 WeakPolarHBondContact OH-CA 3.34Å; Y90-E117 PolarHBondContact OH-N 3.24Å; E117-R119 IonicContact OE2-CZ 2.73Å; E117-R119 IonicContact OE2-NE 2.66Å; E117-R119 IonicContact OE2-NH2 2.95Å; E117-R119 PolarHBondContact OE2-NH2 3.05Å; E117-R124 IonicContact OE1-CZ 2.93Å; E117-R124 IonicContact OE1-NH1 3.27Å; E117-R124 PolarHBondContact OE1-NH1 3.19Å; E117-R124 IonicContact OE1-NH2 2.68Å; E117-R124 PolarHBondContact OE1-NH2 3.44Å; E117-R124 IonicContact OE2-CZ 3.75Å; E117-R124 IonicContact OE2-NH2 3.65Å; E117-D126 WeakPolarHBondContact CA-OD2 3.46Å; E117-D126 WeakPolarHBondContact CB-OD2 3.21Å |
| 118 | L | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.5 | 179.4 | -169.1 | 71.1 | 0 | 0 | 0 | 110 | A15 L17 F86 L87 Y90 L125 D126 | A15-L118 HydrophobicContact CB-CD1 4.21Å; L17-L118 HydrophobicContact CB-CD1 4.28Å; L17-L118 HydrophobicContact CD1-CD1 4.16Å; F86-L118 HydrophobicContact CE1-CD1 4.17Å; F86-L118 HydrophobicContact CE1-CD2 4.05Å; F86-L118 HydrophobicContact CZ-CD1 4.47Å; L87-L118 HydrophobicContact CD2-CD2 3.75Å; Y90-L118 HydrophobicContact CE1-CB 4.02Å; Y90-L118 HydrophobicContact CE2-CB 4.24Å; Y90-L118 PolarHBondContact OH-N 2.58Å; L118-L125 HydrophobicContact CB-CB 4.26Å; L118-L125 HydrophobicContact CD2-CB 4.1Å; L118-L125 HydrophobicContact CD2-CD1 3.76Å; L118-L125 HydrophobicContact CG-CB 4.2Å; L118-L125 HydrophobicContact CG-CD1 3.96Å; L118-L125 HydrophobicContact CG-CG 4.46Å; L118-L125 WeakPolarHBondContact O-CB 3.46Å; L118-L125 PolarHBondContact O-N 2.95Å; L118-D126 PolarHBondContact N-OD1 2.85Å; L118-D126 PolarHBondContact N-OD2 3.47Å; L118-D126 VanDerWaalsContact N-OD2 3.11Å |
| 119 | R | 94.5 | Very high | 90.6 | Very high | 89 Ų | 89 | 58.2 Ų | 58.2 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.9 | -179.5 | -53 | -171.4 | -173.2 | -177.5 | 1.7 | 111.8 | A15 Y16 F18 E117 E123 | A15-R119 CarbonylContact C-O 3.59Å; A15-R119 WeakPolarHBondContact CA-O 3.35Å; A15-R119 WeakPolarHBondContact CB-O 3.42Å; Y16-R119 PolarHBondContact N-O 3.43Å; Y16-R119 PolarHBondContact O-N 2.97Å; F18-R119 HydrophobicContact CD2-CG 4.07Å; F18-R119 HydrophobicContact CE2-CB 3.95Å; F18-R119 VanDerWaalsContact CE2-CD 3.48Å; F18-R119 HydrophobicContact CE2-CG 3.64Å; F18-R119 HydrophobicContact CZ-CG 4.47Å; E117-R119 IonicContact OE2-CZ 2.73Å; E117-R119 IonicContact OE2-NE 2.66Å; E117-R119 IonicContact OE2-NH2 2.95Å; E117-R119 PolarHBondContact OE2-NH2 3.05Å; R119-E123 CarbonylContact C-O 3.43Å; R119-E123 VanDerWaalsContact CA-O 3.27Å; R119-E123 WeakPolarHBondContact CA-O 3.21Å |
| 120 | A | 92.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 101.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | A122 E123 L125 C138 I139 Q142 | A120-A122 PolarHBondContact O-N 3.44Å; A120-E123 PolarHBondContact N-O 3.44Å; A120-E123 PolarHBondContact O-N 2.9Å; A120-E123 VanDerWaalsContact O-N 3.14Å; A120-L125 HydrophobicContact CB-CD1 4.01Å; A120-L125 HydrophobicContact CB-CD2 4.14Å; A120-L125 HydrophobicContact CB-CG 4.19Å; A120-C138 HydrophobicContact CB-CB 4.08Å; A120-I139 HydrophobicContact CB-CG1 4.17Å; A120-Q142 HydrophobicContact CB-CG 4.04Å |
| 121 | G | 86 | Confident | 91.1 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 33% | 0.33 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -124.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 122 | A | 85.6 | Confident | 91.4 | Very high | 108 Ų | 108 | 48.9 Ų | 48.9 | 89% | 0.893 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A120 | A120-A122 PolarHBondContact O-N 3.44Š|
| 123 | E | 90.1 | Very high | 91.5 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 43% | 0.425 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.5 | -174.8 | -66.4 | -69.5 | 165.3 | 0 | 0 | 111.1 | R119 A120 | R119-E123 CarbonylContact C-O 3.43Å; R119-E123 VanDerWaalsContact CA-O 3.27Å; R119-E123 WeakPolarHBondContact CA-O 3.21Å; A120-E123 PolarHBondContact N-O 3.44Å; A120-E123 PolarHBondContact O-N 2.9Å; A120-E123 VanDerWaalsContact O-N 3.14Å |
| 124 | R | 93.6 | Very high | 91.6 | Very high | 111 Ų | 111 | 58.6 Ų | 58.6 | 42% | 0.419 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 106.6 | 171.5 | -174.1 | 179.3 | -179.3 | 161.9 | 4.1 | 109.5 | E117 D126 A127 | E117-R124 IonicContact OE1-CZ 2.93Å; E117-R124 IonicContact OE1-NH1 3.27Å; E117-R124 PolarHBondContact OE1-NH1 3.19Å; E117-R124 IonicContact OE1-NH2 2.68Å; E117-R124 PolarHBondContact OE1-NH2 3.44Å; E117-R124 IonicContact OE2-CZ 3.75Å; E117-R124 IonicContact OE2-NH2 3.65Å; R124-D126 HydrophobicContact CG-CB 4.12Å; R124-D126 WeakPolarHBondContact CG-OD2 3.32Å; R124-D126 IonicContact CZ-OD2 2.96Å; R124-D126 IonicContact NE-OD2 2.72Å; R124-D126 PolarHBondContact NE-OD2 2.84Å; R124-D126 IonicContact NH2-OD2 3.33Å; R124-D126 PolarHBondContact O-N 3.5Å; R124-A127 PolarHBondContact O-N 2.76Å |
| 125 | L | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -68.6 | -23.2 | -175.7 | -58.9 | -171.2 | 0 | 0 | 0 | 112.8 | L118 A120 A127 L128 L129 C135 C138 I139 | L118-L125 HydrophobicContact CB-CB 4.26Å; L118-L125 HydrophobicContact CD2-CB 4.1Å; L118-L125 HydrophobicContact CD2-CD1 3.76Å; L118-L125 HydrophobicContact CG-CB 4.2Å; L118-L125 HydrophobicContact CG-CD1 3.96Å; L118-L125 HydrophobicContact CG-CG 4.46Å; L118-L125 WeakPolarHBondContact O-CB 3.46Å; L118-L125 PolarHBondContact O-N 2.95Å; A120-L125 HydrophobicContact CB-CD1 4.01Å; A120-L125 HydrophobicContact CB-CD2 4.14Å; A120-L125 HydrophobicContact CB-CG 4.19Å; L125-A127 PolarHBondContact O-N 2.87Å; L125-A127 VanDerWaalsContact O-N 3.16Å; L125-L128 HydrophobicContact CD2-CD1 4.49Å; L125-L128 CarbonylContact O-C 3.57Å; L125-L128 WeakPolarHBondContact O-CA 3.41Å; L125-L128 PolarHBondContact O-N 3Å; L125-L129 WeakPolarHBondContact O-CG 3.38Å; L125-L129 PolarHBondContact O-N 2.86Å; L125-L129 VanDerWaalsContact O-N 3.11Å; L125-C135 HydrophobicContact CD2-CB 4.49Å; L125-C138 HydrophobicContact CD2-CB 3.76Å; L125-I139 HydrophobicContact CD1-CD1 3.73Å; L125-I139 HydrophobicContact CD1-CG1 3.64Å |
| 126 | D | 91.4 | Very high | 91.6 | Very high | 38 Ų | 38 | 54 Ų | 54 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -54.3 | -34.9 | 176.2 | -57 | -65.2 | 0 | 0 | 0 | 112.8 | Y90 E117 L118 R124 L128 | Y90-D126 VanDerWaalsContact CE1-OD1 3.25Å; Y90-D126 WeakPolarHBondContact CE1-OD1 3.47Å; Y90-D126 PolarHBondContact OH-OD1 3.34Å; E117-D126 WeakPolarHBondContact CA-OD2 3.46Å; E117-D126 WeakPolarHBondContact CB-OD2 3.21Å; L118-D126 PolarHBondContact N-OD1 2.85Å; L118-D126 PolarHBondContact N-OD2 3.47Å; L118-D126 VanDerWaalsContact N-OD2 3.11Å; R124-D126 HydrophobicContact CG-CB 4.12Å; R124-D126 WeakPolarHBondContact CG-OD2 3.32Å; R124-D126 IonicContact CZ-OD2 2.96Å; R124-D126 IonicContact NE-OD2 2.72Å; R124-D126 PolarHBondContact NE-OD2 2.84Å; R124-D126 IonicContact NH2-OD2 3.33Å; R124-D126 PolarHBondContact O-N 3.5Å; D126-L128 VanDerWaalsContact C-N 3.3Å |
| 127 | A | 89.7 | Confident | 91.5 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 70% | 0.702 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -78.3 | -16.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R124 L125 | R124-A127 PolarHBondContact O-N 2.76Å; L125-A127 PolarHBondContact O-N 2.87Å; L125-A127 VanDerWaalsContact O-N 3.16Å |
| 128 | L | 90.2 | Very high | 91.4 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 2.7 | -173.7 | -57.2 | 177.5 | 0 | 0 | 0 | 112.7 | L125 D126 A130 D131 R134 C135 | L125-L128 HydrophobicContact CD2-CD1 4.49Å; L125-L128 CarbonylContact O-C 3.57Å; L125-L128 WeakPolarHBondContact O-CA 3.41Å; L125-L128 PolarHBondContact O-N 3Å; D126-L128 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.07Å; L128-D131 CarbonylContact O-C 3.54Å; L128-D131 WeakPolarHBondContact O-CA 3.18Å; L128-D131 PolarHBondContact O-N 2.91Å; L128-D131 VanDerWaalsContact O-O 3.08Å; L128-R134 HydrophobicContact CD1-CG 4.32Å; L128-C135 VanDerWaalsContact C-SG 3.53Å; L128-C135 PolarHBondContact O-SG 2.92Å |
| 129 | L | 88.6 | Confident | 91.3 | Very high | 32 Ų | 32 | 56.3 Ų | 56.3 | 17% | 0.168 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -17.4 | -175.7 | -63.3 | 177.2 | 0 | 0 | 0 | 115 | Y90 R91 L125 D131 | Y90-L129 HydrophobicContact CD1-CD1 3.92Å; Y90-L129 HydrophobicContact CD1-CD2 3.9Å; Y90-L129 HydrophobicContact CE1-CD1 3.89Å; Y90-L129 HydrophobicContact CE1-CD2 4.24Å; R91-L129 HydrophobicContact CB-CD1 4.41Å; R91-L129 HydrophobicContact CG-CB 4.32Å; R91-L129 HydrophobicContact CG-CD1 4.48Å; L125-L129 WeakPolarHBondContact O-CG 3.38Å; L125-L129 PolarHBondContact O-N 2.86Å; L125-L129 VanDerWaalsContact O-N 3.11Å; L129-D131 VanDerWaalsContact C-N 3.26Å |
| 130 | A | 90 | Very high | 91.1 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 83% | 0.826 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -28.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | L128 | L128-A130 PolarHBondContact O-N 3.07Š|
| 131 | D | 92.5 | Very high | 91 | Very high | 75 Ų | 75 | 59 Ų | 59 | 40% | 0.401 | 35% | 0.353 | S | S | . | . | trans | -112.9 | 90.8 | -179.3 | -171 | -17 | 0 | 0 | 0 | 110 | L128 L129 E133 R134 C135 | L128-D131 CarbonylContact O-C 3.54Å; L128-D131 WeakPolarHBondContact O-CA 3.18Å; L128-D131 PolarHBondContact O-N 2.91Å; L128-D131 VanDerWaalsContact O-O 3.08Å; L129-D131 VanDerWaalsContact C-N 3.26Å; D131-E133 PolarHBondContact O-N 3.07Å; D131-E133 WeakPolarHBondContact OD1-CB 3.46Å; D131-E133 PolarHBondContact OD1-N 3.25Å; D131-R134 HydrophobicContact CB-CB 4.08Å; D131-R134 PolarHBondContact O-N 2.95Å; D131-R134 PolarHBondContact OD1-N 3.49Å; D131-R134 VanDerWaalsContact OD1-N 3.09Å; D131-C135 PolarHBondContact O-N 3.21Å; D131-C135 PolarHBondContact O-SG 3.3Å; D131-C135 VanDerWaalsContact O-SG 3.38Å | ||
| 132 | E | 92 | Very high | 91.1 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 25% | 0.248 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.6 | -36.1 | -179.9 | -170.9 | 172.3 | 152.1 | 0 | 0 | 111.2 | G84 L87 R88 C135 L136 | G84-E132 WeakPolarHBondContact CA-OE1 3.34Å; L87-E132 HydrophobicContact CD1-CG 4.24Å; R88-E132 IonicContact CZ-OE1 3.64Å; R88-E132 IonicContact CZ-OE2 3.95Å; R88-E132 IonicContact NE-OE1 3.42Å; R88-E132 PolarHBondContact NE-OE1 2.81Å; R88-E132 IonicContact NE-OE2 3.04Å; R88-E132 PolarHBondContact NE-OE2 3.27Å; R88-E132 IonicContact NH2-OE1 2.95Å; R88-E132 PolarHBondContact NH2-OE1 3.45Å; R88-E132 IonicContact NH2-OE2 3.91Å; E132-C135 PolarHBondContact O-N 3.4Å; E132-L136 HydrophobicContact CG-CD1 4.22Å; E132-L136 VanDerWaalsContact O-CG 3.25Å; E132-L136 WeakPolarHBondContact O-CG 3.34Å; E132-L136 PolarHBondContact O-N 3.05Å |
| 133 | E | 91.6 | Very high | 90.7 | Very high | 107 Ų | 107 | 63.1 Ų | 63.1 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | -177.4 | -70.7 | -67.7 | 125 | 0 | 0 | 112.1 | R80 D131 L136 S137 | R80-E133 IonicContact CZ-OE1 3.92Å; R80-E133 IonicContact CZ-OE2 3.77Å; R80-E133 IonicContact NH2-OE1 2.73Å; R80-E133 PolarHBondContact NH2-OE1 2.87Å; R80-E133 IonicContact NH2-OE2 2.56Å; R80-E133 PolarHBondContact NH2-OE2 3.35Å; D131-E133 PolarHBondContact O-N 3.07Å; D131-E133 WeakPolarHBondContact OD1-CB 3.46Å; D131-E133 PolarHBondContact OD1-N 3.25Å; E133-L136 PolarHBondContact O-N 3.48Å; E133-S137 WeakPolarHBondContact O-CB 3.47Å; E133-S137 PolarHBondContact O-N 2.81Å; E133-S137 PolarHBondContact O-OG 2.95Å |
| 134 | R | 92.5 | Very high | 89.9 | Confident | 137 Ų | 137 | 60.4 Ų | 60.4 | 52% | 0.517 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 175.3 | -167.6 | 167.5 | 177.4 | 170.6 | -1 | 111.5 | L128 D131 S137 C138 | L128-R134 HydrophobicContact CD1-CG 4.32Å; D131-R134 HydrophobicContact CB-CB 4.08Å; D131-R134 PolarHBondContact O-N 2.95Å; D131-R134 PolarHBondContact OD1-N 3.49Å; D131-R134 VanDerWaalsContact OD1-N 3.09Å; R134-S137 PolarHBondContact O-N 2.99Å; R134-C138 PolarHBondContact O-N 3.49Å; R134-C138 PolarHBondContact O-SG 3.5Å |
| 135 | C | 93.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.7 | -47.2 | 174.5 | -68.5 | 0 | 0 | 0 | 0 | 112 | L87 L125 L128 D131 E132 S137 C138 I139 | L87-C135 HydrophobicContact CD1-CB 3.64Å; L87-C135 HydrophobicContact CD2-CB 4.26Å; L125-C135 HydrophobicContact CD2-CB 4.49Å; L128-C135 VanDerWaalsContact C-SG 3.53Å; L128-C135 PolarHBondContact O-SG 2.92Å; D131-C135 PolarHBondContact O-N 3.21Å; D131-C135 PolarHBondContact O-SG 3.3Å; D131-C135 VanDerWaalsContact O-SG 3.38Å; E132-C135 PolarHBondContact O-N 3.4Å; C135-S137 VanDerWaalsContact C-N 3.28Å; C135-S137 PolarHBondContact O-N 3.42Å; C135-C138 PolarHBondContact O-N 2.92Å; C135-I139 WeakPolarHBondContact O-CG1 3.39Å; C135-I139 PolarHBondContact O-N 3.25Å |
| 136 | L | 92.7 | Very high | 87 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.1 | -39.8 | 177.3 | -71.7 | 169 | 0 | 0 | 0 | 111.9 | W11 R80 C83 L87 E132 E133 I139 L140 | W11-L136 HydrophobicContact CH2-CD2 4.07Å; W11-L136 HydrophobicContact CZ2-CB 4.4Å; W11-L136 HydrophobicContact CZ2-CD2 3.92Å; R80-L136 HydrophobicContact CG-CD1 4.12Å; R80-L136 HydrophobicContact CG-CD2 4.37Å; C83-L136 HydrophobicContact CB-CD2 3.7Å; L87-L136 HydrophobicContact CD1-CD2 4.08Å; L87-L136 HydrophobicContact CD1-CG 4.12Å; E132-L136 HydrophobicContact CG-CD1 4.22Å; E132-L136 VanDerWaalsContact O-CG 3.25Å; E132-L136 WeakPolarHBondContact O-CG 3.34Å; E132-L136 PolarHBondContact O-N 3.05Å; E133-L136 PolarHBondContact O-N 3.48Å; L136-I139 PolarHBondContact O-N 2.82Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 3.1Å |
| 137 | S | 92.2 | Very high | 86 | Confident | 68 Ų | 68 | 72.6 Ų | 72.6 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 178 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | E133 R134 C135 L140 A141 | E133-S137 WeakPolarHBondContact O-CB 3.47Å; E133-S137 PolarHBondContact O-N 2.81Å; E133-S137 PolarHBondContact O-OG 2.95Å; R134-S137 PolarHBondContact O-N 2.99Å; C135-S137 VanDerWaalsContact C-N 3.28Å; C135-S137 PolarHBondContact O-N 3.42Å; S137-L140 PolarHBondContact O-N 3.48Å; S137-A141 WeakPolarHBondContact O-CB 3.28Å; S137-A141 PolarHBondContact O-N 2.95Å |
| 138 | C | 92.8 | Very high | 85.3 | Confident | 22 Ų | 22 | 72.8 Ų | 72.8 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 174.9 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | A120 L125 R134 C135 A141 | A120-C138 HydrophobicContact CB-CB 4.08Å; L125-C138 HydrophobicContact CD2-CB 3.76Å; R134-C138 PolarHBondContact O-N 3.49Å; R134-C138 PolarHBondContact O-SG 3.5Å; C135-C138 PolarHBondContact O-N 2.92Å; C138-A141 PolarHBondContact O-N 3.09Å |
