| 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 | 29.6 | Very low | 52.9 | Low | 232 Ų | 232 | 110.7 Ų | 110.7 | 100% | 1.143 | 57% | 0.573 | S | S | * | * | 0 | 79.2 | 0 | -73.9 | 173.5 | 178.4 | 0 | 0 | 105.8 | |||||
| 2 | T | 35.2 | Very low | 55.7 | Low | 106 Ų | 106 | 103.3 Ų | 103.3 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | 81.3 | 84.4 | 104 | 50.1 | 0 | 0 | 0 | 0 | 111.6 | L4 E5 | T2-L4 PolarHBondContact O-N 2.82Å; T2-E5 PolarHBondContact O-N 2.88Å | |||
| 3 | D | 36.2 | Very low | 58.2 | Low | 156 Ų | 156 | 100.2 Ų | 100.2 | 83% | 0.834 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 20.8 | 175 | -70.1 | -50.1 | 0 | 0 | 0 | 115.4 | ||
| 4 | L | 39.3 | Very low | 60.5 | Low | 136 Ų | 136 | 96 Ų | 96 | 71% | 0.712 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.4 | 11.1 | -178.5 | -113.8 | 94.2 | 0 | 0 | 0 | 114.6 | T2 V6 | T2-L4 PolarHBondContact O-N 2.82Å; L4-V6 PolarHBondContact O-N 3.37Å |
| 5 | E | 37.7 | Very low | 62.6 | Low | 169 Ų | 169 | 93.9 Ų | 93.9 | 79% | 0.79 | 49% | 0.493 | S | S | * | . | trans | -83.1 | 19.2 | 158.1 | -83 | -166.6 | 166.7 | 0 | 0 | 112.3 | T2 M7 | T2-E5 PolarHBondContact O-N 2.88Å; E5-M7 PolarHBondContact O-N 3.02Å | ||
| 6 | V | 45.7 | Very low | 64.4 | Low | 99 Ų | 99 | 90.9 Ų | 90.9 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | trans | -57.9 | 103.9 | 154.3 | -175.8 | 0 | 0 | 0 | 0 | 104.8 | L4 G8 | L4-V6 PolarHBondContact O-N 3.37Å; V6-G8 PolarHBondContact O-N 2.79Å | ||
| 7 | M | 49.6 | Very low | 66 | Low | 135 Ų | 135 | 87.5 Ų | 87.5 | 67% | 0.665 | 46% | 0.461 | S | S | * | . | trans | -64.8 | 45.1 | 176.4 | -73.3 | -160.6 | 62.6 | 0 | 0 | 111.6 | E5 | E5-M7 PolarHBondContact O-N 3.02Š| ||
| 8 | G | 68.4 | Low | 67.5 | Low | 23 Ų | 23 | 83.1 Ų | 83.1 | 24% | 0.237 | 44% | 0.439 | C | S | . | . | trans | -73.6 | 153.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V6 F171 | V6-G8 PolarHBondContact O-N 2.79Å; G8-F171 CarbonylContact C-O 3.58Å; G8-F171 VanDerWaalsContact CA-O 3.27Å; G8-F171 WeakPolarHBondContact CA-O 3.27Å | ||
| 9 | C | 78 | Confident | 68.9 | Low | 13 Ų | 13 | 79.4 Ų | 79.4 | 9% | 0.088 | 42% | 0.419 | C | S | . | . | trans | -66.2 | 153.6 | 172 | -52 | 0 | 0 | 0 | 0 | 109.1 | L11 K94 V95 G96 F171 | C9-L11 WeakPolarHBondContact CB-O 3.16Å; C9-K94 WeakPolarHBondContact CB-O 3.44Å; C9-K94 PolarHBondContact SG-O 2.9Å; C9-V95 VanDerWaalsContact SG-C 3.59Å; C9-G96 VanDerWaalsContact CB-N 3.32Å; C9-G96 VanDerWaalsContact SG-CA 3.59Å; C9-G96 PolarHBondContact SG-N 3.43Å; C9-F171 HydrophobicContact CB-CD1 4.49Å; C9-F171 WeakPolarHBondContact CB-O 3.06Å; C9-F171 PolarHBondContact N-O 3.49Å; C9-F171 VanDerWaalsContact O-CD1 3.22Å; C9-F171 WeakPolarHBondContact O-CD1 3.28Å; C9-F171 PolarHBondContact SG-O 3.33Å | ||
| 10 | R | 78.5 | Confident | 70 | Confident | 132 Ų | 132 | 76 Ų | 76 | 50% | 0.498 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -91.8 | -7.8 | 167 | -64.7 | -168.7 | 81.2 | -169.5 | 9.9 | 113 | A79 | R10-A79 PolarHBondContact NH1-O 2.85Å; R10-A79 VanDerWaalsContact NH1-O 3.12Å |
| 11 | L | 83.2 | Confident | 71 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 9% | 0.089 | 39% | 0.386 | C | S | . | . | trans | -137.4 | 127.4 | -177.7 | 173.8 | 54.6 | 0 | 0 | 0 | 107.5 | C9 F75 C76 V95 G96 | C9-L11 WeakPolarHBondContact CB-O 3.16Å; L11-F75 HydrophobicContact CD1-CD1 3.62Å; L11-F75 HydrophobicContact CD1-CE1 3.45Å; L11-F75 VanDerWaalsContact CD1-CE1 3.45Å; L11-F75 HydrophobicContact CD2-CD1 3.7Å; L11-F75 HydrophobicContact CD2-CE1 4.3Å; L11-F75 HydrophobicContact CG-CD1 4.28Å; L11-F75 HydrophobicContact CG-CE1 4.43Å; L11-C76 HydrophobicContact CD2-CB 4.22Å; L11-C76 WeakPolarHBondContact CD2-SG 3.21Å; L11-V95 HydrophobicContact CD2-CG1 4.29Å; L11-V95 HydrophobicContact CD2-CG2 4.23Å; L11-V95 HydrophobicContact CG-CG1 4.03Å; L11-V95 CarbonylContact O-C 3.55Å; L11-V95 WeakPolarHBondContact O-CA 3.43Å; L11-G96 PolarHBondContact O-N 3.07Å | ||
| 12 | A | 87.1 | Confident | 74 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | G96 C170 F171 | A12-G96 CarbonylContact C-O 3.52Å; A12-G96 VanDerWaalsContact CA-O 3.32Å; A12-G96 WeakPolarHBondContact CA-O 3.47Å; A12-C170 HydrophobicContact CB-CB 3.88Å; A12-F171 HydrophobicContact CB-CD1 3.99Å; A12-F171 HydrophobicContact CB-CD2 4.15Å; A12-F171 HydrophobicContact CB-CE1 3.91Å; A12-F171 HydrophobicContact CB-CE2 4.03Å; A12-F171 HydrophobicContact CB-CG 4.15Å; A12-F171 HydrophobicContact CB-CZ 3.93Å |
| 13 | I | 88.1 | Confident | 76.6 | Confident | 62 Ų | 62 | 57.9 Ų | 57.9 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.1 | 171.7 | -61.8 | 173.4 | 0 | 0 | 0 | 107.3 | V72 V95 G96 F97 G98 | I13-V72 HydrophobicContact CD1-CG1 3.49Å; I13-V72 VanDerWaalsContact CD1-CG1 3.49Å; I13-V95 HydrophobicContact CB-CG1 4.48Å; I13-V95 HydrophobicContact CD1-CG1 3.73Å; I13-V95 HydrophobicContact CG1-CG1 3.76Å; I13-G96 PolarHBondContact N-O 2.65Å; I13-F97 WeakPolarHBondContact O-CA 3.4Å; I13-F97 WeakPolarHBondContact O-CD2 3.43Å; I13-G98 PolarHBondContact O-N 2.88Å |
| 14 | V | 90.6 | Very high | 79.3 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 26% | 0.255 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 119.8 | -178.9 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | G98 I100 F166 L167 C170 | V14-G98 CarbonylContact C-O 3.54Å; V14-G98 VanDerWaalsContact CA-O 3.26Å; V14-G98 WeakPolarHBondContact CA-O 3.16Å; V14-I100 HydrophobicContact CG1-CD1 3.89Å; V14-I100 HydrophobicContact CG1-CG1 3.88Å; V14-F166 HydrophobicContact CG1-CE1 4.48Å; V14-L167 HydrophobicContact CB-CD2 4.01Å; V14-L167 HydrophobicContact CG1-CD2 3.8Å; V14-L167 HydrophobicContact CG2-CD2 3.67Å; V14-C170 HydrophobicContact CG2-CB 4.31Å |
| 15 | L | 91.1 | Very high | 81.6 | Confident | 65 Ų | 65 | 47.9 Ų | 47.9 | 34% | 0.34 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126 | 179.5 | -178.8 | 63.6 | 0 | 0 | 0 | 110.7 | V17 F97 G98 Q99 I100 | L15-V17 HydrophobicContact CD2-CG2 3.86Å; L15-V17 HydrophobicContact CG-CG2 3.78Å; L15-F97 HydrophobicContact CB-CE2 4.38Å; L15-F97 HydrophobicContact CB-CZ 4.48Å; L15-G98 PolarHBondContact N-O 3.27Å; L15-Q99 HydrophobicContact CB-CG 4.48Å; L15-Q99 CarbonylContact O-C 3.48Å; L15-Q99 WeakPolarHBondContact O-CA 3.34Å; L15-I100 PolarHBondContact O-N 3.46Å |
| 16 | M | 92.4 | Very high | 84.1 | Confident | 45 Ų | 45 | 46 Ų | 46 | 22% | 0.222 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119 | 174.7 | -58.6 | -68.5 | -68.4 | 0 | 0 | 110.3 | K24 L27 I100 V102 | M16-K24 HydrophobicContact CB-CB 4.41Å; M16-K24 HydrophobicContact CB-CD 4.24Å; M16-K24 HydrophobicContact CE-CB 4.49Å; M16-L27 HydrophobicContact CE-CB 4.19Å; M16-L27 HydrophobicContact CE-CD2 3.54Å; M16-L27 HydrophobicContact CE-CG 3.99Å; M16-I100 HydrophobicContact CE-CB 4.28Å; M16-I100 HydrophobicContact CE-CG2 4.11Å; M16-I100 HydrophobicContact SD-CB 3.62Å; M16-I100 HydrophobicContact SD-CD1 3.77Å; M16-I100 HydrophobicContact SD-CG1 4.12Å; M16-I100 HydrophobicContact SD-CG2 4.1Å; M16-V102 HydrophobicContact CE-CG2 4.26Å |
| 17 | V | 91.7 | Very high | 86.3 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 21% | 0.206 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.5 | -177.1 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | L15 Q99 I100 A101 V102 M134 | L15-V17 HydrophobicContact CD2-CG2 3.86Å; L15-V17 HydrophobicContact CG-CG2 3.78Å; V17-Q99 HydrophobicContact CG2-CG 4.03Å; V17-I100 PolarHBondContact N-O 2.95Å; V17-A101 CarbonylContact O-C 3.59Å; V17-A101 WeakPolarHBondContact O-CA 3.37Å; V17-V102 PolarHBondContact O-N 3.19Å; V17-M134 HydrophobicContact CG1-CE 3.74Å |
| 18 | G | 92.5 | Very high | 88.3 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | trans | 161.2 | 161.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K24 M134 | G18-K24 PolarHBondContact O-NZ 3.02Å; G18-M134 VanDerWaalsContact CA-CE 3.41Å | ||
| 19 | L | 93.4 | Very high | 89.3 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | trans | -63.2 | 157.1 | 176.6 | -63.5 | 176.6 | 0 | 0 | 0 | 112.6 | G21 A22 K24 V106 A109 M130 A131 M134 | L19-G21 PolarHBondContact O-N 3.48Å; L19-A22 HydrophobicContact CB-CB 4.44Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 3.24Å; L19-K24 PolarHBondContact O-NZ 2.94Å; L19-V106 HydrophobicContact CD1-CB 4.49Å; L19-A109 HydrophobicContact CB-CB 4.01Å; L19-A109 HydrophobicContact CD1-CB 4.01Å; L19-M130 HydrophobicContact CD2-CB 3.82Å; L19-A131 HydrophobicContact CD1-CB 3.96Å; L19-A131 HydrophobicContact CD2-CB 4.07Å; L19-M134 HydrophobicContact CD2-SD 3.81Å; L19-M134 HydrophobicContact CG-SD 4.2Å | ||
| 20 | P | 92.2 | Very high | 89.9 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 7% | 0.071 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 134.2 | 159.8 | -21.6 | 33.6 | 0 | 0 | 0 | 109.2 | A22 A109 V122 I127 M130 | P20-A22 VanDerWaalsContact C-N 3.31Å; P20-A22 PolarHBondContact O-N 2.68Å; P20-A109 WeakPolarHBondContact O-CB 3.35Å; P20-V122 HydrophobicContact CB-CB 4.03Å; P20-V122 HydrophobicContact CB-CG1 4.42Å; P20-V122 HydrophobicContact CB-CG2 3.91Å; P20-V122 HydrophobicContact CG-CB 4.25Å; P20-V122 HydrophobicContact CG-CG1 4.12Å; P20-V122 HydrophobicContact CG-CG2 4.12Å; P20-I127 HydrophobicContact CB-CD1 4.17Å; P20-I127 HydrophobicContact CB-CG1 4.03Å; P20-I127 HydrophobicContact CG-CG1 4.11Å; P20-M130 VanDerWaalsContact CD-SD 3.57Å; P20-M130 HydrophobicContact CG-CE 4.21Å; P20-M130 HydrophobicContact CG-SD 3.62Å |
| 21 | G | 90.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 6% | 0.062 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -3.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L19 G23 R112 R116 | L19-G21 PolarHBondContact O-N 3.48Å; G21-G23 PolarHBondContact O-N 3.02Å; G21-R112 WeakPolarHBondContact O-CB 3.36Å; G21-R112 WeakPolarHBondContact O-CD 3.3Å; G21-R116 VanDerWaalsContact N-NH2 3.15Å |
| 22 | A | 92.1 | Very high | 90.9 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -65.5 | -22.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L19 P20 V102 T104 R112 | L19-A22 HydrophobicContact CB-CB 4.44Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 3.24Å; P20-A22 VanDerWaalsContact C-N 3.31Å; P20-A22 PolarHBondContact O-N 2.68Å; A22-V102 HydrophobicContact CB-CB 4.3Å; A22-V102 HydrophobicContact CB-CG1 4.04Å; A22-V102 WeakPolarHBondContact O-CG1 3.26Å; A22-T104 PolarHBondContact O-OG1 3.42Å; A22-R112 PolarHBondContact O-NH1 3.46Å |
| 23 | G | 90.1 | Very high | 91 | Very high | 25 Ų | 25 | 41.7 Ų | 41.7 | 26% | 0.258 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 105.7 | 10.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G21 T25 F26 L27 | G21-G23 PolarHBondContact O-N 3.02Å; G23-T25 PolarHBondContact O-N 3.39Å; G23-F26 WeakPolarHBondContact O-CB 3.22Å; G23-F26 PolarHBondContact O-N 3.26Å; G23-F26 VanDerWaalsContact O-N 3.17Å; G23-L27 PolarHBondContact O-N 3.18Å |
| 24 | K | 92.3 | Very high | 91 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 20% | 0.2 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -50.7 | -54.7 | 178.8 | -57.1 | -175.2 | -62 | -77 | 0 | 113.1 | M16 G18 L19 F26 L27 C28 V102 | M16-K24 HydrophobicContact CB-CB 4.41Å; M16-K24 HydrophobicContact CB-CD 4.24Å; M16-K24 HydrophobicContact CE-CB 4.49Å; G18-K24 PolarHBondContact O-NZ 3.02Å; L19-K24 PolarHBondContact O-NZ 2.94Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.41Å; K24-L27 PolarHBondContact O-N 2.6Å; K24-L27 VanDerWaalsContact O-N 3.16Å; K24-C28 PolarHBondContact O-N 2.68Å; K24-C28 PolarHBondContact O-SG 3.12Å; K24-V102 HydrophobicContact CG-CB 4.42Å; K24-V102 HydrophobicContact CG-CG2 4.14Å |
| 25 | T | 88.8 | Confident | 90.9 | Very high | 36 Ų | 36 | 39 Ų | 39 | 22% | 0.221 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.7 | -37.5 | -179.7 | -46.8 | 0 | 0 | 0 | 0 | 112.4 | G23 C28 R29 | G23-T25 PolarHBondContact O-N 3.39Å; T25-C28 PolarHBondContact O-N 2.71Å; T25-R29 WeakPolarHBondContact O-CG 3.42Å; T25-R29 PolarHBondContact O-N 3.23Å; T25-R29 VanDerWaalsContact O-N 3.08Å |
| 26 | F | 89.3 | Confident | 90.7 | Very high | 128 Ų | 128 | 42.1 Ų | 42.1 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -63.5 | -46.8 | 175.2 | 169.2 | -98.4 | 0 | 0 | 0 | 110.9 | G23 K24 R29 K30 F160 | G23-F26 WeakPolarHBondContact O-CB 3.22Å; G23-F26 PolarHBondContact O-N 3.26Å; G23-F26 VanDerWaalsContact O-N 3.17Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.41Å; F26-R29 PolarHBondContact O-N 3.19Å; F26-K30 WeakPolarHBondContact O-CB 3.43Å; F26-K30 PolarHBondContact O-N 3.31Å; F26-F160 HydrophobicContact CE1-CE1 4.32Å; F26-F160 AromaticContact CE1-CZ 3.88Å; F26-F160 HydrophobicContact CE1-CZ 3.88Å; F26-F160 HydrophobicContact CZ-CZ 4.31Å |
| 27 | L | 91.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -45 | 175.7 | 179.1 | 57.7 | 0 | 0 | 0 | 111.8 | M16 G23 K24 R29 K30 M31 I100 V102 L151 L154 F160 V163 | M16-L27 HydrophobicContact CE-CB 4.19Å; M16-L27 HydrophobicContact CE-CD2 3.54Å; M16-L27 HydrophobicContact CE-CG 3.99Å; G23-L27 PolarHBondContact O-N 3.18Å; K24-L27 PolarHBondContact O-N 2.6Å; K24-L27 VanDerWaalsContact O-N 3.16Å; L27-R29 PolarHBondContact O-N 3.1Å; L27-K30 PolarHBondContact O-N 3.23Å; L27-M31 HydrophobicContact CD1-CE 3.87Å; L27-M31 HydrophobicContact CD1-CG 4.14Å; L27-M31 HydrophobicContact CG-CG 4.5Å; L27-M31 WeakPolarHBondContact O-CG 3.46Å; L27-M31 PolarHBondContact O-N 2.77Å; L27-I100 HydrophobicContact CD2-CG2 4.22Å; L27-V102 HydrophobicContact CD2-CG2 4.43Å; L27-L151 HydrophobicContact CD2-CD1 3.43Å; L27-L151 VanDerWaalsContact CD2-CD1 3.43Å; L27-L154 HydrophobicContact CB-CD1 4.34Å; L27-L154 HydrophobicContact CD1-CD1 4.21Å; L27-L154 HydrophobicContact CD1-CD2 4.22Å; L27-L154 HydrophobicContact CD2-CD1 3.88Å; L27-L154 HydrophobicContact CG-CD1 4.37Å; L27-F160 HydrophobicContact CD1-CD1 3.88Å; L27-F160 HydrophobicContact CD1-CE1 3.87Å; L27-V163 HydrophobicContact CD1-CG1 4.22Å; L27-V163 HydrophobicContact CD1-CG2 4.23Å; L27-V163 HydrophobicContact CD2-CG1 4.46Å; L27-V163 HydrophobicContact CD2-CG2 4.35Å |
| 28 | C | 92 | Very high | 89.7 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57 | -47.8 | 177.4 | -67 | 0 | 0 | 0 | 0 | 112.2 | K24 T25 M31 V32 H48 | K24-C28 PolarHBondContact O-N 2.68Å; K24-C28 PolarHBondContact O-SG 3.12Å; T25-C28 PolarHBondContact O-N 2.71Å; C28-M31 PolarHBondContact O-N 3.5Å; C28-V32 WeakPolarHBondContact O-CG2 2.91Å; C28-V32 PolarHBondContact O-N 3.26Å; C28-H48 HydrophobicContact CB-CB 4.38Å; C28-H48 WeakPolarHBondContact CB-CD2 3.49Å; C28-H48 PolarHBondContact SG-CD2 2.82Å |
| 29 | R | 89.9 | Confident | 88.7 | Confident | 155 Ų | 155 | 54.9 Ų | 54.9 | 59% | 0.585 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 178.5 | -71.6 | 176.6 | -174.8 | 153.9 | 2.2 | 111.5 | T25 F26 L27 M31 V32 D33 | T25-R29 WeakPolarHBondContact O-CG 3.42Å; T25-R29 PolarHBondContact O-N 3.23Å; T25-R29 VanDerWaalsContact O-N 3.08Å; F26-R29 PolarHBondContact O-N 3.19Å; L27-R29 PolarHBondContact O-N 3.1Å; R29-M31 VanDerWaalsContact C-N 3.28Å; R29-M31 PolarHBondContact O-N 3.39Å; R29-V32 WeakPolarHBondContact O-CB 3.48Å; R29-V32 PolarHBondContact O-N 2.88Å; R29-V32 VanDerWaalsContact O-N 3.17Å; R29-D33 PolarHBondContact O-N 3.08Å |
| 30 | K | 89.9 | Confident | 87.4 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 32% | 0.317 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 177.4 | -170.6 | 64.9 | 173.1 | -174.7 | 0 | 112.2 | F26 L27 D33 I34 F160 | F26-K30 WeakPolarHBondContact O-CB 3.43Å; F26-K30 PolarHBondContact O-N 3.31Å; L27-K30 PolarHBondContact O-N 3.23Å; K30-D33 PolarHBondContact O-N 3.04Å; K30-I34 HydrophobicContact CG-CD1 4.04Å; K30-I34 WeakPolarHBondContact O-CB 3.45Å; K30-I34 VanDerWaalsContact O-CG1 3.26Å; K30-I34 WeakPolarHBondContact O-CG1 3.46Å; K30-I34 PolarHBondContact O-N 3.48Å; K30-F160 HydrophobicContact CB-CD1 4.43Å; K30-F160 HydrophobicContact CB-CE1 4.05Å; K30-F160 HydrophobicContact CG-CD1 3.73Å; K30-F160 HydrophobicContact CG-CE1 3.57Å; K30-F160 HydrophobicContact CG-CE2 4.44Å; K30-F160 HydrophobicContact CG-CG 4.25Å; K30-F160 HydrophobicContact CG-CZ 3.95Å |
| 31 | M | 91.2 | Very high | 85.5 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67 | -42.6 | 174.5 | -72.2 | -58.7 | 112.2 | 0 | 0 | 112.1 | L27 C28 R29 D33 I34 F35 F160 V163 L167 | L27-M31 HydrophobicContact CD1-CE 3.87Å; L27-M31 HydrophobicContact CD1-CG 4.14Å; L27-M31 HydrophobicContact CG-CG 4.5Å; L27-M31 WeakPolarHBondContact O-CG 3.46Å; L27-M31 PolarHBondContact O-N 2.77Å; C28-M31 PolarHBondContact O-N 3.5Å; R29-M31 VanDerWaalsContact C-N 3.28Å; R29-M31 PolarHBondContact O-N 3.39Å; M31-D33 VanDerWaalsContact C-N 3.32Å; M31-D33 PolarHBondContact O-N 2.83Å; M31-I34 HydrophobicContact CE-CD1 3.55Å; M31-I34 PolarHBondContact O-N 2.77Å; M31-F35 VanDerWaalsContact O-CD2 3.29Å; M31-F35 WeakPolarHBondContact O-CD2 3.35Å; M31-F35 PolarHBondContact O-N 3.2Å; M31-F35 HydrophobicContact SD-CE2 4.49Å; M31-F160 HydrophobicContact CE-CB 3.92Å; M31-F160 HydrophobicContact CE-CD1 3.58Å; M31-F160 HydrophobicContact CE-CG 4.2Å; M31-V163 HydrophobicContact CE-CB 4.05Å; M31-V163 HydrophobicContact CE-CG1 4.08Å; M31-V163 HydrophobicContact CG-CG1 3.89Å; M31-V163 HydrophobicContact SD-CB 3.97Å; M31-V163 HydrophobicContact SD-CG1 3.52Å; M31-V163 VanDerWaalsContact SD-CG1 3.52Å; M31-L167 HydrophobicContact CB-CD1 4.2Å; M31-L167 HydrophobicContact CG-CD1 3.84Å; M31-L167 HydrophobicContact SD-CD1 3.84Å |
| 32 | V | 91.1 | Very high | 84.2 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 16% | 0.164 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.1 | -50.6 | 172.2 | 172.7 | 0 | 0 | 0 | 0 | 110 | C28 R29 I34 F35 E36 V46 H48 | C28-V32 WeakPolarHBondContact O-CG2 2.91Å; C28-V32 PolarHBondContact O-N 3.26Å; R29-V32 WeakPolarHBondContact O-CB 3.48Å; R29-V32 PolarHBondContact O-N 2.88Å; R29-V32 VanDerWaalsContact O-N 3.17Å; V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.18Å; V32-F35 PolarHBondContact O-N 2.67Å; V32-E36 HydrophobicContact CG1-CG 4.12Å; V32-E36 WeakPolarHBondContact CG1-OE1 3.38Å; V32-E36 WeakPolarHBondContact O-CB 3.44Å; V32-E36 WeakPolarHBondContact O-CG 3.38Å; V32-E36 PolarHBondContact O-N 3.36Å; V32-V46 HydrophobicContact CG2-CB 4.08Å; V32-V46 HydrophobicContact CG2-CG1 3.7Å; V32-H48 HydrophobicContact CG2-CB 4.41Å |
| 33 | D | 89.8 | Confident | 83.3 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 39% | 0.39 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 179.5 | -63 | -20.3 | 0 | 0 | 0 | 113 | R29 K30 M31 K37 | R29-D33 PolarHBondContact O-N 3.08Å; K30-D33 PolarHBondContact O-N 3.04Å; M31-D33 VanDerWaalsContact C-N 3.32Å; M31-D33 PolarHBondContact O-N 2.83Å; D33-K37 WeakPolarHBondContact O-CB 3.41Å; D33-K37 WeakPolarHBondContact O-CD 3.29Å; D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.21Å; D33-K37 PolarHBondContact O-N 3.25Å |
| 34 | I | 88.4 | Confident | 82.9 | Confident | 43 Ų | 43 | 77.7 Ų | 77.7 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 180 | -75.5 | 166 | 0 | 0 | 0 | 110.5 | K30 M31 V32 K37 D38 F160 R164 | K30-I34 HydrophobicContact CG-CD1 4.04Å; K30-I34 WeakPolarHBondContact O-CB 3.45Å; K30-I34 VanDerWaalsContact O-CG1 3.26Å; K30-I34 WeakPolarHBondContact O-CG1 3.46Å; K30-I34 PolarHBondContact O-N 3.48Å; M31-I34 HydrophobicContact CE-CD1 3.55Å; M31-I34 PolarHBondContact O-N 2.77Å; V32-I34 VanDerWaalsContact C-N 3.32Å; V32-I34 PolarHBondContact O-N 3.18Å; I34-K37 PolarHBondContact O-N 2.93Å; I34-D38 PolarHBondContact O-N 3.11Å; I34-F160 HydrophobicContact CD1-CB 3.84Å; I34-F160 HydrophobicContact CD1-CG 4.36Å; I34-R164 HydrophobicContact CG2-CG 4.44Å |
| 35 | F | 88.5 | Confident | 82.5 | Confident | 5 Ų | 5 | 85.3 Ų | 85.3 | 2% | 0.022 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74.8 | -27.6 | -179.4 | -82.1 | -77.2 | 0 | 0 | 0 | 113.3 | M31 V32 K37 D38 V44 V46 R164 L167 I168 | M31-F35 VanDerWaalsContact O-CD2 3.29Å; M31-F35 WeakPolarHBondContact O-CD2 3.35Å; M31-F35 PolarHBondContact O-N 3.2Å; M31-F35 HydrophobicContact SD-CE2 4.49Å; V32-F35 PolarHBondContact O-N 2.67Å; F35-K37 VanDerWaalsContact C-N 3.34Å; F35-D38 PolarHBondContact O-N 3.01Å; F35-V44 HydrophobicContact CD1-CB 3.61Å; F35-V44 HydrophobicContact CD1-CG1 3.96Å; F35-V44 HydrophobicContact CD1-CG2 4.43Å; F35-V44 HydrophobicContact CE1-CB 3.67Å; F35-V44 HydrophobicContact CE1-CG1 3.88Å; F35-V44 HydrophobicContact CE1-CG2 4.08Å; F35-V44 HydrophobicContact CZ-CG1 4.47Å; F35-V46 HydrophobicContact CB-CG2 3.63Å; F35-V46 HydrophobicContact CD1-CG2 4.43Å; F35-V46 HydrophobicContact CD2-CG2 3.42Å; F35-V46 VanDerWaalsContact CD2-CG2 3.42Å; F35-V46 HydrophobicContact CE2-CG2 4.15Å; F35-V46 HydrophobicContact CG-CG2 3.58Å; F35-R164 HydrophobicContact CE1-CG 4.17Å; F35-R164 HydrophobicContact CE2-CB 4.48Å; F35-R164 HydrophobicContact CE2-CG 4.03Å; F35-R164 HydrophobicContact CZ-CB 4.45Å; F35-R164 HydrophobicContact CZ-CG 3.66Å; F35-L167 HydrophobicContact CE2-CB 4.18Å; F35-L167 HydrophobicContact CE2-CD1 3.71Å; F35-L167 HydrophobicContact CZ-CB 4.06Å; F35-L167 HydrophobicContact CZ-CD1 4.44Å; F35-I168 HydrophobicContact CE1-CD1 4.32Å; F35-I168 HydrophobicContact CE1-CG1 4.07Å; F35-I168 HydrophobicContact CZ-CG1 4.1Å |
| 36 | E | 86.8 | Confident | 82.5 | Confident | 129 Ų | 129 | 85.7 Ų | 85.7 | 60% | 0.603 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.3 | -33.5 | 173.7 | -79.2 | -176.7 | 172.2 | 0 | 0 | 112.6 | V32 D38 | V32-E36 HydrophobicContact CG1-CG 4.12Å; V32-E36 WeakPolarHBondContact CG1-OE1 3.38Å; V32-E36 WeakPolarHBondContact O-CB 3.44Å; V32-E36 WeakPolarHBondContact O-CG 3.38Å; V32-E36 PolarHBondContact O-N 3.36Å; E36-D38 VanDerWaalsContact C-N 3.33Å |
| 37 | K | 85 | Confident | 82.3 | Confident | 167 Ų | 167 | 83.9 Ų | 83.9 | 73% | 0.726 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -86.1 | -3.8 | 176.8 | -67.4 | 174.3 | -176.1 | 177.1 | 0 | 113.7 | D33 I34 F35 D39 | D33-K37 WeakPolarHBondContact O-CB 3.41Å; D33-K37 WeakPolarHBondContact O-CD 3.29Å; D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.21Å; D33-K37 PolarHBondContact O-N 3.25Å; I34-K37 PolarHBondContact O-N 2.93Å; F35-K37 VanDerWaalsContact C-N 3.34Å; K37-D39 PolarHBondContact O-N 3.12Å |
| 38 | D | 78.2 | Confident | 82.1 | Confident | 31 Ų | 31 | 87.1 Ų | 87.1 | 17% | 0.166 | 42% | 0.415 | C | S | . | . | trans | -82.9 | 105.2 | -179.3 | -163.8 | -21.9 | 0 | 0 | 0 | 109.9 | I34 F35 E36 S40 R164 | I34-D38 PolarHBondContact O-N 3.11Å; F35-D38 PolarHBondContact O-N 3.01Å; E36-D38 VanDerWaalsContact C-N 3.33Å; D38-S40 VanDerWaalsContact C-N 3.26Å; D38-S40 VanDerWaalsContact CG-OG 3.32Å; D38-S40 PolarHBondContact O-N 2.94Å; D38-S40 WeakPolarHBondContact OD1-CB 3.03Å; D38-S40 PolarHBondContact OD1-N 3.46Å; D38-S40 PolarHBondContact OD1-OG 3.41Å; D38-R164 IonicContact OD2-CZ 3.26Å; D38-R164 VanDerWaalsContact OD2-CZ 3.26Å; D38-R164 IonicContact OD2-NE 3.01Å; D38-R164 PolarHBondContact OD2-NE 3.42Å; D38-R164 IonicContact OD2-NH2 2.67Å; D38-R164 PolarHBondContact OD2-NH2 3.04Å | ||
| 39 | D | 70.8 | Confident | 81.8 | Confident | 157 Ų | 157 | 90 Ų | 90 | 84% | 0.84 | 43% | 0.432 | S | S | * | . | trans | -84.7 | 7.3 | 177.5 | -71 | -36.9 | 0 | 0 | 0 | 113.1 | K37 | K37-D39 PolarHBondContact O-N 3.12Š| ||
| 40 | S | 65.6 | Low | 81.5 | Confident | 55 Ų | 55 | 83.4 Ų | 83.4 | 39% | 0.385 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -64 | 153.3 | 177.1 | 64 | 0 | 0 | 0 | 0 | 112.3 | D38 E42 | D38-S40 VanDerWaalsContact C-N 3.26Å; D38-S40 VanDerWaalsContact CG-OG 3.32Å; D38-S40 PolarHBondContact O-N 2.94Å; D38-S40 WeakPolarHBondContact OD1-CB 3.03Å; D38-S40 PolarHBondContact OD1-N 3.46Å; D38-S40 PolarHBondContact OD1-OG 3.41Å; S40-E42 PolarHBondContact O-N 2.97Å |
| 41 | I | 53.4 | Low | 80.9 | Confident | 179 Ų | 179 | 85.3 Ų | 85.3 | 92% | 0.918 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -55.6 | -27.8 | -170.1 | -69.7 | 158 | 0 | 0 | 0 | 113 | K43 | I41-K43 PolarHBondContact O-N 3.48Š|
| 42 | E | 63.2 | Low | 80.2 | Confident | 119 Ų | 119 | 90.3 Ų | 90.3 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -98 | 76.2 | 176.2 | -64.1 | -170.7 | 171.6 | 0 | 0 | 110.6 | S40 V44 | S40-E42 PolarHBondContact O-N 2.97Å; E42-V44 PolarHBondContact O-N 3.41Å |
| 43 | K | 73.3 | Confident | 79.5 | Confident | 156 Ų | 156 | 94.5 Ų | 94.5 | 68% | 0.678 | 46% | 0.463 | S | S | * | . | trans | -63.6 | 97.8 | 177.1 | -170.9 | 168.5 | -172.6 | 160.9 | 0 | 110.7 | I41 R45 | I41-K43 PolarHBondContact O-N 3.48Å; K43-R45 PolarHBondContact O-N 2.87Å | ||
| 44 | V | 82 | Confident | 78.8 | Confident | 29 Ų | 29 | 94.4 Ų | 94.4 | 18% | 0.176 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 119.8 | 172.1 | 174.4 | 0 | 0 | 0 | 0 | 108.6 | F35 E42 V46 F171 | F35-V44 HydrophobicContact CD1-CB 3.61Å; F35-V44 HydrophobicContact CD1-CG1 3.96Å; F35-V44 HydrophobicContact CD1-CG2 4.43Å; F35-V44 HydrophobicContact CE1-CB 3.67Å; F35-V44 HydrophobicContact CE1-CG1 3.88Å; F35-V44 HydrophobicContact CE1-CG2 4.08Å; F35-V44 HydrophobicContact CZ-CG1 4.47Å; E42-V44 PolarHBondContact O-N 3.41Å; V44-V46 HydrophobicContact CG1-CG2 4.38Å; V44-F171 HydrophobicContact CG1-CE2 3.92Å; V44-F171 HydrophobicContact CG1-CZ 4.05Å; V44-F171 HydrophobicContact CG2-CE2 4.28Å |
| 45 | R | 84.5 | Confident | 78.1 | Confident | 206 Ų | 206 | 93.8 Ų | 93.8 | 78% | 0.777 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 119.3 | 172.2 | -174.3 | 179.6 | -179.3 | -174.4 | 0.6 | 109.9 | K43 | K43-R45 PolarHBondContact O-N 2.87Š|
| 46 | V | 87.8 | Confident | 77.2 | Confident | 44 Ų | 44 | 102.2 Ų | 102.2 | 27% | 0.267 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 130.3 | 175.3 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | V32 F35 V44 | V32-V46 HydrophobicContact CG2-CB 4.08Å; V32-V46 HydrophobicContact CG2-CG1 3.7Å; F35-V46 HydrophobicContact CB-CG2 3.63Å; F35-V46 HydrophobicContact CD1-CG2 4.43Å; F35-V46 HydrophobicContact CD2-CG2 3.42Å; F35-V46 VanDerWaalsContact CD2-CG2 3.42Å; F35-V46 HydrophobicContact CE2-CG2 4.15Å; F35-V46 HydrophobicContact CG-CG2 3.58Å; V44-V46 HydrophobicContact CG1-CG2 4.38Å |
| 47 | I | 85.3 | Confident | 76.5 | Confident | 89 Ų | 89 | 98.8 Ų | 98.8 | 46% | 0.456 | 48% | 0.484 | S | S | . | . | trans | -119.4 | 114 | 173.2 | -60.3 | 174.1 | 0 | 0 | 0 | 107.4 | V49 F75 | I47-V49 HydrophobicContact CG2-CG2 4.26Å; I47-F75 HydrophobicContact CD1-CE1 4.47Å; I47-F75 HydrophobicContact CD1-CE2 4.03Å; I47-F75 HydrophobicContact CD1-CZ 3.76Å | ||
| 48 | H | 88.3 | Confident | 75.7 | Confident | 69 Ų | 69 | 99.8 Ų | 99.8 | 32% | 0.319 | 48% | 0.484 | S | S | . | . | trans | -86.8 | 120.5 | 175.2 | 173.2 | -128.8 | 0 | 0 | 0 | 110.4 | C28 V32 | C28-H48 HydrophobicContact CB-CB 4.38Å; C28-H48 WeakPolarHBondContact CB-CD2 3.49Å; C28-H48 PolarHBondContact SG-CD2 2.82Å; V32-H48 HydrophobicContact CG2-CB 4.41Å | ||
| 49 | V | 84.1 | Confident | 75.3 | Confident | 77 Ų | 77 | 107.1 Ų | 107.1 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | trans | -108.5 | 104.8 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | I47 I54 | I47-V49 HydrophobicContact CG2-CG2 4.26Å; V49-I54 HydrophobicContact CG1-CD1 3.49Å; V49-I54 VanDerWaalsContact CG1-CD1 3.49Å | ||
| 50 | C | 84.2 | Confident | 75.3 | Confident | 17 Ų | 17 | 104.4 Ų | 104.4 | 12% | 0.115 | 49% | 0.491 | C | S | . | . | trans | -91.5 | 115.1 | 178.7 | -170.6 | 0 | 0 | 0 | 0 | 110.2 | D52 D53 I54 | C50-D52 VanDerWaalsContact C-N 3.27Å; C50-D52 PolarHBondContact O-N 2.83Å; C50-D53 HydrophobicContact CB-CB 4.04Å; C50-D53 WeakPolarHBondContact CB-OD2 3.39Å; C50-D53 PolarHBondContact O-N 2.76Å; C50-I54 WeakPolarHBondContact O-CG1 3.42Å; C50-I54 PolarHBondContact O-N 2.9Å | ||
| 51 | Y | 78 | Confident | 75.6 | Confident | 113 Ų | 113 | 107.1 Ų | 107.1 | 44% | 0.443 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 179.1 | -80.9 | -86.5 | 0 | 0 | 0 | 113 | D53 I54 I55 I68 | Y51-D53 PolarHBondContact O-N 3.2Å; Y51-I54 PolarHBondContact O-N 3.42Å; Y51-I55 HydrophobicContact CD1-CD1 3.9Å; Y51-I55 WeakPolarHBondContact O-CB 3.15Å; Y51-I55 PolarHBondContact O-N 2.84Å; Y51-I68 HydrophobicContact CD1-CD1 3.68Å; Y51-I68 HydrophobicContact CE1-CD1 3.41Å; Y51-I68 VanDerWaalsContact CE1-CD1 3.41Å |
| 52 | D | 75.4 | Confident | 76.6 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 59% | 0.594 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.6 | -26.4 | -179.8 | -59.5 | -21.2 | 0 | 0 | 0 | 111.9 | C50 | C50-D52 VanDerWaalsContact C-N 3.27Å; C50-D52 PolarHBondContact O-N 2.83Å |
| 53 | D | 77.5 | Confident | 77.2 | Confident | 115 Ų | 115 | 107.8 Ų | 107.8 | 62% | 0.615 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -81.8 | -27 | 178.6 | -61.4 | -21.3 | 0 | 0 | 0 | 111.9 | C50 Y51 | C50-D53 HydrophobicContact CB-CB 4.04Å; C50-D53 WeakPolarHBondContact CB-OD2 3.39Å; C50-D53 PolarHBondContact O-N 2.76Å; Y51-D53 PolarHBondContact O-N 3.2Å |
| 54 | I | 74.3 | Confident | 77.3 | Confident | 71 Ų | 71 | 101 Ų | 101 | 36% | 0.364 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -90.3 | -45.6 | -178.7 | -56.1 | 172.4 | 0 | 0 | 0 | 110.8 | V49 C50 Y51 Q56 V64 I68 | V49-I54 HydrophobicContact CG1-CD1 3.49Å; V49-I54 VanDerWaalsContact CG1-CD1 3.49Å; C50-I54 WeakPolarHBondContact O-CG1 3.42Å; C50-I54 PolarHBondContact O-N 2.9Å; Y51-I54 PolarHBondContact O-N 3.42Å; I54-Q56 PolarHBondContact O-N 2.7Å; I54-Q56 VanDerWaalsContact O-N 3.15Å; I54-V64 HydrophobicContact CB-CG1 4.46Å; I54-V64 HydrophobicContact CG2-CG1 3.52Å; I54-I68 HydrophobicContact CD1-CD1 4.25Å; I54-I68 HydrophobicContact CD1-CG1 4.38Å; I54-I68 HydrophobicContact CG2-CD1 4.38Å |
| 55 | I | 73.4 | Confident | 77.1 | Confident | 31 Ų | 31 | 107.9 Ų | 107.9 | 16% | 0.159 | 49% | 0.486 | C | S | . | . | trans | -87.2 | 84.7 | -179.6 | -56.3 | 163.6 | 0 | 0 | 0 | 108.7 | Y51 Q61 V64 | Y51-I55 HydrophobicContact CD1-CD1 3.9Å; Y51-I55 WeakPolarHBondContact O-CB 3.15Å; Y51-I55 PolarHBondContact O-N 2.84Å; I55-Q61 HydrophobicContact CD1-CG 3.97Å; I55-Q61 HydrophobicContact CG2-CB 4.42Å; I55-V64 HydrophobicContact CD1-CG1 4.38Å; I55-V64 HydrophobicContact CG1-CB 4.01Å; I55-V64 HydrophobicContact CG1-CG1 3.47Å; I55-V64 VanDerWaalsContact CG1-CG1 3.47Å; I55-V64 HydrophobicContact CG1-CG2 4.4Å | ||
| 56 | Q | 69.4 | Low | 76.8 | Confident | 181 Ų | 181 | 104.4 Ų | 104.4 | 85% | 0.846 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -75.6 | -29.7 | 174.3 | -62.1 | -177.1 | 2.7 | 0 | 0 | 112.1 | I54 | I54-Q56 PolarHBondContact O-N 2.7Å; I54-Q56 VanDerWaalsContact O-N 3.15Å |
| 57 | N | 72.4 | Confident | 76.2 | Confident | 57 Ų | 57 | 108.1 Ų | 108.1 | 31% | 0.305 | 49% | 0.49 | S | S | . | . | trans | -123.5 | 110.8 | 176.5 | -176.6 | 2 | 0 | 0 | 0 | 110.4 | R59 E60 | N57-R59 PolarHBondContact O-N 2.84Å; N57-R59 VanDerWaalsContact O-N 3.09Å; N57-R59 WeakPolarHBondContact OD1-CB 3.32Å; N57-R59 PolarHBondContact OD1-N 3.44Å; N57-R59 VanDerWaalsContact OD1-N 3.12Å; N57-E60 HydrophobicContact CB-CG 4.47Å; N57-E60 PolarHBondContact ND2-OE1 3.34Å; N57-E60 PolarHBondContact O-N 3.47Å | ||
| 58 | W | 68.3 | Low | 75.9 | Confident | 188 Ų | 188 | 104.8 Ų | 104.8 | 71% | 0.712 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -62 | -20.6 | -178.8 | 65.8 | -95.7 | 0 | 0 | 0 | 113.5 | E60 Q61 | W58-E60 PolarHBondContact O-N 3.36Å; W58-Q61 VanDerWaalsContact O-CB 3.23Å; W58-Q61 WeakPolarHBondContact O-CB 3.33Å; W58-Q61 PolarHBondContact O-N 3.16Å |
| 59 | R | 69.3 | Low | 75.4 | Confident | 185 Ų | 185 | 105.5 Ų | 105.5 | 70% | 0.698 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -65.7 | -25.7 | 175 | -63.4 | -178.2 | 176.5 | -179.3 | -0.3 | 112.3 | N57 | N57-R59 PolarHBondContact O-N 2.84Å; N57-R59 VanDerWaalsContact O-N 3.09Å; N57-R59 WeakPolarHBondContact OD1-CB 3.32Å; N57-R59 PolarHBondContact OD1-N 3.44Å; N57-R59 VanDerWaalsContact OD1-N 3.12Å |
| 60 | E | 71.3 | Confident | 75.1 | Confident | 100 Ų | 100 | 107.3 Ų | 107.3 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -94.1 | 4.2 | 179.9 | -68.3 | 161.4 | -147.7 | 0 | 0 | 112.5 | N57 W58 R62 D63 V64 | N57-E60 HydrophobicContact CB-CG 4.47Å; N57-E60 PolarHBondContact ND2-OE1 3.34Å; N57-E60 PolarHBondContact O-N 3.47Å; W58-E60 PolarHBondContact O-N 3.36Å; E60-R62 PolarHBondContact O-N 3.47Å; E60-D63 PolarHBondContact O-N 2.99Å; E60-V64 HydrophobicContact CB-CG2 4.34Å; E60-V64 WeakPolarHBondContact O-CG2 3.36Å; E60-V64 PolarHBondContact O-N 3.39Å |
| 61 | Q | 71.8 | Confident | 74.6 | Confident | 113 Ų | 113 | 110.1 Ų | 110.1 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54.3 | -30.3 | -174.6 | -177 | 178.3 | 38.8 | 0 | 0 | 113.4 | I55 W58 R65 | I55-Q61 HydrophobicContact CD1-CG 3.97Å; I55-Q61 HydrophobicContact CG2-CB 4.42Å; W58-Q61 VanDerWaalsContact O-CB 3.23Å; W58-Q61 WeakPolarHBondContact O-CB 3.33Å; W58-Q61 PolarHBondContact O-N 3.16Å; Q61-R65 WeakPolarHBondContact O-CB 3.5Å; Q61-R65 PolarHBondContact O-N 3.05Å |
| 62 | R | 74.9 | Confident | 74.6 | Confident | 216 Ų | 216 | 107.2 Ų | 107.2 | 82% | 0.815 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66 | -42.8 | 176.3 | -72.9 | -174.1 | 178.1 | -177.4 | 1.2 | 112.4 | E60 K66 | E60-R62 PolarHBondContact O-N 3.47Å; R62-K66 PolarHBondContact O-N 3.17Å |
| 63 | D | 75.4 | Confident | 74.6 | Confident | 95 Ų | 95 | 109.2 Ų | 109.2 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -78.2 | -40.1 | -178.6 | -63.9 | -40.1 | 0 | 0 | 0 | 110.4 | E60 R65 K66 E67 | E60-D63 PolarHBondContact O-N 2.99Å; D63-R65 VanDerWaalsContact C-N 3.28Å; D63-R65 PolarHBondContact O-N 3.34Å; D63-K66 WeakPolarHBondContact O-CB 3.26Å; D63-K66 PolarHBondContact O-N 2.93Å; D63-K66 IonicContact OD1-NZ 3.4Å; D63-K66 PolarHBondContact OD1-NZ 2.97Å; D63-E67 PolarHBondContact O-N 3.48Å |
| 64 | V | 74.6 | Confident | 74.6 | Confident | 14 Ų | 14 | 111.6 Ų | 111.6 | 9% | 0.085 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 170.9 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | I54 I55 E60 K66 E67 I68 | I54-V64 HydrophobicContact CB-CG1 4.46Å; I54-V64 HydrophobicContact CG2-CG1 3.52Å; I55-V64 HydrophobicContact CD1-CG1 4.38Å; I55-V64 HydrophobicContact CG1-CB 4.01Å; I55-V64 HydrophobicContact CG1-CG1 3.47Å; I55-V64 VanDerWaalsContact CG1-CG1 3.47Å; I55-V64 HydrophobicContact CG1-CG2 4.4Å; E60-V64 HydrophobicContact CB-CG2 4.34Å; E60-V64 WeakPolarHBondContact O-CG2 3.36Å; E60-V64 PolarHBondContact O-N 3.39Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 3.4Å; V64-E67 PolarHBondContact O-N 3.32Å; V64-I68 HydrophobicContact CG1-CD1 3.86Å; V64-I68 HydrophobicContact CG1-CG1 4.26Å; V64-I68 VanDerWaalsContact O-CG1 3.3Å; V64-I68 WeakPolarHBondContact O-CG1 3.2Å; V64-I68 PolarHBondContact O-N 3.26Å |
| 65 | R | 78.2 | Confident | 74.6 | Confident | 174 Ų | 174 | 112.7 Ų | 112.7 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 175.1 | -178.7 | 177.9 | 178.1 | 177.3 | 1 | 111.9 | Q61 D63 E67 L69 | Q61-R65 WeakPolarHBondContact O-CB 3.5Å; Q61-R65 PolarHBondContact O-N 3.05Å; D63-R65 VanDerWaalsContact C-N 3.28Å; D63-R65 PolarHBondContact O-N 3.34Å; R65-E67 VanDerWaalsContact C-N 3.35Å; R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CB 3.15Å; R65-L69 VanDerWaalsContact O-CG 3.23Å; R65-L69 WeakPolarHBondContact O-CG 3.27Å; R65-L69 PolarHBondContact O-N 3.26Å |
| 66 | K | 77.8 | Confident | 74.6 | Confident | 132 Ų | 132 | 112.3 Ų | 112.3 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 174.7 | -71.3 | 173.4 | -174.5 | 162.3 | 0 | 110.4 | R62 D63 V64 L69 E70 | R62-K66 PolarHBondContact O-N 3.17Å; D63-K66 WeakPolarHBondContact O-CB 3.26Å; D63-K66 PolarHBondContact O-N 2.93Å; D63-K66 IonicContact OD1-NZ 3.4Å; D63-K66 PolarHBondContact OD1-NZ 2.97Å; V64-K66 VanDerWaalsContact C-N 3.34Å; V64-K66 PolarHBondContact O-N 3.4Å; K66-L69 WeakPolarHBondContact O-CB 3.35Å; K66-L69 PolarHBondContact O-N 3.28Å; K66-E70 WeakPolarHBondContact O-CG 3.29Å; K66-E70 PolarHBondContact O-N 2.97Å |
| 67 | E | 76.5 | Confident | 74.8 | Confident | 122 Ų | 122 | 107.2 Ų | 107.2 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -45.7 | 178.5 | -171.3 | 175.5 | -174.2 | 0 | 0 | 112.1 | D63 V64 R65 L69 E70 C71 | D63-E67 PolarHBondContact O-N 3.48Å; V64-E67 PolarHBondContact O-N 3.32Å; R65-E67 VanDerWaalsContact C-N 3.35Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.09Å; E67-E70 PolarHBondContact O-N 3.49Å; E67-C71 WeakPolarHBondContact O-CB 3.48Å; E67-C71 PolarHBondContact O-N 3.17Å; E67-C71 PolarHBondContact O-SG 3.49Å; E67-C71 VanDerWaalsContact O-SG 3.37Å |
| 68 | I | 78.5 | Confident | 74.8 | Confident | 20 Ų | 20 | 106.8 Ų | 106.8 | 10% | 0.103 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 174 | -69.6 | 170.9 | 0 | 0 | 0 | 110.7 | Y51 I54 V64 C71 V72 | Y51-I68 HydrophobicContact CD1-CD1 3.68Å; Y51-I68 HydrophobicContact CE1-CD1 3.41Å; Y51-I68 VanDerWaalsContact CE1-CD1 3.41Å; I54-I68 HydrophobicContact CD1-CD1 4.25Å; I54-I68 HydrophobicContact CD1-CG1 4.38Å; I54-I68 HydrophobicContact CG2-CD1 4.38Å; V64-I68 HydrophobicContact CG1-CD1 3.86Å; V64-I68 HydrophobicContact CG1-CG1 4.26Å; V64-I68 VanDerWaalsContact O-CG1 3.3Å; V64-I68 WeakPolarHBondContact O-CG1 3.2Å; V64-I68 PolarHBondContact O-N 3.26Å; I68-C71 PolarHBondContact O-N 3.31Å; I68-V72 VanDerWaalsContact O-CG2 3.3Å; I68-V72 WeakPolarHBondContact O-CG2 3.49Å; I68-V72 PolarHBondContact O-N 2.98Å |
| 69 | L | 78.1 | Confident | 74.9 | Confident | 83 Ų | 83 | 98.9 Ų | 98.9 | 44% | 0.435 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 177.7 | -73.2 | 171.7 | 0 | 0 | 0 | 112.1 | R65 K66 E67 V72 R73 | R65-L69 HydrophobicContact CG-CD1 4.25Å; R65-L69 WeakPolarHBondContact O-CB 3.15Å; R65-L69 VanDerWaalsContact O-CG 3.23Å; R65-L69 WeakPolarHBondContact O-CG 3.27Å; R65-L69 PolarHBondContact O-N 3.26Å; K66-L69 WeakPolarHBondContact O-CB 3.35Å; K66-L69 PolarHBondContact O-N 3.28Å; E67-L69 VanDerWaalsContact C-N 3.3Å; E67-L69 PolarHBondContact O-N 3.09Å; L69-V72 PolarHBondContact O-N 3.32Å; L69-R73 VanDerWaalsContact O-CG 3.3Å; L69-R73 WeakPolarHBondContact O-CG 3.44Å; L69-R73 PolarHBondContact O-N 2.92Å |
| 70 | E | 77.5 | Confident | 74.6 | Confident | 116 Ų | 116 | 91.1 Ų | 91.1 | 54% | 0.542 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 174.9 | -71.9 | -52.4 | 133.4 | 0 | 0 | 111.9 | K66 E67 V72 R73 Y74 | K66-E70 WeakPolarHBondContact O-CG 3.29Å; K66-E70 PolarHBondContact O-N 2.97Å; E67-E70 PolarHBondContact O-N 3.49Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 3.36Å; E70-R73 WeakPolarHBondContact O-CB 3.27Å; E70-R73 PolarHBondContact O-N 2.9Å; E70-R73 IonicContact OE1-NE 3.55Å; E70-Y74 WeakPolarHBondContact O-CB 3.48Å; E70-Y74 PolarHBondContact O-N 2.89Å |
| 71 | C | 74.1 | Confident | 74.2 | Confident | 76 Ų | 76 | 89.7 Ų | 89.7 | 51% | 0.514 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 172.4 | -74.8 | 0 | 0 | 0 | 0 | 111.8 | E67 I68 Y74 F75 | E67-C71 WeakPolarHBondContact O-CB 3.48Å; E67-C71 PolarHBondContact O-N 3.17Å; E67-C71 PolarHBondContact O-SG 3.49Å; E67-C71 VanDerWaalsContact O-SG 3.37Å; I68-C71 PolarHBondContact O-N 3.31Å; C71-Y74 PolarHBondContact O-N 3.2Å; C71-F75 WeakPolarHBondContact O-CB 3.49Å; C71-F75 PolarHBondContact O-N 3.32Å |
| 72 | V | 77.4 | Confident | 73.5 | Confident | 52 Ų | 52 | 90.8 Ų | 90.8 | 32% | 0.315 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63 | -46.3 | 174.6 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | I13 I68 L69 E70 Y74 F75 C76 | I13-V72 HydrophobicContact CD1-CG1 3.49Å; I13-V72 VanDerWaalsContact CD1-CG1 3.49Å; I68-V72 VanDerWaalsContact O-CG2 3.3Å; I68-V72 WeakPolarHBondContact O-CG2 3.49Å; I68-V72 PolarHBondContact O-N 2.98Å; L69-V72 PolarHBondContact O-N 3.32Å; E70-V72 VanDerWaalsContact C-N 3.33Å; E70-V72 PolarHBondContact O-N 3.36Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 2.91Å; V72-F75 PolarHBondContact O-N 3.33Å; V72-C76 WeakPolarHBondContact O-CB 3.37Å; V72-C76 PolarHBondContact O-N 3.29Å; V72-C76 PolarHBondContact O-SG 2.82Å |
| 73 | R | 76.3 | Confident | 72.6 | Confident | 153 Ų | 153 | 84.1 Ų | 84.1 | 58% | 0.577 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -59.4 | -42.8 | 176.8 | -75.1 | 176.8 | -169.4 | -78.2 | -1.5 | 112.2 | L69 E70 C76 S77 | L69-R73 VanDerWaalsContact O-CG 3.3Å; L69-R73 WeakPolarHBondContact O-CG 3.44Å; L69-R73 PolarHBondContact O-N 2.92Å; E70-R73 WeakPolarHBondContact O-CB 3.27Å; E70-R73 PolarHBondContact O-N 2.9Å; E70-R73 IonicContact OE1-NE 3.55Å; R73-C76 WeakPolarHBondContact O-CB 3.46Å; R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 2.81Å; R73-S77 PolarHBondContact O-OG 3.09Å |
| 74 | Y | 76.3 | Confident | 71.7 | Confident | 165 Ų | 165 | 82.2 Ų | 82.2 | 65% | 0.647 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.7 | -47.9 | 176.1 | 177.2 | -98.1 | 0 | 0 | 0 | 110.8 | E70 C71 V72 C76 S77 S78 | E70-Y74 WeakPolarHBondContact O-CB 3.48Å; E70-Y74 PolarHBondContact O-N 2.89Å; C71-Y74 PolarHBondContact O-N 3.2Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 2.91Å; Y74-C76 PolarHBondContact O-N 2.93Å; Y74-S77 PolarHBondContact O-N 3.42Å; Y74-S77 VanDerWaalsContact O-N 3.12Å; Y74-S78 WeakPolarHBondContact O-CB 3.32Å; Y74-S78 PolarHBondContact O-N 2.88Å; Y74-S78 PolarHBondContact O-OG 3.45Å; Y74-S78 VanDerWaalsContact O-OG 3.09Å |
| 75 | F | 74.6 | Confident | 70.8 | Confident | 93 Ų | 93 | 86.4 Ų | 86.4 | 41% | 0.408 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 178.9 | -165.2 | -110.4 | 0 | 0 | 0 | 112 | L11 I47 C71 V72 S77 S78 A79 | L11-F75 HydrophobicContact CD1-CD1 3.62Å; L11-F75 HydrophobicContact CD1-CE1 3.45Å; L11-F75 VanDerWaalsContact CD1-CE1 3.45Å; L11-F75 HydrophobicContact CD2-CD1 3.7Å; L11-F75 HydrophobicContact CD2-CE1 4.3Å; L11-F75 HydrophobicContact CG-CD1 4.28Å; L11-F75 HydrophobicContact CG-CE1 4.43Å; I47-F75 HydrophobicContact CD1-CE1 4.47Å; I47-F75 HydrophobicContact CD1-CE2 4.03Å; I47-F75 HydrophobicContact CD1-CZ 3.76Å; C71-F75 WeakPolarHBondContact O-CB 3.49Å; C71-F75 PolarHBondContact O-N 3.32Å; V72-F75 PolarHBondContact O-N 3.33Å; F75-S77 VanDerWaalsContact C-N 3.34Å; F75-S77 PolarHBondContact O-N 3.42Å; F75-S78 PolarHBondContact O-N 3.25Å; F75-A79 WeakPolarHBondContact O-CB 3.2Å; F75-A79 PolarHBondContact O-N 3.09Å |
| 76 | C | 74.7 | Confident | 69.7 | Low | 23 Ų | 23 | 86 Ų | 86 | 16% | 0.155 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -55 | -50.5 | 171 | -68.4 | 0 | 0 | 0 | 0 | 110.7 | L11 V72 R73 Y74 S78 A79 Y80 V95 | L11-C76 HydrophobicContact CD2-CB 4.22Å; L11-C76 WeakPolarHBondContact CD2-SG 3.21Å; V72-C76 WeakPolarHBondContact O-CB 3.37Å; V72-C76 PolarHBondContact O-N 3.29Å; V72-C76 PolarHBondContact O-SG 2.82Å; R73-C76 WeakPolarHBondContact O-CB 3.46Å; Y74-C76 PolarHBondContact O-N 2.93Å; C76-S78 PolarHBondContact O-N 3.2Å; C76-A79 PolarHBondContact O-N 3.42Å; C76-Y80 WeakPolarHBondContact O-CD2 3.4Å; C76-Y80 WeakPolarHBondContact O-CE2 3.4Å; C76-V95 HydrophobicContact CB-CG2 4.41Å; C76-V95 VanDerWaalsContact SG-CG2 3.59Å |