| 139 | I | 93.2 | Very high | 85 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 178.4 | -67.6 | 170.6 | 0 | 0 | 0 | 111 | W11 G13 S14 A15 F77 C83 L87 A120 L125 C135 L136 A141 Q142 | W11-I139 HydrophobicContact CH2-CB 4.49Å; W11-I139 HydrophobicContact CH2-CG2 3.89Å; W11-I139 HydrophobicContact CZ2-CG2 4.49Å; G13-I139 VanDerWaalsContact CA-O 3.23Å; G13-I139 WeakPolarHBondContact CA-O 3.31Å; S14-I139 PolarHBondContact N-O 3.35Å; A15-I139 HydrophobicContact CB-CG1 4.3Å; F77-I139 HydrophobicContact CD2-CG2 3.8Å; F77-I139 HydrophobicContact CE2-CG2 4.3Å; C83-I139 VanDerWaalsContact SG-CD1 3.57Å; L87-I139 HydrophobicContact CD1-CD1 4.42Å; L87-I139 HydrophobicContact CD2-CD1 4.21Å; A120-I139 HydrophobicContact CB-CG1 4.17Å; L125-I139 HydrophobicContact CD1-CD1 3.73Å; L125-I139 HydrophobicContact CD1-CG1 3.64Å; C135-I139 WeakPolarHBondContact O-CG1 3.39Å; C135-I139 PolarHBondContact O-N 3.25Å; L136-I139 PolarHBondContact O-N 2.82Å; I139-A141 VanDerWaalsContact C-N 3.32Å; I139-A141 PolarHBondContact O-N 3.5Å; I139-Q142 PolarHBondContact O-N 3.04Å; I139-Q142 VanDerWaalsContact O-N 3.17Å |
| 140 | L | 91.3 | Very high | 84.5 | Confident | 72 Ų | 72 | 76 Ų | 76 | 38% | 0.377 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 177.8 | -179.4 | 61.3 | 0 | 0 | 0 | 112.3 | W11 L136 S137 Q142 | W11-L140 HydrophobicContact CD2-CD1 4.36Å; W11-L140 HydrophobicContact CG-CD1 4.14Å; W11-L140 HydrophobicContact CZ2-CB 4.14Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 3.1Å; S137-L140 PolarHBondContact O-N 3.48Å; L140-Q142 PolarHBondContact O-N 3.14Å |
| 141 | A | 90.2 | Very high | 84.1 | Confident | 73 Ų | 73 | 74.2 Ų | 74.2 | 60% | 0.603 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.4 | -22.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S137 C138 I139 Q143 | S137-A141 WeakPolarHBondContact O-CB 3.28Å; S137-A141 PolarHBondContact O-N 2.95Å; C138-A141 PolarHBondContact O-N 3.09Å; I139-A141 VanDerWaalsContact C-N 3.32Å; I139-A141 PolarHBondContact O-N 3.5Å; A141-Q143 PolarHBondContact O-N 3.3Å |
| 142 | Q | 88.5 | Confident | 83.6 | Confident | 66 Ų | 66 | 70.7 Ų | 70.7 | 31% | 0.308 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -91.6 | 91.2 | 174.6 | -58.2 | -59.5 | -54.3 | 0 | 0 | 109.9 | G13 S14 A120 I139 L140 | G13-Q142 CarbonylContact C-O 3.6Å; S14-Q142 PolarHBondContact N-O 2.92Å; S14-Q142 WeakPolarHBondContact O-CB 3.36Å; S14-Q142 WeakPolarHBondContact OG-CB 3.37Å; S14-Q142 PolarHBondContact OG-O 2.67Å; A120-Q142 HydrophobicContact CB-CG 4.04Å; I139-Q142 PolarHBondContact O-N 3.04Å; I139-Q142 VanDerWaalsContact O-N 3.17Å; L140-Q142 PolarHBondContact O-N 3.14Å |
| 143 | Q | 76.5 | Confident | 83.2 | Confident | 162 Ų | 162 | 70.1 Ų | 70.1 | 76% | 0.757 | 36% | 0.355 | S | S | * | . | trans | -66.7 | 130.5 | 172.9 | -66.9 | -163.5 | -28.2 | 0 | 0 | 110.1 | A141 D145 | A141-Q143 PolarHBondContact O-N 3.3Å; Q143-D145 PolarHBondContact O-N 2.9Å | ||
| 144 | P | 72.8 | Confident | 82.9 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | trans | -66 | 108.3 | 172.9 | 25.1 | -30 | 0 | 0 | 0 | 109 | V12 L62 R76 R146 | V12-P144 HydrophobicContact CG1-CG 3.49Å; V12-P144 VanDerWaalsContact CG1-CG 3.49Å; L62-P144 HydrophobicContact CD1-CB 3.87Å; R76-P144 HydrophobicContact CG-CG 4.3Å; P144-R146 VanDerWaalsContact C-N 3.28Å | ||
| 145 | D | 62.6 | Low | 82.4 | Confident | 114 Ų | 114 | 65.3 Ų | 65.3 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | trans | -79.1 | -12.7 | -178.3 | 65.2 | -33.6 | 0 | 0 | 0 | 112.7 | Q143 | Q143-D145 PolarHBondContact O-N 2.9Š| ||
| 146 | R | 63.8 | Low | 81.9 | Confident | 134 Ų | 134 | 67.1 Ų | 67.1 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -126 | 137.1 | -168.5 | -69.9 | 164.5 | -168.5 | -120.2 | 0.3 | 112.8 | P144 | P144-R146 VanDerWaalsContact C-N 3.28Š|
| 147 | L | 69.3 | Low | 81.4 | Confident | 156 Ų | 156 | 70.9 Ų | 70.9 | 82% | 0.817 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 157.5 | 160.7 | -66.5 | 176.8 | 0 | 0 | 0 | 109.6 | D149 | L147-D149 PolarHBondContact O-N 2.68Š|
| 148 | R | 75.4 | Confident | 80.9 | Confident | 89 Ų | 89 | 69.8 Ų | 69.8 | 34% | 0.336 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 132.6 | 176.5 | -173 | -179.4 | -163.1 | -177.5 | 4.5 | 110.8 | Y42 M61 L152 E156 | Y42-R148 PolarHBondContact OH-NH2 2.74Å; M61-R148 PolarHBondContact O-NE 2.77Å; R148-L152 HydrophobicContact CG-CB 4.32Å; R148-L152 HydrophobicContact CG-CD1 4.47Å; R148-E156 VanDerWaalsContact CZ-CD 3.42Å; R148-E156 IonicContact CZ-OE1 3.6Å; R148-E156 IonicContact CZ-OE2 3.3Å; R148-E156 IonicContact NH1-OE1 3.47Å; R148-E156 PolarHBondContact NH1-OE1 2.68Å; R148-E156 IonicContact NH1-OE2 2.74Å; R148-E156 PolarHBondContact NH1-OE2 3.23Å; R148-E156 IonicContact NH2-OE1 2.76Å; R148-E156 PolarHBondContact NH2-OE1 2.99Å; R148-E156 IonicContact NH2-OE2 3.6Å; R148-E156 PolarHBondContact NH2-OE2 3.26Å |
| 149 | D | 83.5 | Confident | 80.3 | Confident | 29 Ų | 29 | 69.5 Ų | 69.5 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 139.6 | -179.9 | -91.6 | 17.1 | 0 | 0 | 0 | 112 | L62 K63 L147 E151 L152 A153 | L62-D149 WeakPolarHBondContact O-CB 3.37Å; L62-D149 PolarHBondContact O-N 3.01Å; K63-D149 WeakPolarHBondContact CD-OD2 3.26Å; K63-D149 WeakPolarHBondContact CE-OD2 3.49Å; K63-D149 WeakPolarHBondContact CG-OD2 3.36Å; K63-D149 IonicContact NZ-OD1 3.73Å; K63-D149 IonicContact NZ-OD2 2.67Å; K63-D149 PolarHBondContact NZ-OD2 3.47Å; L147-D149 PolarHBondContact O-N 2.68Å; D149-E151 PolarHBondContact O-N 2.92Å; D149-L152 HydrophobicContact CB-CG 4.35Å; D149-L152 WeakPolarHBondContact O-CB 3.31Å; D149-L152 PolarHBondContact O-N 3.45Å; D149-A153 PolarHBondContact O-N 3.36Å |
| 150 | E | 78.1 | Confident | 79.8 | Confident | 100 Ų | 100 | 76.5 Ų | 76.5 | 47% | 0.467 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.6 | -35 | 178.7 | -59.2 | -174.1 | 170.3 | 0 | 0 | 112 | L152 A153 E154 R266 | E150-L152 VanDerWaalsContact C-N 3.27Å; E150-L152 PolarHBondContact O-N 3.18Å; E150-A153 WeakPolarHBondContact O-CB 3.41Å; E150-A153 PolarHBondContact O-N 2.91Å; E150-E154 WeakPolarHBondContact O-CG 3.37Å; E150-E154 PolarHBondContact O-N 2.73Å; E150-R266 IonicContact OE1-CZ 3.72Å; E150-R266 IonicContact OE1-NH1 2.99Å; E150-R266 PolarHBondContact OE1-NH1 3.35Å; E150-R266 IonicContact OE1-NH2 3.34Å; E150-R266 PolarHBondContact OE1-NH2 3.11Å; E150-R266 IonicContact OE2-NH2 3.92Å |
| 151 | E | 81 | Confident | 79.2 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 29% | 0.29 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 173.7 | 179.8 | 178.6 | -156.8 | 0 | 0 | 112 | K38 D149 L155 | K38-E151 WeakPolarHBondContact CE-OE1 3.39Å; K38-E151 IonicContact NZ-OE1 2.58Å; K38-E151 PolarHBondContact NZ-OE1 3.41Å; D149-E151 PolarHBondContact O-N 2.92Å; E151-L155 HydrophobicContact CG-CD1 4.39Å; E151-L155 WeakPolarHBondContact O-CG 3.23Å; E151-L155 PolarHBondContact O-N 2.66Å |
| 152 | L | 83.1 | Confident | 78.4 | Confident | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -71.9 | -34.8 | 177.5 | -60.9 | -169.9 | 0 | 0 | 0 | 111.5 | Y42 M61 L62 I64 R148 D149 E150 L155 E156 | Y42-L152 HydrophobicContact CD2-CD2 3.93Å; Y42-L152 HydrophobicContact CE2-CB 4.43Å; Y42-L152 HydrophobicContact CE2-CD2 3.69Å; Y42-L152 HydrophobicContact CE2-CG 4.45Å; M61-L152 HydrophobicContact CB-CD1 4.01Å; M61-L152 VanDerWaalsContact O-CD1 3.29Å; M61-L152 WeakPolarHBondContact O-CD1 3.16Å; L62-L152 VanDerWaalsContact C-CD1 3.47Å; L62-L152 WeakPolarHBondContact O-CD1 3.47Å; I64-L152 HydrophobicContact CD1-CD2 3.93Å; I64-L152 HydrophobicContact CG1-CD2 4.06Å; R148-L152 HydrophobicContact CG-CB 4.32Å; R148-L152 HydrophobicContact CG-CD1 4.47Å; D149-L152 HydrophobicContact CB-CG 4.35Å; D149-L152 WeakPolarHBondContact O-CB 3.31Å; D149-L152 PolarHBondContact O-N 3.45Å; E150-L152 VanDerWaalsContact C-N 3.27Å; E150-L152 PolarHBondContact O-N 3.18Å; L152-L155 HydrophobicContact CD2-CD1 4.19Å; L152-L155 PolarHBondContact O-N 3.29Å; L152-E156 WeakPolarHBondContact O-CG 3.47Å; L152-E156 PolarHBondContact O-N 3.48Å |
| 153 | A | 83.3 | Confident | 77.6 | Confident | 41 Ų | 41 | 84 Ų | 84 | 34% | 0.339 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D149 E150 L155 E156 D157 | D149-A153 PolarHBondContact O-N 3.36Å; E150-A153 WeakPolarHBondContact O-CB 3.41Å; E150-A153 PolarHBondContact O-N 2.91Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 2.8Å; A153-E156 PolarHBondContact O-N 2.83Å; A153-D157 PolarHBondContact O-N 3.37Å |
| 154 | E | 84.6 | Confident | 76.2 | Confident | 133 Ų | 133 | 80.5 Ų | 80.5 | 62% | 0.621 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -60.5 | -42.4 | 175.1 | -71 | 178.4 | -179.1 | 0 | 0 | 112.2 | E150 E156 D157 A158 | E150-E154 WeakPolarHBondContact O-CG 3.37Å; E150-E154 PolarHBondContact O-N 2.73Å; E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 2.79Å; E154-D157 PolarHBondContact O-N 2.99Å; E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.47Å |
| 155 | L | 82.4 | Confident | 74.9 | Confident | 11 Ų | 11 | 81.9 Ų | 81.9 | 6% | 0.058 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 176.8 | -70.9 | 171 | 0 | 0 | 0 | 112.2 | Y32 K38 V39 Y42 E151 L152 A153 L159 | Y32-L155 WeakPolarHBondContact OH-CD1 3.46Å; K38-L155 HydrophobicContact CD-CD2 4.16Å; K38-L155 HydrophobicContact CG-CD1 4.34Å; K38-L155 HydrophobicContact CG-CD2 4Å; V39-L155 HydrophobicContact CG2-CD2 3.78Å; Y42-L155 HydrophobicContact CD1-CB 3.63Å; Y42-L155 HydrophobicContact CD1-CD1 4.3Å; Y42-L155 HydrophobicContact CD2-CD1 4.13Å; Y42-L155 HydrophobicContact CE1-CB 3.95Å; Y42-L155 HydrophobicContact CG-CB 4.06Å; Y42-L155 HydrophobicContact CG-CD1 3.86Å; E151-L155 HydrophobicContact CG-CD1 4.39Å; E151-L155 WeakPolarHBondContact O-CG 3.23Å; E151-L155 PolarHBondContact O-N 2.66Å; L152-L155 HydrophobicContact CD2-CD1 4.19Å; L152-L155 PolarHBondContact O-N 3.29Å; A153-L155 VanDerWaalsContact C-N 3.34Å; A153-L155 PolarHBondContact O-N 2.8Å; L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 3.24Å |
| 156 | E | 83.3 | Confident | 73.9 | Confident | 38 Ų | 38 | 83.1 Ų | 83.1 | 18% | 0.178 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.1 | -42 | 173.9 | -76.5 | -165 | 154.3 | 0 | 0 | 113.2 | Y42 Q46 R148 L152 A153 E154 A158 L159 R160 | Y42-E156 HydrophobicContact CE1-CG 3.65Å; Y42-E156 WeakPolarHBondContact OH-CG 3.49Å; Y42-E156 PolarHBondContact OH-OE1 3.01Å; Y42-E156 VanDerWaalsContact OH-OE1 3.1Å; Q46-E156 PolarHBondContact NE2-OE1 2.93Å; R148-E156 VanDerWaalsContact CZ-CD 3.42Å; R148-E156 IonicContact CZ-OE1 3.6Å; R148-E156 IonicContact CZ-OE2 3.3Å; R148-E156 IonicContact NH1-OE1 3.47Å; R148-E156 PolarHBondContact NH1-OE1 2.68Å; R148-E156 IonicContact NH1-OE2 2.74Å; R148-E156 PolarHBondContact NH1-OE2 3.23Å; R148-E156 IonicContact NH2-OE1 2.76Å; R148-E156 PolarHBondContact NH2-OE1 2.99Å; R148-E156 IonicContact NH2-OE2 3.6Å; R148-E156 PolarHBondContact NH2-OE2 3.26Å; L152-E156 WeakPolarHBondContact O-CG 3.47Å; L152-E156 PolarHBondContact O-N 3.48Å; A153-E156 PolarHBondContact O-N 2.83Å; E154-E156 VanDerWaalsContact C-N 3.33Å; E154-E156 PolarHBondContact O-N 2.79Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-L159 PolarHBondContact O-N 3.41Å; E156-R160 WeakPolarHBondContact O-CB 3.49Å; E156-R160 PolarHBondContact O-N 3.48Å |
| 157 | D | 82.3 | Confident | 72.5 | Confident | 84 Ų | 84 | 80 Ų | 80 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.6 | -75.8 | -22.9 | 0 | 0 | 0 | 110.6 | A153 E154 L159 R160 N161 | A153-D157 PolarHBondContact O-N 3.37Å; E154-D157 PolarHBondContact O-N 2.99Å; D157-L159 VanDerWaalsContact C-N 3.35Å; D157-L159 PolarHBondContact O-N 3.31Å; D157-R160 PolarHBondContact O-N 2.87Å; D157-N161 WeakPolarHBondContact O-CB 3.27Å; D157-N161 PolarHBondContact O-N 3.07Å; D157-N161 PolarHBondContact O-ND2 3.01Å |
| 158 | A | 81.6 | Confident | 71 | Confident | 44 Ų | 44 | 78.6 Ų | 78.6 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E154 E156 N161 L162 | E154-A158 WeakPolarHBondContact O-CB 3.45Å; E154-A158 PolarHBondContact O-N 3.47Å; E156-A158 VanDerWaalsContact C-N 3.34Å; A158-N161 PolarHBondContact O-N 3.3Å; A158-L162 WeakPolarHBondContact O-CB 3.47Å; A158-L162 PolarHBondContact O-N 3.32Å |
| 159 | L | 80.2 | Confident | 69.6 | Low | 17 Ų | 17 | 83.7 Ų | 83.7 | 9% | 0.089 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.5 | -41 | 175.4 | -81 | 176 | 0 | 0 | 0 | 112.8 | V39 Y42 R43 L155 E156 D157 L162 K163 | V39-L159 HydrophobicContact CG1-CD2 3.53Å; V39-L159 HydrophobicContact CG1-CG 3.81Å; Y42-L159 HydrophobicContact CD1-CD1 3.63Å; Y42-L159 HydrophobicContact CE1-CD1 3.88Å; R43-L159 HydrophobicContact CB-CD1 3.82Å; R43-L159 HydrophobicContact CB-CD2 3.88Å; R43-L159 HydrophobicContact CG-CD1 4.09Å; R43-L159 HydrophobicContact CG-CD2 3.96Å; L155-L159 WeakPolarHBondContact O-CB 3.39Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 3.24Å; E156-L159 PolarHBondContact O-N 3.41Å; D157-L159 VanDerWaalsContact C-N 3.35Å; D157-L159 PolarHBondContact O-N 3.31Å; L159-L162 PolarHBondContact O-N 3Å; L159-K163 WeakPolarHBondContact O-CB 3.12Å; L159-K163 PolarHBondContact O-N 2.88Å |
| 160 | R | 82.4 | Confident | 67.1 | Low | 147 Ų | 147 | 86.4 Ų | 86.4 | 56% | 0.555 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 178.7 | -166.8 | -179.4 | -61.6 | -176.5 | 3.5 | 110.5 | E156 D157 L162 K163 C164 | E156-R160 WeakPolarHBondContact O-CB 3.49Å; E156-R160 PolarHBondContact O-N 3.48Å; D157-R160 PolarHBondContact O-N 2.87Å; R160-L162 VanDerWaalsContact C-N 3.34Å; R160-L162 PolarHBondContact O-N 3.42Å; R160-K163 PolarHBondContact O-N 3.27Å; R160-C164 PolarHBondContact O-N 3.42Å; R160-C164 PolarHBondContact O-SG 3.14Å; R160-C164 VanDerWaalsContact O-SG 3.35Å |
| 161 | N | 78.4 | Confident | 64.9 | Low | 115 Ų | 115 | 85.4 Ų | 85.4 | 62% | 0.615 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.7 | -41.5 | 175.5 | -68.8 | -30.7 | 0 | 0 | 0 | 111.8 | D157 A158 C164 G165 | D157-N161 WeakPolarHBondContact O-CB 3.27Å; D157-N161 PolarHBondContact O-N 3.07Å; D157-N161 PolarHBondContact O-ND2 3.01Å; A158-N161 PolarHBondContact O-N 3.3Å; N161-C164 PolarHBondContact O-N 3.22Å; N161-G165 PolarHBondContact O-N 2.83Å; N161-G165 VanDerWaalsContact O-N 3.13Å |