| 77 | S | 73.7 | Confident | 68.3 | Low | 74 Ų | 74 | 87.3 Ų | 87.3 | 52% | 0.517 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | -177.5 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | R73 Y74 F75 Y80 A81 | R73-S77 WeakPolarHBondContact O-CB 3.39Å; R73-S77 PolarHBondContact O-N 2.81Å; R73-S77 PolarHBondContact O-OG 3.09Å; Y74-S77 PolarHBondContact O-N 3.42Å; Y74-S77 VanDerWaalsContact O-N 3.12Å; F75-S77 VanDerWaalsContact C-N 3.34Å; F75-S77 PolarHBondContact O-N 3.42Å; S77-Y80 PolarHBondContact O-N 3.25Å; S77-A81 PolarHBondContact O-N 3.26Å |
| 78 | S | 72.3 | Confident | 67.2 | Low | 49 Ų | 49 | 86.5 Ų | 86.5 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 179.5 | -63.9 | 0 | 0 | 0 | 0 | 112.9 | Y74 F75 C76 Y80 A81 | Y74-S78 WeakPolarHBondContact O-CB 3.32Å; Y74-S78 PolarHBondContact O-N 2.88Å; Y74-S78 PolarHBondContact O-OG 3.45Å; Y74-S78 VanDerWaalsContact O-OG 3.09Å; F75-S78 PolarHBondContact O-N 3.25Å; C76-S78 PolarHBondContact O-N 3.2Å; S78-Y80 PolarHBondContact O-N 2.84Å; S78-Y80 VanDerWaalsContact O-N 3.1Å; S78-A81 PolarHBondContact O-N 3.5Å |
| 79 | A | 69.2 | Low | 65.7 | Low | 21 Ų | 21 | 92.8 Ų | 92.8 | 17% | 0.174 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61.3 | -20.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R10 F75 C76 | R10-A79 PolarHBondContact NH1-O 2.85Å; R10-A79 VanDerWaalsContact NH1-O 3.12Å; F75-A79 WeakPolarHBondContact O-CB 3.2Å; F75-A79 PolarHBondContact O-N 3.09Å; C76-A79 PolarHBondContact O-N 3.42Å |
| 80 | Y | 64.4 | Low | 64.2 | Low | 23 Ų | 23 | 95.3 Ų | 95.3 | 9% | 0.09 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -106.5 | -14.1 | 179.3 | -60.9 | -66.7 | 0 | 0 | 0 | 114.7 | C76 S77 S78 D82 K93 K94 | C76-Y80 WeakPolarHBondContact O-CD2 3.4Å; C76-Y80 WeakPolarHBondContact O-CE2 3.4Å; S77-Y80 PolarHBondContact O-N 3.25Å; S78-Y80 PolarHBondContact O-N 2.84Å; S78-Y80 VanDerWaalsContact O-N 3.1Å; Y80-D82 VanDerWaalsContact C-N 3.28Å; Y80-D82 PolarHBondContact O-N 2.91Å; Y80-K93 HydrophobicContact CD2-CB 4.18Å; Y80-K93 HydrophobicContact CD2-CG 3.99Å; Y80-K93 HydrophobicContact CE2-CB 4.08Å; Y80-K93 HydrophobicContact CE2-CG 4.39Å; Y80-K93 HydrophobicContact CG-CG 4.15Å; Y80-K94 PolarHBondContact OH-O 3Å |
| 81 | A | 62.2 | Low | 62.8 | Low | 69 Ų | 69 | 91.8 Ų | 91.8 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67 | -27.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S77 S78 R83 | S77-A81 PolarHBondContact O-N 3.26Å; S78-A81 PolarHBondContact O-N 3.5Å; A81-R83 PolarHBondContact O-N 3.38Å |
| 82 | D | 57.4 | Low | 61.6 | Low | 137 Ų | 137 | 90.1 Ų | 90.1 | 73% | 0.733 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -80.6 | 40.4 | -173.8 | -160.5 | 23.1 | 0 | 0 | 0 | 114.2 | Y80 | Y80-D82 VanDerWaalsContact C-N 3.28Å; Y80-D82 PolarHBondContact O-N 2.91Å |
| 83 | R | 55.8 | Low | 60.7 | Low | 75 Ų | 75 | 95.7 Ų | 95.7 | 28% | 0.283 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -126.5 | 142.2 | 174.8 | -75.7 | -167.1 | 177.2 | -138.2 | 1.8 | 111 | A81 R87 Q88 | A81-R83 PolarHBondContact O-N 3.38Å; R83-R87 HydrophobicContact CB-CB 4.17Å; R83-R87 HydrophobicContact CG-CB 4.39Å; R83-Q88 HydrophobicContact CB-CG 4.08Å; R83-Q88 PolarHBondContact O-NE2 3.13Å |
| 84 | S | 56.2 | Low | 60.5 | Low | 56 Ų | 56 | 92.9 Ų | 92.9 | 39% | 0.392 | 48% | 0.478 | S | S | . | . | trans | -51.5 | 146.8 | 166.1 | 60.6 | 0 | 0 | 0 | 0 | 110.2 | E86 R87 Q88 | S84-E86 PolarHBondContact O-N 3.43Å; S84-R87 PolarHBondContact O-N 2.96Å; S84-Q88 PolarHBondContact O-N 2.85Å | ||
| 85 | P | 56 | Low | 60.7 | Low | 102 Ų | 102 | 86.4 Ų | 86.4 | 66% | 0.662 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -50 | -35 | -179 | -26.6 | 32.9 | 0 | 0 | 0 | 113.1 | R87 Q88 | P85-R87 VanDerWaalsContact C-N 3.32Å; P85-R87 PolarHBondContact O-N 3.17Å; P85-Q88 PolarHBondContact O-N 3.45Å |
| 86 | E | 54 | Low | 61.2 | Low | 164 Ų | 164 | 82 Ų | 82 | 77% | 0.766 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63 | -32.3 | 178.3 | -65.3 | 166.7 | 176.4 | 0 | 0 | 113.4 | S84 | S84-E86 PolarHBondContact O-N 3.43Å |
| 87 | R | 49.9 | Very low | 61.8 | Low | 160 Ų | 160 | 82.8 Ų | 82.8 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -95.7 | -9 | 179.7 | -66.7 | -172.1 | 175.8 | -165.4 | -0.7 | 113.9 | R83 S84 P85 N89 | R83-R87 HydrophobicContact CB-CB 4.17Å; R83-R87 HydrophobicContact CG-CB 4.39Å; S84-R87 PolarHBondContact O-N 2.96Å; P85-R87 VanDerWaalsContact C-N 3.32Å; P85-R87 PolarHBondContact O-N 3.17Å; R87-N89 VanDerWaalsContact C-N 3.28Å; R87-N89 PolarHBondContact O-N 3Å |
| 88 | Q | 51.6 | Low | 62.5 | Low | 106 Ų | 106 | 79.2 Ų | 79.2 | 50% | 0.495 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -68.3 | -28.2 | 177.8 | -72 | -178.5 | 11.7 | 0 | 0 | 112.3 | R83 S84 P85 | R83-Q88 HydrophobicContact CB-CG 4.08Å; R83-Q88 PolarHBondContact O-NE2 3.13Å; S84-Q88 PolarHBondContact O-N 2.85Å; P85-Q88 PolarHBondContact O-N 3.45Å |
| 89 | N | 48.1 | Very low | 63.5 | Low | 152 Ų | 152 | 77.1 Ų | 77.1 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.9 | -176.1 | -72.9 | -23.9 | 0 | 0 | 0 | 115 | R87 | R87-N89 VanDerWaalsContact C-N 3.28Å; R87-N89 PolarHBondContact O-N 3Å |
| 90 | I | 46.4 | Very low | 64.6 | Low | 136 Ų | 136 | 76.2 Ų | 76.2 | 70% | 0.697 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -26.2 | -169.8 | -58.3 | 177.2 | 0 | 0 | 0 | 112.7 | ||
| 91 | V | 47.3 | Very low | 65.9 | Low | 41 Ų | 41 | 75.1 Ų | 75.1 | 25% | 0.248 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -96.7 | 110.4 | -178.3 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | K93 | V91-K93 PolarHBondContact O-N 3.35Š|
| 92 | S | 50.2 | Low | 67.3 | Low | 41 Ų | 41 | 72.1 Ų | 72.1 | 29% | 0.287 | 36% | 0.359 | S | S | . | . | trans | -49.8 | 127.4 | 167.8 | 60 | 0 | 0 | 0 | 0 | 109.5 | K94 | S92-K94 PolarHBondContact O-N 3.29Å; S92-K94 WeakPolarHBondContact OG-CD 3.34Å; S92-K94 WeakPolarHBondContact OG-CE 3.26Å; S92-K94 VanDerWaalsContact OG-CG 3.28Å; S92-K94 WeakPolarHBondContact OG-CG 3.47Å | ||
| 93 | K | 58.6 | Low | 68.9 | Low | 169 Ų | 169 | 69 Ų | 69 | 74% | 0.735 | 34% | 0.34 | S | S | * | . | trans | -66.7 | 56 | 173.7 | -65.8 | -178.4 | 178.4 | 179 | 0 | 111.1 | Y80 V91 | Y80-K93 HydrophobicContact CD2-CB 4.18Å; Y80-K93 HydrophobicContact CD2-CG 3.99Å; Y80-K93 HydrophobicContact CE2-CB 4.08Å; Y80-K93 HydrophobicContact CE2-CG 4.39Å; Y80-K93 HydrophobicContact CG-CG 4.15Å; V91-K93 PolarHBondContact O-N 3.35Å | ||
| 94 | K | 71.9 | Confident | 70.6 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 41% | 0.413 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 122.2 | -176.4 | -75.3 | 177.7 | -169.6 | -176.7 | 0 | 107.9 | C9 Y80 S92 A174 | C9-K94 WeakPolarHBondContact CB-O 3.44Å; C9-K94 PolarHBondContact SG-O 2.9Å; Y80-K94 PolarHBondContact OH-O 3Å; S92-K94 PolarHBondContact O-N 3.29Å; S92-K94 WeakPolarHBondContact OG-CD 3.34Å; S92-K94 WeakPolarHBondContact OG-CE 3.26Å; S92-K94 VanDerWaalsContact OG-CG 3.28Å; S92-K94 WeakPolarHBondContact OG-CG 3.47Å; K94-A174 HydrophobicContact CB-CB 3.63Å; K94-A174 HydrophobicContact CD-CB 3.38Å; K94-A174 HydrophobicContact CG-CB 3.82Å |
| 95 | V | 80.5 | Confident | 72.3 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 128.9 | 171.7 | 175 | 0 | 0 | 0 | 0 | 106.6 | C9 L11 I13 C76 C175 | C9-V95 VanDerWaalsContact SG-C 3.59Å; L11-V95 HydrophobicContact CD2-CG1 4.29Å; L11-V95 HydrophobicContact CD2-CG2 4.23Å; L11-V95 HydrophobicContact CG-CG1 4.03Å; L11-V95 CarbonylContact O-C 3.55Å; L11-V95 WeakPolarHBondContact O-CA 3.43Å; I13-V95 HydrophobicContact CB-CG1 4.48Å; I13-V95 HydrophobicContact CD1-CG1 3.73Å; I13-V95 HydrophobicContact CG1-CG1 3.76Å; C76-V95 HydrophobicContact CB-CG2 4.41Å; C76-V95 VanDerWaalsContact SG-CG2 3.59Å; V95-C175 WeakPolarHBondContact O-CB 3.47Å; V95-C175 PolarHBondContact O-N 3.02Å |
| 96 | G | 84.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 146.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | C9 L11 A12 I13 C170 E173 | C9-G96 VanDerWaalsContact CB-N 3.32Å; C9-G96 VanDerWaalsContact SG-CA 3.59Å; C9-G96 PolarHBondContact SG-N 3.43Å; L11-G96 PolarHBondContact O-N 3.07Å; A12-G96 CarbonylContact C-O 3.52Å; A12-G96 VanDerWaalsContact CA-O 3.32Å; A12-G96 WeakPolarHBondContact CA-O 3.47Å; I13-G96 PolarHBondContact N-O 2.65Å; G96-C170 WeakPolarHBondContact CA-O 3.23Å; G96-E173 WeakPolarHBondContact CA-O 3.34Å |
| 97 | F | 86.9 | Confident | 76 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 17% | 0.171 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.3 | 175.2 | 174.5 | -95.4 | 0 | 0 | 0 | 110.1 | I13 L15 Q99 W144 N147 E173 C175 | I13-F97 WeakPolarHBondContact O-CA 3.4Å; I13-F97 WeakPolarHBondContact O-CD2 3.43Å; L15-F97 HydrophobicContact CB-CE2 4.38Å; L15-F97 HydrophobicContact CB-CZ 4.48Å; F97-Q99 HydrophobicContact CE1-CB 4.42Å; F97-Q99 HydrophobicContact CZ-CB 4.37Å; F97-W144 AromaticContact CE1-CE3 3.78Å; F97-W144 HydrophobicContact CE1-CE3 3.78Å; F97-W144 HydrophobicContact CE1-CZ3 4.35Å; F97-W144 WeakPolarHBondContact CE1-O 3.39Å; F97-W144 AromaticContact CZ-CE3 3.88Å; F97-W144 HydrophobicContact CZ-CE3 3.88Å; F97-W144 HydrophobicContact CZ-CZ3 4.09Å; F97-N147 PolarHBondContact O-ND2 3.4Å; F97-E173 PolarHBondContact N-O 3.33Å; F97-C175 HydrophobicContact CB-CB 3.69Å |
| 98 | G | 89.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 165.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I13 V14 L15 N147 | I13-G98 PolarHBondContact O-N 2.88Å; V14-G98 CarbonylContact C-O 3.54Å; V14-G98 VanDerWaalsContact CA-O 3.26Å; V14-G98 WeakPolarHBondContact CA-O 3.16Å; L15-G98 PolarHBondContact N-O 3.27Å; G98-N147 CarbonylContact C-O 3.57Å; G98-N147 WeakPolarHBondContact CA-O 3.48Å |
| 99 | Q | 91.9 | Very high | 80.1 | Confident | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.023 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.4 | 174.1 | -179.4 | 170.3 | -107.1 | 0 | 0 | 109.6 | L15 V17 F97 P137 N147 T148 L149 F166 | L15-Q99 HydrophobicContact CB-CG 4.48Å; L15-Q99 CarbonylContact O-C 3.48Å; L15-Q99 WeakPolarHBondContact O-CA 3.34Å; V17-Q99 HydrophobicContact CG2-CG 4.03Å; F97-Q99 HydrophobicContact CE1-CB 4.42Å; F97-Q99 HydrophobicContact CZ-CB 4.37Å; Q99-P137 HydrophobicContact CG-CG 4.47Å; Q99-N147 PolarHBondContact N-O 2.89Å; Q99-T148 HydrophobicContact CB-CG2 4.34Å; Q99-T148 HydrophobicContact CG-CG2 4.24Å; Q99-T148 PolarHBondContact NE2-OG1 2.81Å; Q99-T148 CarbonylContact O-C 3.6Å; Q99-T148 WeakPolarHBondContact O-CA 3.38Å; Q99-L149 PolarHBondContact O-N 2.85Å; Q99-F166 WeakPolarHBondContact O-CZ 3.3Å |
| 100 | I | 92.6 | Very high | 82.4 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 113.7 | 173.6 | -60.1 | 175.6 | 0 | 0 | 0 | 107.5 | V14 L15 M16 V17 L27 V102 L149 L151 V163 F166 L167 | V14-I100 HydrophobicContact CG1-CD1 3.89Å; V14-I100 HydrophobicContact CG1-CG1 3.88Å; L15-I100 PolarHBondContact O-N 3.46Å; M16-I100 HydrophobicContact CE-CB 4.28Å; M16-I100 HydrophobicContact CE-CG2 4.11Å; M16-I100 HydrophobicContact SD-CB 3.62Å; M16-I100 HydrophobicContact SD-CD1 3.77Å; M16-I100 HydrophobicContact SD-CG1 4.12Å; M16-I100 HydrophobicContact SD-CG2 4.1Å; V17-I100 PolarHBondContact N-O 2.95Å; L27-I100 HydrophobicContact CD2-CG2 4.22Å; I100-V102 HydrophobicContact CG2-CG2 4.33Å; I100-L149 CarbonylContact C-O 3.55Å; I100-L149 WeakPolarHBondContact CA-O 3.32Å; I100-L149 HydrophobicContact CG1-CB 4.33Å; I100-L151 HydrophobicContact CG2-CD1 3.37Å; I100-L151 HydrophobicContact CG2-CG 3.93Å; I100-V163 HydrophobicContact CD1-CG1 3.86Å; I100-F166 HydrophobicContact CD1-CD1 4.07Å; I100-F166 HydrophobicContact CD1-CE1 4.17Å; I100-F166 HydrophobicContact CG1-CD1 3.9Å; I100-F166 HydrophobicContact CG1-CE1 3.59Å; I100-L167 HydrophobicContact CD1-CD2 4.02Å |
| 101 | A | 92.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 110 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V17 Q103 M136 P137 T148 L149 L150 L151 | V17-A101 CarbonylContact O-C 3.59Å; V17-A101 WeakPolarHBondContact O-CA 3.37Å; A101-Q103 PolarHBondContact O-N 3.38Å; A101-M136 HydrophobicContact CB-SD 4.32Å; A101-P137 HydrophobicContact CB-CG 3.91Å; A101-T148 HydrophobicContact CB-CG2 4.21Å; A101-L149 PolarHBondContact N-O 3.35Å; A101-L150 HydrophobicContact CB-CD1 3.84Å; A101-L151 PolarHBondContact O-N 3.26Å |
| 102 | V | 91.9 | Very high | 86.9 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 97.3 | 175.6 | -170.9 | 0 | 0 | 0 | 0 | 108.5 | M16 V17 A22 K24 L27 I100 | M16-V102 HydrophobicContact CE-CG2 4.26Å; V17-V102 PolarHBondContact O-N 3.19Å; A22-V102 HydrophobicContact CB-CB 4.3Å; A22-V102 HydrophobicContact CB-CG1 4.04Å; A22-V102 WeakPolarHBondContact O-CG1 3.26Å; K24-V102 HydrophobicContact CG-CB 4.42Å; K24-V102 HydrophobicContact CG-CG2 4.14Å; L27-V102 HydrophobicContact CD2-CG2 4.43Å; I100-V102 HydrophobicContact CG2-CG2 4.33Å |
| 103 | Q | 90.3 | Very high | 88.9 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | trans | -76.6 | 129.9 | 175.9 | -174.4 | 169.4 | 23 | 0 | 0 | 109.3 | A101 M136 L150 L151 | A101-Q103 PolarHBondContact O-N 3.38Å; Q103-M136 HydrophobicContact CB-CE 4.16Å; Q103-M136 HydrophobicContact CG-CE 4.09Å; Q103-L150 HydrophobicContact CB-CD1 4.07Å; Q103-L151 PolarHBondContact N-O 3.27Å | ||
| 104 | T | 90.6 | Very high | 90.5 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | trans | -151.4 | 135.3 | -179.6 | -59.8 | 0 | 0 | 0 | 0 | 108.3 | A22 V108 A109 | A22-T104 PolarHBondContact O-OG1 3.42Å; T104-V108 HydrophobicContact CG2-CB 3.9Å; T104-V108 HydrophobicContact CG2-CG1 3.81Å; T104-A109 HydrophobicContact CG2-CB 4.16Å | ||
| 105 | D | 92 | Very high | 91.4 | Very high | 120 Ų | 120 | 45.5 Ų | 45.5 | 64% | 0.642 | 23% | 0.228 | S | C | * | . | trans | -59.9 | 140.7 | 174.3 | -62.4 | -45 | 0 | 0 | 0 | 110.7 | D107 V108 A109 | D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 2.87Å; D105-V108 HydrophobicContact CB-CB 4.41Å; D105-V108 HydrophobicContact CB-CG2 4.1Å; D105-V108 WeakPolarHBondContact O-CB 3.27Å; D105-V108 PolarHBondContact O-N 2.83Å; D105-A109 PolarHBondContact O-N 3.38Å | ||
| 106 | V | 94.9 | Very high | 91.6 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 24% | 0.242 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.3 | -40.9 | -174.1 | 66 | 0 | 0 | 0 | 0 | 111.9 | L19 V108 A109 V110 I127 F128 A131 | L19-V106 HydrophobicContact CD1-CB 4.49Å; V106-V108 VanDerWaalsContact C-N 3.31Å; V106-V108 PolarHBondContact O-N 3.18Å; V106-A109 WeakPolarHBondContact O-CB 3.22Å; V106-A109 PolarHBondContact O-N 2.9Å; V106-A109 VanDerWaalsContact O-N 3.15Å; V106-V110 HydrophobicContact CG2-CG2 4.46Å; V106-V110 WeakPolarHBondContact O-CG2 3.39Å; V106-V110 PolarHBondContact O-N 2.58Å; V106-I127 HydrophobicContact CG2-CG2 4.24Å; V106-F128 HydrophobicContact CG1-CE1 4.3Å; V106-F128 HydrophobicContact CG2-CD1 3.59Å; V106-F128 HydrophobicContact CG2-CE1 3.8Å; V106-A131 HydrophobicContact CB-CB 4.05Å; V106-A131 HydrophobicContact CG2-CB 3.67Å |
| 107 | D | 94.5 | Very high | 91.2 | Very high | 102 Ų | 102 | 53.3 Ų | 53.3 | 55% | 0.545 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65 | -36 | 178.8 | -58.7 | -34.5 | 0 | 0 | 0 | 112.4 | D105 R111 | D105-D107 VanDerWaalsContact C-N 3.27Å; D105-D107 PolarHBondContact O-N 2.87Å; D107-R111 WeakPolarHBondContact O-CB 3.27Å; D107-R111 PolarHBondContact O-N 3.03Å |
| 108 | V | 93.4 | Very high | 90.4 | Very high | 37 Ų | 37 | 54 Ų | 54 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.9 | -41.2 | 175.6 | 177.6 | 0 | 0 | 0 | 0 | 109.9 | T104 D105 V106 R111 R112 | T104-V108 HydrophobicContact CG2-CB 3.9Å; T104-V108 HydrophobicContact CG2-CG1 3.81Å; D105-V108 HydrophobicContact CB-CB 4.41Å; D105-V108 HydrophobicContact CB-CG2 4.1Å; D105-V108 WeakPolarHBondContact O-CB 3.27Å; D105-V108 PolarHBondContact O-N 2.83Å; V106-V108 VanDerWaalsContact C-N 3.31Å; V106-V108 PolarHBondContact O-N 3.18Å; V108-R111 PolarHBondContact O-N 3.38Å; V108-R112 HydrophobicContact CG1-CG 4.41Å; V108-R112 WeakPolarHBondContact O-CB 3.48Å; V108-R112 VanDerWaalsContact O-CG 3.3Å; V108-R112 WeakPolarHBondContact O-CG 3.19Å; V108-R112 PolarHBondContact O-N 2.88Å |
| 109 | A | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L19 P20 T104 D105 V106 R112 N113 I127 | L19-A109 HydrophobicContact CB-CB 4.01Å; L19-A109 HydrophobicContact CD1-CB 4.01Å; P20-A109 WeakPolarHBondContact O-CB 3.35Å; T104-A109 HydrophobicContact CG2-CB 4.16Å; D105-A109 PolarHBondContact O-N 3.38Å; V106-A109 WeakPolarHBondContact O-CB 3.22Å; V106-A109 PolarHBondContact O-N 2.9Å; V106-A109 VanDerWaalsContact O-N 3.15Å; A109-R112 PolarHBondContact O-N 2.67Å; A109-N113 VanDerWaalsContact O-CB 3.27Å; A109-N113 WeakPolarHBondContact O-CB 3.49Å; A109-N113 PolarHBondContact O-N 3.44Å; A109-I127 HydrophobicContact CB-CG2 4.34Å |
| 110 | V | 96.3 | Very high | 88.8 | Confident | 16 Ų | 16 | 63.9 Ų | 63.9 | 10% | 0.097 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.3 | -51.6 | 174.8 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | V106 R112 N113 A114 E124 I127 F128 | V106-V110 HydrophobicContact CG2-CG2 4.46Å; V106-V110 WeakPolarHBondContact O-CG2 3.39Å; V106-V110 PolarHBondContact O-N 2.58Å; V110-R112 PolarHBondContact O-N 2.76Å; V110-N113 WeakPolarHBondContact O-CB 3.3Å; V110-N113 PolarHBondContact O-N 2.7Å; V110-N113 VanDerWaalsContact O-N 3.14Å; V110-A114 PolarHBondContact O-N 3Å; V110-E124 HydrophobicContact CG1-CB 4.48Å; V110-E124 HydrophobicContact CG1-CG 3.9Å; V110-I127 HydrophobicContact CG2-CB 4.14Å; V110-I127 HydrophobicContact CG2-CD1 4.3Å; V110-I127 HydrophobicContact CG2-CG2 3.83Å; V110-F128 HydrophobicContact CG2-CE1 4.42Å; V110-F128 HydrophobicContact CG2-CE2 4.29Å; V110-F128 HydrophobicContact CG2-CZ 4.05Å |
| 111 | R | 94.4 | Very high | 88.6 | Confident | 151 Ų | 151 | 70.8 Ų | 70.8 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.4 | -46 | 179 | -168.7 | -171.9 | -51 | 135.1 | 9.3 | 112.2 | D107 V108 N113 A114 L115 | D107-R111 WeakPolarHBondContact O-CB 3.27Å; D107-R111 PolarHBondContact O-N 3.03Å; V108-R111 PolarHBondContact O-N 3.38Å; R111-N113 VanDerWaalsContact C-N 3.34Å; R111-A114 PolarHBondContact O-N 2.81Å; R111-L115 HydrophobicContact CG-CD1 4.43Å; R111-L115 WeakPolarHBondContact O-CG 3.45Å; R111-L115 PolarHBondContact O-N 3.27Å; R111-L115 VanDerWaalsContact O-N 3.16Å |
| 112 | R | 92.8 | Very high | 88.4 | Confident | 128 Ų | 128 | 72.6 Ų | 72.6 | 48% | 0.483 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 177.7 | -75.6 | 177 | 175.3 | 172.4 | -0.5 | 112.2 | G21 A22 V108 A109 V110 L115 R116 | G21-R112 WeakPolarHBondContact O-CB 3.36Å; G21-R112 WeakPolarHBondContact O-CD 3.3Å; A22-R112 PolarHBondContact O-NH1 3.46Å; V108-R112 HydrophobicContact CG1-CG 4.41Å; V108-R112 WeakPolarHBondContact O-CB 3.48Å; V108-R112 VanDerWaalsContact O-CG 3.3Å; V108-R112 WeakPolarHBondContact O-CG 3.19Å; V108-R112 PolarHBondContact O-N 2.88Å; A109-R112 PolarHBondContact O-N 2.67Å; V110-R112 PolarHBondContact O-N 2.76Å; R112-L115 PolarHBondContact O-N 2.92Å; R112-R116 PolarHBondContact O-N 2.89Å |
| 113 | N | 92.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.027 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 175.5 | 177 | 78.1 | 0 | 0 | 0 | 111.8 | A109 V110 R111 L115 R116 V122 I127 | A109-N113 VanDerWaalsContact O-CB 3.27Å; A109-N113 WeakPolarHBondContact O-CB 3.49Å; A109-N113 PolarHBondContact O-N 3.44Å; V110-N113 WeakPolarHBondContact O-CB 3.3Å; V110-N113 PolarHBondContact O-N 2.7Å; V110-N113 VanDerWaalsContact O-N 3.14Å; R111-N113 VanDerWaalsContact C-N 3.34Å; N113-L115 VanDerWaalsContact C-N 3.28Å; N113-L115 PolarHBondContact O-N 2.89Å; N113-R116 WeakPolarHBondContact O-CB 3.38Å; N113-R116 VanDerWaalsContact O-CG 3.29Å; N113-R116 WeakPolarHBondContact O-CG 3.41Å; N113-R116 PolarHBondContact O-N 3.46Å; N113-R116 PolarHBondContact OD1-NH1 3.16Å; N113-V122 PolarHBondContact ND2-O 2.7Å; N113-V122 PolarHBondContact OD1-N 3.49Å; N113-I127 HydrophobicContact CB-CD1 3.62Å |
| 114 | A | 92.1 | Very high | 88.5 | Confident | 42 Ų | 42 | 79.7 Ų | 79.7 | 35% | 0.347 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.6 | -33.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | V110 R111 R116 R121 | V110-A114 PolarHBondContact O-N 3Å; R111-A114 PolarHBondContact O-N 2.81Å; A114-R116 VanDerWaalsContact C-N 3.28Å; A114-R116 PolarHBondContact O-N 3.28Å; A114-R121 PolarHBondContact O-NH1 2.6Å; A114-R121 PolarHBondContact O-NH2 3.11Å |
| 115 | L | 91.2 | Very high | 88.6 | Confident | 135 Ų | 135 | 85.3 Ų | 85.3 | 71% | 0.707 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 1.7 | 178.4 | -66.1 | 172.9 | 0 | 0 | 0 | 114.3 | R111 R112 N113 S117 | R111-L115 HydrophobicContact CG-CD1 4.43Å; R111-L115 WeakPolarHBondContact O-CG 3.45Å; R111-L115 PolarHBondContact O-N 3.27Å; R111-L115 VanDerWaalsContact O-N 3.16Å; R112-L115 PolarHBondContact O-N 2.92Å; N113-L115 VanDerWaalsContact C-N 3.28Å; N113-L115 PolarHBondContact O-N 2.89Å; L115-S117 PolarHBondContact O-N 3.01Å; L115-S117 VanDerWaalsContact O-N 3.16Å |
| 116 | R | 85.5 | Confident | 88.6 | Confident | 58 Ų | 58 | 82.6 Ų | 82.6 | 22% | 0.219 | 45% | 0.448 | C | S | . | . | trans | -61.7 | 120.1 | 178.4 | -73.6 | 174.4 | 171.5 | -169.1 | -8.6 | 110.4 | G21 R112 N113 A114 I120 R121 | G21-R116 VanDerWaalsContact N-NH2 3.15Å; R112-R116 PolarHBondContact O-N 2.89Å; N113-R116 WeakPolarHBondContact O-CB 3.38Å; N113-R116 VanDerWaalsContact O-CG 3.29Å; N113-R116 WeakPolarHBondContact O-CG 3.41Å; N113-R116 PolarHBondContact O-N 3.46Å; N113-R116 PolarHBondContact OD1-NH1 3.16Å; A114-R116 VanDerWaalsContact C-N 3.28Å; A114-R116 PolarHBondContact O-N 3.28Å; R116-I120 PolarHBondContact NH1-O 3.08Å; R116-R121 HydrophobicContact CB-CG 4.27Å; R116-R121 PolarHBondContact O-NE 3.42Å; R116-R121 VanDerWaalsContact O-NE 3.13Å; R116-R121 PolarHBondContact O-NH2 3.36Å | ||
| 117 | S | 76.9 | Confident | 88.5 | Confident | 135 Ų | 135 | 80.7 Ų | 80.7 | 94% | 0.944 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -88.1 | -17.3 | 172 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | L115 | L115-S117 PolarHBondContact O-N 3.01Å; L115-S117 VanDerWaalsContact O-N 3.16Å |
| 118 | G | 69.2 | Low | 88.5 | Confident | 54 Ų | 54 | 80.1 Ų | 80.1 | 56% | 0.557 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -137.9 | 151 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 119 | G | 70.5 | Confident | 88.4 | Confident | 72 Ų | 72 | 81.1 Ų | 81.1 | 74% | 0.742 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 82.9 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R121 | G119-R121 PolarHBondContact O-N 3.38Š|
| 120 | I | 77.9 | Confident | 88.3 | Confident | 141 Ų | 141 | 84.8 Ų | 84.8 | 72% | 0.723 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 125.2 | 179.5 | -61.8 | 167.7 | 0 | 0 | 0 | 109 | R116 | R116-I120 PolarHBondContact NH1-O 3.08Š|
| 121 | R | 87.2 | Confident | 88 | Confident | 147 Ų | 147 | 85.8 Ų | 85.8 | 56% | 0.555 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 135.4 | 169.5 | -67.5 | -177.7 | -177.1 | -179.8 | -0.4 | 108.4 | A114 R116 G119 | A114-R121 PolarHBondContact O-NH1 2.6Å; A114-R121 PolarHBondContact O-NH2 3.11Å; R116-R121 HydrophobicContact CB-CG 4.27Å; R116-R121 PolarHBondContact O-NE 3.42Å; R116-R121 VanDerWaalsContact O-NE 3.13Å; R116-R121 PolarHBondContact O-NH2 3.36Å; G119-R121 PolarHBondContact O-N 3.38Å |
| 122 | V | 88.7 | Confident | 87.7 | Confident | 37 Ų | 37 | 85.2 Ų | 85.2 | 22% | 0.224 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 135.6 | 175.6 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | P20 N113 V126 I127 | P20-V122 HydrophobicContact CB-CB 4.03Å; P20-V122 HydrophobicContact CB-CG1 4.42Å; P20-V122 HydrophobicContact CB-CG2 3.91Å; P20-V122 HydrophobicContact CG-CB 4.25Å; P20-V122 HydrophobicContact CG-CG1 4.12Å; P20-V122 HydrophobicContact CG-CG2 4.12Å; N113-V122 PolarHBondContact ND2-O 2.7Å; N113-V122 PolarHBondContact OD1-N 3.49Å; V122-V126 HydrophobicContact CG1-CB 3.67Å; V122-V126 HydrophobicContact CG1-CG1 3.53Å; V122-I127 HydrophobicContact CB-CG1 4.36Å; V122-I127 HydrophobicContact CG1-CG1 4.09Å |
| 123 | D | 91.4 | Very high | 87.5 | Confident | 123 Ų | 123 | 86.2 Ų | 86.2 | 66% | 0.658 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -58 | 143 | 177.8 | -67.6 | -34.1 | 0 | 0 | 0 | 111.5 | E125 V126 I127 | D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 PolarHBondContact O-N 3.39Å; D123-V126 HydrophobicContact CB-CG2 4.16Å; D123-V126 WeakPolarHBondContact O-CA 3.47Å; D123-V126 WeakPolarHBondContact O-CB 3.41Å; D123-V126 PolarHBondContact O-N 3.48Å; D123-I127 PolarHBondContact O-N 2.8Å; D123-I127 VanDerWaalsContact O-N 3.16Å |
| 124 | E | 93.5 | Very high | 87.3 | Confident | 105 Ų | 105 | 88.2 Ų | 88.2 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | -176 | -59.7 | -170.5 | 170.4 | 0 | 0 | 111.8 | V110 V126 I127 F128 | V110-E124 HydrophobicContact CG1-CB 4.48Å; V110-E124 HydrophobicContact CG1-CG 3.9Å; E124-V126 PolarHBondContact O-N 2.56Å; E124-I127 WeakPolarHBondContact O-CA 3.4Å; E124-I127 WeakPolarHBondContact O-CB 3.49Å; E124-I127 PolarHBondContact O-N 2.93Å; E124-F128 HydrophobicContact CB-CD2 4.35Å; E124-F128 HydrophobicContact CB-CE2 4.08Å; E124-F128 WeakPolarHBondContact O-CD2 3.47Å; E124-F128 PolarHBondContact O-N 2.75Å |
| 125 | E | 92.6 | Very high | 86.9 | Confident | 143 Ų | 143 | 91.5 Ų | 91.5 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.9 | -37.9 | 176.2 | -164.6 | -168.5 | 160.1 | 0 | 0 | 111.6 | D123 I127 F128 N129 | D123-E125 VanDerWaalsContact C-N 3.27Å; D123-E125 PolarHBondContact O-N 3.39Å; E125-I127 VanDerWaalsContact C-N 3.34Å; E125-F128 PolarHBondContact O-N 2.94Å; E125-N129 WeakPolarHBondContact O-CB 3.48Å; E125-N129 PolarHBondContact O-N 2.81Å; E125-N129 PolarHBondContact O-ND2 3.34Å |
| 126 | V | 91.1 | Very high | 86.6 | Confident | 64 Ų | 64 | 88.7 Ų | 88.7 | 39% | 0.388 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 175.2 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | V122 D123 E124 N129 M130 | V122-V126 HydrophobicContact CG1-CB 3.67Å; V122-V126 HydrophobicContact CG1-CG1 3.53Å; D123-V126 HydrophobicContact CB-CG2 4.16Å; D123-V126 WeakPolarHBondContact O-CA 3.47Å; D123-V126 WeakPolarHBondContact O-CB 3.41Å; D123-V126 PolarHBondContact O-N 3.48Å; E124-V126 PolarHBondContact O-N 2.56Å; V126-N129 PolarHBondContact O-N 3.44Å; V126-M130 HydrophobicContact CG1-CG 4.38Å; V126-M130 HydrophobicContact CG1-SD 4.24Å; V126-M130 WeakPolarHBondContact O-CB 3.48Å; V126-M130 VanDerWaalsContact O-CG 3.23Å; V126-M130 WeakPolarHBondContact O-CG 3.23Å; V126-M130 PolarHBondContact O-N 2.82Å |
| 127 | I | 93.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.9 | -58.8 | 176.6 | 0 | 0 | 0 | 111 | P20 V106 A109 V110 N113 V122 D123 E124 E125 M130 A131 | P20-I127 HydrophobicContact CB-CD1 4.17Å; P20-I127 HydrophobicContact CB-CG1 4.03Å; P20-I127 HydrophobicContact CG-CG1 4.11Å; V106-I127 HydrophobicContact CG2-CG2 4.24Å; A109-I127 HydrophobicContact CB-CG2 4.34Å; V110-I127 HydrophobicContact CG2-CB 4.14Å; V110-I127 HydrophobicContact CG2-CD1 4.3Å; V110-I127 HydrophobicContact CG2-CG2 3.83Å; N113-I127 HydrophobicContact CB-CD1 3.62Å; V122-I127 HydrophobicContact CB-CG1 4.36Å; V122-I127 HydrophobicContact CG1-CG1 4.09Å; D123-I127 PolarHBondContact O-N 2.8Å; D123-I127 VanDerWaalsContact O-N 3.16Å; E124-I127 WeakPolarHBondContact O-CA 3.4Å; E124-I127 WeakPolarHBondContact O-CB 3.49Å; E124-I127 PolarHBondContact O-N 2.93Å; E125-I127 VanDerWaalsContact C-N 3.34Å; I127-M130 PolarHBondContact O-N 3.25Å; I127-A131 WeakPolarHBondContact O-CB 3.45Å; I127-A131 PolarHBondContact O-N 3.37Å |
| 128 | F | 93.6 | Very high | 86.8 | Confident | 90 Ų | 90 | 84.2 Ų | 84.2 | 40% | 0.395 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 175.3 | -71.3 | -63.4 | 0 | 0 | 0 | 111.5 | V106 V110 E124 E125 M130 A131 E132 | V106-F128 HydrophobicContact CG1-CE1 4.3Å; V106-F128 HydrophobicContact CG2-CD1 3.59Å; V106-F128 HydrophobicContact CG2-CE1 3.8Å; V110-F128 HydrophobicContact CG2-CE1 4.42Å; V110-F128 HydrophobicContact CG2-CE2 4.29Å; V110-F128 HydrophobicContact CG2-CZ 4.05Å; E124-F128 HydrophobicContact CB-CD2 4.35Å; E124-F128 HydrophobicContact CB-CE2 4.08Å; E124-F128 WeakPolarHBondContact O-CD2 3.47Å; E124-F128 PolarHBondContact O-N 2.75Å; E125-F128 PolarHBondContact O-N 2.94Å; F128-M130 VanDerWaalsContact C-N 3.29Å; F128-M130 PolarHBondContact O-N 2.93Å; F128-A131 PolarHBondContact O-N 3.03Å; F128-A131 VanDerWaalsContact O-N 3.14Å; F128-E132 PolarHBondContact O-N 3.37Å |
| 129 | N | 90.9 | Very high | 87.2 | Confident | 58 Ų | 58 | 83.6 Ų | 83.6 | 31% | 0.31 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 175.5 | -79.5 | -37.8 | 0 | 0 | 0 | 112.2 | E125 V126 K133 | E125-N129 WeakPolarHBondContact O-CB 3.48Å; E125-N129 PolarHBondContact O-N 2.81Å; E125-N129 PolarHBondContact O-ND2 3.34Å; V126-N129 PolarHBondContact O-N 3.44Å; N129-K133 WeakPolarHBondContact O-CB 3.3Å; N129-K133 WeakPolarHBondContact O-CG 3.48Å; N129-K133 PolarHBondContact O-N 2.85Å |
| 130 | M | 91.6 | Very high | 87.5 | Confident | 76 Ų | 76 | 85.2 Ų | 85.2 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 173.6 | -76.9 | -177 | 72.9 | 0 | 0 | 111 | L19 P20 V126 I127 F128 E132 K133 M134 | L19-M130 HydrophobicContact CD2-CB 3.82Å; P20-M130 VanDerWaalsContact CD-SD 3.57Å; P20-M130 HydrophobicContact CG-CE 4.21Å; P20-M130 HydrophobicContact CG-SD 3.62Å; V126-M130 HydrophobicContact CG1-CG 4.38Å; V126-M130 HydrophobicContact CG1-SD 4.24Å; V126-M130 WeakPolarHBondContact O-CB 3.48Å; V126-M130 VanDerWaalsContact O-CG 3.23Å; V126-M130 WeakPolarHBondContact O-CG 3.23Å; V126-M130 PolarHBondContact O-N 2.82Å; I127-M130 PolarHBondContact O-N 3.25Å; F128-M130 VanDerWaalsContact C-N 3.29Å; F128-M130 PolarHBondContact O-N 2.93Å; M130-E132 VanDerWaalsContact C-N 3.31Å; M130-E132 PolarHBondContact O-N 3.18Å; M130-K133 PolarHBondContact O-N 3.39Å; M130-M134 WeakPolarHBondContact O-CA 3.1Å; M130-M134 WeakPolarHBondContact O-CB 3.47Å; M130-M134 PolarHBondContact O-N 3.34Å |
| 131 | A | 91.5 | Very high | 87.4 | Confident | 38 Ų | 38 | 80.8 Ų | 80.8 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L19 V106 I127 F128 | L19-A131 HydrophobicContact CD1-CB 3.96Å; L19-A131 HydrophobicContact CD2-CB 4.07Å; V106-A131 HydrophobicContact CB-CB 4.05Å; V106-A131 HydrophobicContact CG2-CB 3.67Å; I127-A131 WeakPolarHBondContact O-CB 3.45Å; I127-A131 PolarHBondContact O-N 3.37Å; F128-A131 PolarHBondContact O-N 3.03Å; F128-A131 VanDerWaalsContact O-N 3.14Å |
| 132 | E | 88.1 | Confident | 86.9 | Confident | 138 Ų | 138 | 75.2 Ų | 75.2 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -68.5 | -36.9 | 176.8 | -165.5 | -169.1 | 173.7 | 0 | 0 | 112.5 | F128 M130 | F128-E132 PolarHBondContact O-N 3.37Å; M130-E132 VanDerWaalsContact C-N 3.31Å; M130-E132 PolarHBondContact O-N 3.18Å |
| 133 | K | 87.5 | Confident | 86.2 | Confident | 150 Ų | 150 | 81.8 Ų | 81.8 | 65% | 0.652 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -93.9 | -22 | -173.3 | -67.7 | 173.9 | -175.3 | 167 | 0 | 114.1 | N129 M130 Q135 | N129-K133 WeakPolarHBondContact O-CB 3.3Å; N129-K133 WeakPolarHBondContact O-CG 3.48Å; N129-K133 PolarHBondContact O-N 2.85Å; M130-K133 PolarHBondContact O-N 3.39Å; K133-Q135 PolarHBondContact O-N 3.17Å |
| 134 | M | 88.1 | Confident | 85.5 | Confident | 47 Ų | 47 | 80.3 Ų | 80.3 | 23% | 0.232 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -71 | 118.4 | -174.4 | 178.1 | 174 | 161.2 | 0 | 0 | 109.7 | V17 G18 L19 M130 M136 | V17-M134 HydrophobicContact CG1-CE 3.74Å; G18-M134 VanDerWaalsContact CA-CE 3.41Å; L19-M134 HydrophobicContact CD2-SD 3.81Å; L19-M134 HydrophobicContact CG-SD 4.2Å; M130-M134 WeakPolarHBondContact O-CA 3.1Å; M130-M134 WeakPolarHBondContact O-CB 3.47Å; M130-M134 PolarHBondContact O-N 3.34Å; M134-M136 HydrophobicContact CE-CE 3.7Å; M134-M136 HydrophobicContact CE-SD 4.14Å |
| 135 | Q | 83.8 | Confident | 85.1 | Confident | 111 Ų | 111 | 76.4 Ų | 76.4 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -90 | 132.3 | 172.5 | -63.8 | -178.9 | -0.8 | 0 | 0 | 108.3 | K133 | K133-Q135 PolarHBondContact O-N 3.17Š|
| 136 | M | 84.3 | Confident | 84.6 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -72 | 152.2 | 168.6 | -73.9 | -65.4 | 167.2 | 0 | 0 | 109.5 | A101 Q103 M134 D138 L150 | A101-M136 HydrophobicContact CB-SD 4.32Å; Q103-M136 HydrophobicContact CB-CE 4.16Å; Q103-M136 HydrophobicContact CG-CE 4.09Å; M134-M136 HydrophobicContact CE-CE 3.7Å; M134-M136 HydrophobicContact CE-SD 4.14Å; M136-D138 PolarHBondContact O-N 2.85Å; M136-L150 HydrophobicContact SD-CD1 4.31Å |
| 137 | P | 85.5 | Confident | 84.4 | Confident | 31 Ų | 31 | 75.3 Ų | 75.3 | 20% | 0.201 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 137.3 | 178.1 | -29.3 | 40.1 | 0 | 0 | 0 | 112.2 | Q99 A101 E145 T148 | Q99-P137 HydrophobicContact CG-CG 4.47Å; A101-P137 HydrophobicContact CB-CG 3.91Å; P137-E145 WeakPolarHBondContact CA-OE2 3.43Å; P137-E145 HydrophobicContact CB-CB 4.25Å; P137-E145 HydrophobicContact CB-CG 4.43Å; P137-T148 HydrophobicContact CB-CG2 3.79Å; P137-T148 HydrophobicContact CG-CG2 3.78Å |
| 138 | D | 81.6 | Confident | 84.2 | Confident | 67 Ų | 67 | 77 Ų | 77 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | trans | -130.5 | 89.6 | -177.7 | -177.6 | -1.9 | 0 | 0 | 0 | 109.6 | M136 S140 R141 F142 E145 | M136-D138 PolarHBondContact O-N 2.85Å; D138-S140 PolarHBondContact O-N 3.4Å; D138-S140 VanDerWaalsContact OD1-CB 3.27Å; D138-S140 WeakPolarHBondContact OD1-CB 3.47Å; D138-S140 PolarHBondContact OD1-N 2.87Å; D138-S140 PolarHBondContact OD1-OG 3.16Å; D138-S140 PolarHBondContact OD2-OG 2.78Å; D138-R141 HydrophobicContact CB-CB 4.13Å; D138-R141 PolarHBondContact O-N 3.16Å; D138-R141 PolarHBondContact OD1-N 3.12Å; D138-R141 WeakPolarHBondContact OD2-CB 3.32Å; D138-F142 PolarHBondContact O-N 3.17Å; D138-E145 PolarHBondContact N-OE2 3.4Å | ||
| 139 | A | 78.5 | Confident | 84.1 | Confident | 42 Ų | 42 | 73.8 Ų | 73.8 | 35% | 0.347 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R146 | A139-R146 HydrophobicContact CB-CB 4.44Å; A139-R146 HydrophobicContact CB-CG 3.89Å |
| 140 | S | 76.9 | Confident | 84 | Confident | 105 Ų | 105 | 74.9 Ų | 74.9 | 73% | 0.734 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -33.2 | 173.7 | 81.4 | 0 | 0 | 0 | 0 | 111.5 | D138 | D138-S140 PolarHBondContact O-N 3.4Å; D138-S140 VanDerWaalsContact OD1-CB 3.27Å; D138-S140 WeakPolarHBondContact OD1-CB 3.47Å; D138-S140 PolarHBondContact OD1-N 2.87Å; D138-S140 PolarHBondContact OD1-OG 3.16Å; D138-S140 PolarHBondContact OD2-OG 2.78Å |
| 141 | R | 75.1 | Confident | 83.9 | Confident | 49 Ų | 49 | 71.7 Ų | 71.7 | 19% | 0.185 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -40.1 | -179.6 | -171.9 | 175 | -179.2 | -158.4 | -2.7 | 112.6 | D138 | D138-R141 HydrophobicContact CB-CB 4.13Å; D138-R141 PolarHBondContact O-N 3.16Å; D138-R141 PolarHBondContact OD1-N 3.12Å; D138-R141 WeakPolarHBondContact OD2-CB 3.32Å |
| 142 | F | 77.5 | Confident | 83.5 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 13% | 0.132 | 36% | 0.363 | C | S | . | . | trans | -124.4 | 108.8 | -175.7 | -60.6 | -65.6 | 0 | 0 | 0 | 110.9 | D138 W144 E145 | D138-F142 PolarHBondContact O-N 3.17Å; F142-W144 HydrophobicContact CB-CZ2 4.38Å; F142-W144 HydrophobicContact CG-CZ2 4.5Å; F142-W144 PolarHBondContact O-N 3.24Å; F142-W144 VanDerWaalsContact O-N 3.13Å; F142-E145 HydrophobicContact CB-CB 4.25Å; F142-E145 HydrophobicContact CB-CG 3.8Å; F142-E145 WeakPolarHBondContact CD2-OE2 3.35Å; F142-E145 WeakPolarHBondContact O-CB 3.12Å; F142-E145 PolarHBondContact O-N 3.43Å | ||
| 143 | R | 73.5 | Confident | 82.9 | Confident | 175 Ų | 175 | 80.1 Ų | 80.1 | 66% | 0.66 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -55.4 | -35.4 | -176.9 | -172.2 | -173 | -65.7 | -166.4 | 0.9 | 113.2 | E145 R146 | R143-E145 PolarHBondContact O-N 3.46Å; R143-R146 WeakPolarHBondContact O-CB 3.39Å; R143-R146 WeakPolarHBondContact O-CD 3.49Å; R143-R146 VanDerWaalsContact O-CG 3.26Å; R143-R146 WeakPolarHBondContact O-CG 3.15Å; R143-R146 PolarHBondContact O-N 3.45Å |
| 144 | W | 76.4 | Confident | 82 | Confident | 92 Ų | 92 | 75.3 Ų | 75.3 | 35% | 0.348 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -71.5 | -16.3 | 179.8 | 60.4 | -92.9 | 0 | 0 | 0 | 112.9 | F97 F142 R146 | F97-W144 AromaticContact CE1-CE3 3.78Å; F97-W144 HydrophobicContact CE1-CE3 3.78Å; F97-W144 HydrophobicContact CE1-CZ3 4.35Å; F97-W144 WeakPolarHBondContact CE1-O 3.39Å; F97-W144 AromaticContact CZ-CE3 3.88Å; F97-W144 HydrophobicContact CZ-CE3 3.88Å; F97-W144 HydrophobicContact CZ-CZ3 4.09Å; F142-W144 HydrophobicContact CB-CZ2 4.38Å; F142-W144 HydrophobicContact CG-CZ2 4.5Å; F142-W144 PolarHBondContact O-N 3.24Å; F142-W144 VanDerWaalsContact O-N 3.13Å; W144-R146 VanDerWaalsContact C-N 3.28Å; W144-R146 PolarHBondContact O-N 3.04Å |
| 145 | E | 84.4 | Confident | 81 | Confident | 22 Ų | 22 | 78 Ų | 78 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -83.8 | 0.2 | 174.1 | -64 | -174.4 | 150.7 | 0 | 0 | 113.1 | P137 D138 F142 R143 N147 T148 | P137-E145 WeakPolarHBondContact CA-OE2 3.43Å; P137-E145 HydrophobicContact CB-CB 4.25Å; P137-E145 HydrophobicContact CB-CG 4.43Å; D138-E145 PolarHBondContact N-OE2 3.4Å; F142-E145 HydrophobicContact CB-CB 4.25Å; F142-E145 HydrophobicContact CB-CG 3.8Å; F142-E145 WeakPolarHBondContact CD2-OE2 3.35Å; F142-E145 WeakPolarHBondContact O-CB 3.12Å; F142-E145 PolarHBondContact O-N 3.43Å; R143-E145 PolarHBondContact O-N 3.46Å; E145-N147 PolarHBondContact O-N 3.32Å; E145-T148 VanDerWaalsContact O-CB 3.27Å; E145-T148 WeakPolarHBondContact O-CB 3.25Å; E145-T148 PolarHBondContact O-N 2.96Å; E145-T148 PolarHBondContact O-OG1 3.15Å |
| 146 | R | 83.1 | Confident | 80.7 | Confident | 173 Ų | 173 | 76.3 Ų | 76.3 | 65% | 0.653 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -59.2 | -36 | 174.8 | -76.2 | 176.6 | 179.8 | -174.8 | -1.9 | 112.8 | A139 R143 W144 T148 | A139-R146 HydrophobicContact CB-CB 4.44Å; A139-R146 HydrophobicContact CB-CG 3.89Å; R143-R146 WeakPolarHBondContact O-CB 3.39Å; R143-R146 WeakPolarHBondContact O-CD 3.49Å; R143-R146 VanDerWaalsContact O-CG 3.26Å; R143-R146 WeakPolarHBondContact O-CG 3.15Å; R143-R146 PolarHBondContact O-N 3.45Å; W144-R146 VanDerWaalsContact C-N 3.28Å; W144-R146 PolarHBondContact O-N 3.04Å; R146-T148 PolarHBondContact O-N 3.23Å; R146-T148 VanDerWaalsContact O-N 3.09Å |
| 147 | N | 86.6 | Confident | 80.5 | Confident | 11 Ų | 11 | 78.4 Ų | 78.4 | 6% | 0.059 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -87.6 | 60.6 | 175.3 | -159.4 | 13.9 | 0 | 0 | 0 | 110.9 | F97 G98 Q99 E145 F166 E173 | F97-N147 PolarHBondContact O-ND2 3.4Å; G98-N147 CarbonylContact C-O 3.57Å; G98-N147 WeakPolarHBondContact CA-O 3.48Å; Q99-N147 PolarHBondContact N-O 2.89Å; E145-N147 PolarHBondContact O-N 3.32Å; N147-F166 WeakPolarHBondContact OD1-CE2 3.29Å; N147-E173 WeakPolarHBondContact CB-OE2 3.18Å; N147-E173 PolarHBondContact ND2-OE2 3.41Å; N147-E173 PolarHBondContact OD1-OE2 3.37Å |
| 148 | T | 90 | Very high | 80.3 | Confident | 36 Ų | 36 | 84.3 Ų | 84.3 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.4 | 177.3 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | Q99 A101 P137 E145 R146 | Q99-T148 HydrophobicContact CB-CG2 4.34Å; Q99-T148 HydrophobicContact CG-CG2 4.24Å; Q99-T148 PolarHBondContact NE2-OG1 2.81Å; Q99-T148 CarbonylContact O-C 3.6Å; Q99-T148 WeakPolarHBondContact O-CA 3.38Å; A101-T148 HydrophobicContact CB-CG2 4.21Å; P137-T148 HydrophobicContact CB-CG2 3.79Å; P137-T148 HydrophobicContact CG-CG2 3.78Å; E145-T148 VanDerWaalsContact O-CB 3.27Å; E145-T148 WeakPolarHBondContact O-CB 3.25Å; E145-T148 PolarHBondContact O-N 2.96Å; E145-T148 PolarHBondContact O-OG1 3.15Å; R146-T148 PolarHBondContact O-N 3.23Å; R146-T148 VanDerWaalsContact O-N 3.09Å |
| 149 | L | 90.7 | Very high | 80.5 | Confident | 23 Ų | 23 | 81.7 Ų | 81.7 | 12% | 0.12 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 116.4 | 164.3 | -179 | 63.4 | 0 | 0 | 0 | 110.3 | Q99 I100 A101 L151 L162 V163 F166 | Q99-L149 PolarHBondContact O-N 2.85Å; I100-L149 CarbonylContact C-O 3.55Å; I100-L149 WeakPolarHBondContact CA-O 3.32Å; I100-L149 HydrophobicContact CG1-CB 4.33Å; A101-L149 PolarHBondContact N-O 3.35Å; L149-L151 HydrophobicContact CD1-CD2 4.38Å; L149-L151 HydrophobicContact CD2-CD2 3.8Å; L149-L151 HydrophobicContact CD2-CG 4.22Å; L149-L151 HydrophobicContact CG-CD2 3.85Å; L149-L151 HydrophobicContact CG-CG 4.13Å; L149-L162 HydrophobicContact CD1-CD2 4.18Å; L149-L162 HydrophobicContact CD1-CG 4.28Å; L149-V163 HydrophobicContact CD2-CB 4.46Å; L149-V163 HydrophobicContact CD2-CG2 3.92Å; L149-F166 HydrophobicContact CB-CD1 3.88Å; L149-F166 HydrophobicContact CB-CD2 3.81Å; L149-F166 HydrophobicContact CB-CE1 3.92Å; L149-F166 HydrophobicContact CB-CE2 3.83Å; L149-F166 HydrophobicContact CB-CG 3.83Å; L149-F166 HydrophobicContact CB-CZ 3.89Å; L149-F166 HydrophobicContact CD2-CB 3.83Å; L149-F166 HydrophobicContact CD2-CD1 4.03Å; L149-F166 HydrophobicContact CD2-CG 3.87Å; L149-F166 HydrophobicContact CG-CG 4.39Å |
| 150 | L | 89.6 | Confident | 80.9 | Confident | 81 Ų | 81 | 80.6 Ų | 80.6 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 111.8 | 174 | -178.1 | 65.7 | 0 | 0 | 0 | 110.5 | A101 Q103 M136 K152 | A101-L150 HydrophobicContact CB-CD1 3.84Å; Q103-L150 HydrophobicContact CB-CD1 4.07Å; M136-L150 HydrophobicContact SD-CD1 4.31Å; L150-K152 HydrophobicContact CG-CG 4.44Å |
| 151 | L | 89.1 | Confident | 81.4 | Confident | 8 Ų | 8 | 80.5 Ų | 80.5 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 107.9 | 178.5 | -63.5 | 178.3 | 0 | 0 | 0 | 110.3 | L27 I100 A101 Q103 L149 L154 V163 | L27-L151 HydrophobicContact CD2-CD1 3.43Å; L27-L151 VanDerWaalsContact CD2-CD1 3.43Å; I100-L151 HydrophobicContact CG2-CD1 3.37Å; I100-L151 HydrophobicContact CG2-CG 3.93Å; A101-L151 PolarHBondContact O-N 3.26Å; Q103-L151 PolarHBondContact N-O 3.27Å; L149-L151 HydrophobicContact CD1-CD2 4.38Å; L149-L151 HydrophobicContact CD2-CD2 3.8Å; L149-L151 HydrophobicContact CD2-CG 4.22Å; L149-L151 HydrophobicContact CG-CD2 3.85Å; L149-L151 HydrophobicContact CG-CG 4.13Å; L151-L154 HydrophobicContact CD1-CD1 4.09Å; L151-L154 HydrophobicContact CD1-CD2 4.21Å; L151-L154 HydrophobicContact CD1-CG 4.34Å; L151-V163 HydrophobicContact CD1-CG2 3.66Å; L151-V163 HydrophobicContact CD2-CG2 3.94Å; L151-V163 HydrophobicContact CG-CG2 4.42Å |
| 152 | K | 83.7 | Confident | 82 | Confident | 143 Ų | 143 | 82.7 Ų | 82.7 | 62% | 0.622 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -86 | -35 | 177.8 | -63.4 | -173 | 175.8 | 177.2 | 0 | 112.9 | L150 | L150-K152 HydrophobicContact CG-CG 4.44Š|