| 162 | L | 74 | Confident | 62.6 | Low | 96 Ų | 96 | 90.9 Ų | 90.9 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 176.2 | -162.9 | 73.9 | 0 | 0 | 0 | 112 | A158 L159 R160 C164 G165 L166 | A158-L162 WeakPolarHBondContact O-CB 3.47Å; A158-L162 PolarHBondContact O-N 3.32Å; L159-L162 PolarHBondContact O-N 3Å; R160-L162 VanDerWaalsContact C-N 3.34Å; R160-L162 PolarHBondContact O-N 3.42Å; L162-C164 VanDerWaalsContact C-N 3.32Å; L162-C164 PolarHBondContact O-N 3.41Å; L162-G165 PolarHBondContact O-N 2.93Å; L162-L166 WeakPolarHBondContact O-CD1 3.25Å |
| 163 | K | 70 | Confident | 60.1 | Low | 157 Ų | 157 | 94.4 Ų | 94.4 | 68% | 0.683 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.8 | -34.3 | 177.8 | -161.7 | 175.6 | 75.5 | -179.8 | 0 | 112.2 | L159 R160 | L159-K163 WeakPolarHBondContact O-CB 3.12Å; L159-K163 PolarHBondContact O-N 2.88Å; R160-K163 PolarHBondContact O-N 3.27Å |
| 164 | C | 47.5 | Very low | 57.9 | Low | 89 Ų | 89 | 101.3 Ų | 101.3 | 60% | 0.601 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.2 | -25.8 | 176.4 | -70 | 0 | 0 | 0 | 0 | 113.3 | R160 N161 L162 L166 | R160-C164 PolarHBondContact O-N 3.42Å; R160-C164 PolarHBondContact O-SG 3.14Å; R160-C164 VanDerWaalsContact O-SG 3.35Å; N161-C164 PolarHBondContact O-N 3.22Å; L162-C164 VanDerWaalsContact C-N 3.32Å; L162-C164 PolarHBondContact O-N 3.41Å; C164-L166 VanDerWaalsContact C-N 3.35Å |
| 165 | G | 46.2 | Very low | 55.4 | Low | 63 Ų | 63 | 100.7 Ų | 100.7 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.9 | -21.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N161 L162 | N161-G165 PolarHBondContact O-N 2.83Å; N161-G165 VanDerWaalsContact O-N 3.13Å; L162-G165 PolarHBondContact O-N 2.93Å |
| 166 | L | 40.7 | Very low | 52.9 | Low | 140 Ų | 140 | 105.9 Ų | 105.9 | 73% | 0.733 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -1.9 | 178.3 | -90.3 | 111.9 | 0 | 0 | 0 | 114.2 | L162 C164 T168 | L162-L166 WeakPolarHBondContact O-CD1 3.25Å; C164-L166 VanDerWaalsContact C-N 3.35Å; L166-T168 PolarHBondContact O-N 3.2Å |
| 167 | G | 35.9 | Very low | 50.3 | Low | 68 Ų | 68 | 109.8 Ų | 109.8 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -85.3 | 4.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 168 | T | 36.4 | Very low | 47.8 | Very low | 127 Ų | 127 | 110.4 Ų | 110.4 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -124.9 | 36.6 | -174 | -30.2 | 0 | 0 | 0 | 0 | 112.7 | L166 | L166-T168 PolarHBondContact O-N 3.2Š|
| 169 | Q | 46.2 | Very low | 46.2 | Very low | 195 Ų | 195 | 114 Ų | 114 | 91% | 0.911 | 71% | 0.714 | S | S | * | * | trans | -150.5 | 97.3 | 171.7 | -145.1 | 168.3 | 86.1 | 0 | 0 | 110.1 | ||||
| 170 | G | 32.4 | Very low | 43.6 | Very low | 86 Ų | 86 | 119.3 Ų | 119.3 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | 171.2 | 90.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 171 | G | 30 | Very low | 41.2 | Very low | 79 Ų | 79 | 121.1 Ų | 121.1 | 81% | 0.814 | 77% | 0.767 | S | S | * | * | trans | 172 | 83.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 172 | D | 34.4 | Very low | 39.5 | Very low | 178 Ų | 178 | 121.1 Ų | 121.1 | 95% | 0.952 | 77% | 0.774 | S | S | * | * | trans | -49.7 | 144.1 | 176.2 | -85 | -45.5 | 0 | 0 | 0 | 114.3 | ||||
| 173 | G | 30.3 | Very low | 37.4 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -179.5 | 67.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 174 | E | 36.9 | Very low | 35.4 | Very low | 186 Ų | 186 | 121 Ų | 121 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -39.5 | 136.9 | 166.4 | -172.8 | 176.6 | 132.5 | 0 | 0 | 112.9 | ||||
| 175 | V | 31.8 | Very low | 34.8 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | 171.8 | 109.6 | 134.1 | 161.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 176 | T | 29 | Very low | 33.9 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | trans | 44.4 | 115.7 | 146.2 | 62.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 177 | S | 30.2 | Very low | 34.1 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | 30.2 | 119.8 | 124.2 | -45.8 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 178 | A | 29.1 | Very low | 34.1 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | 167.9 | 154.3 | 114.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 179 | P | 47.3 | Very low | 34 | Very low | 119 Ų | 119 | 130.3 Ų | 130.3 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -96.8 | 143.1 | -160.2 | 36.4 | -29.7 | 0 | 0 | 0 | 112.8 | ||||
| 180 | S | 26.9 | Very low | 33.3 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | -156.6 | 137.4 | 163.2 | -74.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 181 | Q | 30.8 | Very low | 33.6 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -64.4 | 171.4 | -175.4 | -93.1 | 179.2 | -28 | 0 | 0 | 115.2 | ||||
| 182 | P | 43.3 | Very low | 33.8 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | trans | -90 | 158.7 | -156.9 | 36.4 | -33.1 | 0 | 0 | 0 | 113.4 | ||||
| 183 | P | 29.5 | Very low | 34.5 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -119.8 | 118.5 | 151.9 | 19.1 | 0.8 | 0 | 0 | 0 | 112.1 | ||||
| 184 | V | 28.6 | Very low | 35.5 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 20.6 | 127.1 | 143.1 | -163.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 185 | P | 34.5 | Very low | 36.5 | Very low | 119 Ų | 119 | 123.6 Ų | 123.6 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -79 | 127.5 | 178.4 | 32.7 | -31.9 | 0 | 0 | 0 | 111.4 | ||
| 186 | S | 28.5 | Very low | 38.2 | Very low | 126 Ų | 126 | 125 Ų | 125 | 88% | 0.881 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 125.6 | 164.8 | -65.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 187 | L | 43.3 | Very low | 40.4 | Very low | 162 Ų | 162 | 123.1 Ų | 123.1 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 158.3 | 176.5 | -87.3 | 127.1 | 0 | 0 | 0 | 113.2 | ||
| 188 | S | 36.5 | Very low | 43 | Very low | 111 Ų | 111 | 118.3 Ų | 118.3 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | 89.8 | 106.4 | 170.5 | -30.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 189 | D | 34.1 | Very low | 45.6 | Very low | 166 Ų | 166 | 119.9 Ų | 119.9 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | -144.3 | 110.2 | 52.2 | -108.9 | -60.8 | 0 | 0 | 0 | 111.1 | |||||
| 190 | V | 32.7 | Very low | 47.1 | Very low | 123 Ų | 123 | 114.3 Ų | 114.3 | 75% | 0.745 | 67% | 0.672 | S | S | * | * | trans | -106.5 | 104.9 | 171.2 | 177.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 191 | K | 37.2 | Very low | 49.5 | Very low | 192 Ų | 192 | 113.6 Ų | 113.6 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 127.4 | 157.2 | -170.5 | 173.1 | -174.4 | 168.6 | 0 | 107.6 | ||
| 192 | P | 35.5 | Very low | 51.5 | Low | 112 Ų | 112 | 107.7 Ų | 107.7 | 73% | 0.727 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 127.9 | -165.6 | 22.8 | -32.4 | 0 | 0 | 0 | 110.8 | ||
| 193 | P | 48.8 | Very low | 53 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 49% | 0.487 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -61 | 153.9 | 163.3 | 26.7 | -31.2 | 0 | 0 | 0 | 109 | A195 | P193-A195 PolarHBondContact O-N 2.98Š|
| 194 | P | 52.3 | Low | 55.4 | Low | 96 Ų | 96 | 106.4 Ų | 106.4 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -50.8 | 131.5 | 173.7 | 22.1 | -31.4 | 0 | 0 | 0 | 108.6 | Q196 | P194-Q196 PolarHBondContact O-N 3.37Š|
| 195 | A | 57.8 | Low | 57.9 | Low | 58 Ų | 58 | 101.2 Ų | 101.2 | 48% | 0.479 | 59% | 0.593 | S | S | . | * | trans | -46 | 116.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | P193 T197 N207 | P193-A195 PolarHBondContact O-N 2.98Å; A195-T197 PolarHBondContact O-N 3.41Å; A195-N207 WeakPolarHBondContact O-CB 3.49Å; A195-N207 PolarHBondContact O-ND2 2.93Å; A195-N207 VanDerWaalsContact O-ND2 3.08Å | ||
| 196 | Q | 66.9 | Low | 60.2 | Low | 149 Ų | 149 | 100.2 Ų | 100.2 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -63.3 | -15.1 | -175.5 | -68.3 | 175.1 | 4.2 | 0 | 0 | 111.7 | P194 V206 N207 | P194-Q196 PolarHBondContact O-N 3.37Å; Q196-V206 WeakPolarHBondContact O-CA 3.41Å; Q196-N207 PolarHBondContact O-N 2.79Å |
| 197 | T | 75.6 | Confident | 62.9 | Low | 81 Ų | 81 | 95.3 Ų | 95.3 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 142.9 | 175.5 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | A195 V205 V206 | A195-T197 PolarHBondContact O-N 3.41Å; T197-V205 CarbonylContact C-O 3.45Å; T197-V205 WeakPolarHBondContact CA-O 3.38Å; T197-V206 HydrophobicContact CG2-CG2 4.45Å |
| 198 | F | 83.5 | Confident | 64.9 | Low | 19 Ų | 19 | 91.6 Ų | 91.6 | 8% | 0.083 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 162 | 170.7 | 69 | -80.3 | 0 | 0 | 0 | 109.9 | F200 V205 N207 Q279 V282 L298 | F198-F200 HydrophobicContact CE2-CB 4.12Å; F198-V205 HydrophobicContact CD1-CB 4.49Å; F198-V205 WeakPolarHBondContact CD1-O 3.41Å; F198-V205 HydrophobicContact CE1-CB 4.09Å; F198-V205 HydrophobicContact CE1-CG1 4.17Å; F198-V205 HydrophobicContact CZ-CB 4.14Å; F198-V205 HydrophobicContact CZ-CG1 4.25Å; F198-V205 PolarHBondContact N-O 3.1Å; F198-V205 PolarHBondContact O-N 2.83Å; F198-N207 HydrophobicContact CD1-CB 4.03Å; F198-Q279 HydrophobicContact CB-CB 4.48Å; F198-Q279 HydrophobicContact CB-CG 3.98Å; F198-Q279 HydrophobicContact CD1-CB 3.7Å; F198-Q279 HydrophobicContact CD1-CG 4.09Å; F198-Q279 HydrophobicContact CD2-CB 4.23Å; F198-Q279 HydrophobicContact CD2-CG 3.91Å; F198-Q279 HydrophobicContact CE1-CB 3.88Å; F198-Q279 HydrophobicContact CE2-CB 4.38Å; F198-Q279 HydrophobicContact CE2-CG 4.4Å; F198-Q279 HydrophobicContact CG-CB 3.89Å; F198-Q279 HydrophobicContact CG-CG 3.73Å; F198-Q279 HydrophobicContact CZ-CB 4.21Å; F198-V282 HydrophobicContact CE2-CB 4.12Å; F198-V282 HydrophobicContact CE2-CG1 3.95Å; F198-V282 HydrophobicContact CE2-CG2 4.45Å; F198-V282 HydrophobicContact CZ-CB 4.26Å; F198-V282 HydrophobicContact CZ-CG1 4.46Å; F198-V282 HydrophobicContact CZ-CG2 4.15Å; F198-L298 HydrophobicContact CZ-CD2 3.92Å |
| 199 | L | 83.6 | Confident | 67.4 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 69% | 0.686 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.1 | 179 | -69 | 171.5 | 0 | 0 | 0 | 109.8 | Q203 P204 | L199-Q203 WeakPolarHBondContact CA-O 3.39Å; L199-P204 HydrophobicContact CD2-CB 4.43Å |
| 200 | F | 80.3 | Confident | 70 | Confident | 2 Ų | 2 | 82.5 Ų | 82.5 | 1% | 0.009 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121 | 170 | 175.8 | -102.6 | 0 | 0 | 0 | 108.1 | F198 G202 Q203 V205 V282 E286 T291 A294 E295 L298 L300 | F198-F200 HydrophobicContact CE2-CB 4.12Å; F200-G202 PolarHBondContact O-N 3.02Å; F200-Q203 PolarHBondContact N-O 3.42Å; F200-Q203 WeakPolarHBondContact O-CB 3.49Å; F200-Q203 PolarHBondContact O-N 3.48Å; F200-V205 HydrophobicContact CB-CG2 3.99Å; F200-V282 HydrophobicContact CD2-CG1 3.31Å; F200-V282 HydrophobicContact CE2-CG1 3.63Å; F200-V282 HydrophobicContact CG-CG1 4.2Å; F200-E286 HydrophobicContact CD2-CG 4.25Å; F200-E286 WeakPolarHBondContact CD2-OE1 3.23Å; F200-E286 HydrophobicContact CE2-CG 3.71Å; F200-E286 WeakPolarHBondContact CE2-OE1 3.32Å; F200-T291 HydrophobicContact CE2-CG2 4.43Å; F200-T291 HydrophobicContact CZ-CG2 3.94Å; F200-A294 HydrophobicContact CE2-CB 3.76Å; F200-A294 HydrophobicContact CZ-CB 3.72Å; F200-E295 HydrophobicContact CE1-CG 3.75Å; F200-E295 HydrophobicContact CZ-CG 4.02Å; F200-L298 HydrophobicContact CB-CD1 3.93Å; F200-L298 HydrophobicContact CD1-CD1 3.29Å; F200-L298 HydrophobicContact CD2-CD1 3.99Å; F200-L298 HydrophobicContact CE1-CD1 3.66Å; F200-L298 HydrophobicContact CE2-CD1 4.3Å; F200-L298 HydrophobicContact CG-CD1 3.45Å; F200-L298 VanDerWaalsContact CG-CD1 3.45Å; F200-L298 HydrophobicContact CZ-CD1 4.14Å; F200-L300 HydrophobicContact CD1-CD1 3.9Å; F200-L300 HydrophobicContact CE1-CD1 4.24Å |
| 201 | Q | 77.3 | Confident | 72.6 | Confident | 115 Ų | 115 | 78.4 Ų | 78.4 | 54% | 0.537 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 33.3 | -174.2 | -56.4 | -175.9 | 23.5 | 0 | 0 | 114.8 | Q203 E295 | Q201-Q203 VanDerWaalsContact C-N 3.32Å; Q201-Q203 PolarHBondContact O-N 2.68Å; Q201-E295 PolarHBondContact NE2-OE1 3.39Å |
| 202 | G | 72.1 | Confident | 74.9 | Confident | 61 Ų | 61 | 74 Ų | 74 | 63% | 0.629 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 1.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | F200 | F200-G202 PolarHBondContact O-N 3.02Š|
| 203 | Q | 73.5 | Confident | 77.4 | Confident | 118 Ų | 118 | 75.2 Ų | 75.2 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 137.3 | 173.2 | -66.3 | -65.3 | -31.5 | 0 | 0 | 111.4 | L199 F200 Q201 V205 | L199-Q203 WeakPolarHBondContact CA-O 3.39Å; F200-Q203 PolarHBondContact N-O 3.42Å; F200-Q203 WeakPolarHBondContact O-CB 3.49Å; F200-Q203 PolarHBondContact O-N 3.48Å; Q201-Q203 VanDerWaalsContact C-N 3.32Å; Q201-Q203 PolarHBondContact O-N 2.68Å; Q203-V205 PolarHBondContact O-N 2.63Å |
| 204 | P | 79.9 | Confident | 79.3 | Confident | 90 Ų | 90 | 71.8 Ų | 71.8 | 58% | 0.584 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 116.4 | 174.4 | 30.8 | -32.1 | 0 | 0 | 0 | 110.5 | L199 | L199-P204 HydrophobicContact CD2-CB 4.43Å |
| 205 | V | 82.5 | Confident | 81.1 | Confident | 20 Ų | 20 | 68.1 Ų | 68.1 | 12% | 0.121 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 136.9 | 179.4 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | T197 F198 F200 Q203 N207 L298 L300 | T197-V205 CarbonylContact C-O 3.45Å; T197-V205 WeakPolarHBondContact CA-O 3.38Å; F198-V205 HydrophobicContact CD1-CB 4.49Å; F198-V205 WeakPolarHBondContact CD1-O 3.41Å; F198-V205 HydrophobicContact CE1-CB 4.09Å; F198-V205 HydrophobicContact CE1-CG1 4.17Å; F198-V205 HydrophobicContact CZ-CB 4.14Å; F198-V205 HydrophobicContact CZ-CG1 4.25Å; F198-V205 PolarHBondContact N-O 3.1Å; F198-V205 PolarHBondContact O-N 2.83Å; F200-V205 HydrophobicContact CB-CG2 3.99Å; Q203-V205 PolarHBondContact O-N 2.63Å; V205-N207 PolarHBondContact O-N 3.22Å; V205-L298 HydrophobicContact CB-CD2 4.34Å; V205-L298 HydrophobicContact CG1-CD2 3.41Å; V205-L298 VanDerWaalsContact CG1-CD2 3.41Å; V205-L298 HydrophobicContact CG1-CG 4.34Å; V205-L298 HydrophobicContact CG2-CD1 4.32Å; V205-L300 HydrophobicContact CG2-CD1 4.45Å |