| 153 | R | 74.3 | Confident | 82.7 | Confident | 210 Ų | 210 | 81.2 Ų | 81.2 | 79% | 0.792 | 38% | 0.379 | S | S | * | . | trans | -147.4 | 140 | 179.1 | -68.1 | -172.6 | -73.5 | -154.9 | -0.6 | 108.5 | T155 | R153-T155 HydrophobicContact CB-CG2 4.3Š| ||
| 154 | L | 69.2 | Low | 83.4 | Confident | 49 Ų | 49 | 75.6 Ų | 75.6 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | trans | -120.8 | 95 | 170.3 | -78.5 | 157.4 | 0 | 0 | 0 | 105.9 | L27 L151 F160 V163 | L27-L154 HydrophobicContact CB-CD1 4.34Å; L27-L154 HydrophobicContact CD1-CD1 4.21Å; L27-L154 HydrophobicContact CD1-CD2 4.22Å; L27-L154 HydrophobicContact CD2-CD1 3.88Å; L27-L154 HydrophobicContact CG-CD1 4.37Å; L151-L154 HydrophobicContact CD1-CD1 4.09Å; L151-L154 HydrophobicContact CD1-CD2 4.21Å; L151-L154 HydrophobicContact CD1-CG 4.34Å; L154-F160 HydrophobicContact CD2-CD1 4.37Å; L154-F160 HydrophobicContact CD2-CE1 4.27Å; L154-V163 HydrophobicContact CD2-CG2 4.36Å | ||
| 155 | T | 66.4 | Low | 83.9 | Confident | 105 Ų | 105 | 74.3 Ų | 74.3 | 64% | 0.644 | 36% | 0.363 | S | S | * | . | trans | -114.3 | -23.1 | -171.5 | 40.3 | 0 | 0 | 0 | 0 | 113.8 | R153 | R153-T155 HydrophobicContact CB-CG2 4.3Š| ||
| 156 | D | 77.4 | Confident | 84.2 | Confident | 74 Ų | 74 | 73.9 Ų | 73.9 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -151.6 | 173.3 | -164 | 44.9 | 50.7 | 0 | 0 | 0 | 111.8 | E158 G159 F160 | D156-E158 PolarHBondContact O-N 2.95Å; D156-E158 PolarHBondContact OD1-N 2.9Å; D156-G159 PolarHBondContact O-N 2.74Å; D156-G159 PolarHBondContact OD1-N 3.33Å; D156-F160 WeakPolarHBondContact O-CD2 2.97Å; D156-F160 PolarHBondContact O-N 3.07Å |
| 157 | D | 80.6 | Confident | 84.5 | Confident | 120 Ų | 120 | 66.8 Ų | 66.8 | 64% | 0.642 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63 | -29.5 | 178.4 | -67.3 | -31.9 | 0 | 0 | 0 | 112.5 | F160 L161 | D157-F160 PolarHBondContact O-N 3.25Å; D157-L161 WeakPolarHBondContact O-CG 3.42Å; D157-L161 PolarHBondContact O-N 3.39Å |
| 158 | E | 81.9 | Confident | 84.5 | Confident | 155 Ų | 155 | 68.8 Ų | 68.8 | 72% | 0.724 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.4 | -44.5 | 176.5 | -172.1 | 179.6 | 179.8 | 0 | 0 | 111.1 | D156 F160 L161 L162 | D156-E158 PolarHBondContact O-N 2.95Å; D156-E158 PolarHBondContact OD1-N 2.9Å; E158-F160 VanDerWaalsContact C-N 3.28Å; E158-F160 PolarHBondContact O-N 2.74Å; E158-L161 PolarHBondContact O-N 2.9Å; E158-L162 PolarHBondContact O-N 3.49Å |
| 159 | G | 84.7 | Confident | 84.3 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.8 | -39.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D156 V163 | D156-G159 PolarHBondContact O-N 2.74Å; D156-G159 PolarHBondContact OD1-N 3.33Å; G159-V163 WeakPolarHBondContact O-CG2 3.44Å; G159-V163 PolarHBondContact O-N 3.07Å |
| 160 | F | 88.5 | Confident | 84.2 | Confident | 18 Ų | 18 | 70.4 Ų | 70.4 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.6 | -37.2 | 176.7 | -67.4 | -62.3 | 0 | 0 | 0 | 112.9 | F26 L27 K30 M31 I34 L154 D156 D157 E158 L162 V163 R164 | F26-F160 HydrophobicContact CE1-CE1 4.32Å; F26-F160 AromaticContact CE1-CZ 3.88Å; F26-F160 HydrophobicContact CE1-CZ 3.88Å; F26-F160 HydrophobicContact CZ-CZ 4.31Å; L27-F160 HydrophobicContact CD1-CD1 3.88Å; L27-F160 HydrophobicContact CD1-CE1 3.87Å; K30-F160 HydrophobicContact CB-CD1 4.43Å; K30-F160 HydrophobicContact CB-CE1 4.05Å; K30-F160 HydrophobicContact CG-CD1 3.73Å; K30-F160 HydrophobicContact CG-CE1 3.57Å; K30-F160 HydrophobicContact CG-CE2 4.44Å; K30-F160 HydrophobicContact CG-CG 4.25Å; K30-F160 HydrophobicContact CG-CZ 3.95Å; M31-F160 HydrophobicContact CE-CB 3.92Å; M31-F160 HydrophobicContact CE-CD1 3.58Å; M31-F160 HydrophobicContact CE-CG 4.2Å; I34-F160 HydrophobicContact CD1-CB 3.84Å; I34-F160 HydrophobicContact CD1-CG 4.36Å; L154-F160 HydrophobicContact CD2-CD1 4.37Å; L154-F160 HydrophobicContact CD2-CE1 4.27Å; D156-F160 WeakPolarHBondContact O-CD2 2.97Å; D156-F160 PolarHBondContact O-N 3.07Å; D157-F160 PolarHBondContact O-N 3.25Å; E158-F160 VanDerWaalsContact C-N 3.28Å; E158-F160 PolarHBondContact O-N 2.74Å; F160-L162 VanDerWaalsContact C-N 3.34Å; F160-V163 PolarHBondContact O-N 3.26Å; F160-R164 PolarHBondContact O-N 3.2Å |
| 161 | L | 85.7 | Confident | 83.9 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 54% | 0.539 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65 | -38 | 173.9 | -72.5 | 173.2 | 0 | 0 | 0 | 111.9 | D157 E158 R164 S165 | D157-L161 WeakPolarHBondContact O-CG 3.42Å; D157-L161 PolarHBondContact O-N 3.39Å; E158-L161 PolarHBondContact O-N 2.9Å; L161-R164 WeakPolarHBondContact O-CB 3.4Å; L161-R164 PolarHBondContact O-N 3.29Å; L161-S165 PolarHBondContact O-N 3.41Å; L161-S165 PolarHBondContact O-OG 2.93Å; L161-S165 VanDerWaalsContact O-OG 3.11Å |
| 162 | L | 89 | Confident | 83.4 | Confident | 95 Ų | 95 | 72.1 Ų | 72.1 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 173 | 177.8 | 62.8 | 0 | 0 | 0 | 111.3 | L149 E158 F160 R164 S165 F166 | L149-L162 HydrophobicContact CD1-CD2 4.18Å; L149-L162 HydrophobicContact CD1-CG 4.28Å; E158-L162 PolarHBondContact O-N 3.49Å; F160-L162 VanDerWaalsContact C-N 3.34Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 2.94Å; L162-S165 PolarHBondContact O-N 3.15Å; L162-F166 WeakPolarHBondContact O-CB 3.12Å; L162-F166 PolarHBondContact O-N 3.47Å |
| 163 | V | 91.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 176.1 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | L27 M31 I100 L149 L151 L154 G159 F160 S165 F166 L167 | L27-V163 HydrophobicContact CD1-CG1 4.22Å; L27-V163 HydrophobicContact CD1-CG2 4.23Å; L27-V163 HydrophobicContact CD2-CG1 4.46Å; L27-V163 HydrophobicContact CD2-CG2 4.35Å; M31-V163 HydrophobicContact CE-CB 4.05Å; M31-V163 HydrophobicContact CE-CG1 4.08Å; M31-V163 HydrophobicContact CG-CG1 3.89Å; M31-V163 HydrophobicContact SD-CB 3.97Å; M31-V163 HydrophobicContact SD-CG1 3.52Å; M31-V163 VanDerWaalsContact SD-CG1 3.52Å; I100-V163 HydrophobicContact CD1-CG1 3.86Å; L149-V163 HydrophobicContact CD2-CB 4.46Å; L149-V163 HydrophobicContact CD2-CG2 3.92Å; L151-V163 HydrophobicContact CD1-CG2 3.66Å; L151-V163 HydrophobicContact CD2-CG2 3.94Å; L151-V163 HydrophobicContact CG-CG2 4.42Å; L154-V163 HydrophobicContact CD2-CG2 4.36Å; G159-V163 WeakPolarHBondContact O-CG2 3.44Å; G159-V163 PolarHBondContact O-N 3.07Å; F160-V163 PolarHBondContact O-N 3.26Å; V163-S165 PolarHBondContact O-N 2.93Å; V163-F166 PolarHBondContact O-N 3.42Å; V163-L167 HydrophobicContact CG1-CD1 4.04Å; V163-L167 HydrophobicContact CG1-CG 4.28Å; V163-L167 VanDerWaalsContact O-CG 3.27Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.03Å |
| 164 | R | 88.8 | Confident | 82.1 | Confident | 56 Ų | 56 | 60.1 Ų | 60.1 | 21% | 0.211 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.8 | -51.4 | 175.5 | -179.4 | -174 | 169.7 | -79.5 | -0.2 | 111.4 | I34 F35 D38 F160 L161 L162 F166 L167 I168 | I34-R164 HydrophobicContact CG2-CG 4.44Å; F35-R164 HydrophobicContact CE1-CG 4.17Å; F35-R164 HydrophobicContact CE2-CB 4.48Å; F35-R164 HydrophobicContact CE2-CG 4.03Å; F35-R164 HydrophobicContact CZ-CB 4.45Å; F35-R164 HydrophobicContact CZ-CG 3.66Å; D38-R164 IonicContact OD2-CZ 3.26Å; D38-R164 VanDerWaalsContact OD2-CZ 3.26Å; D38-R164 IonicContact OD2-NE 3.01Å; D38-R164 PolarHBondContact OD2-NE 3.42Å; D38-R164 IonicContact OD2-NH2 2.67Å; D38-R164 PolarHBondContact OD2-NH2 3.04Å; F160-R164 PolarHBondContact O-N 3.2Å; L161-R164 WeakPolarHBondContact O-CB 3.4Å; L161-R164 PolarHBondContact O-N 3.29Å; L162-R164 VanDerWaalsContact C-N 3.34Å; L162-R164 PolarHBondContact O-N 2.94Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 PolarHBondContact O-N 2.75Å; R164-L167 PolarHBondContact O-N 3.25Å; R164-L167 VanDerWaalsContact O-N 3.17Å; R164-I168 HydrophobicContact CG-CD1 4.2Å; R164-I168 WeakPolarHBondContact O-CG1 3.38Å; R164-I168 PolarHBondContact O-N 2.92Å |
| 165 | S | 87.4 | Confident | 81.7 | Confident | 65 Ų | 65 | 60.2 Ų | 60.2 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 180 | -63.7 | 0 | 0 | 0 | 0 | 112 | L161 L162 V163 I168 Q169 | L161-S165 PolarHBondContact O-N 3.41Å; L161-S165 PolarHBondContact O-OG 2.93Å; L161-S165 VanDerWaalsContact O-OG 3.11Å; L162-S165 PolarHBondContact O-N 3.15Å; V163-S165 PolarHBondContact O-N 2.93Å; S165-I168 PolarHBondContact O-N 2.97Å; S165-Q169 PolarHBondContact O-N 2.99Å |
| 166 | F | 90.3 | Very high | 81.1 | Confident | 14 Ų | 14 | 61 Ų | 61 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 174.2 | 174.8 | -99.2 | 0 | 0 | 0 | 112.6 | V14 Q99 I100 N147 L149 L162 V163 R164 I168 Q169 C170 | V14-F166 HydrophobicContact CG1-CE1 4.48Å; Q99-F166 WeakPolarHBondContact O-CZ 3.3Å; I100-F166 HydrophobicContact CD1-CD1 4.07Å; I100-F166 HydrophobicContact CD1-CE1 4.17Å; I100-F166 HydrophobicContact CG1-CD1 3.9Å; I100-F166 HydrophobicContact CG1-CE1 3.59Å; N147-F166 WeakPolarHBondContact OD1-CE2 3.29Å; L149-F166 HydrophobicContact CB-CD1 3.88Å; L149-F166 HydrophobicContact CB-CD2 3.81Å; L149-F166 HydrophobicContact CB-CE1 3.92Å; L149-F166 HydrophobicContact CB-CE2 3.83Å; L149-F166 HydrophobicContact CB-CG 3.83Å; L149-F166 HydrophobicContact CB-CZ 3.89Å; L149-F166 HydrophobicContact CD2-CB 3.83Å; L149-F166 HydrophobicContact CD2-CD1 4.03Å; L149-F166 HydrophobicContact CD2-CG 3.87Å; L149-F166 HydrophobicContact CG-CG 4.39Å; L162-F166 WeakPolarHBondContact O-CB 3.12Å; L162-F166 PolarHBondContact O-N 3.47Å; V163-F166 PolarHBondContact O-N 3.42Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 PolarHBondContact O-N 2.75Å; F166-I168 VanDerWaalsContact C-N 3.28Å; F166-I168 PolarHBondContact O-N 3.23Å; F166-Q169 WeakPolarHBondContact O-CB 3.45Å; F166-Q169 PolarHBondContact O-N 3.4Å; F166-C170 PolarHBondContact O-N 3.13Å; F166-C170 PolarHBondContact O-SG 3.09Å |
| 167 | L | 89.4 | Confident | 79.7 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.12 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 177.6 | -70.1 | 174.4 | 0 | 0 | 0 | 111.9 | V14 M31 F35 I100 V163 R164 C170 F171 | V14-L167 HydrophobicContact CB-CD2 4.01Å; V14-L167 HydrophobicContact CG1-CD2 3.8Å; V14-L167 HydrophobicContact CG2-CD2 3.67Å; M31-L167 HydrophobicContact CB-CD1 4.2Å; M31-L167 HydrophobicContact CG-CD1 3.84Å; M31-L167 HydrophobicContact SD-CD1 3.84Å; F35-L167 HydrophobicContact CE2-CB 4.18Å; F35-L167 HydrophobicContact CE2-CD1 3.71Å; F35-L167 HydrophobicContact CZ-CB 4.06Å; F35-L167 HydrophobicContact CZ-CD1 4.44Å; I100-L167 HydrophobicContact CD1-CD2 4.02Å; V163-L167 HydrophobicContact CG1-CD1 4.04Å; V163-L167 HydrophobicContact CG1-CG 4.28Å; V163-L167 VanDerWaalsContact O-CG 3.27Å; V163-L167 WeakPolarHBondContact O-CG 3.37Å; V163-L167 PolarHBondContact O-N 3.03Å; R164-L167 PolarHBondContact O-N 3.25Å; R164-L167 VanDerWaalsContact O-N 3.17Å; L167-C170 WeakPolarHBondContact O-CB 3.39Å; L167-C170 PolarHBondContact O-N 3.12Å; L167-F171 WeakPolarHBondContact O-CD2 3.44Å |
| 168 | I | 87.1 | Confident | 77.9 | Confident | 53 Ų | 53 | 59.8 Ų | 59.8 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.5 | -45.2 | 173.1 | -65.5 | 168 | 0 | 0 | 0 | 110.5 | F35 R164 S165 F166 C170 F171 | F35-I168 HydrophobicContact CE1-CD1 4.32Å; F35-I168 HydrophobicContact CE1-CG1 4.07Å; F35-I168 HydrophobicContact CZ-CG1 4.1Å; R164-I168 HydrophobicContact CG-CD1 4.2Å; R164-I168 WeakPolarHBondContact O-CG1 3.38Å; R164-I168 PolarHBondContact O-N 2.92Å; S165-I168 PolarHBondContact O-N 2.97Å; F166-I168 VanDerWaalsContact C-N 3.28Å; F166-I168 PolarHBondContact O-N 3.23Å; I168-C170 PolarHBondContact O-N 3.34Å; I168-F171 WeakPolarHBondContact O-CB 3.37Å; I168-F171 PolarHBondContact O-N 2.8Å |
| 169 | Q | 85.7 | Confident | 75.8 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.3 | -31.6 | 177 | 177.9 | -179.2 | -15.4 | 0 | 0 | 112.7 | S165 F166 F171 S172 E173 | S165-Q169 PolarHBondContact O-N 2.99Å; F166-Q169 WeakPolarHBondContact O-CB 3.45Å; F166-Q169 PolarHBondContact O-N 3.4Å; Q169-F171 PolarHBondContact O-N 3.44Å; Q169-F171 VanDerWaalsContact O-N 3.08Å; Q169-S172 WeakPolarHBondContact O-CB 3.17Å; Q169-S172 PolarHBondContact O-N 3.27Å; Q169-E173 PolarHBondContact NE2-OE1 3.03Å; Q169-E173 PolarHBondContact O-N 2.94Å |
| 170 | C | 87.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58 | -23.6 | 176.8 | -67.4 | 0 | 0 | 0 | 0 | 113.2 | A12 V14 G96 F166 L167 I168 | A12-C170 HydrophobicContact CB-CB 3.88Å; V14-C170 HydrophobicContact CG2-CB 4.31Å; G96-C170 WeakPolarHBondContact CA-O 3.23Å; F166-C170 PolarHBondContact O-N 3.13Å; F166-C170 PolarHBondContact O-SG 3.09Å; L167-C170 WeakPolarHBondContact O-CB 3.39Å; L167-C170 PolarHBondContact O-N 3.12Å; I168-C170 PolarHBondContact O-N 3.34Å |
| 171 | F | 84.6 | Confident | 71.6 | Confident | 48 Ų | 48 | 69.8 Ų | 69.8 | 21% | 0.211 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -73.9 | -29.8 | 173.6 | -69.3 | -85.4 | 0 | 0 | 0 | 112.4 | G8 C9 A12 V44 L167 I168 Q169 | G8-F171 CarbonylContact C-O 3.58Å; G8-F171 VanDerWaalsContact CA-O 3.27Å; G8-F171 WeakPolarHBondContact CA-O 3.27Å; C9-F171 HydrophobicContact CB-CD1 4.49Å; C9-F171 WeakPolarHBondContact CB-O 3.06Å; C9-F171 PolarHBondContact N-O 3.49Å; C9-F171 VanDerWaalsContact O-CD1 3.22Å; C9-F171 WeakPolarHBondContact O-CD1 3.28Å; C9-F171 PolarHBondContact SG-O 3.33Å; A12-F171 HydrophobicContact CB-CD1 3.99Å; A12-F171 HydrophobicContact CB-CD2 4.15Å; A12-F171 HydrophobicContact CB-CE1 3.91Å; A12-F171 HydrophobicContact CB-CE2 4.03Å; A12-F171 HydrophobicContact CB-CG 4.15Å; A12-F171 HydrophobicContact CB-CZ 3.93Å; V44-F171 HydrophobicContact CG1-CE2 3.92Å; V44-F171 HydrophobicContact CG1-CZ 4.05Å; V44-F171 HydrophobicContact CG2-CE2 4.28Å; L167-F171 WeakPolarHBondContact O-CD2 3.44Å; I168-F171 WeakPolarHBondContact O-CB 3.37Å; I168-F171 PolarHBondContact O-N 2.8Å; Q169-F171 PolarHBondContact O-N 3.44Å; Q169-F171 VanDerWaalsContact O-N 3.08Å |
| 172 | S | 77.8 | Confident | 69.3 | Low | 77 Ų | 77 | 73.6 Ų | 73.6 | 54% | 0.538 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -77.3 | -24.1 | 176.6 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | Q169 A174 | Q169-S172 WeakPolarHBondContact O-CB 3.17Å; Q169-S172 PolarHBondContact O-N 3.27Å; S172-A174 PolarHBondContact O-N 2.9Å |
| 173 | E | 68.3 | Low | 67.2 | Low | 71 Ų | 71 | 72.2 Ų | 72.2 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -96 | 83.6 | 179.7 | -67.3 | -165.6 | -154.5 | 0 | 0 | 111.5 | G96 F97 N147 Q169 C175 | G96-E173 WeakPolarHBondContact CA-O 3.34Å; F97-E173 PolarHBondContact N-O 3.33Å; N147-E173 WeakPolarHBondContact CB-OE2 3.18Å; N147-E173 PolarHBondContact ND2-OE2 3.41Å; N147-E173 PolarHBondContact OD1-OE2 3.37Å; Q169-E173 PolarHBondContact NE2-OE1 3.03Å; Q169-E173 PolarHBondContact O-N 2.94Å; E173-C175 PolarHBondContact O-N 2.8Å |
| 174 | A | 63.2 | Low | 64.7 | Low | 29 Ų | 29 | 76.5 Ų | 76.5 | 24% | 0.24 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -56 | 126.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | K94 S172 I176 | K94-A174 HydrophobicContact CB-CB 3.63Å; K94-A174 HydrophobicContact CD-CB 3.38Å; K94-A174 HydrophobicContact CG-CB 3.82Å; S172-A174 PolarHBondContact O-N 2.9Å; A174-I176 PolarHBondContact O-N 3.17Å |
| 175 | C | 60.4 | Low | 62.6 | Low | 52 Ų | 52 | 76.8 Ų | 76.8 | 35% | 0.351 | 43% | 0.434 | S | S | . | . | trans | -59.4 | 107.8 | 171.2 | -164.2 | 0 | 0 | 0 | 0 | 107.6 | V95 F97 E173 P177 | V95-C175 WeakPolarHBondContact O-CB 3.47Å; V95-C175 PolarHBondContact O-N 3.02Å; F97-C175 HydrophobicContact CB-CB 3.69Å; E173-C175 PolarHBondContact O-N 2.8Å; C175-P177 VanDerWaalsContact O-CD 3.29Å; C175-P177 WeakPolarHBondContact O-CD 3.36Å | ||
| 176 | I | 53.3 | Low | 60.3 | Low | 122 Ų | 122 | 76 Ų | 76 | 63% | 0.626 | 44% | 0.436 | S | S | * | . | trans | -66.2 | 117.7 | 168.6 | -57 | 171.8 | 0 | 0 | 0 | 103.9 | A174 S178 | A174-I176 PolarHBondContact O-N 3.17Å; I176-S178 PolarHBondContact O-N 2.91Å | ||
| 177 | P | 48.6 | Very low | 58.2 | Low | 109 Ų | 109 | 80 Ų | 80 | 71% | 0.708 | 47% | 0.472 | S | S | * | . | trans | -54.1 | 111.7 | 172.7 | -14.6 | 25.8 | 0 | 0 | 0 | 105.3 | C175 P179 | C175-P177 VanDerWaalsContact O-CD 3.29Å; C175-P177 WeakPolarHBondContact O-CD 3.36Å; P177-P179 WeakPolarHBondContact O-CD 3.18Å | ||
| 178 | S | 42.3 | Very low | 56.1 | Low | 59 Ų | 59 | 82.3 Ų | 82.3 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | trans | -61.8 | 121.3 | 172 | 66.7 | 0 | 0 | 0 | 0 | 103.9 | I176 K180 I181 | I176-S178 PolarHBondContact O-N 2.91Å; S178-K180 PolarHBondContact O-N 3.47Å; S178-I181 WeakPolarHBondContact OG-CG1 3.33Å | ||
| 179 | P | 38.9 | Very low | 54.5 | Low | 113 Ų | 113 | 85.4 Ų | 85.4 | 73% | 0.734 | 51% | 0.511 | S | S | * | . | trans | -46.2 | 137.5 | 162.1 | 21.4 | -31.2 | 0 | 0 | 0 | 106.3 | P177 I181 | P177-P179 WeakPolarHBondContact O-CD 3.18Å; P179-I181 WeakPolarHBondContact O-CA 3.41Å; P179-I181 PolarHBondContact O-N 3.27Å | ||
| 180 | K | 40.7 | Very low | 52.9 | Low | 200 Ų | 200 | 86.6 Ų | 86.6 | 87% | 0.87 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -27.9 | 110 | 179.9 | -73.4 | 178.2 | 179.4 | 176.3 | 0 | 106.8 | S178 E182 | S178-K180 PolarHBondContact O-N 3.47Å; K180-E182 PolarHBondContact O-N 2.72Å |
| 181 | I | 42.7 | Very low | 51.7 | Low | 83 Ų | 83 | 90.7 Ų | 90.7 | 43% | 0.426 | 54% | 0.539 | S | S | . | . | trans | -60.6 | 88.1 | -164.5 | -58.3 | 173.2 | 0 | 0 | 0 | 107.1 | S178 P179 V183 | S178-I181 WeakPolarHBondContact OG-CG1 3.33Å; P179-I181 WeakPolarHBondContact O-CA 3.41Å; P179-I181 PolarHBondContact O-N 3.27Å; I181-V183 HydrophobicContact CG2-CB 4.18Å; I181-V183 HydrophobicContact CG2-CG2 3.58Å; I181-V183 PolarHBondContact O-N 2.83Å | ||
| 182 | E | 39 | Very low | 51.1 | Low | 182 Ų | 182 | 90.1 Ų | 90.1 | 85% | 0.85 | 54% | 0.541 | S | S | * | . | trans | -56.5 | 99.7 | 137.4 | -72.3 | -177.3 | -175.3 | 0 | 0 | 100.9 | K180 A184 | K180-E182 PolarHBondContact O-N 2.72Å; E182-A184 PolarHBondContact O-N 3.23Å | ||
| 183 | V | 43.4 | Very low | 51.1 | Low | 66 Ų | 66 | 88.9 Ų | 88.9 | 40% | 0.4 | 53% | 0.528 | S | S | . | . | trans | -58.7 | 94.8 | 169.8 | -176.4 | 0 | 0 | 0 | 0 | 102 | I181 I185 | I181-V183 HydrophobicContact CG2-CB 4.18Å; I181-V183 HydrophobicContact CG2-CG2 3.58Å; I181-V183 PolarHBondContact O-N 2.83Å; V183-I185 HydrophobicContact CB-CG1 4.43Å; V183-I185 HydrophobicContact CG1-CG1 3.96Å; V183-I185 PolarHBondContact O-N 2.81Å | ||
| 184 | A | 39.4 | Very low | 51.4 | Low | 90 Ų | 90 | 88.6 Ų | 88.6 | 74% | 0.744 | 53% | 0.534 | S | S | * | . | trans | -64.4 | 90.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 101.6 | E182 G186 | E182-A184 PolarHBondContact O-N 3.23Å; A184-G186 PolarHBondContact O-N 3.31Å | ||
| 185 | I | 44.4 | Very low | 51.9 | Low | 62 Ų | 62 | 88.3 Ų | 88.3 | 32% | 0.318 | 53% | 0.528 | S | S | . | . | trans | -58.4 | 92.5 | 171.8 | -59.4 | 164.2 | 0 | 0 | 0 | 101.7 | V183 A187 E190 | V183-I185 HydrophobicContact CB-CG1 4.43Å; V183-I185 HydrophobicContact CG1-CG1 3.96Å; V183-I185 PolarHBondContact O-N 2.81Å; I185-A187 PolarHBondContact O-N 3.49Å; I185-E190 HydrophobicContact CB-CG 4.46Å; I185-E190 HydrophobicContact CG2-CG 3.85Å | ||
| 186 | G | 39.6 | Very low | 53.1 | Low | 49 Ų | 49 | 85.9 Ų | 85.9 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | trans | -50.5 | 145.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | A184 A188 | A184-G186 PolarHBondContact O-N 3.31Å; G186-A188 WeakPolarHBondContact O-CA 3.23Å; G186-A188 PolarHBondContact O-N 3.26Å | ||
| 187 | A | 44.8 | Very low | 54.7 | Low | 99 Ų | 99 | 81.5 Ų | 81.5 | 82% | 0.818 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -55.3 | 12.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I185 N189 | I185-A187 PolarHBondContact O-N 3.49Å; A187-N189 PolarHBondContact O-N 3.39Å |
| 188 | A | 46.7 | Very low | 56.3 | Low | 71 Ų | 71 | 80.4 Ų | 80.4 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -52.9 | 79.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110 | G186 E190 N195 | G186-A188 WeakPolarHBondContact O-CA 3.23Å; G186-A188 PolarHBondContact O-N 3.26Å; A188-E190 PolarHBondContact O-N 3.21Å; A188-N195 PolarHBondContact O-ND2 3.25Å; A188-N195 VanDerWaalsContact O-ND2 3.11Å |
| 189 | N | 52.2 | Low | 58.3 | Low | 118 Ų | 118 | 82.2 Ų | 82.2 | 63% | 0.631 | 47% | 0.47 | S | S | * | . | trans | 21.7 | 96.9 | 177.3 | -79.5 | -18.6 | 0 | 0 | 0 | 112.5 | A187 N191 S192 N195 | A187-N189 PolarHBondContact O-N 3.39Å; N189-N191 PolarHBondContact O-N 3.37Å; N189-S192 WeakPolarHBondContact O-CB 3.35Å; N189-S192 PolarHBondContact O-N 3.14Å; N189-N195 PolarHBondContact O-ND2 2.83Å; N189-N195 VanDerWaalsContact O-ND2 3.16Å | ||
| 190 | E | 53.4 | Low | 60.8 | Low | 119 Ų | 119 | 76.9 Ų | 76.9 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | -25.4 | 168.5 | -69.2 | -172.1 | 148.5 | 0 | 0 | 111.8 | I185 A188 N196 | I185-E190 HydrophobicContact CB-CG 4.46Å; I185-E190 HydrophobicContact CG2-CG 3.85Å; A188-E190 PolarHBondContact O-N 3.21Å; E190-N196 PolarHBondContact O-OD1 2.81Å |
| 191 | N | 61.4 | Low | 63.2 | Low | 85 Ų | 85 | 68.6 Ų | 68.6 | 46% | 0.455 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 18.6 | 177.7 | -63.2 | -23.2 | 0 | 0 | 0 | 115.5 | N189 N196 | N189-N191 PolarHBondContact O-N 3.37Å; N191-N196 WeakPolarHBondContact CA-ND2 3.44Å |