| 206 | V | 82.9 | Confident | 82.6 | Confident | 97 Ų | 97 | 68.5 Ų | 68.5 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 124.8 | -179.8 | -179.6 | 0 | 0 | 0 | 0 | 110.2 | Q196 T197 | Q196-V206 WeakPolarHBondContact O-CA 3.41Å; T197-V206 HydrophobicContact CG2-CG2 4.45Å |
| 207 | N | 84.7 | Confident | 83.6 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | trans | -81 | 124.3 | 176.6 | -158 | 5.7 | 0 | 0 | 0 | 109.6 | A195 Q196 F198 V205 T277 Q279 | A195-N207 WeakPolarHBondContact O-CB 3.49Å; A195-N207 PolarHBondContact O-ND2 2.93Å; A195-N207 VanDerWaalsContact O-ND2 3.08Å; Q196-N207 PolarHBondContact O-N 2.79Å; F198-N207 HydrophobicContact CD1-CB 4.03Å; V205-N207 PolarHBondContact O-N 3.22Å; N207-T277 WeakPolarHBondContact OD1-CB 3.29Å; N207-Q279 PolarHBondContact ND2-OE1 3.49Å; N207-Q279 WeakPolarHBondContact OD1-CB 3.01Å; N207-Q279 PolarHBondContact OD1-N 2.93Å | ||
| 208 | R | 86.1 | Confident | 84.4 | Confident | 85 Ų | 85 | 59.3 Ų | 59.3 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | trans | -138.5 | 155 | 178.5 | 59.4 | -177.7 | -179.9 | 77.5 | 2.1 | 110.6 | S211 D214 T277 L278 | R208-S211 PolarHBondContact NH1-OG 3.01Å; R208-D214 IonicContact CZ-OD1 3.62Å; R208-D214 IonicContact CZ-OD2 3.43Å; R208-D214 IonicContact NH1-OD1 3.58Å; R208-D214 IonicContact NH1-OD2 2.68Å; R208-D214 PolarHBondContact NH1-OD2 3.43Å; R208-D214 IonicContact NH2-OD1 2.77Å; R208-D214 PolarHBondContact NH2-OD1 3.32Å; R208-D214 IonicContact NH2-OD2 3.37Å; R208-D214 PolarHBondContact NH2-OD2 3.1Å; R208-T277 WeakPolarHBondContact O-CA 3.37Å; R208-L278 HydrophobicContact CG-CB 4.34Å; R208-L278 HydrophobicContact CG-CD2 4.14Å; R208-L278 WeakPolarHBondContact O-CB 3.35Å; R208-L278 PolarHBondContact O-N 3.42Å | ||
| 209 | P | 87.6 | Confident | 84.7 | Confident | 72 Ų | 72 | 58.6 Ų | 58.6 | 47% | 0.468 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -56.2 | 149.2 | 167.1 | -22 | 33.4 | 0 | 0 | 0 | 110.9 | S211 A276 | P209-S211 PolarHBondContact O-N 3.46Å; P209-A276 WeakPolarHBondContact CA-O 3.4Å |
| 210 | L | 88.4 | Confident | 85 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 122.9 | 176 | -68 | 176.9 | 0 | 0 | 0 | 110.3 | D214 L265 F268 V269 A276 L278 L281 | L210-D214 HydrophobicContact CD2-CB 4.2Å; L210-L265 HydrophobicContact CD1-CD2 4.44Å; L210-F268 HydrophobicContact CD1-CD1 3.65Å; L210-F268 HydrophobicContact CD1-CE1 3.79Å; L210-V269 HydrophobicContact CB-CG2 3.92Å; L210-V269 HydrophobicContact CD1-CG2 4.04Å; L210-A276 HydrophobicContact CD1-CB 4.4Å; L210-A276 WeakPolarHBondContact CG-O 3.04Å; L210-A276 PolarHBondContact N-O 3.41Å; L210-L278 HydrophobicContact CD2-CB 4.47Å; L210-L278 HydrophobicContact CD2-CD1 4.14Å; L210-L281 HydrophobicContact CD1-CD2 4.28Å; L210-L281 HydrophobicContact CD2-CB 3.97Å; L210-L281 HydrophobicContact CD2-CD2 3.53Å; L210-L281 HydrophobicContact CD2-CG 4.41Å |
| 211 | S | 87.4 | Confident | 85.2 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 26% | 0.259 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 165.7 | 173 | 72.9 | 0 | 0 | 0 | 0 | 110.8 | R208 P209 Q213 D214 Q215 | R208-S211 PolarHBondContact NH1-OG 3.01Å; P209-S211 PolarHBondContact O-N 3.46Å; S211-Q213 PolarHBondContact O-N 3.37Å; S211-Q213 PolarHBondContact OG-N 2.94Å; S211-D214 WeakPolarHBondContact CB-OD2 3.46Å; S211-D214 PolarHBondContact N-OD2 3.31Å; S211-D214 PolarHBondContact O-N 3Å; S211-D214 PolarHBondContact OG-N 3.3Å; S211-D214 PolarHBondContact OG-OD1 3.23Å; S211-D214 PolarHBondContact OG-OD2 3.11Å; S211-Q215 WeakPolarHBondContact O-CG 3.47Å; S211-Q215 PolarHBondContact O-N 2.92Å |
| 212 | L | 87 | Confident | 85.7 | Confident | 100 Ų | 100 | 58.5 Ų | 58.5 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.5 | -35.5 | 172.9 | -176.7 | 65.4 | 0 | 0 | 0 | 111.9 | D214 Q215 Q216 F262 | L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 2.74Å; L212-Q215 WeakPolarHBondContact O-CB 3.47Å; L212-Q215 PolarHBondContact O-N 3.19Å; L212-Q216 WeakPolarHBondContact O-CG 3.31Å; L212-Q216 PolarHBondContact O-N 3.47Å; L212-F262 HydrophobicContact CD1-CE2 4.2Å; L212-F262 HydrophobicContact CD1-CZ 3.82Å |
| 213 | Q | 87.3 | Confident | 86.4 | Confident | 136 Ų | 136 | 56.9 Ų | 56.9 | 64% | 0.636 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.9 | -39.2 | 178.4 | -176 | 176 | -1.8 | 0 | 0 | 111.7 | S211 Q215 Q216 T217 | S211-Q213 PolarHBondContact O-N 3.37Å; S211-Q213 PolarHBondContact OG-N 2.94Å; Q213-Q215 VanDerWaalsContact C-N 3.31Å; Q213-Q215 PolarHBondContact O-N 3.27Å; Q213-Q216 PolarHBondContact O-N 2.92Å; Q213-T217 WeakPolarHBondContact O-CB 3.17Å; Q213-T217 PolarHBondContact O-N 3.48Å; Q213-T217 PolarHBondContact O-OG1 2.95Å |
| 214 | D | 88.6 | Confident | 87.1 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 176.9 | -52.3 | -43.4 | 0 | 0 | 0 | 110.8 | R208 L210 S211 L212 T217 F218 L297 | R208-D214 IonicContact CZ-OD1 3.62Å; R208-D214 IonicContact CZ-OD2 3.43Å; R208-D214 IonicContact NH1-OD1 3.58Å; R208-D214 IonicContact NH1-OD2 2.68Å; R208-D214 PolarHBondContact NH1-OD2 3.43Å; R208-D214 IonicContact NH2-OD1 2.77Å; R208-D214 PolarHBondContact NH2-OD1 3.32Å; R208-D214 IonicContact NH2-OD2 3.37Å; R208-D214 PolarHBondContact NH2-OD2 3.1Å; L210-D214 HydrophobicContact CD2-CB 4.2Å; S211-D214 WeakPolarHBondContact CB-OD2 3.46Å; S211-D214 PolarHBondContact N-OD2 3.31Å; S211-D214 PolarHBondContact O-N 3Å; S211-D214 PolarHBondContact OG-N 3.3Å; S211-D214 PolarHBondContact OG-OD1 3.23Å; S211-D214 PolarHBondContact OG-OD2 3.11Å; L212-D214 VanDerWaalsContact C-N 3.33Å; L212-D214 PolarHBondContact O-N 2.74Å; D214-T217 PolarHBondContact O-N 3.06Å; D214-F218 VanDerWaalsContact O-CB 3.25Å; D214-F218 WeakPolarHBondContact O-CB 3.33Å; D214-F218 PolarHBondContact O-N 3.05Å; D214-L297 HydrophobicContact CB-CD2 3.87Å; D214-L297 WeakPolarHBondContact O-CD2 3.45Å |
| 215 | Q | 90 | Very high | 87.5 | Confident | 18 Ų | 18 | 57.2 Ų | 57.2 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 178.3 | -63.2 | 171.8 | 37 | 0 | 0 | 111.7 | S211 L212 Q213 A219 F262 L265 | S211-Q215 WeakPolarHBondContact O-CG 3.47Å; S211-Q215 PolarHBondContact O-N 2.92Å; L212-Q215 WeakPolarHBondContact O-CB 3.47Å; L212-Q215 PolarHBondContact O-N 3.19Å; Q213-Q215 VanDerWaalsContact C-N 3.31Å; Q213-Q215 PolarHBondContact O-N 3.27Å; Q215-A219 VanDerWaalsContact O-CB 3.29Å; Q215-A219 WeakPolarHBondContact O-CB 3.44Å; Q215-A219 PolarHBondContact O-N 2.76Å; Q215-F262 HydrophobicContact CB-CD2 4.08Å; Q215-F262 HydrophobicContact CB-CE2 3.69Å; Q215-F262 HydrophobicContact CB-CZ 4.44Å; Q215-L265 HydrophobicContact CB-CB 4.49Å; Q215-L265 HydrophobicContact CB-CD1 4.41Å; Q215-L265 HydrophobicContact CG-CB 4Å; Q215-L265 HydrophobicContact CG-CD1 4.29Å |
| 216 | Q | 88.9 | Confident | 88 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 31% | 0.313 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.3 | -45.1 | 177 | -69.9 | 176.1 | -8.2 | 0 | 0 | 111.6 | L212 Q213 F218 A219 R220 F262 | L212-Q216 WeakPolarHBondContact O-CG 3.31Å; L212-Q216 PolarHBondContact O-N 3.47Å; Q213-Q216 PolarHBondContact O-N 2.92Å; Q216-F218 PolarHBondContact O-N 3.31Å; Q216-A219 PolarHBondContact O-N 3.14Å; Q216-R220 WeakPolarHBondContact O-CG 3.48Å; Q216-R220 PolarHBondContact O-N 3.28Å; Q216-F262 HydrophobicContact CG-CE2 3.93Å |
| 217 | T | 88.5 | Confident | 88.3 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 179.9 | -54.4 | 0 | 0 | 0 | 0 | 110.6 | Q213 D214 A219 R220 S221 L293 D296 L297 | Q213-T217 WeakPolarHBondContact O-CB 3.17Å; Q213-T217 PolarHBondContact O-N 3.48Å; Q213-T217 PolarHBondContact O-OG1 2.95Å; D214-T217 PolarHBondContact O-N 3.06Å; T217-A219 PolarHBondContact O-N 3.28Å; T217-R220 PolarHBondContact O-N 3.06Å; T217-S221 PolarHBondContact O-N 2.74Å; T217-S221 PolarHBondContact O-OG 3.11Å; T217-L293 HydrophobicContact CG2-CD1 4.25Å; T217-D296 HydrophobicContact CG2-CB 4.26Å; T217-L297 HydrophobicContact CG2-CD2 3.9Å; T217-L297 HydrophobicContact CG2-CG 4.5Å |
| 218 | F | 91.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.3 | -50 | 172.9 | 174.2 | -98 | 0 | 0 | 0 | 112.3 | D214 Q216 R220 S221 V222 V229 A261 L264 L265 L281 L285 L293 | D214-F218 VanDerWaalsContact O-CB 3.25Å; D214-F218 WeakPolarHBondContact O-CB 3.33Å; D214-F218 PolarHBondContact O-N 3.05Å; Q216-F218 PolarHBondContact O-N 3.31Å; F218-R220 VanDerWaalsContact C-N 3.27Å; F218-R220 PolarHBondContact O-N 2.84Å; F218-S221 PolarHBondContact O-N 2.96Å; F218-V222 HydrophobicContact CD1-CG1 4.06Å; F218-V222 HydrophobicContact CD2-CB 4.11Å; F218-V222 HydrophobicContact CD2-CG2 4.33Å; F218-V222 HydrophobicContact CE1-CB 4.28Å; F218-V222 HydrophobicContact CE1-CG1 3.75Å; F218-V222 HydrophobicContact CE1-CG2 4.42Å; F218-V222 HydrophobicContact CE2-CB 3.81Å; F218-V222 HydrophobicContact CE2-CG1 4.2Å; F218-V222 HydrophobicContact CE2-CG2 3.57Å; F218-V222 HydrophobicContact CG-CB 4.47Å; F218-V222 HydrophobicContact CG-CG1 4.45Å; F218-V222 HydrophobicContact CZ-CB 3.93Å; F218-V222 HydrophobicContact CZ-CG1 3.83Å; F218-V222 HydrophobicContact CZ-CG2 3.65Å; F218-V222 VanDerWaalsContact O-CB 3.31Å; F218-V222 WeakPolarHBondContact O-CB 3.12Å; F218-V222 VanDerWaalsContact O-CG1 3.23Å; F218-V222 WeakPolarHBondContact O-CG1 3.41Å; F218-V222 PolarHBondContact O-N 2.72Å; F218-V229 HydrophobicContact CE2-CB 4.28Å; F218-V229 HydrophobicContact CE2-CG1 3.84Å; F218-V229 HydrophobicContact CE2-CG2 4.25Å; F218-V229 HydrophobicContact CZ-CB 4.18Å; F218-V229 HydrophobicContact CZ-CG1 3.92Å; F218-V229 HydrophobicContact CZ-CG2 4.5Å; F218-A261 HydrophobicContact CD1-CB 4.26Å; F218-A261 HydrophobicContact CE1-CB 3.96Å; F218-A261 WeakPolarHBondContact CE1-O 3.28Å; F218-L264 HydrophobicContact CE1-CD2 4.16Å; F218-L264 HydrophobicContact CZ-CD2 4.07Å; F218-L265 HydrophobicContact CB-CD1 3.47Å; F218-L265 VanDerWaalsContact CB-CD1 3.47Å; F218-L265 HydrophobicContact CD1-CD1 3.24Å; F218-L265 HydrophobicContact CD1-CD2 4.36Å; F218-L265 HydrophobicContact CD1-CG 3.54Å; F218-L265 HydrophobicContact CD2-CD1 4.16Å; F218-L265 HydrophobicContact CE1-CD1 3.94Å; F218-L265 HydrophobicContact CE1-CD2 4.25Å; F218-L265 HydrophobicContact CE1-CG 3.74Å; F218-L265 HydrophobicContact CG-CD1 3.35Å; F218-L265 HydrophobicContact CG-CG 4.1Å; F218-L265 HydrophobicContact CZ-CG 4.45Å; F218-L281 HydrophobicContact CD2-CD1 4.13Å; F218-L281 HydrophobicContact CE2-CD1 4.13Å; F218-L285 HydrophobicContact CD2-CD2 4.12Å; F218-L285 HydrophobicContact CE2-CD2 3.9Å; F218-L293 HydrophobicContact CD2-CD2 4.06Å |
| 219 | A | 91.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -33.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q215 Q216 T217 Y258 A261 F262 | Q215-A219 VanDerWaalsContact O-CB 3.29Å; Q215-A219 WeakPolarHBondContact O-CB 3.44Å; Q215-A219 PolarHBondContact O-N 2.76Å; Q216-A219 PolarHBondContact O-N 3.14Å; T217-A219 PolarHBondContact O-N 3.28Å; A219-Y258 VanDerWaalsContact C-CD2 3.46Å; A219-Y258 HydrophobicContact CB-CD2 3.7Å; A219-Y258 HydrophobicContact CB-CE2 3.46Å; A219-Y258 VanDerWaalsContact CB-CE2 3.46Å; A219-Y258 HydrophobicContact CB-CG 4.32Å; A219-Y258 WeakPolarHBondContact O-CD2 3.44Å; A219-A261 HydrophobicContact CB-CB 4.2Å; A219-F262 HydrophobicContact CB-CB 3.82Å; A219-F262 HydrophobicContact CB-CD2 4.13Å; A219-F262 HydrophobicContact CB-CG 4.5Å |
| 220 | R | 88.7 | Confident | 88.8 | Confident | 181 Ų | 181 | 55 Ų | 55 | 68% | 0.683 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.9 | -36.5 | 176.8 | -69.1 | 179.8 | -172.1 | 177.4 | 2.1 | 112.9 | Q216 T217 F218 Y258 | Q216-R220 WeakPolarHBondContact O-CG 3.48Å; Q216-R220 PolarHBondContact O-N 3.28Å; T217-R220 PolarHBondContact O-N 3.06Å; F218-R220 VanDerWaalsContact C-N 3.27Å; F218-R220 PolarHBondContact O-N 2.84Å; R220-Y258 HydrophobicContact CG-CD2 4.12Å; R220-Y258 HydrophobicContact CG-CE2 3.62Å |
| 221 | S | 84.3 | Confident | 88.9 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -108.4 | -22.5 | -164.8 | -54.1 | 0 | 0 | 0 | 0 | 114.4 | T217 F218 G223 L293 | T217-S221 PolarHBondContact O-N 2.74Å; T217-S221 PolarHBondContact O-OG 3.11Å; F218-S221 PolarHBondContact O-N 2.96Å; S221-G223 PolarHBondContact O-N 3.48Å; S221-L293 VanDerWaalsContact CB-CD1 3.49Å |
| 222 | V | 88.3 | Confident | 89 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | trans | -73.5 | -29.6 | -173.8 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | F218 L224 K225 W226 V229 A261 L290 L293 | F218-V222 HydrophobicContact CD1-CG1 4.06Å; F218-V222 HydrophobicContact CD2-CB 4.11Å; F218-V222 HydrophobicContact CD2-CG2 4.33Å; F218-V222 HydrophobicContact CE1-CB 4.28Å; F218-V222 HydrophobicContact CE1-CG1 3.75Å; F218-V222 HydrophobicContact CE1-CG2 4.42Å; F218-V222 HydrophobicContact CE2-CB 3.81Å; F218-V222 HydrophobicContact CE2-CG1 4.2Å; F218-V222 HydrophobicContact CE2-CG2 3.57Å; F218-V222 HydrophobicContact CG-CB 4.47Å; F218-V222 HydrophobicContact CG-CG1 4.45Å; F218-V222 HydrophobicContact CZ-CB 3.93Å; F218-V222 HydrophobicContact CZ-CG1 3.83Å; F218-V222 HydrophobicContact CZ-CG2 3.65Å; F218-V222 VanDerWaalsContact O-CB 3.31Å; F218-V222 WeakPolarHBondContact O-CB 3.12Å; F218-V222 VanDerWaalsContact O-CG1 3.23Å; F218-V222 WeakPolarHBondContact O-CG1 3.41Å; F218-V222 PolarHBondContact O-N 2.72Å; V222-L224 PolarHBondContact O-N 3.11Å; V222-K225 HydrophobicContact CG2-CB 4.17Å; V222-K225 WeakPolarHBondContact O-CB 3.2Å; V222-K225 PolarHBondContact O-N 3.06Å; V222-K225 VanDerWaalsContact O-N 3.1Å; V222-W226 HydrophobicContact CG1-CB 3.8Å; V222-W226 HydrophobicContact CG2-CB 4.24Å; V222-V229 HydrophobicContact CG2-CG2 4.05Å; V222-A261 HydrophobicContact CG1-CB 3.32Å; V222-L290 HydrophobicContact CG2-CD1 3.85Å; V222-L293 HydrophobicContact CB-CD2 4.14Å | ||
| 223 | G | 87.8 | Confident | 89.1 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | 48.8 | -137.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | S221 K225 W226 | S221-G223 PolarHBondContact O-N 3.48Å; G223-K225 PolarHBondContact O-N 3.42Å; G223-W226 PolarHBondContact O-N 3.08Å |
| 224 | L | 86.9 | Confident | 89.2 | Confident | 133 Ų | 133 | 50.7 Ų | 50.7 | 70% | 0.696 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -60.4 | -17.8 | 179.9 | -70.4 | 167.1 | 0 | 0 | 0 | 114.5 | V222 W226 L257 | V222-L224 PolarHBondContact O-N 3.11Å; L224-W226 PolarHBondContact O-N 2.82Å; L224-L257 HydrophobicContact CD2-CD1 3.78Å; L224-L257 HydrophobicContact CD2-CD2 3.53Å; L224-L257 HydrophobicContact CD2-CG 4.31Å; L224-L257 HydrophobicContact CG-CD1 3.77Å; L224-L257 HydrophobicContact CG-CD2 4.3Å |
| 225 | K | 89.6 | Confident | 89 | Confident | 81 Ų | 81 | 58.2 Ų | 58.2 | 35% | 0.352 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -74.8 | -5.9 | -178.9 | -63.8 | 176.9 | 174.5 | -172.2 | 0 | 112.6 | V222 G223 R227 K228 V229 L290 | V222-K225 HydrophobicContact CG2-CB 4.17Å; V222-K225 WeakPolarHBondContact O-CB 3.2Å; V222-K225 PolarHBondContact O-N 3.06Å; V222-K225 VanDerWaalsContact O-N 3.1Å; G223-K225 PolarHBondContact O-N 3.42Å; K225-R227 PolarHBondContact O-N 3.08Å; K225-R227 VanDerWaalsContact O-N 3.14Å; K225-K228 PolarHBondContact O-N 3.48Å; K225-V229 PolarHBondContact O-N 3.43Å; K225-L290 HydrophobicContact CB-CD1 4.07Å; K225-L290 HydrophobicContact CD-CD1 4.08Å; K225-L290 HydrophobicContact CD-CD2 3.76Å; K225-L290 HydrophobicContact CD-CG 4.02Å |
| 226 | W | 91.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.4 | -36 | 177.3 | 76.8 | -104.8 | 0 | 0 | 0 | 112.1 | V222 G223 L224 K228 V229 G230 L245 L248 A249 Q260 A261 L264 | V222-W226 HydrophobicContact CG1-CB 3.8Å; V222-W226 HydrophobicContact CG2-CB 4.24Å; G223-W226 PolarHBondContact O-N 3.08Å; L224-W226 PolarHBondContact O-N 2.82Å; W226-K228 PolarHBondContact O-N 2.9Å; W226-V229 PolarHBondContact O-N 2.88Å; W226-G230 PolarHBondContact O-N 2.79Å; W226-L245 HydrophobicContact CZ3-CD2 4.38Å; W226-L248 HydrophobicContact CH2-CB 4.24Å; W226-L248 HydrophobicContact CZ3-CB 4.45Å; W226-A249 HydrophobicContact CH2-CB 4.02Å; W226-A249 HydrophobicContact CZ2-CB 4.05Å; W226-Q260 HydrophobicContact CD2-CB 4.24Å; W226-Q260 HydrophobicContact CH2-CB 4.4Å; W226-Q260 HydrophobicContact CZ2-CB 3.72Å; W226-Q260 HydrophobicContact CZ2-CG 4.09Å; W226-A261 HydrophobicContact CB-CB 3.83Å; W226-A261 HydrophobicContact CG-CB 4.33Å; W226-L264 HydrophobicContact CE3-CB 4.23Å; W226-L264 HydrophobicContact CE3-CD1 4.41Å; W226-L264 HydrophobicContact CE3-CD2 4.22Å; W226-L264 HydrophobicContact CZ3-CD1 4.47Å; W226-L264 WeakPolarHBondContact O-CD2 3.45Å |
| 227 | R | 89.4 | Confident | 88.3 | Confident | 121 Ų | 121 | 56.2 Ų | 56.2 | 46% | 0.457 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 176.8 | -65.8 | -171.9 | -179 | -162.7 | 4.5 | 112.4 | K225 G230 R231 | K225-R227 PolarHBondContact O-N 3.08Å; K225-R227 VanDerWaalsContact O-N 3.14Å; R227-G230 PolarHBondContact O-N 3.41Å; R227-R231 WeakPolarHBondContact O-CG 3.35Å; R227-R231 PolarHBondContact O-N 3.3Å |
| 228 | K | 89.9 | Confident | 88.2 | Confident | 130 Ų | 130 | 64.2 Ų | 64.2 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70.7 | -43.5 | 179.8 | -58.5 | -173.6 | 173.8 | -175.9 | 0 | 110.9 | K225 W226 G230 R231 S232 N288 | K225-K228 PolarHBondContact O-N 3.48Å; W226-K228 PolarHBondContact O-N 2.9Å; K228-G230 VanDerWaalsContact C-N 3.3Å; K228-G230 PolarHBondContact O-N 3.45Å; K228-R231 WeakPolarHBondContact O-CB 3.37Å; K228-R231 PolarHBondContact O-N 3.42Å; K228-R231 VanDerWaalsContact O-N 3.11Å; K228-S232 PolarHBondContact O-N 3.38Å; K228-S232 VanDerWaalsContact O-N 3.08Å; K228-N288 WeakPolarHBondContact CB-OD1 3.02Å |
| 229 | V | 90.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -42.8 | 172.4 | 179 | 0 | 0 | 0 | 0 | 110.7 | F218 V222 K225 W226 R231 S232 L233 L281 A284 L285 N288 L290 | F218-V229 HydrophobicContact CE2-CB 4.28Å; F218-V229 HydrophobicContact CE2-CG1 3.84Å; F218-V229 HydrophobicContact CE2-CG2 4.25Å; F218-V229 HydrophobicContact CZ-CB 4.18Å; F218-V229 HydrophobicContact CZ-CG1 3.92Å; F218-V229 HydrophobicContact CZ-CG2 4.5Å; V222-V229 HydrophobicContact CG2-CG2 4.05Å; K225-V229 PolarHBondContact O-N 3.43Å; W226-V229 PolarHBondContact O-N 2.88Å; V229-R231 VanDerWaalsContact C-N 3.31Å; V229-R231 PolarHBondContact O-N 2.8Å; V229-S232 WeakPolarHBondContact O-CB 3.48Å; V229-S232 PolarHBondContact O-N 2.83Å; V229-S232 VanDerWaalsContact O-N 3.11Å; V229-L233 HydrophobicContact CG1-CD1 4.01Å; V229-L233 HydrophobicContact CG1-CG 4.33Å; V229-L233 WeakPolarHBondContact O-CG 3.31Å; V229-L233 PolarHBondContact O-N 2.87Å; V229-L281 HydrophobicContact CG1-CD1 4.34Å; V229-A284 HydrophobicContact CG1-CB 4.11Å; V229-L285 HydrophobicContact CG2-CD2 4.06Å; V229-N288 HydrophobicContact CG2-CB 4.2Å; V229-L290 HydrophobicContact CG2-CD1 3.83Å |
| 230 | G | 89.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.2 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W226 R227 K228 S232 L233 Q234 | W226-G230 PolarHBondContact O-N 2.79Å; R227-G230 PolarHBondContact O-N 3.41Å; K228-G230 VanDerWaalsContact C-N 3.3Å; K228-G230 PolarHBondContact O-N 3.45Å; G230-S232 PolarHBondContact O-N 2.6Å; G230-L233 CarbonylContact O-C 3.6Å; G230-L233 PolarHBondContact O-N 3.41Å; G230-Q234 VanDerWaalsContact O-CG 3.29Å; G230-Q234 WeakPolarHBondContact O-CG 3.49Å; G230-Q234 PolarHBondContact O-N 3.11Å |
| 231 | R | 90.1 | Very high | 87.4 | Confident | 148 Ų | 148 | 64.1 Ų | 64.1 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.3 | -33.1 | 175.9 | -69.7 | -173.1 | -175.7 | -137.7 | -2.6 | 113.7 | R227 K228 V229 Q234 L245 | R227-R231 WeakPolarHBondContact O-CG 3.35Å; R227-R231 PolarHBondContact O-N 3.3Å; K228-R231 WeakPolarHBondContact O-CB 3.37Å; K228-R231 PolarHBondContact O-N 3.42Å; K228-R231 VanDerWaalsContact O-N 3.11Å; V229-R231 VanDerWaalsContact C-N 3.31Å; V229-R231 PolarHBondContact O-N 2.8Å; R231-Q234 WeakPolarHBondContact O-CB 3.44Å; R231-L245 HydrophobicContact CG-CD1 3.81Å |
| 232 | S | 90.1 | Very high | 87.2 | Confident | 14 Ų | 14 | 65.4 Ų | 65.4 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.8 | -44.5 | 170.6 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | K228 V229 G230 Q234 R235 E287 N288 | K228-S232 PolarHBondContact O-N 3.38Å; K228-S232 VanDerWaalsContact O-N 3.08Å; V229-S232 WeakPolarHBondContact O-CB 3.48Å; V229-S232 PolarHBondContact O-N 2.83Å; V229-S232 VanDerWaalsContact O-N 3.11Å; G230-S232 PolarHBondContact O-N 2.6Å; S232-Q234 VanDerWaalsContact C-N 3.3Å; S232-Q234 PolarHBondContact O-N 3.17Å; S232-R235 PolarHBondContact O-N 3.49Å; S232-E287 VanDerWaalsContact CB-OE2 3.25Å; S232-E287 WeakPolarHBondContact CB-OE2 3.33Å; S232-E287 PolarHBondContact OG-OE2 2.87Å; S232-N288 PolarHBondContact OG-ND2 3Å |
| 233 | L | 89.3 | Confident | 86.9 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -27.3 | 178.4 | -66.6 | 174.1 | 0 | 0 | 0 | 113.3 | V229 G230 R235 G236 C237 L240 L265 F268 R280 L281 A284 | V229-L233 HydrophobicContact CG1-CD1 4.01Å; V229-L233 HydrophobicContact CG1-CG 4.33Å; V229-L233 WeakPolarHBondContact O-CG 3.31Å; V229-L233 PolarHBondContact O-N 2.87Å; G230-L233 CarbonylContact O-C 3.6Å; G230-L233 PolarHBondContact O-N 3.41Å; L233-R235 PolarHBondContact O-N 2.81Å; L233-G236 PolarHBondContact O-N 3.39Å; L233-G236 VanDerWaalsContact O-N 3.14Å; L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.43Å; L233-L240 HydrophobicContact CB-CD1 3.67Å; L233-L240 HydrophobicContact CD1-CD1 4.4Å; L233-L265 HydrophobicContact CD1-CD2 4.12Å; L233-F268 HydrophobicContact CD2-CE1 4.4Å; L233-F268 HydrophobicContact CD2-CE2 4.22Å; L233-F268 HydrophobicContact CD2-CZ 4.04Å; L233-R280 WeakPolarHBondContact CD2-O 3.28Å; L233-L281 HydrophobicContact CD1-CD1 4.47Å; L233-A284 HydrophobicContact CD2-CB 3.71Å; L233-A284 HydrophobicContact CG-CB 3.91Å |
| 234 | Q | 87.8 | Confident | 86.8 | Confident | 27 Ų | 27 | 68.5 Ų | 68.5 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -28.6 | 173.7 | -81.8 | 178.4 | -18.3 | 0 | 0 | 113.6 | G230 R231 S232 G236 L240 D242 L245 | G230-Q234 VanDerWaalsContact O-CG 3.29Å; G230-Q234 WeakPolarHBondContact O-CG 3.49Å; G230-Q234 PolarHBondContact O-N 3.11Å; R231-Q234 WeakPolarHBondContact O-CB 3.44Å; S232-Q234 VanDerWaalsContact C-N 3.3Å; S232-Q234 PolarHBondContact O-N 3.17Å; Q234-G236 VanDerWaalsContact C-N 3.27Å; Q234-G236 PolarHBondContact O-N 3.34Å; Q234-L240 HydrophobicContact CG-CB 3.92Å; Q234-L240 WeakPolarHBondContact CG-O 3.43Å; Q234-L240 PolarHBondContact NE2-O 2.75Å; Q234-D242 PolarHBondContact NE2-OD1 3.3Å; Q234-L245 HydrophobicContact CG-CD1 4.31Å |
| 235 | R | 85.4 | Confident | 86.9 | Confident | 162 Ų | 162 | 62.5 Ų | 62.5 | 61% | 0.611 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -34.8 | 179.4 | -58 | -164.8 | -150.2 | 92.9 | -2.3 | 111.7 | S232 L233 E287 | S232-R235 PolarHBondContact O-N 3.49Å; L233-R235 PolarHBondContact O-N 2.81Å; R235-E287 IonicContact CZ-OE1 3.33Å; R235-E287 IonicContact CZ-OE2 2.68Å; R235-E287 VanDerWaalsContact CZ-OE2 3.27Å; R235-E287 VanDerWaalsContact NH1-CD 3.26Å; R235-E287 IonicContact NH1-OE1 3.22Å; R235-E287 PolarHBondContact NH1-OE1 3.44Å; R235-E287 IonicContact NH1-OE2 2.63Å; R235-E287 PolarHBondContact NH1-OE2 3.08Å; R235-E287 IonicContact NH2-OE2 3.42Å; R235-E287 PolarHBondContact NH2-OE2 3.3Å |
| 236 | G | 79.8 | Confident | 86.9 | Confident | 44 Ų | 44 | 62.8 Ų | 62.8 | 45% | 0.454 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -14.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | L233 Q234 R280 | L233-G236 PolarHBondContact O-N 3.39Å; L233-G236 VanDerWaalsContact O-N 3.14Å; Q234-G236 VanDerWaalsContact C-N 3.27Å; Q234-G236 PolarHBondContact O-N 3.34Å; G236-R280 PolarHBondContact O-NH2 3.18Å |
| 237 | C | 85.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | trans | -126.6 | 111.8 | -175.5 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | L233 A239 L240 F268 E272 | L233-C237 WeakPolarHBondContact O-CB 3.29Å; L233-C237 PolarHBondContact O-N 3.43Å; C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.19Å; C237-L240 HydrophobicContact CB-CD1 4.2Å; C237-L240 HydrophobicContact CB-CG 4.3Å; C237-L240 PolarHBondContact O-N 3.3Å; C237-F268 HydrophobicContact CB-CD2 3.76Å; C237-F268 HydrophobicContact CB-CE2 3.78Å; C237-E272 WeakPolarHBondContact CA-OE1 3.39Å; C237-E272 HydrophobicContact CB-CG 4.06Å | ||
| 238 | R | 84.6 | Confident | 86.7 | Confident | 204 Ų | 204 | 59 Ų | 59 | 77% | 0.77 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -64.4 | -31.7 | -179.4 | -69.9 | -173 | 178.2 | -151.1 | 0.7 | 112.9 | L240 R241 | R238-L240 PolarHBondContact O-N 3.32Å; R238-R241 WeakPolarHBondContact O-CB 3.35Å; R238-R241 PolarHBondContact O-N 3.34Å |
| 239 | A | 82.7 | Confident | 86.6 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 33% | 0.331 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -72.6 | -12.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C237 A244 R267 A271 | C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.19Å; A239-A244 VanDerWaalsContact O-CB 3.3Å; A239-A244 WeakPolarHBondContact O-CB 3.5Å; A239-R267 PolarHBondContact O-NE 3.47Å; A239-A271 HydrophobicContact CB-CB 3.25Å |
| 240 | L | 86.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -95.1 | -7.5 | 174.5 | -67.6 | -179.3 | 0 | 0 | 0 | 112.7 | L233 Q234 C237 R238 L264 R267 F268 | L233-L240 HydrophobicContact CB-CD1 3.67Å; L233-L240 HydrophobicContact CD1-CD1 4.4Å; Q234-L240 HydrophobicContact CG-CB 3.92Å; Q234-L240 WeakPolarHBondContact CG-O 3.43Å; Q234-L240 PolarHBondContact NE2-O 2.75Å; C237-L240 HydrophobicContact CB-CD1 4.2Å; C237-L240 HydrophobicContact CB-CG 4.3Å; C237-L240 PolarHBondContact O-N 3.3Å; R238-L240 PolarHBondContact O-N 3.32Å; L240-L264 HydrophobicContact CD1-CD1 4.25Å; L240-L264 HydrophobicContact CD2-CD1 3.83Å; L240-R267 HydrophobicContact CD2-CB 4.18Å; L240-R267 HydrophobicContact CD2-CG 4.16Å; L240-F268 HydrophobicContact CD1-CB 4.09Å; L240-F268 HydrophobicContact CD1-CD2 3.85Å; L240-F268 HydrophobicContact CD1-CG 4.33Å |
| 241 | R | 85.8 | Confident | 86.6 | Confident | 143 Ų | 143 | 67.3 Ų | 67.3 | 54% | 0.54 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -61.5 | 150.4 | 179.4 | -74.6 | -174.9 | 176.3 | -171.1 | -3.7 | 111.2 | R238 A244 | R238-R241 WeakPolarHBondContact O-CB 3.35Å; R238-R241 PolarHBondContact O-N 3.34Å; R241-A244 WeakPolarHBondContact O-CB 3.25Å; R241-A244 PolarHBondContact O-N 3.48Å |
| 242 | D | 80.1 | Confident | 86.5 | Confident | 88 Ų | 88 | 62.5 Ų | 62.5 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 134.7 | 176.2 | -58 | -22.3 | 0 | 0 | 0 | 110 | Q234 | Q234-D242 PolarHBondContact NE2-OD1 3.3Š|
| 243 | P | 83.4 | Confident | 86.3 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 59% | 0.591 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -90.1 | 10.9 | 14.8 | 36.2 | -36.8 | 0 | 0 | 0 | 115.5 | L245 D246 S247 | P243-L245 VanDerWaalsContact C-N 3.33Å; P243-L245 PolarHBondContact O-N 3.43Å; P243-D246 PolarHBondContact O-N 3.17Å; P243-S247 PolarHBondContact O-N 2.99Å; P243-S247 PolarHBondContact O-OG 3.4Å |
| 244 | A | 85.6 | Confident | 86 | Confident | 6 Ų | 6 | 80 Ų | 80 | 5% | 0.05 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.3 | -35.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A239 R241 L248 | A239-A244 VanDerWaalsContact O-CB 3.3Å; A239-A244 WeakPolarHBondContact O-CB 3.5Å; R241-A244 WeakPolarHBondContact O-CB 3.25Å; R241-A244 PolarHBondContact O-N 3.48Å; A244-L248 WeakPolarHBondContact O-CG 3.29Å; A244-L248 PolarHBondContact O-N 3.34Å |
| 245 | L | 88.1 | Confident | 85.9 | Confident | 7 Ų | 7 | 84.4 Ų | 84.4 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.4 | -36.6 | 176.3 | -62.3 | -175.6 | 0 | 0 | 0 | 112.1 | W226 R231 Q234 P243 A249 L264 | W226-L245 HydrophobicContact CZ3-CD2 4.38Å; R231-L245 HydrophobicContact CG-CD1 3.81Å; Q234-L245 HydrophobicContact CG-CD1 4.31Å; P243-L245 VanDerWaalsContact C-N 3.33Å; P243-L245 PolarHBondContact O-N 3.43Å; L245-A249 WeakPolarHBondContact O-CB 3.11Å; L245-A249 PolarHBondContact O-N 3.44Å; L245-L264 HydrophobicContact CD2-CD1 3.45Å; L245-L264 VanDerWaalsContact CD2-CD1 3.45Å |
| 246 | D | 88.9 | Confident | 86 | Confident | 87 Ų | 87 | 78 Ų | 78 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -72.8 | -36.7 | 177.5 | -62.3 | -43.4 | 0 | 0 | 0 | 111 | P243 A249 Y250 | P243-D246 PolarHBondContact O-N 3.17Å; D246-A249 PolarHBondContact O-N 3.23Å; D246-Y250 WeakPolarHBondContact O-CB 3.44Å; D246-Y250 PolarHBondContact O-N 3.38Å |