| 192 | S | 73.3 | Confident | 65.3 | Low | 37 Ų | 37 | 68.1 Ų | 68.1 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | trans | -64.6 | 142 | 171.7 | 81.6 | 0 | 0 | 0 | 0 | 109.8 | N189 S194 N195 N196 | N189-S192 WeakPolarHBondContact O-CB 3.35Å; N189-S192 PolarHBondContact O-N 3.14Å; S192-S194 PolarHBondContact O-N 3.26Å; S192-N195 PolarHBondContact O-N 3.16Å; S192-N195 WeakPolarHBondContact OG-CB 3.27Å; S192-N195 VanDerWaalsContact OG-CG 3.23Å; S192-N195 PolarHBondContact OG-N 2.97Å; S192-N195 PolarHBondContact OG-ND2 3.43Å; S192-N195 VanDerWaalsContact OG-ND2 3.12Å; S192-N196 PolarHBondContact O-N 2.73Å | ||
| 193 | L | 76.4 | Confident | 67.7 | Low | 51 Ų | 51 | 60 Ų | 60 | 27% | 0.267 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53.8 | -41.1 | -179.4 | 178.8 | 58.4 | 0 | 0 | 0 | 112.1 | N196 L197 G252 F254 | L193-N196 PolarHBondContact O-N 2.89Å; L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 3.98Å; L193-L197 HydrophobicContact CG-CD1 3.88Å; L193-L197 HydrophobicContact CG-CG 4.42Å; L193-L197 VanDerWaalsContact O-CB 3.32Å; L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 3.13Å; L193-G252 VanDerWaalsContact CD1-O 3.29Å; L193-G252 WeakPolarHBondContact CD1-O 3.35Å; L193-F254 HydrophobicContact CD1-CD1 3.73Å; L193-F254 HydrophobicContact CD1-CE1 3.46Å; L193-F254 VanDerWaalsContact CD1-CE1 3.46Å |
| 194 | S | 75.5 | Confident | 70.3 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 178.6 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | S192 Y198 | S192-S194 PolarHBondContact O-N 3.26Å; S194-Y198 WeakPolarHBondContact O-CB 3.29Å; S194-Y198 PolarHBondContact O-N 3.19Å; S194-Y198 VanDerWaalsContact O-N 3.07Å |
| 195 | N | 74.5 | Confident | 72.8 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 176.9 | -76.5 | -22.2 | 0 | 0 | 0 | 111.4 | A188 N189 S192 Y198 R199 | A188-N195 PolarHBondContact O-ND2 3.25Å; A188-N195 VanDerWaalsContact O-ND2 3.11Å; N189-N195 PolarHBondContact O-ND2 2.83Å; N189-N195 VanDerWaalsContact O-ND2 3.16Å; S192-N195 PolarHBondContact O-N 3.16Å; S192-N195 WeakPolarHBondContact OG-CB 3.27Å; S192-N195 VanDerWaalsContact OG-CG 3.23Å; S192-N195 PolarHBondContact OG-N 2.97Å; S192-N195 PolarHBondContact OG-ND2 3.43Å; S192-N195 VanDerWaalsContact OG-ND2 3.12Å; N195-Y198 PolarHBondContact O-N 3.41Å; N195-R199 VanDerWaalsContact O-CG 3.29Å; N195-R199 WeakPolarHBondContact O-CG 3.32Å; N195-R199 PolarHBondContact O-N 3.16Å |
| 196 | N | 84.5 | Confident | 75.1 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | -179.3 | -76 | -13.3 | 0 | 0 | 0 | 112.2 | E190 N191 S192 L193 Y198 R199 C200 F254 | E190-N196 PolarHBondContact O-OD1 2.81Å; N191-N196 WeakPolarHBondContact CA-ND2 3.44Å; S192-N196 PolarHBondContact O-N 2.73Å; L193-N196 PolarHBondContact O-N 2.89Å; N196-Y198 VanDerWaalsContact C-N 3.31Å; N196-Y198 PolarHBondContact O-N 3.48Å; N196-R199 PolarHBondContact O-N 3.47Å; N196-C200 WeakPolarHBondContact O-CB 3.38Å; N196-C200 PolarHBondContact O-N 2.97Å; N196-C200 PolarHBondContact O-SG 2.87Å; N196-F254 HydrophobicContact CB-CD2 4.4Å; N196-F254 HydrophobicContact CB-CE2 3.77Å; N196-F254 HydrophobicContact CB-CZ 3.91Å; N196-F254 PolarHBondContact ND2-O 3.36Å |
| 197 | L | 86.9 | Confident | 77.8 | Confident | 30 Ų | 30 | 62 Ų | 62 | 16% | 0.157 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 172.7 | -76.1 | 171 | 0 | 0 | 0 | 112.4 | L193 C200 D201 L245 L248 K249 F254 | L193-L197 HydrophobicContact CD1-CD1 3.87Å; L193-L197 HydrophobicContact CD1-CG 3.98Å; L193-L197 HydrophobicContact CG-CD1 3.88Å; L193-L197 HydrophobicContact CG-CG 4.42Å; L193-L197 VanDerWaalsContact O-CB 3.32Å; L193-L197 WeakPolarHBondContact O-CB 3.41Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.5Å; L193-L197 PolarHBondContact O-N 3.13Å; L197-C200 PolarHBondContact O-N 2.89Å; L197-D201 PolarHBondContact O-N 3.37Å; L197-L245 HydrophobicContact CD2-CD2 4.43Å; L197-L248 HydrophobicContact CD2-CB 3.96Å; L197-K249 HydrophobicContact CD1-CB 3.86Å; L197-K249 HydrophobicContact CD1-CD 4.43Å; L197-K249 HydrophobicContact CD1-CG 3.9Å; L197-K249 HydrophobicContact CD2-CB 4.12Å; L197-F254 HydrophobicContact CD2-CE1 3.93Å; L197-F254 HydrophobicContact CD2-CZ 3.98Å; L197-F254 HydrophobicContact CG-CE1 4.1Å; L197-F254 HydrophobicContact CG-CZ 4.18Å |
| 198 | Y | 82.8 | Confident | 80.1 | Confident | 87 Ų | 87 | 58 Ų | 58 | 34% | 0.341 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 175.9 | 175.6 | -101.8 | 0 | 0 | 0 | 112.1 | S194 N195 N196 D201 I202 | S194-Y198 WeakPolarHBondContact O-CB 3.29Å; S194-Y198 PolarHBondContact O-N 3.19Å; S194-Y198 VanDerWaalsContact O-N 3.07Å; N195-Y198 PolarHBondContact O-N 3.41Å; N196-Y198 VanDerWaalsContact C-N 3.31Å; N196-Y198 PolarHBondContact O-N 3.48Å; Y198-D201 PolarHBondContact O-N 3.38Å; Y198-I202 HydrophobicContact CD1-CD1 3.99Å; Y198-I202 HydrophobicContact CE1-CD1 3.32Å; Y198-I202 HydrophobicContact CE1-CG1 4.36Å; Y198-I202 HydrophobicContact CE2-CD1 4.16Å; Y198-I202 VanDerWaalsContact CZ-CD1 3.44Å; Y198-I202 PolarHBondContact O-N 2.86Å |
| 199 | R | 84.4 | Confident | 82.2 | Confident | 97 Ų | 97 | 57.1 Ų | 57.1 | 37% | 0.366 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 176.8 | -70.3 | 170.8 | 70 | -168.5 | 5 | 111.5 | N195 N196 I202 A203 M256 | N195-R199 VanDerWaalsContact O-CG 3.29Å; N195-R199 WeakPolarHBondContact O-CG 3.32Å; N195-R199 PolarHBondContact O-N 3.16Å; N196-R199 PolarHBondContact O-N 3.47Å; R199-I202 PolarHBondContact O-N 3.38Å; R199-A203 WeakPolarHBondContact O-CB 3.36Å; R199-A203 PolarHBondContact O-N 3.16Å; R199-M256 HydrophobicContact CB-CE 3.93Å; R199-M256 HydrophobicContact CB-SD 3.57Å; R199-M256 VanDerWaalsContact CB-SD 3.57Å |
| 200 | C | 91.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 171.9 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | N196 L197 I202 A203 L204 L245 L248 | N196-C200 WeakPolarHBondContact O-CB 3.38Å; N196-C200 PolarHBondContact O-N 2.97Å; N196-C200 PolarHBondContact O-SG 2.87Å; L197-C200 PolarHBondContact O-N 2.89Å; C200-I202 VanDerWaalsContact C-N 3.34Å; C200-I202 PolarHBondContact O-N 3.39Å; C200-A203 PolarHBondContact O-N 3.25Å; C200-L204 HydrophobicContact CB-CD1 4.48Å; C200-L204 VanDerWaalsContact O-CB 3.27Å; C200-L204 WeakPolarHBondContact O-CB 3.34Å; C200-L204 WeakPolarHBondContact O-CD1 3.45Å; C200-L204 WeakPolarHBondContact O-CG 3.29Å; C200-L204 PolarHBondContact O-N 2.65Å; C200-L245 HydrophobicContact CB-CD2 3.89Å; C200-L248 HydrophobicContact CB-CD1 4.4Å |
| 201 | D | 90.8 | Very high | 85.9 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 178.8 | -178.2 | 46.9 | 0 | 0 | 0 | 111.8 | L197 Y198 R205 K241 L245 | L197-D201 PolarHBondContact O-N 3.37Å; Y198-D201 PolarHBondContact O-N 3.38Å; D201-R205 VanDerWaalsContact CG-NE 3.3Å; D201-R205 WeakPolarHBondContact O-CB 3.48Å; D201-R205 WeakPolarHBondContact O-CG 3.3Å; D201-R205 PolarHBondContact O-N 2.89Å; D201-R205 IonicContact OD1-CZ 3.98Å; D201-R205 IonicContact OD1-NE 3.17Å; D201-R205 PolarHBondContact OD1-NE 3.22Å; D201-R205 IonicContact OD1-NH2 2.66Å; D201-R205 IonicContact OD2-CZ 3.15Å; D201-R205 IonicContact OD2-NE 2.8Å; D201-R205 PolarHBondContact OD2-NE 2.85Å; D201-R205 IonicContact OD2-NH2 2.81Å; D201-R205 PolarHBondContact OD2-NH2 3.14Å; D201-K241 IonicContact OD1-NZ 3.85Å; D201-K241 PolarHBondContact OD1-NZ 3.35Å; D201-L245 HydrophobicContact CB-CD1 3.84Å; D201-L245 HydrophobicContact CB-CD2 4.25Å |
| 202 | I | 85.9 | Confident | 87.2 | Confident | 73 Ų | 73 | 49 Ų | 49 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.3 | -50.9 | 174 | -71.3 | 177 | 0 | 0 | 0 | 111.2 | Y198 R199 C200 R205 R206 | Y198-I202 HydrophobicContact CD1-CD1 3.99Å; Y198-I202 HydrophobicContact CE1-CD1 3.32Å; Y198-I202 HydrophobicContact CE1-CG1 4.36Å; Y198-I202 HydrophobicContact CE2-CD1 4.16Å; Y198-I202 VanDerWaalsContact CZ-CD1 3.44Å; Y198-I202 PolarHBondContact O-N 2.86Å; R199-I202 PolarHBondContact O-N 3.38Å; C200-I202 VanDerWaalsContact C-N 3.34Å; C200-I202 PolarHBondContact O-N 3.39Å; I202-R205 PolarHBondContact O-N 3.04Å; I202-R206 PolarHBondContact O-N 2.97Å; I202-R206 VanDerWaalsContact O-N 3.12Å |
| 203 | A | 90.7 | Very high | 87.9 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 10% | 0.099 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R199 C200 R205 R206 I207 M256 L262 | R199-A203 WeakPolarHBondContact O-CB 3.36Å; R199-A203 PolarHBondContact O-N 3.16Å; C200-A203 PolarHBondContact O-N 3.25Å; A203-R205 PolarHBondContact O-N 2.91Å; A203-R206 WeakPolarHBondContact O-CB 3.37Å; A203-R206 PolarHBondContact O-N 2.85Å; A203-R206 VanDerWaalsContact O-N 3.13Å; A203-I207 WeakPolarHBondContact O-CG1 3.34Å; A203-I207 PolarHBondContact O-N 3.16Å; A203-M256 HydrophobicContact CB-CE 4.2Å; A203-L262 HydrophobicContact CB-CD1 3.74Å |
| 204 | L | 96 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 177.9 | -68.1 | 165.8 | 0 | 0 | 0 | 112.2 | C200 R206 I207 V208 K241 L244 L245 L262 L266 | C200-L204 HydrophobicContact CB-CD1 4.48Å; C200-L204 VanDerWaalsContact O-CB 3.27Å; C200-L204 WeakPolarHBondContact O-CB 3.34Å; C200-L204 WeakPolarHBondContact O-CD1 3.45Å; C200-L204 WeakPolarHBondContact O-CG 3.29Å; C200-L204 PolarHBondContact O-N 2.65Å; L204-R206 VanDerWaalsContact C-N 3.28Å; L204-R206 PolarHBondContact O-N 3.35Å; L204-I207 HydrophobicContact CD2-CD1 4.43Å; L204-I207 PolarHBondContact O-N 3.44Å; L204-V208 VanDerWaalsContact O-CG2 3.28Å; L204-V208 WeakPolarHBondContact O-CG2 3.37Å; L204-V208 PolarHBondContact O-N 2.87Å; L204-K241 HydrophobicContact CB-CD 3.87Å; L204-K241 HydrophobicContact CB-CG 3.72Å; L204-K241 HydrophobicContact CD1-CG 4Å; L204-K241 HydrophobicContact CG-CG 4.42Å; L204-L244 HydrophobicContact CD1-CD2 4Å; L204-L244 HydrophobicContact CD1-CG 4.44Å; L204-L244 HydrophobicContact CD2-CD2 3.77Å; L204-L245 HydrophobicContact CD1-CD2 3.9Å; L204-L245 HydrophobicContact CD1-CG 3.98Å; L204-L262 HydrophobicContact CD2-CB 4.14Å; L204-L266 HydrophobicContact CD2-CB 4.04Å; L204-L266 HydrophobicContact CD2-CD1 4.4Å; L204-L266 HydrophobicContact CD2-CD2 4.28Å; L204-L266 HydrophobicContact CD2-CG 4.48Å |
| 205 | R | 92.8 | Very high | 88.9 | Confident | 149 Ų | 149 | 51.3 Ų | 51.3 | 56% | 0.562 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -59.7 | -39.5 | 173.3 | -77.7 | 173 | -166.6 | -136.5 | 11.3 | 112 | D201 I202 A203 A209 K241 | D201-R205 VanDerWaalsContact CG-NE 3.3Å; D201-R205 WeakPolarHBondContact O-CB 3.48Å; D201-R205 WeakPolarHBondContact O-CG 3.3Å; D201-R205 PolarHBondContact O-N 2.89Å; D201-R205 IonicContact OD1-CZ 3.98Å; D201-R205 IonicContact OD1-NE 3.17Å; D201-R205 PolarHBondContact OD1-NE 3.22Å; D201-R205 IonicContact OD1-NH2 2.66Å; D201-R205 IonicContact OD2-CZ 3.15Å; D201-R205 IonicContact OD2-NE 2.8Å; D201-R205 PolarHBondContact OD2-NE 2.85Å; D201-R205 IonicContact OD2-NH2 2.81Å; D201-R205 PolarHBondContact OD2-NH2 3.14Å; I202-R205 PolarHBondContact O-N 3.04Å; A203-R205 PolarHBondContact O-N 2.91Å; R205-A209 WeakPolarHBondContact O-CB 3.35Å; R205-A209 PolarHBondContact O-N 3.12Å; R205-K241 HydrophobicContact CG-CD 4.31Å |
| 206 | R | 92.4 | Very high | 89.3 | Confident | 157 Ų | 157 | 51.6 Ų | 51.6 | 59% | 0.592 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -65.3 | -48.4 | 175.5 | -70.7 | 175 | 56.9 | -166.3 | -6.4 | 111.2 | I202 A203 L204 V208 A209 E210 | I202-R206 PolarHBondContact O-N 2.97Å; I202-R206 VanDerWaalsContact O-N 3.12Å; A203-R206 WeakPolarHBondContact O-CB 3.37Å; A203-R206 PolarHBondContact O-N 2.85Å; A203-R206 VanDerWaalsContact O-N 3.13Å; L204-R206 VanDerWaalsContact C-N 3.28Å; L204-R206 PolarHBondContact O-N 3.35Å; R206-V208 PolarHBondContact O-N 2.97Å; R206-A209 PolarHBondContact O-N 3.3Å; R206-A209 VanDerWaalsContact O-N 3.16Å; R206-E210 WeakPolarHBondContact O-CB 3.43Å; R206-E210 WeakPolarHBondContact O-CG 3.44Å; R206-E210 PolarHBondContact O-N 3.1Å |
| 207 | I | 95.7 | Very high | 89 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.6 | -50.6 | 177.1 | -64.2 | 164.8 | 0 | 0 | 0 | 110.1 | A203 L204 A209 E210 E211 V259 L262 K263 L266 | A203-I207 WeakPolarHBondContact O-CG1 3.34Å; A203-I207 PolarHBondContact O-N 3.16Å; L204-I207 HydrophobicContact CD2-CD1 4.43Å; L204-I207 PolarHBondContact O-N 3.44Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 3.01Å; I207-E210 PolarHBondContact O-N 3.33Å; I207-E211 HydrophobicContact CG2-CG 4.28Å; I207-E211 VanDerWaalsContact O-CG 3.29Å; I207-E211 WeakPolarHBondContact O-CG 3.29Å; I207-E211 PolarHBondContact O-N 3.46Å; I207-V259 HydrophobicContact CD1-CG1 4.16Å; I207-V259 HydrophobicContact CG1-CG1 4.35Å; I207-L262 HydrophobicContact CD1-CB 4.11Å; I207-K263 HydrophobicContact CD1-CB 4.06Å; I207-K263 HydrophobicContact CG2-CB 4.34Å; I207-K263 HydrophobicContact CG2-CD 4.46Å; I207-K263 HydrophobicContact CG2-CG 3.98Å; I207-L266 HydrophobicContact CB-CD2 4.46Å; I207-L266 HydrophobicContact CG2-CD2 3.82Å |
| 208 | V | 94.1 | Very high | 88.7 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.085 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L204 R206 E211 V212 L237 L266 | L204-V208 VanDerWaalsContact O-CG2 3.28Å; L204-V208 WeakPolarHBondContact O-CG2 3.37Å; L204-V208 PolarHBondContact O-N 2.87Å; R206-V208 PolarHBondContact O-N 2.97Å; V208-E211 PolarHBondContact O-N 3.41Å; V208-V212 HydrophobicContact CG1-CG2 4.29Å; V208-V212 WeakPolarHBondContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.28Å; V208-V212 PolarHBondContact O-N 3.3Å; V208-L237 HydrophobicContact CG1-CB 3.96Å; V208-L237 HydrophobicContact CG2-CB 4.05Å; V208-L266 HydrophobicContact CG2-CD2 3.94Å |
| 209 | A | 89.7 | Confident | 88.3 | Confident | 53 Ų | 53 | 55.7 Ų | 55.7 | 44% | 0.438 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R205 R206 I207 T213 | R205-A209 WeakPolarHBondContact O-CB 3.35Å; R205-A209 PolarHBondContact O-N 3.12Å; R206-A209 PolarHBondContact O-N 3.3Å; R206-A209 VanDerWaalsContact O-N 3.16Å; I207-A209 VanDerWaalsContact C-N 3.32Å; I207-A209 PolarHBondContact O-N 3.01Å; A209-T213 VanDerWaalsContact O-CB 3.3Å; A209-T213 WeakPolarHBondContact O-CB 3.43Å; A209-T213 PolarHBondContact O-N 3.48Å; A209-T213 PolarHBondContact O-OG1 2.91Å |
| 210 | E | 92.3 | Very high | 87.4 | Confident | 93 Ų | 93 | 57.5 Ų | 57.5 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 177 | -74.5 | 170.1 | -161.7 | 0 | 0 | 111.2 | R206 I207 T213 N214 | R206-E210 WeakPolarHBondContact O-CB 3.43Å; R206-E210 WeakPolarHBondContact O-CG 3.44Å; R206-E210 PolarHBondContact O-N 3.1Å; I207-E210 PolarHBondContact O-N 3.33Å; E210-T213 PolarHBondContact O-N 2.92Å; E210-N214 WeakPolarHBondContact O-CB 3.5Å; E210-N214 PolarHBondContact O-N 3.32Å; E210-N214 PolarHBondContact O-ND2 3.05Å |
| 211 | E | 91.9 | Very high | 86.3 | Confident | 25 Ų | 25 | 64.2 Ų | 64.2 | 12% | 0.117 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 179.6 | -66.3 | -56.7 | 143 | 0 | 0 | 112.6 | I207 V208 T213 N214 I215 L237 K263 F267 | I207-E211 HydrophobicContact CG2-CG 4.28Å; I207-E211 VanDerWaalsContact O-CG 3.29Å; I207-E211 WeakPolarHBondContact O-CG 3.29Å; I207-E211 PolarHBondContact O-N 3.46Å; V208-E211 PolarHBondContact O-N 3.41Å; E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 3.43Å; E211-N214 PolarHBondContact O-N 3.17Å; E211-I215 PolarHBondContact O-N 2.9Å; E211-L237 HydrophobicContact CB-CD1 3.96Å; E211-K263 WeakPolarHBondContact OE1-CE 3.33Å; E211-K263 IonicContact OE1-NZ 2.72Å; E211-K263 PolarHBondContact OE1-NZ 3.36Å; E211-F267 HydrophobicContact CG-CE2 4.13Å; E211-F267 HydrophobicContact CG-CZ 3.78Å |
| 212 | V | 89.6 | Confident | 85.3 | Confident | 32 Ų | 32 | 69 Ų | 69 | 19% | 0.194 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 173.5 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | V208 S216 V230 L233 L237 | V208-V212 HydrophobicContact CG1-CG2 4.29Å; V208-V212 WeakPolarHBondContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.28Å; V208-V212 PolarHBondContact O-N 3.3Å; V212-S216 VanDerWaalsContact O-CB 3.27Å; V212-S216 WeakPolarHBondContact O-CB 3.39Å; V212-S216 PolarHBondContact O-N 3.23Å; V212-V230 HydrophobicContact CG1-CG1 3.77Å; V212-L233 HydrophobicContact CG2-CD2 4.48Å; V212-L237 HydrophobicContact CG2-CD1 4.37Å |
| 213 | T | 88 | Confident | 84.3 | Confident | 67 Ų | 67 | 75.1 Ų | 75.1 | 41% | 0.411 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 179.5 | -55.3 | 0 | 0 | 0 | 0 | 112 | A209 E210 E211 I215 S216 R217 | A209-T213 VanDerWaalsContact O-CB 3.3Å; A209-T213 WeakPolarHBondContact O-CB 3.43Å; A209-T213 PolarHBondContact O-N 3.48Å; A209-T213 PolarHBondContact O-OG1 2.91Å; E210-T213 PolarHBondContact O-N 2.92Å; E211-T213 VanDerWaalsContact C-N 3.27Å; E211-T213 PolarHBondContact O-N 3.43Å; T213-I215 VanDerWaalsContact C-N 3.34Å; T213-S216 PolarHBondContact O-N 2.94Å; T213-R217 PolarHBondContact O-N 2.96Å |
| 214 | N | 87.9 | Confident | 83 | Confident | 71 Ų | 71 | 79.2 Ų | 79.2 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 179.1 | -71.8 | -20.4 | 0 | 0 | 0 | 111.1 | E210 E211 R217 G218 | E210-N214 WeakPolarHBondContact O-CB 3.5Å; E210-N214 PolarHBondContact O-N 3.32Å; E210-N214 PolarHBondContact O-ND2 3.05Å; E211-N214 PolarHBondContact O-N 3.17Å; N214-R217 PolarHBondContact O-N 3.07Å; N214-R217 PolarHBondContact OD1-NH2 3Å; N214-G218 PolarHBondContact O-N 3.37Å |
| 215 | I | 83.4 | Confident | 81.6 | Confident | 64 Ų | 64 | 85 Ų | 85 | 33% | 0.328 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.1 | -39.5 | 177.1 | -75.4 | 170.1 | 0 | 0 | 0 | 111.5 | E211 T213 R217 G218 F219 V230 L233 | E211-I215 PolarHBondContact O-N 2.9Å; T213-I215 VanDerWaalsContact C-N 3.34Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 2.86Å; I215-G218 PolarHBondContact O-N 3.44Å; I215-F219 HydrophobicContact CG2-CD2 3.59Å; I215-F219 HydrophobicContact CG2-CE2 3.27Å; I215-F219 HydrophobicContact CG2-CZ 4.32Å; I215-F219 WeakPolarHBondContact O-CD2 3.37Å; I215-F219 PolarHBondContact O-N 3.3Å; I215-V230 HydrophobicContact CG2-CG2 4.47Å; I215-L233 HydrophobicContact CB-CD2 4.04Å; I215-L233 HydrophobicContact CD1-CD1 4.46Å; I215-L233 HydrophobicContact CD1-CD2 3.3Å; I215-L233 HydrophobicContact CD1-CG 4.5Å; I215-L233 HydrophobicContact CG1-CD2 4.21Å; I215-L233 HydrophobicContact CG2-CD2 4.08Å |
| 216 | S | 82.7 | Confident | 80.4 | Confident | 30 Ų | 30 | 78.6 Ų | 78.6 | 21% | 0.21 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 173.4 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | V212 T213 F219 M220 | V212-S216 VanDerWaalsContact O-CB 3.27Å; V212-S216 WeakPolarHBondContact O-CB 3.39Å; V212-S216 PolarHBondContact O-N 3.23Å; T213-S216 PolarHBondContact O-N 2.94Å; S216-F219 PolarHBondContact O-N 3.27Å; S216-M220 WeakPolarHBondContact O-CG 3.21Å; S216-M220 PolarHBondContact O-N 3.4Å; S216-M220 VanDerWaalsContact O-N 3.15Å |
| 217 | R | 79.9 | Confident | 79.6 | Confident | 136 Ų | 136 | 76.4 Ų | 76.4 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 172.8 | -83.5 | -175.4 | -97.2 | 135.2 | 3.6 | 111.7 | T213 N214 I215 F219 M220 D221 | T213-R217 PolarHBondContact O-N 2.96Å; N214-R217 PolarHBondContact O-N 3.07Å; N214-R217 PolarHBondContact OD1-NH2 3Å; I215-R217 VanDerWaalsContact C-N 3.3Å; I215-R217 PolarHBondContact O-N 2.86Å; R217-F219 VanDerWaalsContact C-N 3.29Å; R217-F219 PolarHBondContact O-N 3.28Å; R217-M220 PolarHBondContact O-N 3.01Å; R217-M220 VanDerWaalsContact O-N 3.11Å; R217-D221 PolarHBondContact O-N 3.05Å |
| 218 | G | 79.1 | Confident | 78.7 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 27% | 0.268 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.4 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | N214 I215 Q222 | N214-G218 PolarHBondContact O-N 3.37Å; I215-G218 PolarHBondContact O-N 3.44Å; G218-Q222 VanDerWaalsContact O-CG 3.32Å; G218-Q222 WeakPolarHBondContact O-CG 3.35Å; G218-Q222 PolarHBondContact O-N 3.35Å |
| 219 | F | 74.6 | Confident | 78.1 | Confident | 41 Ų | 41 | 82.4 Ų | 82.4 | 18% | 0.18 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -73.9 | -35.1 | 175.1 | -75 | -61.3 | 0 | 0 | 0 | 113.6 | I215 S216 R217 D221 Q222 K223 L224 A226 N229 V230 | I215-F219 HydrophobicContact CG2-CD2 3.59Å; I215-F219 HydrophobicContact CG2-CE2 3.27Å; I215-F219 HydrophobicContact CG2-CZ 4.32Å; I215-F219 WeakPolarHBondContact O-CD2 3.37Å; I215-F219 PolarHBondContact O-N 3.3Å; S216-F219 PolarHBondContact O-N 3.27Å; R217-F219 VanDerWaalsContact C-N 3.29Å; R217-F219 PolarHBondContact O-N 3.28Å; F219-D221 VanDerWaalsContact C-N 3.32Å; F219-Q222 CarbonylContact O-C 3.56Å; F219-Q222 PolarHBondContact O-N 3.33Å; F219-K223 PolarHBondContact O-N 3.37Å; F219-K223 VanDerWaalsContact O-N 3.09Å; F219-L224 HydrophobicContact CD1-CB 3.99Å; F219-L224 HydrophobicContact CD1-CD1 4.09Å; F219-L224 HydrophobicContact CE1-CD1 4.34Å; F219-L224 PolarHBondContact O-N 3.12Å; F219-A226 HydrophobicContact CB-CB 3.48Å; F219-A226 VanDerWaalsContact CB-CB 3.48Å; F219-A226 HydrophobicContact CD2-CB 4.38Å; F219-A226 HydrophobicContact CG-CB 4.13Å; F219-N229 HydrophobicContact CE2-CB 3.78Å; F219-N229 HydrophobicContact CZ-CB 3.77Å; F219-V230 HydrophobicContact CD2-CG2 3.93Å; F219-V230 HydrophobicContact CE2-CG2 4.33Å |
| 220 | M | 65 | Low | 77.8 | Confident | 135 Ų | 135 | 80.9 Ų | 80.9 | 67% | 0.665 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.5 | -41.7 | 174.4 | -74 | -173.7 | -170.5 | 0 | 0 | 111.2 | S216 R217 Q222 K223 | S216-M220 WeakPolarHBondContact O-CG 3.21Å; S216-M220 PolarHBondContact O-N 3.4Å; S216-M220 VanDerWaalsContact O-N 3.15Å; R217-M220 PolarHBondContact O-N 3.01Å; R217-M220 VanDerWaalsContact O-N 3.11Å; M220-Q222 PolarHBondContact O-N 3.47Å; M220-K223 PolarHBondContact O-N 3.08Å |