| 247 | S | 89.2 | Confident | 86.5 | Confident | 39 Ų | 39 | 79.1 Ų | 79.1 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -48.4 | 170.9 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | P243 A249 Y250 E251 | P243-S247 PolarHBondContact O-N 2.99Å; P243-S247 PolarHBondContact O-OG 3.4Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 3.02Å; S247-Y250 PolarHBondContact O-N 2.92Å; S247-E251 WeakPolarHBondContact O-CB 3.28Å; S247-E251 VanDerWaalsContact O-CG 3.26Å; S247-E251 WeakPolarHBondContact O-CG 3.38Å; S247-E251 PolarHBondContact O-N 2.79Å |
| 248 | L | 88.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 83.4 Ų | 83.4 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 175.8 | -75.9 | 175.2 | 0 | 0 | 0 | 112.1 | W226 A244 Y252 Q263 L264 | W226-L248 HydrophobicContact CH2-CB 4.24Å; W226-L248 HydrophobicContact CZ3-CB 4.45Å; A244-L248 WeakPolarHBondContact O-CG 3.29Å; A244-L248 PolarHBondContact O-N 3.34Å; L248-Y252 HydrophobicContact CD2-CD2 4Å; L248-Y252 HydrophobicContact CD2-CE2 3.8Å; L248-Y252 WeakPolarHBondContact O-CD2 3.32Å; L248-Y252 PolarHBondContact O-N 2.81Å; L248-Y252 VanDerWaalsContact O-N 3.17Å; L248-Q263 HydrophobicContact CD2-CB 3.94Å; L248-L264 HydrophobicContact CD1-CB 4.49Å; L248-L264 HydrophobicContact CD1-CD1 4.31Å |
| 249 | A | 88.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 75.6 Ų | 75.6 | 7% | 0.066 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W226 L245 D246 S247 E253 Q260 | W226-A249 HydrophobicContact CH2-CB 4.02Å; W226-A249 HydrophobicContact CZ2-CB 4.05Å; L245-A249 WeakPolarHBondContact O-CB 3.11Å; L245-A249 PolarHBondContact O-N 3.44Å; D246-A249 PolarHBondContact O-N 3.23Å; S247-A249 VanDerWaalsContact C-N 3.29Å; S247-A249 PolarHBondContact O-N 3.02Å; A249-E253 WeakPolarHBondContact O-CA 3.35Å; A249-E253 VanDerWaalsContact O-CB 3.28Å; A249-E253 WeakPolarHBondContact O-CB 3.41Å; A249-E253 PolarHBondContact O-N 3.17Å; A249-E253 VanDerWaalsContact O-N 3.13Å; A249-Q260 PolarHBondContact O-NE2 2.83Å |
| 250 | Y | 89.9 | Confident | 87.5 | Confident | 191 Ų | 191 | 74 Ų | 74 | 75% | 0.749 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72 | -44.9 | -179.1 | -179.2 | -99.7 | 0 | 0 | 0 | 112.8 | D246 S247 | D246-Y250 WeakPolarHBondContact O-CB 3.44Å; D246-Y250 PolarHBondContact O-N 3.38Å; S247-Y250 PolarHBondContact O-N 2.92Å |
| 251 | E | 88.8 | Confident | 87.7 | Confident | 104 Ų | 104 | 74 Ų | 74 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | -178.3 | -73.8 | 167.9 | -165.7 | 0 | 0 | 111.5 | S247 | S247-E251 WeakPolarHBondContact O-CB 3.28Å; S247-E251 VanDerWaalsContact O-CG 3.26Å; S247-E251 WeakPolarHBondContact O-CG 3.38Å; S247-E251 PolarHBondContact O-N 2.79Å |
| 252 | Y | 88.6 | Confident | 88.1 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 13.7 | -172.2 | -59.7 | -79.2 | 0 | 0 | 0 | 113.8 | L248 R254 E255 G256 E259 Q263 | L248-Y252 HydrophobicContact CD2-CD2 4Å; L248-Y252 HydrophobicContact CD2-CE2 3.8Å; L248-Y252 WeakPolarHBondContact O-CD2 3.32Å; L248-Y252 PolarHBondContact O-N 2.81Å; L248-Y252 VanDerWaalsContact O-N 3.17Å; Y252-R254 PolarHBondContact O-N 3.36Å; Y252-E255 WeakPolarHBondContact CD1-OE1 3.39Å; Y252-E255 PolarHBondContact O-N 3.16Å; Y252-G256 PolarHBondContact O-N 3.3Å; Y252-E259 HydrophobicContact CD1-CG 3.89Å; Y252-E259 HydrophobicContact CG-CG 4.49Å; Y252-Q263 HydrophobicContact CD1-CG 3.87Å; Y252-Q263 HydrophobicContact CD2-CB 4.06Å; Y252-Q263 HydrophobicContact CD2-CG 3.89Å; Y252-Q263 HydrophobicContact CE1-CG 3.72Å; Y252-Q263 HydrophobicContact CE2-CB 3.99Å; Y252-Q263 HydrophobicContact CE2-CG 3.75Å; Y252-Q263 HydrophobicContact CG-CG 3.95Å |
| 253 | E | 86.1 | Confident | 88.6 | Confident | 136 Ų | 136 | 65 Ų | 65 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -39.2 | 177.3 | -164.9 | 173.6 | -176.1 | 0 | 0 | 112.6 | A249 E255 | A249-E253 WeakPolarHBondContact O-CA 3.35Å; A249-E253 VanDerWaalsContact O-CB 3.28Å; A249-E253 WeakPolarHBondContact O-CB 3.41Å; A249-E253 PolarHBondContact O-N 3.17Å; A249-E253 VanDerWaalsContact O-N 3.13Å; E253-E255 VanDerWaalsContact C-N 3.3Å; E253-E255 PolarHBondContact O-N 2.91Å |
| 254 | R | 84.3 | Confident | 89 | Confident | 250 Ų | 250 | 60.7 Ų | 60.7 | 94% | 0.943 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -21.8 | -176.7 | -64.2 | -176.2 | 176.9 | -128.3 | -0.5 | 113.5 | Y252 | Y252-R254 PolarHBondContact O-N 3.36Š|
| 255 | E | 84.6 | Confident | 89.4 | Confident | 121 Ų | 121 | 60.4 Ų | 60.4 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -18.2 | -177 | -62 | -178.6 | -129.4 | 0 | 0 | 111.8 | Y252 E253 E259 | Y252-E255 WeakPolarHBondContact CD1-OE1 3.39Å; Y252-E255 PolarHBondContact O-N 3.16Å; E253-E255 VanDerWaalsContact C-N 3.3Å; E253-E255 PolarHBondContact O-N 2.91Å; E255-E259 HydrophobicContact CB-CB 3.69Å; E255-E259 HydrophobicContact CB-CG 3.78Å; E255-E259 WeakPolarHBondContact OE2-CG 3.49Å |
| 256 | G | 88.4 | Confident | 89.5 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | trans | 102 | 175.8 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y252 Y258 E259 Q260 | Y252-G256 PolarHBondContact O-N 3.3Å; G256-Y258 VanDerWaalsContact C-N 3.29Å; G256-Y258 PolarHBondContact O-N 3.39Å; G256-E259 PolarHBondContact O-N 2.95Å; G256-Q260 PolarHBondContact O-N 3.32Å; G256-Q260 VanDerWaalsContact O-N 3.11Å | ||
| 257 | L | 89.4 | Confident | 89.5 | Confident | 67 Ų | 67 | 64 Ų | 64 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.6 | -33.6 | -172.4 | -65 | 176 | 0 | 0 | 0 | 113.5 | L224 A261 | L224-L257 HydrophobicContact CD2-CD1 3.78Å; L224-L257 HydrophobicContact CD2-CD2 3.53Å; L224-L257 HydrophobicContact CD2-CG 4.31Å; L224-L257 HydrophobicContact CG-CD1 3.77Å; L224-L257 HydrophobicContact CG-CD2 4.3Å; L257-A261 WeakPolarHBondContact O-CB 3.41Å; L257-A261 PolarHBondContact O-N 2.76Å |
| 258 | Y | 91.4 | Very high | 89.5 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 35% | 0.353 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.6 | -50.9 | 175.3 | 174.3 | -90.9 | 0 | 0 | 0 | 110.5 | A219 R220 G256 A261 F262 | A219-Y258 VanDerWaalsContact C-CD2 3.46Å; A219-Y258 HydrophobicContact CB-CD2 3.7Å; A219-Y258 HydrophobicContact CB-CE2 3.46Å; A219-Y258 VanDerWaalsContact CB-CE2 3.46Å; A219-Y258 HydrophobicContact CB-CG 4.32Å; A219-Y258 WeakPolarHBondContact O-CD2 3.44Å; R220-Y258 HydrophobicContact CG-CD2 4.12Å; R220-Y258 HydrophobicContact CG-CE2 3.62Å; G256-Y258 VanDerWaalsContact C-N 3.29Å; G256-Y258 PolarHBondContact O-N 3.39Å; Y258-A261 PolarHBondContact O-N 3.21Å; Y258-F262 WeakPolarHBondContact O-CB 3.49Å; Y258-F262 PolarHBondContact O-N 2.88Å |
| 259 | E | 90.5 | Very high | 89.6 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | -176.9 | -166.4 | 60.3 | -145.7 | 0 | 0 | 111.2 | Y252 E255 G256 A261 F262 Q263 | Y252-E259 HydrophobicContact CD1-CG 3.89Å; Y252-E259 HydrophobicContact CG-CG 4.49Å; E255-E259 HydrophobicContact CB-CB 3.69Å; E255-E259 HydrophobicContact CB-CG 3.78Å; E255-E259 WeakPolarHBondContact OE2-CG 3.49Å; G256-E259 PolarHBondContact O-N 2.95Å; E259-A261 VanDerWaalsContact C-N 3.29Å; E259-A261 PolarHBondContact O-N 2.91Å; E259-F262 PolarHBondContact O-N 2.89Å; E259-F262 VanDerWaalsContact O-N 3.14Å; E259-Q263 HydrophobicContact CG-CG 4.18Å; E259-Q263 WeakPolarHBondContact O-CB 3.33Å; E259-Q263 WeakPolarHBondContact O-CG 3.42Å; E259-Q263 PolarHBondContact O-N 3Å; E259-Q263 PolarHBondContact OE1-NE2 3.08Å |
| 260 | Q | 90.6 | Very high | 89.6 | Confident | 8 Ų | 8 | 71.1 Ų | 71.1 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.4 | -43.5 | 174.6 | -70.9 | 179.4 | -18.5 | 0 | 0 | 112.6 | W226 A249 G256 L264 | W226-Q260 HydrophobicContact CD2-CB 4.24Å; W226-Q260 HydrophobicContact CH2-CB 4.4Å; W226-Q260 HydrophobicContact CZ2-CB 3.72Å; W226-Q260 HydrophobicContact CZ2-CG 4.09Å; A249-Q260 PolarHBondContact O-NE2 2.83Å; G256-Q260 PolarHBondContact O-N 3.32Å; G256-Q260 VanDerWaalsContact O-N 3.11Å; Q260-L264 PolarHBondContact O-N 3.11Å; Q260-L264 VanDerWaalsContact O-N 3.08Å |
| 261 | A | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F218 A219 V222 W226 L257 Y258 E259 L264 L265 | F218-A261 HydrophobicContact CD1-CB 4.26Å; F218-A261 HydrophobicContact CE1-CB 3.96Å; F218-A261 WeakPolarHBondContact CE1-O 3.28Å; A219-A261 HydrophobicContact CB-CB 4.2Å; V222-A261 HydrophobicContact CG1-CB 3.32Å; W226-A261 HydrophobicContact CB-CB 3.83Å; W226-A261 HydrophobicContact CG-CB 4.33Å; L257-A261 WeakPolarHBondContact O-CB 3.41Å; L257-A261 PolarHBondContact O-N 2.76Å; Y258-A261 PolarHBondContact O-N 3.21Å; E259-A261 VanDerWaalsContact C-N 3.29Å; E259-A261 PolarHBondContact O-N 2.91Å; A261-L264 WeakPolarHBondContact O-CB 3.27Å; A261-L264 PolarHBondContact O-N 3.3Å; A261-L265 PolarHBondContact O-N 3.44Å |
| 262 | F | 92.3 | Very high | 89.3 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.6 | -47.1 | 176.7 | -170 | -96.8 | 0 | 0 | 0 | 111.3 | L212 Q215 Q216 A219 Y258 E259 L264 L265 R266 | L212-F262 HydrophobicContact CD1-CE2 4.2Å; L212-F262 HydrophobicContact CD1-CZ 3.82Å; Q215-F262 HydrophobicContact CB-CD2 4.08Å; Q215-F262 HydrophobicContact CB-CE2 3.69Å; Q215-F262 HydrophobicContact CB-CZ 4.44Å; Q216-F262 HydrophobicContact CG-CE2 3.93Å; A219-F262 HydrophobicContact CB-CB 3.82Å; A219-F262 HydrophobicContact CB-CD2 4.13Å; A219-F262 HydrophobicContact CB-CG 4.5Å; Y258-F262 WeakPolarHBondContact O-CB 3.49Å; Y258-F262 PolarHBondContact O-N 2.88Å; E259-F262 PolarHBondContact O-N 2.89Å; E259-F262 VanDerWaalsContact O-N 3.14Å; F262-L264 VanDerWaalsContact C-N 3.3Å; F262-L264 PolarHBondContact O-N 3.36Å; F262-L265 PolarHBondContact O-N 3.34Å; F262-R266 WeakPolarHBondContact O-CB 3.33Å; F262-R266 PolarHBondContact O-N 2.95Å |
| 263 | Q | 91.6 | Very high | 89.1 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.3 | -31.4 | 179.6 | -64.8 | -68.4 | -7.8 | 0 | 0 | 112.6 | L248 Y252 E259 R266 R267 | L248-Q263 HydrophobicContact CD2-CB 3.94Å; Y252-Q263 HydrophobicContact CD1-CG 3.87Å; Y252-Q263 HydrophobicContact CD2-CB 4.06Å; Y252-Q263 HydrophobicContact CD2-CG 3.89Å; Y252-Q263 HydrophobicContact CE1-CG 3.72Å; Y252-Q263 HydrophobicContact CE2-CB 3.99Å; Y252-Q263 HydrophobicContact CE2-CG 3.75Å; Y252-Q263 HydrophobicContact CG-CG 3.95Å; E259-Q263 HydrophobicContact CG-CG 4.18Å; E259-Q263 WeakPolarHBondContact O-CB 3.33Å; E259-Q263 WeakPolarHBondContact O-CG 3.42Å; E259-Q263 PolarHBondContact O-N 3Å; E259-Q263 PolarHBondContact OE1-NE2 3.08Å; Q263-R266 PolarHBondContact O-N 3.5Å; Q263-R267 VanDerWaalsContact O-CB 3.29Å; Q263-R267 WeakPolarHBondContact O-CB 3.47Å; Q263-R267 PolarHBondContact O-N 2.93Å |
| 264 | L | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.1 | -53.5 | 170.5 | 176.5 | 75.2 | 0 | 0 | 0 | 111.4 | F218 W226 L240 L245 L248 Q260 A261 F262 R267 F268 | F218-L264 HydrophobicContact CE1-CD2 4.16Å; F218-L264 HydrophobicContact CZ-CD2 4.07Å; W226-L264 HydrophobicContact CE3-CB 4.23Å; W226-L264 HydrophobicContact CE3-CD1 4.41Å; W226-L264 HydrophobicContact CE3-CD2 4.22Å; W226-L264 HydrophobicContact CZ3-CD1 4.47Å; W226-L264 WeakPolarHBondContact O-CD2 3.45Å; L240-L264 HydrophobicContact CD1-CD1 4.25Å; L240-L264 HydrophobicContact CD2-CD1 3.83Å; L245-L264 HydrophobicContact CD2-CD1 3.45Å; L245-L264 VanDerWaalsContact CD2-CD1 3.45Å; L248-L264 HydrophobicContact CD1-CB 4.49Å; L248-L264 HydrophobicContact CD1-CD1 4.31Å; Q260-L264 PolarHBondContact O-N 3.11Å; Q260-L264 VanDerWaalsContact O-N 3.08Å; A261-L264 WeakPolarHBondContact O-CB 3.27Å; A261-L264 PolarHBondContact O-N 3.3Å; F262-L264 VanDerWaalsContact C-N 3.3Å; F262-L264 PolarHBondContact O-N 3.36Å; L264-R267 PolarHBondContact O-N 3.22Å; L264-F268 WeakPolarHBondContact O-CB 3.18Å; L264-F268 PolarHBondContact O-N 3.07Å |
| 265 | L | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -71.4 | -34.1 | -178.7 | -68.6 | -171.3 | 0 | 0 | 0 | 112.2 | L210 Q215 F218 L233 A261 F262 R267 F268 V269 L281 | L210-L265 HydrophobicContact CD1-CD2 4.44Å; Q215-L265 HydrophobicContact CB-CB 4.49Å; Q215-L265 HydrophobicContact CB-CD1 4.41Å; Q215-L265 HydrophobicContact CG-CB 4Å; Q215-L265 HydrophobicContact CG-CD1 4.29Å; F218-L265 HydrophobicContact CB-CD1 3.47Å; F218-L265 VanDerWaalsContact CB-CD1 3.47Å; F218-L265 HydrophobicContact CD1-CD1 3.24Å; F218-L265 HydrophobicContact CD1-CD2 4.36Å; F218-L265 HydrophobicContact CD1-CG 3.54Å; F218-L265 HydrophobicContact CD2-CD1 4.16Å; F218-L265 HydrophobicContact CE1-CD1 3.94Å; F218-L265 HydrophobicContact CE1-CD2 4.25Å; F218-L265 HydrophobicContact CE1-CG 3.74Å; F218-L265 HydrophobicContact CG-CD1 3.35Å; F218-L265 HydrophobicContact CG-CG 4.1Å; F218-L265 HydrophobicContact CZ-CG 4.45Å; L233-L265 HydrophobicContact CD1-CD2 4.12Å; A261-L265 PolarHBondContact O-N 3.44Å; F262-L265 PolarHBondContact O-N 3.34Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 2.9Å; L265-F268 WeakPolarHBondContact O-CB 3.34Å; L265-F268 PolarHBondContact O-N 2.88Å; L265-V269 WeakPolarHBondContact O-CG2 3.3Å; L265-V269 PolarHBondContact O-N 3.22Å; L265-L281 HydrophobicContact CD1-CD1 4.49Å; L265-L281 HydrophobicContact CD1-CD2 3.97Å; L265-L281 HydrophobicContact CD2-CD1 3.76Å; L265-L281 HydrophobicContact CD2-CD2 4.38Å |
| 266 | R | 89.9 | Confident | 88.7 | Confident | 88 Ų | 88 | 56.1 Ų | 56.1 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59 | -47.1 | 172.9 | -170 | -176.6 | 179 | -177.1 | 7.5 | 111.4 | E150 F262 Q263 F268 V269 Q270 | E150-R266 IonicContact OE1-CZ 3.72Å; E150-R266 IonicContact OE1-NH1 2.99Å; E150-R266 PolarHBondContact OE1-NH1 3.35Å; E150-R266 IonicContact OE1-NH2 3.34Å; E150-R266 PolarHBondContact OE1-NH2 3.11Å; E150-R266 IonicContact OE2-NH2 3.92Å; F262-R266 WeakPolarHBondContact O-CB 3.33Å; F262-R266 PolarHBondContact O-N 2.95Å; Q263-R266 PolarHBondContact O-N 3.5Å; R266-F268 VanDerWaalsContact C-N 3.33Å; R266-F268 PolarHBondContact O-N 3.23Å; R266-V269 PolarHBondContact O-N 2.99Å; R266-Q270 WeakPolarHBondContact O-CB 3.36Å; R266-Q270 PolarHBondContact O-N 2.82Å |
| 267 | R | 89.8 | Confident | 88.7 | Confident | 82 Ų | 82 | 55.4 Ų | 55.4 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 176.7 | -166.8 | 174.8 | -175.2 | 118.6 | -1.6 | 112 | A239 L240 Q263 L264 L265 Q270 A271 | A239-R267 PolarHBondContact O-NE 3.47Å; L240-R267 HydrophobicContact CD2-CB 4.18Å; L240-R267 HydrophobicContact CD2-CG 4.16Å; Q263-R267 VanDerWaalsContact O-CB 3.29Å; Q263-R267 WeakPolarHBondContact O-CB 3.47Å; Q263-R267 PolarHBondContact O-N 2.93Å; L264-R267 PolarHBondContact O-N 3.22Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 2.9Å; R267-Q270 PolarHBondContact O-N 2.98Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.15Å; R267-A271 PolarHBondContact O-N 3.31Å |
| 268 | F | 90.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 173.6 | -178.7 | -120.2 | 0 | 0 | 0 | 112.1 | L210 L233 C237 L240 L264 L265 R266 A271 E272 A276 R280 | L210-F268 HydrophobicContact CD1-CD1 3.65Å; L210-F268 HydrophobicContact CD1-CE1 3.79Å; L233-F268 HydrophobicContact CD2-CE1 4.4Å; L233-F268 HydrophobicContact CD2-CE2 4.22Å; L233-F268 HydrophobicContact CD2-CZ 4.04Å; C237-F268 HydrophobicContact CB-CD2 3.76Å; C237-F268 HydrophobicContact CB-CE2 3.78Å; L240-F268 HydrophobicContact CD1-CB 4.09Å; L240-F268 HydrophobicContact CD1-CD2 3.85Å; L240-F268 HydrophobicContact CD1-CG 4.33Å; L264-F268 WeakPolarHBondContact O-CB 3.18Å; L264-F268 PolarHBondContact O-N 3.07Å; L265-F268 WeakPolarHBondContact O-CB 3.34Å; L265-F268 PolarHBondContact O-N 2.88Å; R266-F268 VanDerWaalsContact C-N 3.33Å; R266-F268 PolarHBondContact O-N 3.23Å; F268-A271 PolarHBondContact O-N 3.38Å; F268-E272 HydrophobicContact CD2-CG 4.14Å; F268-E272 HydrophobicContact CE2-CG 3.93Å; F268-E272 WeakPolarHBondContact O-CB 3.49Å; F268-E272 PolarHBondContact O-N 3.02Å; F268-A276 HydrophobicContact CD1-CB 3.73Å; F268-A276 HydrophobicContact CE1-CB 3.61Å; F268-A276 HydrophobicContact CG-CB 4.44Å; F268-A276 HydrophobicContact CZ-CB 4.24Å; F268-R280 HydrophobicContact CZ-CB 4.16Å |
| 269 | V | 90.4 | Very high | 88.5 | Confident | 39 Ų | 39 | 50.4 Ų | 50.4 | 24% | 0.236 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -40.7 | 177 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | L210 L265 R266 A271 G273 A276 | L210-V269 HydrophobicContact CB-CG2 3.92Å; L210-V269 HydrophobicContact CD1-CG2 4.04Å; L265-V269 WeakPolarHBondContact O-CG2 3.3Å; L265-V269 PolarHBondContact O-N 3.22Å; R266-V269 PolarHBondContact O-N 2.99Å; V269-A271 VanDerWaalsContact C-N 3.31Å; V269-A271 PolarHBondContact O-N 3.07Å; V269-G273 WeakPolarHBondContact O-CA 3.48Å; V269-G273 PolarHBondContact O-N 2.98Å; V269-A276 HydrophobicContact CB-CB 4.31Å; V269-A276 HydrophobicContact CG2-CB 3.85Å |
| 270 | Q | 87.8 | Confident | 88.4 | Confident | 160 Ų | 160 | 50.7 Ų | 50.7 | 75% | 0.748 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -62.6 | -38.5 | 177 | -170.4 | -178.5 | 22.7 | 0 | 0 | 112.2 | R266 R267 | R266-Q270 WeakPolarHBondContact O-CB 3.36Å; R266-Q270 PolarHBondContact O-N 2.82Å; R267-Q270 PolarHBondContact O-N 2.98Å |
| 271 | A | 87.2 | Confident | 88.4 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 40% | 0.397 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -78.6 | -42.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A239 R267 F268 V269 | A239-A271 HydrophobicContact CB-CB 3.25Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.15Å; R267-A271 PolarHBondContact O-N 3.31Å; F268-A271 PolarHBondContact O-N 3.38Å; V269-A271 VanDerWaalsContact C-N 3.31Å; V269-A271 PolarHBondContact O-N 3.07Å |
| 272 | E | 84.4 | Confident | 88.2 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -99.1 | -14.2 | -172.4 | -64.8 | -74.2 | 143.8 | 0 | 0 | 112.5 | C237 F268 R274 R275 A276 R280 | C237-E272 WeakPolarHBondContact CA-OE1 3.39Å; C237-E272 HydrophobicContact CB-CG 4.06Å; F268-E272 HydrophobicContact CD2-CG 4.14Å; F268-E272 HydrophobicContact CE2-CG 3.93Å; F268-E272 WeakPolarHBondContact O-CB 3.49Å; F268-E272 PolarHBondContact O-N 3.02Å; E272-R274 PolarHBondContact O-N 3.29Å; E272-R275 HydrophobicContact CB-CB 4.21Å; E272-R275 VanDerWaalsContact O-CB 3.28Å; E272-R275 WeakPolarHBondContact O-CB 3.35Å; E272-R275 PolarHBondContact O-N 3.34Å; E272-A276 HydrophobicContact CB-CB 4.02Å; E272-R280 IonicContact OE2-CZ 3.69Å; E272-R280 IonicContact OE2-NH1 2.76Å; E272-R280 PolarHBondContact OE2-NH1 2.81Å; E272-R280 IonicContact OE2-NH2 3.82Å |
| 273 | G | 84.6 | Confident | 88.1 | Confident | 38 Ų | 38 | 53.1 Ų | 53.1 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | 53.9 | -123.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V269 R275 A276 | V269-G273 WeakPolarHBondContact O-CA 3.48Å; V269-G273 PolarHBondContact O-N 2.98Å; G273-R275 PolarHBondContact O-N 3.14Å; G273-R275 VanDerWaalsContact O-N 3.07Å; G273-A276 WeakPolarHBondContact O-CB 3.35Å; G273-A276 PolarHBondContact O-N 3.13Å |
| 274 | R | 78.3 | Confident | 88 | Confident | 225 Ų | 225 | 52.5 Ų | 52.5 | 85% | 0.849 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -64.7 | -10.4 | 177.4 | -60.5 | -177.8 | -174.8 | 178.1 | 1.6 | 114.1 | E272 | E272-R274 PolarHBondContact O-N 3.29Š|
| 275 | R | 80.3 | Confident | 87.9 | Confident | 183 Ų | 183 | 52.5 Ų | 52.5 | 69% | 0.691 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -92.6 | -5.6 | 176.7 | -53 | -179 | 70.2 | 175.1 | 0.5 | 112.8 | E272 G273 T277 R280 | E272-R275 HydrophobicContact CB-CB 4.21Å; E272-R275 VanDerWaalsContact O-CB 3.28Å; E272-R275 WeakPolarHBondContact O-CB 3.35Å; E272-R275 PolarHBondContact O-N 3.34Å; G273-R275 PolarHBondContact O-N 3.14Å; G273-R275 VanDerWaalsContact O-N 3.07Å; R275-T277 PolarHBondContact O-N 3.02Å; R275-R280 WeakPolarHBondContact O-CD 3.47Å; R275-R280 PolarHBondContact O-NH1 2.96Å |
| 276 | A | 88 | Confident | 87.7 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | trans | -75.9 | 78 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | P209 L210 F268 V269 E272 G273 | P209-A276 WeakPolarHBondContact CA-O 3.4Å; L210-A276 HydrophobicContact CD1-CB 4.4Å; L210-A276 WeakPolarHBondContact CG-O 3.04Å; L210-A276 PolarHBondContact N-O 3.41Å; F268-A276 HydrophobicContact CD1-CB 3.73Å; F268-A276 HydrophobicContact CE1-CB 3.61Å; F268-A276 HydrophobicContact CG-CB 4.44Å; F268-A276 HydrophobicContact CZ-CB 4.24Å; V269-A276 HydrophobicContact CB-CB 4.31Å; V269-A276 HydrophobicContact CG2-CB 3.85Å; E272-A276 HydrophobicContact CB-CB 4.02Å; G273-A276 WeakPolarHBondContact O-CB 3.35Å; G273-A276 PolarHBondContact O-N 3.13Å | ||
| 277 | T | 88.6 | Confident | 87.6 | Confident | 14 Ų | 14 | 57 Ų | 57 | 9% | 0.086 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -92.2 | 154.4 | -175.5 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | N207 R208 R275 Q279 R280 L281 | N207-T277 WeakPolarHBondContact OD1-CB 3.29Å; R208-T277 WeakPolarHBondContact O-CA 3.37Å; R275-T277 PolarHBondContact O-N 3.02Å; T277-Q279 PolarHBondContact O-N 3.21Å; T277-R280 PolarHBondContact O-N 3.05Å; T277-R280 WeakPolarHBondContact OG1-CG 3.43Å; T277-L281 PolarHBondContact O-N 3.47Å |
| 278 | L | 88.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.6 | -40.8 | 174.1 | -175.4 | 61.3 | 0 | 0 | 0 | 111.5 | R208 L210 R280 L281 V282 L297 L298 | R208-L278 HydrophobicContact CG-CB 4.34Å; R208-L278 HydrophobicContact CG-CD2 4.14Å; R208-L278 WeakPolarHBondContact O-CB 3.35Å; R208-L278 PolarHBondContact O-N 3.42Å; L210-L278 HydrophobicContact CD2-CB 4.47Å; L210-L278 HydrophobicContact CD2-CD1 4.14Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 2.84Å; L278-L281 PolarHBondContact O-N 2.88Å; L278-L281 VanDerWaalsContact O-N 3.14Å; L278-V282 HydrophobicContact CD1-CG2 4.3Å; L278-V282 HydrophobicContact CG-CG2 4.26Å; L278-V282 WeakPolarHBondContact O-CG2 3.38Å; L278-V282 PolarHBondContact O-N 3.43Å; L278-L297 HydrophobicContact CD1-CB 4.33Å; L278-L298 HydrophobicContact CD1-CD2 4.5Å; L278-L298 HydrophobicContact CD2-CD2 3.54Å; L278-L298 HydrophobicContact CG-CD2 3.94Å |
| 279 | Q | 88.5 | Confident | 87.4 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 23% | 0.229 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -51.2 | -48.1 | 175.5 | 179 | -176.6 | -2.6 | 0 | 0 | 112.7 | F198 N207 T277 L281 V282 E283 | F198-Q279 HydrophobicContact CB-CB 4.48Å; F198-Q279 HydrophobicContact CB-CG 3.98Å; F198-Q279 HydrophobicContact CD1-CB 3.7Å; F198-Q279 HydrophobicContact CD1-CG 4.09Å; F198-Q279 HydrophobicContact CD2-CB 4.23Å; F198-Q279 HydrophobicContact CD2-CG 3.91Å; F198-Q279 HydrophobicContact CE1-CB 3.88Å; F198-Q279 HydrophobicContact CE2-CB 4.38Å; F198-Q279 HydrophobicContact CE2-CG 4.4Å; F198-Q279 HydrophobicContact CG-CB 3.89Å; F198-Q279 HydrophobicContact CG-CG 3.73Å; F198-Q279 HydrophobicContact CZ-CB 4.21Å; N207-Q279 PolarHBondContact ND2-OE1 3.49Å; N207-Q279 WeakPolarHBondContact OD1-CB 3.01Å; N207-Q279 PolarHBondContact OD1-N 2.93Å; T277-Q279 PolarHBondContact O-N 3.21Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.89Å; Q279-V282 PolarHBondContact O-N 3Å; Q279-E283 HydrophobicContact CG-CG 4.4Å; Q279-E283 VanDerWaalsContact CG-OE1 3.29Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.44Å; Q279-E283 PolarHBondContact NE2-OE1 3.27Å; Q279-E283 WeakPolarHBondContact O-CB 3.43Å; Q279-E283 WeakPolarHBondContact O-CG 3.33Å; Q279-E283 PolarHBondContact O-N 3.39Å |
| 280 | R | 89.3 | Confident | 87.2 | Confident | 44 Ų | 44 | 61 Ų | 61 | 17% | 0.166 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.1 | -32.9 | -176.6 | -68.7 | 172.3 | 65.1 | 176.9 | 5.2 | 112.4 | L233 G236 F268 E272 R275 T277 L278 A284 | L233-R280 WeakPolarHBondContact CD2-O 3.28Å; G236-R280 PolarHBondContact O-NH2 3.18Å; F268-R280 HydrophobicContact CZ-CB 4.16Å; E272-R280 IonicContact OE2-CZ 3.69Å; E272-R280 IonicContact OE2-NH1 2.76Å; E272-R280 PolarHBondContact OE2-NH1 2.81Å; E272-R280 IonicContact OE2-NH2 3.82Å; R275-R280 WeakPolarHBondContact O-CD 3.47Å; R275-R280 PolarHBondContact O-NH1 2.96Å; T277-R280 PolarHBondContact O-N 3.05Å; T277-R280 WeakPolarHBondContact OG1-CG 3.43Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 2.84Å; R280-A284 WeakPolarHBondContact O-CB 3.46Å; R280-A284 PolarHBondContact O-N 3.26Å |
| 281 | L | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.9 | -45.1 | 174.3 | -179.5 | 57.8 | 0 | 0 | 0 | 110.4 | L210 F218 V229 L233 L265 T277 L278 Q279 A284 L285 L297 | L210-L281 HydrophobicContact CD1-CD2 4.28Å; L210-L281 HydrophobicContact CD2-CB 3.97Å; L210-L281 HydrophobicContact CD2-CD2 3.53Å; L210-L281 HydrophobicContact CD2-CG 4.41Å; F218-L281 HydrophobicContact CD2-CD1 4.13Å; F218-L281 HydrophobicContact CE2-CD1 4.13Å; V229-L281 HydrophobicContact CG1-CD1 4.34Å; L233-L281 HydrophobicContact CD1-CD1 4.47Å; L265-L281 HydrophobicContact CD1-CD1 4.49Å; L265-L281 HydrophobicContact CD1-CD2 3.97Å; L265-L281 HydrophobicContact CD2-CD1 3.76Å; L265-L281 HydrophobicContact CD2-CD2 4.38Å; T277-L281 PolarHBondContact O-N 3.47Å; L278-L281 PolarHBondContact O-N 2.88Å; L278-L281 VanDerWaalsContact O-N 3.14Å; Q279-L281 VanDerWaalsContact C-N 3.29Å; Q279-L281 PolarHBondContact O-N 2.89Å; L281-A284 PolarHBondContact O-N 3.38Å; L281-L285 HydrophobicContact CD1-CD1 4.37Å; L281-L285 HydrophobicContact CD1-CG 4.33Å; L281-L285 HydrophobicContact CG-CD1 4.06Å; L281-L285 HydrophobicContact CG-CG 4.46Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 3.01Å; L281-L297 HydrophobicContact CD2-CD1 3.83Å; L281-L297 HydrophobicContact CG-CD1 4.27Å |
| 282 | V | 89.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 177.9 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | F198 F200 L278 Q279 A284 L285 E286 A294 L298 | F198-V282 HydrophobicContact CE2-CB 4.12Å; F198-V282 HydrophobicContact CE2-CG1 3.95Å; F198-V282 HydrophobicContact CE2-CG2 4.45Å; F198-V282 HydrophobicContact CZ-CB 4.26Å; F198-V282 HydrophobicContact CZ-CG1 4.46Å; F198-V282 HydrophobicContact CZ-CG2 4.15Å; F200-V282 HydrophobicContact CD2-CG1 3.31Å; F200-V282 HydrophobicContact CE2-CG1 3.63Å; F200-V282 HydrophobicContact CG-CG1 4.2Å; L278-V282 HydrophobicContact CD1-CG2 4.3Å; L278-V282 HydrophobicContact CG-CG2 4.26Å; L278-V282 WeakPolarHBondContact O-CG2 3.38Å; L278-V282 PolarHBondContact O-N 3.43Å; Q279-V282 PolarHBondContact O-N 3Å; V282-A284 VanDerWaalsContact C-N 3.27Å; V282-A284 PolarHBondContact O-N 2.84Å; V282-L285 WeakPolarHBondContact O-CB 3.43Å; V282-L285 PolarHBondContact O-N 3.18Å; V282-E286 HydrophobicContact CG1-CG 4.4Å; V282-E286 WeakPolarHBondContact O-CG 3.33Å; V282-E286 PolarHBondContact O-N 3.34Å; V282-A294 HydrophobicContact CG1-CB 4.23Å; V282-L298 HydrophobicContact CG1-CD1 4.36Å; V282-L298 HydrophobicContact CG2-CD1 4.16Å; V282-L298 HydrophobicContact CG2-CD2 3.9Å; V282-L298 HydrophobicContact CG2-CG 4.15Å |
| 283 | E | 89.3 | Confident | 86.9 | Confident | 85 Ų | 85 | 54.7 Ų | 54.7 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56 | -43.6 | 174.9 | -73.6 | 169.3 | -176.2 | 0 | 0 | 111.1 | Q279 L285 E286 E287 | Q279-E283 HydrophobicContact CG-CG 4.4Å; Q279-E283 VanDerWaalsContact CG-OE1 3.29Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.44Å; Q279-E283 PolarHBondContact NE2-OE1 3.27Å; Q279-E283 WeakPolarHBondContact O-CB 3.43Å; Q279-E283 WeakPolarHBondContact O-CG 3.33Å; Q279-E283 PolarHBondContact O-N 3.39Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 3.17Å; E283-E286 PolarHBondContact O-N 3.29Å; E283-E287 WeakPolarHBondContact O-CG 3.47Å; E283-E287 PolarHBondContact O-N 3.44Å; E283-E287 VanDerWaalsContact O-N 3.08Å |
| 284 | A | 90.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.5 | -30.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V229 L233 R280 L281 V282 N288 | V229-A284 HydrophobicContact CG1-CB 4.11Å; L233-A284 HydrophobicContact CD2-CB 3.71Å; L233-A284 HydrophobicContact CG-CB 3.91Å; R280-A284 WeakPolarHBondContact O-CB 3.46Å; R280-A284 PolarHBondContact O-N 3.26Å; L281-A284 PolarHBondContact O-N 3.38Å; V282-A284 VanDerWaalsContact C-N 3.27Å; V282-A284 PolarHBondContact O-N 2.84Å; A284-N288 PolarHBondContact O-ND2 3.04Å |
| 285 | L | 89.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74.3 | -41.1 | 175.6 | -71.5 | 171.1 | 0 | 0 | 0 | 111.6 | F218 V229 L281 V282 E283 N288 E289 L290 L293 A294 L297 | F218-L285 HydrophobicContact CD2-CD2 4.12Å; F218-L285 HydrophobicContact CE2-CD2 3.9Å; V229-L285 HydrophobicContact CG2-CD2 4.06Å; L281-L285 HydrophobicContact CD1-CD1 4.37Å; L281-L285 HydrophobicContact CD1-CG 4.33Å; L281-L285 HydrophobicContact CG-CD1 4.06Å; L281-L285 HydrophobicContact CG-CG 4.46Å; L281-L285 VanDerWaalsContact O-CG 3.26Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 3.01Å; V282-L285 WeakPolarHBondContact O-CB 3.43Å; V282-L285 PolarHBondContact O-N 3.18Å; E283-L285 VanDerWaalsContact C-N 3.34Å; E283-L285 PolarHBondContact O-N 3.17Å; L285-N288 CarbonylContact O-C 3.5Å; L285-N288 PolarHBondContact O-N 2.78Å; L285-N288 VanDerWaalsContact O-N 3.09Å; L285-E289 PolarHBondContact O-N 2.95Å; L285-L290 HydrophobicContact CB-CB 4.15Å; L285-L290 HydrophobicContact CD2-CB 3.77Å; L285-L290 HydrophobicContact CD2-CD1 3.73Å; L285-L290 HydrophobicContact CD2-CG 4.43Å; L285-L290 PolarHBondContact O-N 3.22Å; L285-L293 HydrophobicContact CD1-CG 4.23Å; L285-L293 HydrophobicContact CD2-CD2 3.87Å; L285-L293 HydrophobicContact CD2-CG 4.34Å; L285-A294 HydrophobicContact CB-CB 4.15Å; L285-A294 HydrophobicContact CD1-CB 4.18Å; L285-L297 HydrophobicContact CD1-CD1 3.44Å; L285-L297 VanDerWaalsContact CD1-CD1 3.44Å |