| 221 | D | 70.4 | Confident | 77.5 | Confident | 140 Ų | 140 | 82.7 Ų | 82.7 | 75% | 0.749 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.6 | -27.7 | 176.5 | -66.2 | -23.3 | 0 | 0 | 0 | 112.1 | R217 F219 | R217-D221 PolarHBondContact O-N 3.05Å; F219-D221 VanDerWaalsContact C-N 3.32Å |
| 222 | Q | 69.2 | Low | 77.3 | Confident | 128 Ų | 128 | 83.9 Ų | 83.9 | 60% | 0.598 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -1 | -179 | -66.8 | 176.5 | 23.8 | 0 | 0 | 114.6 | G218 F219 M220 L224 | G218-Q222 VanDerWaalsContact O-CG 3.32Å; G218-Q222 WeakPolarHBondContact O-CG 3.35Å; G218-Q222 PolarHBondContact O-N 3.35Å; F219-Q222 CarbonylContact O-C 3.56Å; F219-Q222 PolarHBondContact O-N 3.33Å; M220-Q222 PolarHBondContact O-N 3.47Å; Q222-L224 HydrophobicContact CB-CD1 3.92Å; Q222-L224 HydrophobicContact CB-CG 4.21Å; Q222-L224 PolarHBondContact O-N 2.94Å; Q222-L224 VanDerWaalsContact O-N 3.15Å |
| 223 | K | 64.7 | Low | 77.2 | Confident | 201 Ų | 201 | 83.3 Ų | 83.3 | 87% | 0.874 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 30 | -175.7 | -64.1 | -177.4 | 177.2 | 177.6 | 0 | 114.6 | F219 M220 | F219-K223 PolarHBondContact O-N 3.37Å; F219-K223 VanDerWaalsContact O-N 3.09Å; M220-K223 PolarHBondContact O-N 3.08Å |
| 224 | L | 64.5 | Low | 77.4 | Confident | 97 Ų | 97 | 80.8 Ų | 80.8 | 51% | 0.508 | 42% | 0.422 | S | S | . | . | trans | -88.1 | 159.7 | 176 | -73.7 | 164.2 | 0 | 0 | 0 | 110.8 | F219 Q222 A226 | F219-L224 HydrophobicContact CD1-CB 3.99Å; F219-L224 HydrophobicContact CD1-CD1 4.09Å; F219-L224 HydrophobicContact CE1-CD1 4.34Å; F219-L224 PolarHBondContact O-N 3.12Å; Q222-L224 HydrophobicContact CB-CD1 3.92Å; Q222-L224 HydrophobicContact CB-CG 4.21Å; Q222-L224 PolarHBondContact O-N 2.94Å; Q222-L224 VanDerWaalsContact O-N 3.15Å; L224-A226 VanDerWaalsContact C-N 3.3Å; L224-A226 PolarHBondContact O-N 3.4Å | ||
| 225 | D | 65.4 | Low | 77.5 | Confident | 122 Ų | 122 | 84.9 Ų | 84.9 | 65% | 0.652 | 43% | 0.432 | S | S | * | . | trans | -66.4 | 91 | 171.8 | -170.6 | -3.2 | 0 | 0 | 0 | 110 | ||||
| 226 | A | 67.3 | Low | 78.1 | Confident | 14 Ų | 14 | 83.1 Ų | 83.1 | 12% | 0.116 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -73.1 | -28.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F219 L224 N229 V230 | F219-A226 HydrophobicContact CB-CB 3.48Å; F219-A226 VanDerWaalsContact CB-CB 3.48Å; F219-A226 HydrophobicContact CD2-CB 4.38Å; F219-A226 HydrophobicContact CG-CB 4.13Å; L224-A226 VanDerWaalsContact C-N 3.3Å; L224-A226 PolarHBondContact O-N 3.4Å; A226-N229 PolarHBondContact O-N 3.46Å; A226-V230 HydrophobicContact CB-CG2 4.41Å; A226-V230 VanDerWaalsContact O-CB 3.24Å; A226-V230 WeakPolarHBondContact O-CB 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.09Å; A226-V230 PolarHBondContact O-N 3.31Å |
| 227 | N | 75.4 | Confident | 78.7 | Confident | 112 Ų | 112 | 81.7 Ų | 81.7 | 60% | 0.599 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.5 | -47.5 | -160.3 | -82.4 | -22.5 | 0 | 0 | 0 | 112.8 | N229 Q231 | N227-N229 PolarHBondContact O-N 3.38Å; N227-Q231 WeakPolarHBondContact O-CB 3.5Å; N227-Q231 WeakPolarHBondContact O-CG 3.43Å; N227-Q231 PolarHBondContact O-N 2.93Å |
| 228 | A | 78.3 | Confident | 79.4 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T232 | A228-T232 WeakPolarHBondContact O-CB 3.38Å; A228-T232 PolarHBondContact O-N 2.83Å; A228-T232 PolarHBondContact O-OG1 3.33Å |
| 229 | N | 80.9 | Confident | 80.2 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 47% | 0.471 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.2 | -44.4 | 179.6 | -71.1 | -36 | 0 | 0 | 0 | 111.7 | F219 A226 N227 T232 L233 | F219-N229 HydrophobicContact CE2-CB 3.78Å; F219-N229 HydrophobicContact CZ-CB 3.77Å; A226-N229 PolarHBondContact O-N 3.46Å; N227-N229 PolarHBondContact O-N 3.38Å; N229-T232 PolarHBondContact O-N 3.23Å; N229-L233 WeakPolarHBondContact O-CB 3.02Å; N229-L233 PolarHBondContact O-N 3.37Å |
| 230 | V | 84.1 | Confident | 81.3 | Confident | 21 Ų | 21 | 78.3 Ų | 78.3 | 13% | 0.127 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 111 | V212 I215 F219 A226 G234 | V212-V230 HydrophobicContact CG1-CG1 3.77Å; I215-V230 HydrophobicContact CG2-CG2 4.47Å; F219-V230 HydrophobicContact CD2-CG2 3.93Å; F219-V230 HydrophobicContact CE2-CG2 4.33Å; A226-V230 HydrophobicContact CB-CG2 4.41Å; A226-V230 VanDerWaalsContact O-CB 3.24Å; A226-V230 WeakPolarHBondContact O-CB 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.09Å; A226-V230 PolarHBondContact O-N 3.31Å; V230-G234 PolarHBondContact O-N 3Å |
| 231 | Q | 85 | Confident | 82.9 | Confident | 131 Ų | 131 | 73.4 Ų | 73.4 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65 | -44.7 | 175.3 | -74.6 | 176.9 | 15.1 | 0 | 0 | 112.3 | N227 G234 R235 | N227-Q231 WeakPolarHBondContact O-CB 3.5Å; N227-Q231 WeakPolarHBondContact O-CG 3.43Å; N227-Q231 PolarHBondContact O-N 2.93Å; Q231-G234 PolarHBondContact O-N 3.13Å; Q231-R235 WeakPolarHBondContact O-CB 3.27Å; Q231-R235 PolarHBondContact O-N 3.46Å |
| 232 | T | 87.1 | Confident | 84 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 31% | 0.307 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.9 | -50.2 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | A228 N229 G234 R235 E236 | A228-T232 WeakPolarHBondContact O-CB 3.38Å; A228-T232 PolarHBondContact O-N 2.83Å; A228-T232 PolarHBondContact O-OG1 3.33Å; N229-T232 PolarHBondContact O-N 3.23Å; T232-G234 PolarHBondContact O-N 3.48Å; T232-R235 WeakPolarHBondContact O-CB 3.29Å; T232-R235 PolarHBondContact O-N 3.28Å; T232-E236 HydrophobicContact CG2-CG 4.48Å; T232-E236 VanDerWaalsContact O-CG 3.3Å; T232-E236 WeakPolarHBondContact O-CG 3.27Å; T232-E236 PolarHBondContact O-N 3.17Å |
| 233 | L | 89.2 | Confident | 85.3 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 11% | 0.105 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59 | -47.8 | 176.5 | 177.3 | 76.1 | 0 | 0 | 0 | 112.1 | V212 I215 N229 R235 E236 L237 Y270 | V212-L233 HydrophobicContact CG2-CD2 4.48Å; I215-L233 HydrophobicContact CB-CD2 4.04Å; I215-L233 HydrophobicContact CD1-CD1 4.46Å; I215-L233 HydrophobicContact CD1-CD2 3.3Å; I215-L233 HydrophobicContact CD1-CG 4.5Å; I215-L233 HydrophobicContact CG1-CD2 4.21Å; I215-L233 HydrophobicContact CG2-CD2 4.08Å; N229-L233 WeakPolarHBondContact O-CB 3.02Å; N229-L233 PolarHBondContact O-N 3.37Å; L233-R235 PolarHBondContact O-N 2.98Å; L233-E236 PolarHBondContact O-N 3.07Å; L233-E236 VanDerWaalsContact O-N 3.15Å; L233-L237 HydrophobicContact CD1-CD1 3.93Å; L233-L237 HydrophobicContact CD1-CG 3.97Å; L233-L237 HydrophobicContact CD2-CD1 4.25Å; L233-L237 HydrophobicContact CG-CD1 3.83Å; L233-L237 HydrophobicContact CG-CG 4.18Å; L233-L237 WeakPolarHBondContact O-CB 3.2Å; L233-L237 WeakPolarHBondContact O-CG 3.46Å; L233-L237 PolarHBondContact O-N 2.66Å; L233-Y270 WeakPolarHBondContact CD1-OH 3.24Å |
| 234 | G | 91 | Very high | 86.8 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.8 | -38.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V230 Q231 T232 S238 | V230-G234 PolarHBondContact O-N 3Å; Q231-G234 PolarHBondContact O-N 3.13Å; T232-G234 PolarHBondContact O-N 3.48Å; G234-S238 VanDerWaalsContact O-CB 3.27Å; G234-S238 WeakPolarHBondContact O-CB 3.44Å; G234-S238 PolarHBondContact O-N 3.49Å; G234-S238 VanDerWaalsContact O-N 3.11Å; G234-S238 PolarHBondContact O-OG 3.28Å |
| 235 | R | 91.3 | Very high | 88.2 | Confident | 156 Ų | 156 | 53.2 Ų | 53.2 | 59% | 0.589 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.1 | -50.3 | 173.1 | -177.4 | -179.7 | 63.3 | -157.5 | -3.5 | 111.5 | Q231 T232 L233 L237 S238 E239 | Q231-R235 WeakPolarHBondContact O-CB 3.27Å; Q231-R235 PolarHBondContact O-N 3.46Å; T232-R235 WeakPolarHBondContact O-CB 3.29Å; T232-R235 PolarHBondContact O-N 3.28Å; L233-R235 PolarHBondContact O-N 2.98Å; R235-L237 PolarHBondContact O-N 3.08Å; R235-S238 WeakPolarHBondContact O-CB 3.34Å; R235-S238 PolarHBondContact O-N 2.98Å; R235-E239 PolarHBondContact O-N 3.45Å |
| 236 | E | 94.3 | Very high | 89.6 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 13% | 0.131 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | -177.3 | -64.1 | 177.1 | 159.2 | 0 | 0 | 113 | T232 L233 S238 E239 A240 Y270 R277 | T232-E236 HydrophobicContact CG2-CG 4.48Å; T232-E236 VanDerWaalsContact O-CG 3.3Å; T232-E236 WeakPolarHBondContact O-CG 3.27Å; T232-E236 PolarHBondContact O-N 3.17Å; L233-E236 PolarHBondContact O-N 3.07Å; L233-E236 VanDerWaalsContact O-N 3.15Å; E236-S238 VanDerWaalsContact C-N 3.31Å; E236-S238 PolarHBondContact O-N 3.49Å; E236-E239 WeakPolarHBondContact O-CB 3.34Å; E236-E239 PolarHBondContact O-N 2.91Å; E236-A240 WeakPolarHBondContact O-CB 3.47Å; E236-A240 PolarHBondContact O-N 3.5Å; E236-Y270 HydrophobicContact CB-CD2 4.09Å; E236-Y270 HydrophobicContact CB-CE2 3.51Å; E236-Y270 HydrophobicContact CG-CE2 4.31Å; E236-Y270 WeakPolarHBondContact OE2-CE2 3.36Å; E236-Y270 PolarHBondContact OE2-OH 2.77Å; E236-R277 IonicContact OE1-NH1 3.36Å; E236-R277 PolarHBondContact OE1-NH1 2.71Å |
| 237 | L | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.7 | -35.3 | 175.4 | -71.7 | 179.8 | 0 | 0 | 0 | 111.7 | V208 E211 V212 L233 R235 E239 A240 K241 F267 Y270 | V208-L237 HydrophobicContact CG1-CB 3.96Å; V208-L237 HydrophobicContact CG2-CB 4.05Å; E211-L237 HydrophobicContact CB-CD1 3.96Å; V212-L237 HydrophobicContact CG2-CD1 4.37Å; L233-L237 HydrophobicContact CD1-CD1 3.93Å; L233-L237 HydrophobicContact CD1-CG 3.97Å; L233-L237 HydrophobicContact CD2-CD1 4.25Å; L233-L237 HydrophobicContact CG-CD1 3.83Å; L233-L237 HydrophobicContact CG-CG 4.18Å; L233-L237 WeakPolarHBondContact O-CB 3.2Å; L233-L237 WeakPolarHBondContact O-CG 3.46Å; L233-L237 PolarHBondContact O-N 2.66Å; R235-L237 PolarHBondContact O-N 3.08Å; L237-E239 VanDerWaalsContact C-N 3.31Å; L237-A240 PolarHBondContact O-N 3.22Å; L237-K241 WeakPolarHBondContact O-CB 3.37Å; L237-K241 PolarHBondContact O-N 3.11Å; L237-F267 HydrophobicContact CD2-CE1 4.3Å; L237-Y270 HydrophobicContact CD2-CD1 4.24Å; L237-Y270 HydrophobicContact CD2-CD2 4.23Å; L237-Y270 HydrophobicContact CD2-CG 4.03Å |
| 238 | S | 94.8 | Very high | 91.7 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 174.9 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | G234 R235 E236 K241 A242 | G234-S238 VanDerWaalsContact O-CB 3.27Å; G234-S238 WeakPolarHBondContact O-CB 3.44Å; G234-S238 PolarHBondContact O-N 3.49Å; G234-S238 VanDerWaalsContact O-N 3.11Å; G234-S238 PolarHBondContact O-OG 3.28Å; R235-S238 WeakPolarHBondContact O-CB 3.34Å; R235-S238 PolarHBondContact O-N 2.98Å; E236-S238 VanDerWaalsContact C-N 3.31Å; E236-S238 PolarHBondContact O-N 3.49Å; S238-K241 WeakPolarHBondContact O-CB 3.5Å; S238-A242 PolarHBondContact O-N 2.85Å |
| 239 | E | 95.7 | Very high | 92.3 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.6 | -46.3 | 174.5 | -173.3 | 179.8 | 162.8 | 0 | 0 | 111.8 | R235 E236 L237 K241 A242 L243 L273 R277 | R235-E239 PolarHBondContact O-N 3.45Å; E236-E239 WeakPolarHBondContact O-CB 3.34Å; E236-E239 PolarHBondContact O-N 2.91Å; L237-E239 VanDerWaalsContact C-N 3.31Å; E239-K241 VanDerWaalsContact C-N 3.27Å; E239-K241 PolarHBondContact O-N 3.34Å; E239-A242 WeakPolarHBondContact O-CB 3.35Å; E239-A242 PolarHBondContact O-N 3.38Å; E239-A242 VanDerWaalsContact O-N 3.08Å; E239-L243 PolarHBondContact O-N 2.89Å; E239-L273 HydrophobicContact CG-CD1 4.14Å; E239-R277 IonicContact OE1-NH2 2.86Å; E239-R277 PolarHBondContact OE1-NH2 2.93Å; E239-R277 IonicContact OE2-CZ 3.81Å; E239-R277 IonicContact OE2-NH2 2.6Å; E239-R277 PolarHBondContact OE2-NH2 3.38Å |
| 240 | A | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57 | -42.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E236 L237 L243 L244 L266 V269 L273 | E236-A240 WeakPolarHBondContact O-CB 3.47Å; E236-A240 PolarHBondContact O-N 3.5Å; L237-A240 PolarHBondContact O-N 3.22Å; A240-L243 PolarHBondContact O-N 2.9Å; A240-L244 WeakPolarHBondContact O-CB 3.44Å; A240-L244 PolarHBondContact O-N 3.01Å; A240-L266 HydrophobicContact CB-CD1 3.9Å; A240-V269 HydrophobicContact CB-CB 4.45Å; A240-V269 HydrophobicContact CB-CG1 4.08Å; A240-V269 WeakPolarHBondContact O-CG1 3.47Å; A240-L273 HydrophobicContact CB-CD1 4.01Å |
| 241 | K | 97 | Very high | 93 | Very high | 31 Ų | 31 | 61.2 Ų | 61.2 | 14% | 0.135 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | 172.8 | 179.7 | -167.9 | 74.2 | 141.7 | 0 | 111.9 | D201 L204 R205 L237 S238 E239 L243 L244 L245 L266 | D201-K241 IonicContact OD1-NZ 3.85Å; D201-K241 PolarHBondContact OD1-NZ 3.35Å; L204-K241 HydrophobicContact CB-CD 3.87Å; L204-K241 HydrophobicContact CB-CG 3.72Å; L204-K241 HydrophobicContact CD1-CG 4Å; L204-K241 HydrophobicContact CG-CG 4.42Å; R205-K241 HydrophobicContact CG-CD 4.31Å; L237-K241 WeakPolarHBondContact O-CB 3.37Å; L237-K241 PolarHBondContact O-N 3.11Å; S238-K241 WeakPolarHBondContact O-CB 3.5Å; E239-K241 VanDerWaalsContact C-N 3.27Å; E239-K241 PolarHBondContact O-N 3.34Å; K241-L243 VanDerWaalsContact C-N 3.29Å; K241-L243 PolarHBondContact O-N 3.08Å; K241-L244 PolarHBondContact O-N 3.07Å; K241-L245 HydrophobicContact CG-CD1 4.1Å; K241-L245 WeakPolarHBondContact O-CG 3.06Å; K241-L245 PolarHBondContact O-N 3.35Å; K241-L266 HydrophobicContact CB-CD1 4.01Å |
| 242 | A | 94.3 | Very high | 93 | Very high | 57 Ų | 57 | 55.9 Ų | 55.9 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S238 E239 K246 | S238-A242 PolarHBondContact O-N 2.85Å; E239-A242 WeakPolarHBondContact O-CB 3.35Å; E239-A242 PolarHBondContact O-N 3.38Å; E239-A242 VanDerWaalsContact O-N 3.08Å; A242-K246 PolarHBondContact O-N 3.11Å |
| 243 | L | 95.9 | Very high | 92.9 | Very high | 49 Ų | 49 | 59 Ų | 59 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 176.4 | -177.4 | 56.4 | 0 | 0 | 0 | 112.3 | E239 A240 K241 K246 R247 V269 L273 | E239-L243 PolarHBondContact O-N 2.89Å; A240-L243 PolarHBondContact O-N 2.9Å; K241-L243 VanDerWaalsContact C-N 3.29Å; K241-L243 PolarHBondContact O-N 3.08Å; L243-K246 WeakPolarHBondContact O-CB 3.44Å; L243-K246 PolarHBondContact O-N 3.15Å; L243-R247 WeakPolarHBondContact O-CG 3.4Å; L243-R247 PolarHBondContact O-N 2.95Å; L243-V269 HydrophobicContact CB-CG1 3.97Å; L243-V269 HydrophobicContact CD2-CG1 3.78Å; L243-V269 HydrophobicContact CG-CG1 3.95Å; L243-L273 HydrophobicContact CD2-CD1 4.3Å; L243-L273 HydrophobicContact CD2-CD2 3.83Å; L243-L273 HydrophobicContact CD2-CG 4.13Å |
| 244 | L | 97.3 | Very high | 92.8 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.5 | 177.9 | 56.8 | 0 | 0 | 0 | 111.4 | L204 A240 K241 K246 R247 L248 L265 L266 V269 | L204-L244 HydrophobicContact CD1-CD2 4Å; L204-L244 HydrophobicContact CD1-CG 4.44Å; L204-L244 HydrophobicContact CD2-CD2 3.77Å; A240-L244 WeakPolarHBondContact O-CB 3.44Å; A240-L244 PolarHBondContact O-N 3.01Å; K241-L244 PolarHBondContact O-N 3.07Å; L244-K246 VanDerWaalsContact C-N 3.28Å; L244-K246 PolarHBondContact O-N 2.94Å; L244-R247 PolarHBondContact O-N 3.07Å; L244-L248 HydrophobicContact CD1-CD1 4.33Å; L244-L248 HydrophobicContact CD1-CG 4.21Å; L244-L248 HydrophobicContact CG-CD1 4.2Å; L244-L248 WeakPolarHBondContact O-CG 3.21Å; L244-L248 PolarHBondContact O-N 3.28Å; L244-L265 HydrophobicContact CD1-CB 4.03Å; L244-L265 HydrophobicContact CD2-CB 3.99Å; L244-L266 HydrophobicContact CD2-CB 4.2Å; L244-V269 HydrophobicContact CB-CG2 4.2Å; L244-V269 HydrophobicContact CD1-CG2 4.22Å |
| 245 | L | 94.4 | Very high | 92.6 | Very high | 29 Ų | 29 | 66.2 Ų | 66.2 | 15% | 0.152 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 176.4 | -73.2 | 171.1 | 0 | 0 | 0 | 112.1 | L197 C200 D201 L204 K241 K249 | L197-L245 HydrophobicContact CD2-CD2 4.43Å; C200-L245 HydrophobicContact CB-CD2 3.89Å; D201-L245 HydrophobicContact CB-CD1 3.84Å; D201-L245 HydrophobicContact CB-CD2 4.25Å; L204-L245 HydrophobicContact CD1-CD2 3.9Å; L204-L245 HydrophobicContact CD1-CG 3.98Å; K241-L245 HydrophobicContact CG-CD1 4.1Å; K241-L245 WeakPolarHBondContact O-CG 3.06Å; K241-L245 PolarHBondContact O-N 3.35Å; L245-K249 WeakPolarHBondContact O-CB 3.21Å; L245-K249 PolarHBondContact O-N 3.29Å |
| 246 | K | 92.9 | Very high | 92.4 | Very high | 126 Ų | 126 | 61 Ų | 61 | 55% | 0.548 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 174 | -174.9 | 178.4 | 179.4 | 179 | 0 | 111.5 | A242 L243 L244 K249 Q250 | A242-K246 PolarHBondContact O-N 3.11Å; L243-K246 WeakPolarHBondContact O-CB 3.44Å; L243-K246 PolarHBondContact O-N 3.15Å; L244-K246 VanDerWaalsContact C-N 3.28Å; L244-K246 PolarHBondContact O-N 2.94Å; K246-K249 PolarHBondContact O-N 3.27Å; K246-Q250 VanDerWaalsContact O-CG 3.29Å; K246-Q250 WeakPolarHBondContact O-CG 3.24Å; K246-Q250 PolarHBondContact O-N 3.47Å |
| 247 | R | 95.2 | Very high | 92.2 | Very high | 84 Ų | 84 | 60.5 Ų | 60.5 | 32% | 0.317 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -49.2 | 176.5 | -70 | 176.4 | -174.1 | -170.7 | 2.1 | 111.1 | L243 L244 K249 Q250 S251 Q272 | L243-R247 WeakPolarHBondContact O-CG 3.4Å; L243-R247 PolarHBondContact O-N 2.95Å; L244-R247 PolarHBondContact O-N 3.07Å; R247-K249 VanDerWaalsContact C-N 3.31Å; R247-K249 PolarHBondContact O-N 3.01Å; R247-Q250 PolarHBondContact O-N 2.98Å; R247-Q250 VanDerWaalsContact O-N 3.08Å; R247-S251 PolarHBondContact O-N 2.95Å; R247-S251 PolarHBondContact O-OG 2.94Å; R247-S251 VanDerWaalsContact O-OG 3.12Å; R247-Q272 VanDerWaalsContact CZ-OE1 3.32Å |
| 248 | L | 93.2 | Very high | 92 | Very high | 21 Ų | 21 | 63.1 Ų | 63.1 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.7 | -40.8 | 177 | -70.1 | 174.1 | 0 | 0 | 0 | 112.4 | L197 C200 L244 Q250 S251 F254 | L197-L248 HydrophobicContact CD2-CB 3.96Å; C200-L248 HydrophobicContact CB-CD1 4.4Å; L244-L248 HydrophobicContact CD1-CD1 4.33Å; L244-L248 HydrophobicContact CD1-CG 4.21Å; L244-L248 HydrophobicContact CG-CD1 4.2Å; L244-L248 WeakPolarHBondContact O-CG 3.21Å; L244-L248 PolarHBondContact O-N 3.28Å; L248-Q250 VanDerWaalsContact C-N 3.32Å; L248-Q250 PolarHBondContact O-N 3.19Å; L248-S251 PolarHBondContact O-N 2.99Å; L248-F254 HydrophobicContact CB-CE1 3.89Å; L248-F254 HydrophobicContact CB-CZ 4.1Å; L248-F254 HydrophobicContact CD1-CZ 4.4Å |
| 249 | K | 89.5 | Confident | 91.9 | Very high | 113 Ų | 113 | 63.9 Ų | 63.9 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 176 | -176.4 | 179.1 | 177.9 | -175.6 | 0 | 112 | L197 L245 K246 R247 | L197-K249 HydrophobicContact CD1-CB 3.86Å; L197-K249 HydrophobicContact CD1-CD 4.43Å; L197-K249 HydrophobicContact CD1-CG 3.9Å; L197-K249 HydrophobicContact CD2-CB 4.12Å; L245-K249 WeakPolarHBondContact O-CB 3.21Å; L245-K249 PolarHBondContact O-N 3.29Å; K246-K249 PolarHBondContact O-N 3.27Å; R247-K249 VanDerWaalsContact C-N 3.31Å; R247-K249 PolarHBondContact O-N 3.01Å |
| 250 | Q | 90.9 | Very high | 91.8 | Very high | 140 Ų | 140 | 67.2 Ų | 67.2 | 65% | 0.654 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -75.4 | -25.6 | -179.8 | -72 | 172.9 | -21.1 | 0 | 0 | 113.2 | K246 R247 L248 G252 | K246-Q250 VanDerWaalsContact O-CG 3.29Å; K246-Q250 WeakPolarHBondContact O-CG 3.24Å; K246-Q250 PolarHBondContact O-N 3.47Å; R247-Q250 PolarHBondContact O-N 2.98Å; R247-Q250 VanDerWaalsContact O-N 3.08Å; L248-Q250 VanDerWaalsContact C-N 3.32Å; L248-Q250 PolarHBondContact O-N 3.19Å; Q250-G252 PolarHBondContact O-N 3.49Å |
| 251 | S | 88.8 | Confident | 91.8 | Very high | 95 Ų | 95 | 72.1 Ų | 72.1 | 66% | 0.664 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -7.5 | 176.7 | -61.7 | 0 | 0 | 0 | 0 | 114.3 | R247 L248 | R247-S251 PolarHBondContact O-N 2.95Å; R247-S251 PolarHBondContact O-OG 2.94Å; R247-S251 VanDerWaalsContact O-OG 3.12Å; L248-S251 PolarHBondContact O-N 2.99Å |
| 252 | G | 85.4 | Confident | 91.8 | Very high | 20 Ų | 20 | 70.7 Ų | 70.7 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | trans | 81.7 | -162.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L193 Q250 F254 | L193-G252 VanDerWaalsContact CD1-O 3.29Å; L193-G252 WeakPolarHBondContact CD1-O 3.35Å; Q250-G252 PolarHBondContact O-N 3.49Å; G252-F254 WeakPolarHBondContact O-CD1 3.5Å; G252-F254 PolarHBondContact O-N 3.48Å | ||
| 253 | P | 85.5 | Confident | 91.9 | Very high | 115 Ų | 115 | 71.8 Ų | 71.8 | 75% | 0.747 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -58.9 | 133.4 | 178.6 | -21.9 | 33.4 | 0 | 0 | 0 | 112.1 | ||
| 254 | F | 86 | Confident | 92 | Very high | 34 Ų | 34 | 76 Ų | 76 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | trans | -141.6 | 157.2 | 179 | 63.3 | -91.9 | 0 | 0 | 0 | 110.2 | L193 N196 L197 L248 G252 | L193-F254 HydrophobicContact CD1-CD1 3.73Å; L193-F254 HydrophobicContact CD1-CE1 3.46Å; L193-F254 VanDerWaalsContact CD1-CE1 3.46Å; N196-F254 HydrophobicContact CB-CD2 4.4Å; N196-F254 HydrophobicContact CB-CE2 3.77Å; N196-F254 HydrophobicContact CB-CZ 3.91Å; N196-F254 PolarHBondContact ND2-O 3.36Å; L197-F254 HydrophobicContact CD2-CE1 3.93Å; L197-F254 HydrophobicContact CD2-CZ 3.98Å; L197-F254 HydrophobicContact CG-CE1 4.1Å; L197-F254 HydrophobicContact CG-CZ 4.18Å; L248-F254 HydrophobicContact CB-CE1 3.89Å; L248-F254 HydrophobicContact CB-CZ 4.1Å; L248-F254 HydrophobicContact CD1-CZ 4.4Å; G252-F254 WeakPolarHBondContact O-CD1 3.5Å; G252-F254 PolarHBondContact O-N 3.48Å | ||
| 255 | E | 87.7 | Confident | 92.1 | Very high | 153 Ų | 153 | 77.8 Ų | 77.8 | 72% | 0.715 | 40% | 0.397 | S | S | * | . | trans | -80.5 | 142.9 | 170.8 | -66.4 | -171.5 | 167.2 | 0 | 0 | 110.9 | P257 | E255-P257 WeakPolarHBondContact O-CD 3.41Å; E255-P257 VanDerWaalsContact O-N 3.08Å | ||