| 286 | E | 87.9 | Confident | 87.4 | Confident | 75 Ų | 75 | 39.4 Ų | 39.4 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 175.4 | -72.2 | -178 | 113.7 | 0 | 0 | 111.5 | F200 V282 E283 N288 E289 | F200-E286 HydrophobicContact CD2-CG 4.25Å; F200-E286 WeakPolarHBondContact CD2-OE1 3.23Å; F200-E286 HydrophobicContact CE2-CG 3.71Å; F200-E286 WeakPolarHBondContact CE2-OE1 3.32Å; V282-E286 HydrophobicContact CG1-CG 4.4Å; V282-E286 WeakPolarHBondContact O-CG 3.33Å; V282-E286 PolarHBondContact O-N 3.34Å; E283-E286 PolarHBondContact O-N 3.29Å; E286-N288 PolarHBondContact O-N 3.21Å; E286-N288 VanDerWaalsContact O-N 3.14Å; E286-E289 PolarHBondContact O-N 3.42Å |
| 287 | E | 88.7 | Confident | 87.2 | Confident | 107 Ų | 107 | 39.8 Ų | 39.8 | 50% | 0.5 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.4 | 174.7 | -76.3 | -177.9 | -169 | 0 | 0 | 113.9 | S232 R235 E283 | S232-E287 VanDerWaalsContact CB-OE2 3.25Å; S232-E287 WeakPolarHBondContact CB-OE2 3.33Å; S232-E287 PolarHBondContact OG-OE2 2.87Å; R235-E287 IonicContact CZ-OE1 3.33Å; R235-E287 IonicContact CZ-OE2 2.68Å; R235-E287 VanDerWaalsContact CZ-OE2 3.27Å; R235-E287 VanDerWaalsContact NH1-CD 3.26Å; R235-E287 IonicContact NH1-OE1 3.22Å; R235-E287 PolarHBondContact NH1-OE1 3.44Å; R235-E287 IonicContact NH1-OE2 2.63Å; R235-E287 PolarHBondContact NH1-OE2 3.08Å; R235-E287 IonicContact NH2-OE2 3.42Å; R235-E287 PolarHBondContact NH2-OE2 3.3Å; E283-E287 WeakPolarHBondContact O-CG 3.47Å; E283-E287 PolarHBondContact O-N 3.44Å; E283-E287 VanDerWaalsContact O-N 3.08Å |
| 288 | N | 88 | Confident | 86.9 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 17 | -175.6 | -75.3 | -75.6 | 0 | 0 | 0 | 113.4 | K228 V229 S232 A284 L285 E286 L290 | K228-N288 WeakPolarHBondContact CB-OD1 3.02Å; V229-N288 HydrophobicContact CG2-CB 4.2Å; S232-N288 PolarHBondContact OG-ND2 3Å; A284-N288 PolarHBondContact O-ND2 3.04Å; L285-N288 CarbonylContact O-C 3.5Å; L285-N288 PolarHBondContact O-N 2.78Å; L285-N288 VanDerWaalsContact O-N 3.09Å; E286-N288 PolarHBondContact O-N 3.21Å; E286-N288 VanDerWaalsContact O-N 3.14Å; N288-L290 HydrophobicContact CB-CD1 4.48Å; N288-L290 PolarHBondContact O-N 3.17Å |
| 289 | E | 86.9 | Confident | 86.4 | Confident | 164 Ų | 164 | 43.2 Ų | 43.2 | 77% | 0.766 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 35.6 | 178.4 | -52.7 | 166.4 | 172.4 | 0 | 0 | 112 | L285 E286 | L285-E289 PolarHBondContact O-N 2.95Å; E286-E289 PolarHBondContact O-N 3.42Å |
| 290 | L | 87.3 | Confident | 85.5 | Confident | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | trans | -111.1 | 43.3 | 177.8 | -74.1 | 172.8 | 0 | 0 | 0 | 111 | V222 K225 V229 L285 N288 S292 L293 A294 | V222-L290 HydrophobicContact CG2-CD1 3.85Å; K225-L290 HydrophobicContact CB-CD1 4.07Å; K225-L290 HydrophobicContact CD-CD1 4.08Å; K225-L290 HydrophobicContact CD-CD2 3.76Å; K225-L290 HydrophobicContact CD-CG 4.02Å; V229-L290 HydrophobicContact CG2-CD1 3.83Å; L285-L290 HydrophobicContact CB-CB 4.15Å; L285-L290 HydrophobicContact CD2-CB 3.77Å; L285-L290 HydrophobicContact CD2-CD1 3.73Å; L285-L290 HydrophobicContact CD2-CG 4.43Å; L285-L290 PolarHBondContact O-N 3.22Å; N288-L290 HydrophobicContact CB-CD1 4.48Å; N288-L290 PolarHBondContact O-N 3.17Å; L290-S292 VanDerWaalsContact C-N 3.34Å; L290-S292 PolarHBondContact O-N 3.01Å; L290-L293 HydrophobicContact CB-CB 4.39Å; L290-L293 PolarHBondContact O-N 3.27Å; L290-A294 PolarHBondContact O-N 2.95Å | ||
| 291 | T | 84.7 | Confident | 84.2 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.8 | -36 | -176 | -45.8 | 0 | 0 | 0 | 0 | 112.6 | F200 L293 A294 E295 | F200-T291 HydrophobicContact CE2-CG2 4.43Å; F200-T291 HydrophobicContact CZ-CG2 3.94Å; T291-L293 PolarHBondContact O-N 3.01Å; T291-A294 WeakPolarHBondContact O-CB 3.07Å; T291-A294 PolarHBondContact O-N 3.43Å; T291-A294 VanDerWaalsContact O-N 3.12Å; T291-E295 WeakPolarHBondContact O-CG 3.11Å; T291-E295 PolarHBondContact O-N 3.27Å |
| 292 | S | 82.8 | Confident | 82.6 | Confident | 62 Ų | 62 | 51.7 Ų | 51.7 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | L290 A294 E295 D296 | L290-S292 VanDerWaalsContact C-N 3.34Å; L290-S292 PolarHBondContact O-N 3.01Å; S292-A294 VanDerWaalsContact C-N 3.31Å; S292-A294 PolarHBondContact O-N 3.44Å; S292-E295 WeakPolarHBondContact O-CB 3.39Å; S292-E295 PolarHBondContact O-N 2.95Å; S292-D296 PolarHBondContact O-N 2.99Å |
| 293 | L | 84.8 | Confident | 80.9 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 174.3 | 179.8 | 54.5 | 0 | 0 | 0 | 111.8 | T217 F218 S221 V222 L285 L290 T291 D296 L297 | T217-L293 HydrophobicContact CG2-CD1 4.25Å; F218-L293 HydrophobicContact CD2-CD2 4.06Å; S221-L293 VanDerWaalsContact CB-CD1 3.49Å; V222-L293 HydrophobicContact CB-CD2 4.14Å; L285-L293 HydrophobicContact CD1-CG 4.23Å; L285-L293 HydrophobicContact CD2-CD2 3.87Å; L285-L293 HydrophobicContact CD2-CG 4.34Å; L290-L293 HydrophobicContact CB-CB 4.39Å; L290-L293 PolarHBondContact O-N 3.27Å; T291-L293 PolarHBondContact O-N 3.01Å; L293-D296 PolarHBondContact O-N 2.82Å; L293-L297 HydrophobicContact CD1-CG 4.47Å; L293-L297 HydrophobicContact CG-CD1 4.48Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.4Å; L293-L297 PolarHBondContact O-N 3.44Å; L293-L297 VanDerWaalsContact O-N 3.12Å |
| 294 | A | 85.7 | Confident | 78.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F200 V282 L285 L290 T291 S292 D296 L297 L298 | F200-A294 HydrophobicContact CE2-CB 3.76Å; F200-A294 HydrophobicContact CZ-CB 3.72Å; V282-A294 HydrophobicContact CG1-CB 4.23Å; L285-A294 HydrophobicContact CB-CB 4.15Å; L285-A294 HydrophobicContact CD1-CB 4.18Å; L290-A294 PolarHBondContact O-N 2.95Å; T291-A294 WeakPolarHBondContact O-CB 3.07Å; T291-A294 PolarHBondContact O-N 3.43Å; T291-A294 VanDerWaalsContact O-N 3.12Å; S292-A294 VanDerWaalsContact C-N 3.31Å; S292-A294 PolarHBondContact O-N 3.44Å; A294-D296 PolarHBondContact O-N 3.26Å; A294-L297 PolarHBondContact O-N 3.35Å; A294-L298 WeakPolarHBondContact O-CD1 3.39Å; A294-L298 WeakPolarHBondContact O-CG 3.46Å; A294-L298 PolarHBondContact O-N 3.34Å; A294-L298 VanDerWaalsContact O-N 3.07Å |
| 295 | E | 84.8 | Confident | 76.7 | Confident | 57 Ų | 57 | 63.9 Ų | 63.9 | 27% | 0.266 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 173.9 | -70.4 | 162.5 | -170.2 | 0 | 0 | 112 | F200 Q201 T291 S292 L297 L298 G299 L300 | F200-E295 HydrophobicContact CE1-CG 3.75Å; F200-E295 HydrophobicContact CZ-CG 4.02Å; Q201-E295 PolarHBondContact NE2-OE1 3.39Å; T291-E295 WeakPolarHBondContact O-CG 3.11Å; T291-E295 PolarHBondContact O-N 3.27Å; S292-E295 WeakPolarHBondContact O-CB 3.39Å; S292-E295 PolarHBondContact O-N 2.95Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 3.19Å; E295-L298 CarbonylContact O-C 3.57Å; E295-L298 PolarHBondContact O-N 3.01Å; E295-L298 VanDerWaalsContact O-N 3.16Å; E295-G299 PolarHBondContact O-N 3.09Å; E295-L300 HydrophobicContact CB-CB 4.45Å; E295-L300 PolarHBondContact O-N 2.73Å |
| 296 | D | 84.6 | Confident | 74.5 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 37% | 0.369 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.7 | -73.1 | -20.6 | 0 | 0 | 0 | 111.7 | T217 S292 L293 A294 L298 G299 T301 | T217-D296 HydrophobicContact CG2-CB 4.26Å; S292-D296 PolarHBondContact O-N 2.99Å; L293-D296 PolarHBondContact O-N 2.82Å; A294-D296 PolarHBondContact O-N 3.26Å; D296-L298 VanDerWaalsContact C-N 3.3Å; D296-L298 PolarHBondContact O-N 2.98Å; D296-G299 PolarHBondContact O-N 2.56Å; D296-T301 WeakPolarHBondContact CA-OG1 3.49Å; D296-T301 PolarHBondContact N-OG1 2.95Å; D296-T301 WeakPolarHBondContact OD1-CB 3.33Å; D296-T301 VanDerWaalsContact OD1-CG2 3.29Å; D296-T301 WeakPolarHBondContact OD1-CG2 3.48Å; D296-T301 PolarHBondContact OD1-OG1 3.46Å |
| 297 | L | 83.2 | Confident | 72.2 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 4% | 0.042 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -69.3 | -29.2 | 179 | -70.4 | 173.4 | 0 | 0 | 0 | 113.1 | D214 T217 L278 L281 L285 L293 A294 E295 G299 | D214-L297 HydrophobicContact CB-CD2 3.87Å; D214-L297 WeakPolarHBondContact O-CD2 3.45Å; T217-L297 HydrophobicContact CG2-CD2 3.9Å; T217-L297 HydrophobicContact CG2-CG 4.5Å; L278-L297 HydrophobicContact CD1-CB 4.33Å; L281-L297 HydrophobicContact CD2-CD1 3.83Å; L281-L297 HydrophobicContact CG-CD1 4.27Å; L285-L297 HydrophobicContact CD1-CD1 3.44Å; L285-L297 VanDerWaalsContact CD1-CD1 3.44Å; L293-L297 HydrophobicContact CD1-CG 4.47Å; L293-L297 HydrophobicContact CG-CD1 4.48Å; L293-L297 VanDerWaalsContact O-CG 3.25Å; L293-L297 WeakPolarHBondContact O-CG 3.4Å; L293-L297 PolarHBondContact O-N 3.44Å; L293-L297 VanDerWaalsContact O-N 3.12Å; A294-L297 PolarHBondContact O-N 3.35Å; E295-L297 VanDerWaalsContact C-N 3.32Å; E295-L297 PolarHBondContact O-N 3.19Å; L297-G299 VanDerWaalsContact C-N 3.31Å |
| 298 | L | 82.5 | Confident | 70 | Confident | 26 Ų | 26 | 75 Ų | 75 | 14% | 0.136 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -87 | -5.3 | 177.5 | -60.3 | 169.9 | 0 | 0 | 0 | 112.1 | F198 F200 V205 L278 V282 A294 E295 D296 L300 | F198-L298 HydrophobicContact CZ-CD2 3.92Å; F200-L298 HydrophobicContact CB-CD1 3.93Å; F200-L298 HydrophobicContact CD1-CD1 3.29Å; F200-L298 HydrophobicContact CD2-CD1 3.99Å; F200-L298 HydrophobicContact CE1-CD1 3.66Å; F200-L298 HydrophobicContact CE2-CD1 4.3Å; F200-L298 HydrophobicContact CG-CD1 3.45Å; F200-L298 VanDerWaalsContact CG-CD1 3.45Å; F200-L298 HydrophobicContact CZ-CD1 4.14Å; V205-L298 HydrophobicContact CB-CD2 4.34Å; V205-L298 HydrophobicContact CG1-CD2 3.41Å; V205-L298 VanDerWaalsContact CG1-CD2 3.41Å; V205-L298 HydrophobicContact CG1-CG 4.34Å; V205-L298 HydrophobicContact CG2-CD1 4.32Å; L278-L298 HydrophobicContact CD1-CD2 4.5Å; L278-L298 HydrophobicContact CD2-CD2 3.54Å; L278-L298 HydrophobicContact CG-CD2 3.94Å; V282-L298 HydrophobicContact CG1-CD1 4.36Å; V282-L298 HydrophobicContact CG2-CD1 4.16Å; V282-L298 HydrophobicContact CG2-CD2 3.9Å; V282-L298 HydrophobicContact CG2-CG 4.15Å; A294-L298 WeakPolarHBondContact O-CD1 3.39Å; A294-L298 WeakPolarHBondContact O-CG 3.46Å; A294-L298 PolarHBondContact O-N 3.34Å; A294-L298 VanDerWaalsContact O-N 3.07Å; E295-L298 CarbonylContact O-C 3.57Å; E295-L298 PolarHBondContact O-N 3.01Å; E295-L298 VanDerWaalsContact O-N 3.16Å; D296-L298 VanDerWaalsContact C-N 3.3Å; D296-L298 PolarHBondContact O-N 2.98Å; L298-L300 HydrophobicContact CB-CD1 3.82Å; L298-L300 HydrophobicContact CB-CG 3.8Å; L298-L300 HydrophobicContact CD1-CD1 4.09Å; L298-L300 PolarHBondContact O-N 2.98Å |
| 299 | G | 76.3 | Confident | 69.1 | Low | 64 Ų | 64 | 77.5 Ų | 77.5 | 66% | 0.66 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 25.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E295 D296 L297 | E295-G299 PolarHBondContact O-N 3.09Å; D296-G299 PolarHBondContact O-N 2.56Å; L297-G299 VanDerWaalsContact C-N 3.31Å |
| 300 | L | 69.6 | Low | 68.1 | Low | 90 Ų | 90 | 72.9 Ų | 72.9 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | trans | -92.6 | -9 | 179.8 | -62.7 | 176.7 | 0 | 0 | 0 | 112.4 | F200 V205 E295 L298 D302 | F200-L300 HydrophobicContact CD1-CD1 3.9Å; F200-L300 HydrophobicContact CE1-CD1 4.24Å; V205-L300 HydrophobicContact CG2-CD1 4.45Å; E295-L300 HydrophobicContact CB-CB 4.45Å; E295-L300 PolarHBondContact O-N 2.73Å; L298-L300 HydrophobicContact CB-CD1 3.82Å; L298-L300 HydrophobicContact CB-CG 3.8Å; L298-L300 HydrophobicContact CD1-CD1 4.09Å; L298-L300 PolarHBondContact O-N 2.98Å; L300-D302 PolarHBondContact O-N 2.9Å | ||
| 301 | T | 63.9 | Low | 67.1 | Low | 52 Ų | 52 | 76.2 Ų | 76.2 | 32% | 0.319 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -71.5 | 119.2 | 176.6 | -45.6 | 0 | 0 | 0 | 0 | 110.6 | D296 P303 | D296-T301 WeakPolarHBondContact CA-OG1 3.49Å; D296-T301 PolarHBondContact N-OG1 2.95Å; D296-T301 WeakPolarHBondContact OD1-CB 3.33Å; D296-T301 VanDerWaalsContact OD1-CG2 3.29Å; D296-T301 WeakPolarHBondContact OD1-CG2 3.48Å; D296-T301 PolarHBondContact OD1-OG1 3.46Å; T301-P303 WeakPolarHBondContact O-CD 3.25Å |
| 302 | D | 54.5 | Low | 66 | Low | 129 Ų | 129 | 77.6 Ų | 77.6 | 69% | 0.69 | 51% | 0.508 | S | S | * | . | trans | -62.8 | 122.8 | 168.9 | -105.2 | -45 | 0 | 0 | 0 | 109.1 | L300 N304 G305 | L300-D302 PolarHBondContact O-N 2.9Å; D302-N304 PolarHBondContact O-N 3.01Å; D302-G305 PolarHBondContact O-N 3.47Å | ||
| 303 | P | 54.4 | Low | 65 | Low | 128 Ų | 128 | 78.6 Ų | 78.6 | 83% | 0.831 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 1.7 | -177.6 | 26.2 | -33.9 | 0 | 0 | 0 | 114.1 | T301 | T301-P303 WeakPolarHBondContact O-CD 3.25Š|
| 304 | N | 47.4 | Very low | 63.7 | Low | 165 Ų | 165 | 83.7 Ų | 83.7 | 88% | 0.882 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 5.3 | 178.7 | -108.8 | -5 | 0 | 0 | 0 | 113.8 | D302 | D302-N304 PolarHBondContact O-N 3.01Š|
| 305 | G | 44 | Very low | 62.1 | Low | 52 Ų | 52 | 89.6 Ų | 89.6 | 54% | 0.536 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -97.9 | 100.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D302 | D302-G305 PolarHBondContact O-N 3.47Š|
| 306 | G | 42.1 | Very low | 60.3 | Low | 70 Ų | 70 | 92.2 Ų | 92.2 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | trans | 46.7 | 109.6 | 152.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | A308 | G306-A308 PolarHBondContact O-N 3.16Å; G306-A308 VanDerWaalsContact O-N 3.12Å | ||
| 307 | L | 40 | Very low | 58.3 | Low | 193 Ų | 193 | 94.1 Ų | 94.1 | 100% | 1.01 | 63% | 0.63 | S | S | * | * | trans | -46.9 | 114.6 | 165.9 | -72.3 | 161.2 | 0 | 0 | 0 | 111.7 | ||||
| 308 | A | 41.9 | Very low | 56.1 | Low | 152 Ų | 152 | 101.9 Ų | 101.9 | 100% | 1.256 | 68% | 0.683 | S | S | * | * | trans | -110.2 | 0 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G306 | G306-A308 PolarHBondContact O-N 3.16Å; G306-A308 VanDerWaalsContact O-N 3.12Å |
Retrieved 308 of 308 residues in 87.4 ms
(Link to these results)