| 256 | M | 87.4 | Confident | 92.3 | Very high | 45 Ų | 45 | 76.4 Ų | 76.4 | 22% | 0.222 | 39% | 0.39 | C | S | . | . | trans | -56.2 | 115.4 | 179.9 | -179.9 | 67.2 | -169.2 | 0 | 0 | 110.7 | R199 A203 L262 | R199-M256 HydrophobicContact CB-CE 3.93Å; R199-M256 HydrophobicContact CB-SD 3.57Å; R199-M256 VanDerWaalsContact CB-SD 3.57Å; A203-M256 HydrophobicContact CB-CE 4.2Å; M256-L262 HydrophobicContact CE-CD1 3.7Å | ||
| 257 | P | 90.7 | Very high | 92.5 | Very high | 19 Ų | 19 | 73.4 Ų | 73.4 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | trans | -68.8 | 157.5 | -179.5 | -14.9 | 29 | 0 | 0 | 0 | 111.5 | E255 E261 L262 | E255-P257 WeakPolarHBondContact O-CD 3.41Å; E255-P257 VanDerWaalsContact O-N 3.08Å; P257-E261 HydrophobicContact CB-CB 4.29Å; P257-E261 HydrophobicContact CB-CG 4.23Å; P257-L262 HydrophobicContact CB-CD2 4.12Å; P257-L262 HydrophobicContact CB-CG 4.07Å; P257-L262 HydrophobicContact CG-CD2 3.93Å; P257-L262 HydrophobicContact CG-CG 4.37Å | ||
| 258 | A | 92.6 | Very high | 92.6 | Very high | 54 Ų | 54 | 74 Ų | 74 | 45% | 0.446 | 38% | 0.383 | S | S | . | . | trans | -61.8 | 154.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | E260 E261 L262 | A258-E260 VanDerWaalsContact C-N 3.27Å; A258-E260 PolarHBondContact O-N 3.15Å; A258-E261 HydrophobicContact CB-CB 4.24Å; A258-E261 WeakPolarHBondContact O-CB 3.48Å; A258-E261 PolarHBondContact O-N 2.86Å; A258-E261 VanDerWaalsContact O-N 3.1Å; A258-L262 PolarHBondContact O-N 2.91Å | ||
| 259 | V | 91.2 | Very high | 92.9 | Very high | 73 Ų | 73 | 73.2 Ų | 73.2 | 44% | 0.442 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.7 | -39.3 | -178.7 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | I207 E261 L262 K263 | I207-V259 HydrophobicContact CD1-CG1 4.16Å; I207-V259 HydrophobicContact CG1-CG1 4.35Å; V259-E261 VanDerWaalsContact C-N 3.32Å; V259-E261 PolarHBondContact O-N 2.93Å; V259-L262 PolarHBondContact O-N 3.46Å; V259-K263 WeakPolarHBondContact O-CB 3.47Å; V259-K263 PolarHBondContact O-N 2.96Å |
| 260 | E | 94.7 | Very high | 93.2 | Very high | 145 Ų | 145 | 68.5 Ų | 68.5 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.8 | -37.6 | 176.3 | -69.3 | 66.2 | -149.2 | 0 | 0 | 111.8 | A258 K263 K264 | A258-E260 VanDerWaalsContact C-N 3.27Å; A258-E260 PolarHBondContact O-N 3.15Å; E260-K263 PolarHBondContact O-N 3.01Å; E260-K264 PolarHBondContact O-N 3.3Å |
| 261 | E | 96.7 | Very high | 93.5 | Very high | 104 Ų | 104 | 66.7 Ų | 66.7 | 49% | 0.486 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.1 | -45.9 | 176.3 | -173.3 | 178.4 | -173.2 | 0 | 0 | 111.3 | P257 A258 V259 K263 K264 L265 | P257-E261 HydrophobicContact CB-CB 4.29Å; P257-E261 HydrophobicContact CB-CG 4.23Å; A258-E261 HydrophobicContact CB-CB 4.24Å; A258-E261 WeakPolarHBondContact O-CB 3.48Å; A258-E261 PolarHBondContact O-N 2.86Å; A258-E261 VanDerWaalsContact O-N 3.1Å; V259-E261 VanDerWaalsContact C-N 3.32Å; V259-E261 PolarHBondContact O-N 2.93Å; E261-K263 PolarHBondContact O-N 2.89Å; E261-K264 WeakPolarHBondContact O-CB 3.19Å; E261-K264 PolarHBondContact O-N 2.91Å; E261-K264 VanDerWaalsContact O-N 3.13Å; E261-L265 HydrophobicContact CG-CD1 4.29Å; E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 3.44Å |
| 262 | L | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.6 | -39.8 | 173 | -75.8 | 178.3 | 0 | 0 | 0 | 111.9 | A203 L204 I207 M256 P257 A258 V259 L266 | A203-L262 HydrophobicContact CB-CD1 3.74Å; L204-L262 HydrophobicContact CD2-CB 4.14Å; I207-L262 HydrophobicContact CD1-CB 4.11Å; M256-L262 HydrophobicContact CE-CD1 3.7Å; P257-L262 HydrophobicContact CB-CD2 4.12Å; P257-L262 HydrophobicContact CB-CG 4.07Å; P257-L262 HydrophobicContact CG-CD2 3.93Å; P257-L262 HydrophobicContact CG-CG 4.37Å; A258-L262 PolarHBondContact O-N 2.91Å; V259-L262 PolarHBondContact O-N 3.46Å; L262-L266 VanDerWaalsContact O-CB 3.29Å; L262-L266 WeakPolarHBondContact O-CB 3.49Å; L262-L266 PolarHBondContact O-N 3.35Å |
| 263 | K | 97.8 | Very high | 94.2 | Very high | 81 Ų | 81 | 66 Ų | 66 | 35% | 0.352 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 175.3 | -173.3 | 174 | -174.2 | 169.4 | 0 | 110.4 | I207 E211 V259 E260 E261 L265 L266 F267 | I207-K263 HydrophobicContact CD1-CB 4.06Å; I207-K263 HydrophobicContact CG2-CB 4.34Å; I207-K263 HydrophobicContact CG2-CD 4.46Å; I207-K263 HydrophobicContact CG2-CG 3.98Å; E211-K263 WeakPolarHBondContact OE1-CE 3.33Å; E211-K263 IonicContact OE1-NZ 2.72Å; E211-K263 PolarHBondContact OE1-NZ 3.36Å; V259-K263 WeakPolarHBondContact O-CB 3.47Å; V259-K263 PolarHBondContact O-N 2.96Å; E260-K263 PolarHBondContact O-N 3.01Å; E261-K263 PolarHBondContact O-N 2.89Å; K263-L265 PolarHBondContact O-N 3.29Å; K263-L266 PolarHBondContact O-N 2.99Å; K263-F267 HydrophobicContact CD-CE2 4.49Å; K263-F267 HydrophobicContact CG-CD2 3.9Å; K263-F267 HydrophobicContact CG-CE2 3.84Å; K263-F267 VanDerWaalsContact O-CD2 3.24Å; K263-F267 WeakPolarHBondContact O-CD2 3.49Å; K263-F267 PolarHBondContact O-N 3.42Å; K263-F267 VanDerWaalsContact O-N 3.08Å |
| 264 | K | 98 | Very high | 94.6 | Very high | 137 Ų | 137 | 64.1 Ų | 64.1 | 60% | 0.596 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.9 | -51 | 177.4 | -171.6 | -174 | 178.1 | -163.1 | 0 | 111.5 | E260 E261 L266 F267 E268 | E260-K264 PolarHBondContact O-N 3.3Å; E261-K264 WeakPolarHBondContact O-CB 3.19Å; E261-K264 PolarHBondContact O-N 2.91Å; E261-K264 VanDerWaalsContact O-N 3.13Å; K264-L266 VanDerWaalsContact C-N 3.33Å; K264-L266 PolarHBondContact O-N 3.41Å; K264-F267 PolarHBondContact O-N 2.9Å; K264-E268 WeakPolarHBondContact CE-OE1 3.42Å; K264-E268 IonicContact NZ-OE1 3.89Å; K264-E268 WeakPolarHBondContact O-CG 3.47Å; K264-E268 PolarHBondContact O-N 2.99Å |
| 265 | L | 98.2 | Very high | 94.8 | Very high | 46 Ų | 46 | 67.8 Ų | 67.8 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 178.5 | -69.2 | 172.2 | 0 | 0 | 0 | 112.4 | L244 E261 K263 F267 E268 V269 | L244-L265 HydrophobicContact CD1-CB 4.03Å; L244-L265 HydrophobicContact CD2-CB 3.99Å; E261-L265 HydrophobicContact CG-CD1 4.29Å; E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 3.44Å; K263-L265 PolarHBondContact O-N 3.29Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 2.6Å; L265-E268 PolarHBondContact O-N 2.99Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.35Å |
| 266 | L | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 176.8 | 177.2 | 66.1 | 0 | 0 | 0 | 111.2 | L204 I207 V208 A240 K241 L244 L262 K263 K264 V269 Y270 | L204-L266 HydrophobicContact CD2-CB 4.04Å; L204-L266 HydrophobicContact CD2-CD1 4.4Å; L204-L266 HydrophobicContact CD2-CD2 4.28Å; L204-L266 HydrophobicContact CD2-CG 4.48Å; I207-L266 HydrophobicContact CB-CD2 4.46Å; I207-L266 HydrophobicContact CG2-CD2 3.82Å; V208-L266 HydrophobicContact CG2-CD2 3.94Å; A240-L266 HydrophobicContact CB-CD1 3.9Å; K241-L266 HydrophobicContact CB-CD1 4.01Å; L244-L266 HydrophobicContact CD2-CB 4.2Å; L262-L266 VanDerWaalsContact O-CB 3.29Å; L262-L266 WeakPolarHBondContact O-CB 3.49Å; L262-L266 PolarHBondContact O-N 3.35Å; K263-L266 PolarHBondContact O-N 2.99Å; K264-L266 VanDerWaalsContact C-N 3.33Å; K264-L266 PolarHBondContact O-N 3.41Å; L266-V269 PolarHBondContact O-N 3.37Å; L266-Y270 WeakPolarHBondContact O-CB 3.32Å; L266-Y270 PolarHBondContact O-N 2.82Å |
| 267 | F | 97.8 | Very high | 95 | Very high | 62 Ų | 62 | 65.7 Ų | 65.7 | 27% | 0.272 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.9 | -33.4 | 179.4 | -81.6 | -73.4 | 0 | 0 | 0 | 112.7 | E211 L237 K263 K264 L265 Y270 Q271 | E211-F267 HydrophobicContact CG-CE2 4.13Å; E211-F267 HydrophobicContact CG-CZ 3.78Å; L237-F267 HydrophobicContact CD2-CE1 4.3Å; K263-F267 HydrophobicContact CD-CE2 4.49Å; K263-F267 HydrophobicContact CG-CD2 3.9Å; K263-F267 HydrophobicContact CG-CE2 3.84Å; K263-F267 VanDerWaalsContact O-CD2 3.24Å; K263-F267 WeakPolarHBondContact O-CD2 3.49Å; K263-F267 PolarHBondContact O-N 3.42Å; K263-F267 VanDerWaalsContact O-N 3.08Å; K264-F267 PolarHBondContact O-N 2.9Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 2.6Å; F267-Y270 HydrophobicContact CD1-CD1 4.02Å; F267-Y270 HydrophobicContact CE1-CD1 4.45Å; F267-Y270 PolarHBondContact O-N 2.8Å; F267-Q271 VanDerWaalsContact O-CG 3.26Å; F267-Q271 WeakPolarHBondContact O-CG 3.4Å; F267-Q271 PolarHBondContact O-N 2.86Å |
| 268 | E | 97.8 | Very high | 94.7 | Very high | 97 Ų | 97 | 70 Ų | 70 | 45% | 0.453 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 171.3 | -73.4 | 172.9 | -174.8 | 0 | 0 | 111.3 | K264 L265 Y270 Q271 Q272 | K264-E268 WeakPolarHBondContact CE-OE1 3.42Å; K264-E268 IonicContact NZ-OE1 3.89Å; K264-E268 WeakPolarHBondContact O-CG 3.47Å; K264-E268 PolarHBondContact O-N 2.99Å; L265-E268 PolarHBondContact O-N 2.99Å; E268-Y270 VanDerWaalsContact C-N 3.31Å; E268-Y270 PolarHBondContact O-N 2.77Å; E268-Q271 PolarHBondContact O-N 3.15Å; E268-Q272 WeakPolarHBondContact O-CB 3.19Å; E268-Q272 PolarHBondContact O-N 3.19Å |
| 269 | V | 98.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 70.6 Ų | 70.6 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 176 | 177 | 0 | 0 | 0 | 0 | 111.3 | A240 L243 L244 L265 L266 Q272 L273 | A240-V269 HydrophobicContact CB-CB 4.45Å; A240-V269 HydrophobicContact CB-CG1 4.08Å; A240-V269 WeakPolarHBondContact O-CG1 3.47Å; L243-V269 HydrophobicContact CB-CG1 3.97Å; L243-V269 HydrophobicContact CD2-CG1 3.78Å; L243-V269 HydrophobicContact CG-CG1 3.95Å; L244-V269 HydrophobicContact CB-CG2 4.2Å; L244-V269 HydrophobicContact CD1-CG2 4.22Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.35Å; L266-V269 PolarHBondContact O-N 3.37Å; V269-Q272 PolarHBondContact O-N 3.37Å; V269-L273 HydrophobicContact CG1-CD1 4.36Å; V269-L273 WeakPolarHBondContact O-CG 3.48Å; V269-L273 PolarHBondContact O-N 3.09Å |
| 270 | Y | 97.5 | Very high | 93.5 | Very high | 14 Ų | 14 | 72.1 Ų | 72.1 | 6% | 0.055 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 177 | 172.3 | -122.7 | 0 | 0 | 0 | 112.8 | L233 E236 L237 L266 F267 E268 Q272 L273 K274 | L233-Y270 WeakPolarHBondContact CD1-OH 3.24Å; E236-Y270 HydrophobicContact CB-CD2 4.09Å; E236-Y270 HydrophobicContact CB-CE2 3.51Å; E236-Y270 HydrophobicContact CG-CE2 4.31Å; E236-Y270 WeakPolarHBondContact OE2-CE2 3.36Å; E236-Y270 PolarHBondContact OE2-OH 2.77Å; L237-Y270 HydrophobicContact CD2-CD1 4.24Å; L237-Y270 HydrophobicContact CD2-CD2 4.23Å; L237-Y270 HydrophobicContact CD2-CG 4.03Å; L266-Y270 WeakPolarHBondContact O-CB 3.32Å; L266-Y270 PolarHBondContact O-N 2.82Å; F267-Y270 HydrophobicContact CD1-CD1 4.02Å; F267-Y270 HydrophobicContact CE1-CD1 4.45Å; F267-Y270 PolarHBondContact O-N 2.8Å; E268-Y270 VanDerWaalsContact C-N 3.31Å; E268-Y270 PolarHBondContact O-N 2.77Å; Y270-Q272 VanDerWaalsContact C-N 3.32Å; Y270-Q272 PolarHBondContact O-N 2.98Å; Y270-L273 PolarHBondContact O-N 3.07Å; Y270-K274 HydrophobicContact CE1-CD 4.17Å; Y270-K274 HydrophobicContact CE2-CD 4.14Å; Y270-K274 HydrophobicContact CE2-CG 4.21Å; Y270-K274 PolarHBondContact O-N 3.25Å; Y270-K274 VanDerWaalsContact O-N 3.07Å; Y270-K274 WeakPolarHBondContact OH-CE 3.28Å; Y270-K274 PolarHBondContact OH-NZ 3.15Å |
| 271 | Q | 96.5 | Very high | 92.6 | Very high | 101 Ų | 101 | 68.7 Ų | 68.7 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 177.5 | -68.1 | -63.3 | -8.3 | 0 | 0 | 111.4 | F267 E268 K274 L275 | F267-Q271 VanDerWaalsContact O-CG 3.26Å; F267-Q271 WeakPolarHBondContact O-CG 3.4Å; F267-Q271 PolarHBondContact O-N 2.86Å; E268-Q271 PolarHBondContact O-N 3.15Å; Q271-K274 WeakPolarHBondContact O-CB 3.26Å; Q271-K274 PolarHBondContact O-N 3.36Å; Q271-L275 WeakPolarHBondContact O-CG 2.96Å; Q271-L275 PolarHBondContact O-N 3.5Å |
| 272 | Q | 95.1 | Very high | 91.3 | Very high | 77 Ų | 77 | 69.7 Ų | 69.7 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 173.8 | -173.8 | 179.1 | 4.1 | 0 | 0 | 111.5 | R247 E268 V269 Y270 K274 L275 D276 | R247-Q272 VanDerWaalsContact CZ-OE1 3.32Å; E268-Q272 WeakPolarHBondContact O-CB 3.19Å; E268-Q272 PolarHBondContact O-N 3.19Å; V269-Q272 PolarHBondContact O-N 3.37Å; Y270-Q272 VanDerWaalsContact C-N 3.32Å; Y270-Q272 PolarHBondContact O-N 2.98Å; Q272-K274 PolarHBondContact O-N 3.33Å; Q272-L275 PolarHBondContact O-N 3.49Å; Q272-L275 VanDerWaalsContact O-N 3.09Å; Q272-D276 VanDerWaalsContact O-CG 3.26Å; Q272-D276 PolarHBondContact O-N 3.22Å |
| 273 | L | 94.4 | Very high | 89.5 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 13% | 0.131 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.5 | -35.1 | 177.2 | -74.7 | 173.3 | 0 | 0 | 0 | 112.8 | E239 A240 L243 V269 Y270 R277 | E239-L273 HydrophobicContact CG-CD1 4.14Å; A240-L273 HydrophobicContact CB-CD1 4.01Å; L243-L273 HydrophobicContact CD2-CD1 4.3Å; L243-L273 HydrophobicContact CD2-CD2 3.83Å; L243-L273 HydrophobicContact CD2-CG 4.13Å; V269-L273 HydrophobicContact CG1-CD1 4.36Å; V269-L273 WeakPolarHBondContact O-CG 3.48Å; V269-L273 PolarHBondContact O-N 3.09Å; Y270-L273 PolarHBondContact O-N 3.07Å; L273-R277 VanDerWaalsContact O-CG 3.28Å; L273-R277 WeakPolarHBondContact O-CG 3.46Å; L273-R277 PolarHBondContact O-N 3.27Å |
| 274 | K | 92.3 | Very high | 87.7 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 33% | 0.326 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 174 | -83.8 | -173.1 | 159.1 | 176.3 | 0 | 112.4 | Y270 Q271 Q272 R277 L278 | Y270-K274 HydrophobicContact CE1-CD 4.17Å; Y270-K274 HydrophobicContact CE2-CD 4.14Å; Y270-K274 HydrophobicContact CE2-CG 4.21Å; Y270-K274 PolarHBondContact O-N 3.25Å; Y270-K274 VanDerWaalsContact O-N 3.07Å; Y270-K274 WeakPolarHBondContact OH-CE 3.28Å; Y270-K274 PolarHBondContact OH-NZ 3.15Å; Q271-K274 WeakPolarHBondContact O-CB 3.26Å; Q271-K274 PolarHBondContact O-N 3.36Å; Q272-K274 PolarHBondContact O-N 3.33Å; K274-R277 PolarHBondContact O-N 2.93Å; K274-L278 WeakPolarHBondContact O-CG 3.45Å; K274-L278 PolarHBondContact O-N 3.31Å; K274-L278 VanDerWaalsContact O-N 3.15Å |
| 275 | L | 91.5 | Very high | 85.5 | Confident | 111 Ų | 111 | 77.9 Ų | 77.9 | 58% | 0.581 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.5 | -44.4 | 178.2 | -70.4 | 170.2 | 0 | 0 | 0 | 111.2 | Q271 Q272 R277 L278 S279 | Q271-L275 WeakPolarHBondContact O-CG 2.96Å; Q271-L275 PolarHBondContact O-N 3.5Å; Q272-L275 PolarHBondContact O-N 3.49Å; Q272-L275 VanDerWaalsContact O-N 3.09Å; L275-R277 VanDerWaalsContact C-N 3.29Å; L275-R277 PolarHBondContact O-N 2.75Å; L275-L278 WeakPolarHBondContact O-CB 3.49Å; L275-L278 PolarHBondContact O-N 3.33Å; L275-L278 VanDerWaalsContact O-N 3.08Å; L275-S279 PolarHBondContact O-N 3.08Å; L275-S279 PolarHBondContact O-OG 3.03Å |
| 276 | D | 90.4 | Very high | 82.9 | Confident | 71 Ų | 71 | 82.3 Ų | 82.3 | 38% | 0.38 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 178.8 | -65.2 | -17.5 | 0 | 0 | 0 | 111.4 | Q272 L278 S279 D280 | Q272-D276 VanDerWaalsContact O-CG 3.26Å; Q272-D276 PolarHBondContact O-N 3.22Å; D276-L278 PolarHBondContact O-N 3.35Å; D276-S279 WeakPolarHBondContact CA-OG 3.36Å; D276-S279 PolarHBondContact O-N 3.09Å; D276-S279 PolarHBondContact O-OG 3.28Å; D276-D280 PolarHBondContact O-N 3.43Å |
| 277 | R | 87.9 | Confident | 80.4 | Confident | 83 Ų | 83 | 87.2 Ų | 87.2 | 31% | 0.313 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 175.9 | -72 | 172.2 | -176.9 | -175.3 | 1.3 | 113.6 | E236 E239 L273 K274 L275 S281 | E236-R277 IonicContact OE1-NH1 3.36Å; E236-R277 PolarHBondContact OE1-NH1 2.71Å; E239-R277 IonicContact OE1-NH2 2.86Å; E239-R277 PolarHBondContact OE1-NH2 2.93Å; E239-R277 IonicContact OE2-CZ 3.81Å; E239-R277 IonicContact OE2-NH2 2.6Å; E239-R277 PolarHBondContact OE2-NH2 3.38Å; L273-R277 VanDerWaalsContact O-CG 3.28Å; L273-R277 WeakPolarHBondContact O-CG 3.46Å; L273-R277 PolarHBondContact O-N 3.27Å; K274-R277 PolarHBondContact O-N 2.93Å; L275-R277 VanDerWaalsContact C-N 3.29Å; L275-R277 PolarHBondContact O-N 2.75Å; R277-S281 WeakPolarHBondContact O-CB 3.39Å; R277-S281 PolarHBondContact O-N 3.08Å; R277-S281 VanDerWaalsContact O-N 3.08Å; R277-S281 PolarHBondContact O-OG 2.74Å |
| 278 | L | 84.8 | Confident | 77.9 | Confident | 110 Ų | 110 | 89.3 Ų | 89.3 | 58% | 0.576 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.1 | -40.9 | 175.8 | -71 | 170.8 | 0 | 0 | 0 | 110.6 | K274 L275 D276 S281 L282 | K274-L278 WeakPolarHBondContact O-CG 3.45Å; K274-L278 PolarHBondContact O-N 3.31Å; K274-L278 VanDerWaalsContact O-N 3.15Å; L275-L278 WeakPolarHBondContact O-CB 3.49Å; L275-L278 PolarHBondContact O-N 3.33Å; L275-L278 VanDerWaalsContact O-N 3.08Å; D276-L278 PolarHBondContact O-N 3.35Å; L278-S281 PolarHBondContact O-N 2.96Å; L278-L282 PolarHBondContact O-N 2.96Å |
| 279 | S | 81.3 | Confident | 75.7 | Confident | 65 Ų | 65 | 90 Ų | 90 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 174.2 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | L275 D276 S281 L282 G283 | L275-S279 PolarHBondContact O-N 3.08Å; L275-S279 PolarHBondContact O-OG 3.03Å; D276-S279 WeakPolarHBondContact CA-OG 3.36Å; D276-S279 PolarHBondContact O-N 3.09Å; D276-S279 PolarHBondContact O-OG 3.28Å; S279-S281 VanDerWaalsContact C-N 3.27Å; S279-S281 PolarHBondContact O-N 3.25Å; S279-L282 PolarHBondContact O-N 3.37Å; S279-G283 PolarHBondContact O-N 3.3Å |
| 280 | D | 78.4 | Confident | 73.3 | Confident | 105 Ų | 105 | 98 Ų | 98 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -34.2 | 175.8 | -75.2 | -13.2 | 0 | 0 | 0 | 112.2 | D276 K284 | D276-D280 PolarHBondContact O-N 3.43Å; D280-K284 WeakPolarHBondContact O-CG 3.39Å; D280-K284 PolarHBondContact O-N 3.38Å |
| 281 | S | 76.1 | Confident | 70.8 | Confident | 73 Ų | 73 | 102.6 Ų | 102.6 | 51% | 0.51 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.3 | -38.7 | 177.7 | -58 | 0 | 0 | 0 | 0 | 111.9 | R277 L278 S279 | R277-S281 WeakPolarHBondContact O-CB 3.39Å; R277-S281 PolarHBondContact O-N 3.08Å; R277-S281 VanDerWaalsContact O-N 3.08Å; R277-S281 PolarHBondContact O-OG 2.74Å; L278-S281 PolarHBondContact O-N 2.96Å; S279-S281 VanDerWaalsContact C-N 3.27Å; S279-S281 PolarHBondContact O-N 3.25Å |
| 282 | L | 68.9 | Low | 68 | Low | 126 Ų | 126 | 105.7 Ų | 105.7 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.1 | -38.6 | 174.6 | -74 | 161.5 | 0 | 0 | 0 | 111.8 | L278 S279 K284 M285 | L278-L282 PolarHBondContact O-N 2.96Å; S279-L282 PolarHBondContact O-N 3.37Å; L282-K284 VanDerWaalsContact C-N 3.28Å; L282-K284 PolarHBondContact O-N 3.13Å; L282-M285 PolarHBondContact O-N 2.86Å; L282-M285 VanDerWaalsContact O-N 3.13Å |
| 283 | G | 59.2 | Low | 65.7 | Low | 53 Ų | 53 | 111.9 Ų | 111.9 | 55% | 0.546 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.8 | -32.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S279 M285 | S279-G283 PolarHBondContact O-N 3.3Å; G283-M285 VanDerWaalsContact C-N 3.29Å; G283-M285 PolarHBondContact O-N 3.43Å |
| 284 | K | 58.4 | Low | 64.2 | Low | 183 Ų | 183 | 116.2 Ų | 116.2 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -11.6 | 176 | -72.8 | 179.1 | -175.7 | 178.6 | 0 | 114.3 | D280 L282 | D280-K284 WeakPolarHBondContact O-CG 3.39Å; D280-K284 PolarHBondContact O-N 3.38Å; L282-K284 VanDerWaalsContact C-N 3.28Å; L282-K284 PolarHBondContact O-N 3.13Å |
| 285 | M | 52 | Low | 62.7 | Low | 153 Ų | 153 | 118.4 Ų | 118.4 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -2 | 178.6 | -76.7 | -165.5 | 178.7 | 0 | 0 | 114.6 | L282 G283 P287 | L282-M285 PolarHBondContact O-N 2.86Å; L282-M285 VanDerWaalsContact O-N 3.13Å; G283-M285 VanDerWaalsContact C-N 3.29Å; G283-M285 PolarHBondContact O-N 3.43Å; M285-P287 WeakPolarHBondContact O-CD 3.01Å |
| 286 | N | 44.1 | Very low | 61.1 | Low | 139 Ų | 139 | 118.8 Ų | 118.8 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | trans | -99.9 | 90.8 | 172.8 | -77.4 | -25.1 | 0 | 0 | 0 | 110.6 | ||||
| 287 | P | 45 | Very low | 59.4 | Low | 103 Ų | 103 | 121.6 Ų | 121.6 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | -66.2 | 145.9 | 162.5 | 29.5 | -31 | 0 | 0 | 0 | 108.6 | M285 S289 | M285-P287 WeakPolarHBondContact O-CD 3.01Å; P287-S289 PolarHBondContact O-N 2.92Å | ||
| 288 | P | 47.2 | Very low | 57.7 | Low | 106 Ų | 106 | 124 Ų | 124 | 69% | 0.688 | 72% | 0.716 | S | S | * | * | trans | -59.8 | 117.6 | 177 | 25.7 | -32.5 | 0 | 0 | 0 | 108.4 | H290 | P288-H290 PolarHBondContact O-N 3.04Š| ||
| 289 | S | 50.2 | Low | 55.8 | Low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -56.1 | 106.1 | 165.3 | 49.1 | 0 | 0 | 0 | 0 | 107.2 | P287 S291 | P287-S289 PolarHBondContact O-N 2.92Å; S289-S291 PolarHBondContact O-N 2.98Å | ||
| 290 | H | 47.5 | Very low | 54 | Low | 174 Ų | 174 | 129.2 Ų | 129.2 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -53.3 | 110 | 169.7 | -78.6 | -79.3 | 0 | 0 | 0 | 107.8 | P288 L292 | P288-H290 PolarHBondContact O-N 3.04Å; H290-L292 PolarHBondContact O-N 2.96Å | ||
| 291 | S | 45.2 | Very low | 52.2 | Low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -62.1 | 99.7 | 168.6 | 46.8 | 0 | 0 | 0 | 0 | 108 | S289 T293 | S289-S291 PolarHBondContact O-N 2.98Å; S291-T293 PolarHBondContact O-N 3.42Å | ||
| 292 | L | 39 | Very low | 50.2 | Low | 165 Ų | 165 | 135.9 Ų | 135.9 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -77.7 | 97.5 | 161.5 | -79.9 | 157.9 | 0 | 0 | 0 | 107.7 | H290 | H290-L292 PolarHBondContact O-N 2.96Š| ||
| 293 | T | 45.2 | Very low | 48.5 | Very low | 207 Ų | 207 | 136.8 Ų | 136.8 | 100% | 1.27 | 79% | 0.79 | S | S | * | * | trans | -165.5 | 0 | 149.8 | 43.4 | 0 | 0 | 0 | 0 | 108.9 | S291 | S291-T293 PolarHBondContact O-N 3.42Š|
Retrieved 293 of 293 residues in 78.5 ms
(Link to these results)