| 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 | 36.9 | Very low | 49.6 | Very low | 249 Ų | 249 | 129.8 Ų | 129.8 | 100% | 1.227 | 71% | 0.707 | S | S | * | * | 0 | 101.8 | 0 | -77.5 | 167.8 | 171.7 | 0 | 0 | 107.7 | |||||
| 2 | A | 34 | Very low | 50.7 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 83% | 0.826 | 68% | 0.678 | S | S | * | * | trans | -80.2 | 140.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | P | 43.2 | Very low | 52 | Low | 125 Ų | 125 | 118.7 Ų | 118.7 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | trans | -71.1 | 134.2 | -172.7 | 29 | -32.5 | 0 | 0 | 0 | 110.5 | G5 | P3-G5 VanDerWaalsContact C-N 3.27Å; P3-G5 PolarHBondContact O-N 3.04Å | ||
| 4 | S | 50.5 | Low | 53.4 | Low | 106 Ų | 106 | 117 Ų | 117 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | trans | -66.7 | 81 | 173 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | G | 43.9 | Very low | 54.9 | Low | 33 Ų | 33 | 121.5 Ų | 121.5 | 34% | 0.34 | 65% | 0.654 | S | S | . | * | trans | -70.7 | 174.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | P3 R7 S8 | P3-G5 VanDerWaalsContact C-N 3.27Å; P3-G5 PolarHBondContact O-N 3.04Å; G5-R7 PolarHBondContact O-N 3.41Å; G5-S8 VanDerWaalsContact O-CB 3.26Å; G5-S8 WeakPolarHBondContact O-CB 3.36Å; G5-S8 PolarHBondContact O-N 2.85Å | ||
| 6 | P | 49.9 | Very low | 56.5 | Low | 104 Ų | 104 | 120.3 Ų | 120.3 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -58.3 | -17.9 | -178.7 | 18.5 | -30.1 | 0 | 0 | 0 | 114.9 | S8 K10 | P6-S8 VanDerWaalsContact C-N 3.31Å; P6-K10 PolarHBondContact O-N 3.1Å |
| 7 | R | 51.5 | Low | 58.3 | Low | 207 Ų | 207 | 119.2 Ų | 119.2 | 78% | 0.781 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.1 | -28.9 | 170 | -70.7 | -179.6 | -179 | 169.2 | 0.3 | 112.8 | G5 R11 | G5-R7 PolarHBondContact O-N 3.41Å; R7-R11 WeakPolarHBondContact O-CB 3.27Å; R7-R11 WeakPolarHBondContact O-CG 3.34Å; R7-R11 PolarHBondContact O-N 3.41Å; R7-R11 VanDerWaalsContact O-N 3.07Å |
| 8 | S | 55.1 | Low | 59.9 | Low | 68 Ų | 68 | 118.2 Ų | 118.2 | 48% | 0.476 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.8 | -41 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | G5 P6 R11 G12 | G5-S8 VanDerWaalsContact O-CB 3.26Å; G5-S8 WeakPolarHBondContact O-CB 3.36Å; G5-S8 PolarHBondContact O-N 2.85Å; P6-S8 VanDerWaalsContact C-N 3.31Å; S8-R11 PolarHBondContact O-N 3.26Å; S8-G12 PolarHBondContact O-N 3.45Å |
| 9 | I | 58.4 | Low | 61.7 | Low | 122 Ų | 122 | 117.1 Ų | 117.1 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.7 | -44.9 | 176.2 | -59.6 | 173.2 | 0 | 0 | 0 | 110.7 | R11 G12 C13 | I9-R11 VanDerWaalsContact C-N 3.35Å; I9-R11 PolarHBondContact O-N 3.11Å; I9-G12 PolarHBondContact O-N 3.17Å; I9-G12 VanDerWaalsContact O-N 3.16Å; I9-C13 PolarHBondContact O-N 3.09Å |
| 10 | K | 61 | Low | 63.3 | Low | 149 Ų | 149 | 115.9 Ų | 115.9 | 65% | 0.648 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.1 | -41.6 | 174.5 | -73 | -174.6 | 178.6 | -174.1 | 0 | 112.4 | P6 Q14 | P6-K10 PolarHBondContact O-N 3.1Å; K10-Q14 WeakPolarHBondContact O-CB 3.38Å; K10-Q14 VanDerWaalsContact O-CG 3.23Å; K10-Q14 WeakPolarHBondContact O-CG 3.27Å; K10-Q14 PolarHBondContact O-N 3.06Å |
| 11 | R | 61 | Low | 64.8 | Low | 165 Ų | 165 | 111.9 Ų | 111.9 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.8 | -34.4 | 174.9 | -76.7 | 174.1 | 176.9 | -169.6 | -2.9 | 112.5 | R7 S8 I9 R15 | R7-R11 WeakPolarHBondContact O-CB 3.27Å; R7-R11 WeakPolarHBondContact O-CG 3.34Å; R7-R11 PolarHBondContact O-N 3.41Å; R7-R11 VanDerWaalsContact O-N 3.07Å; S8-R11 PolarHBondContact O-N 3.26Å; I9-R11 VanDerWaalsContact C-N 3.35Å; I9-R11 PolarHBondContact O-N 3.11Å; R11-R15 VanDerWaalsContact O-CG 3.32Å; R11-R15 WeakPolarHBondContact O-CG 3.43Å; R11-R15 PolarHBondContact O-N 2.74Å; R11-R15 VanDerWaalsContact O-N 3.13Å |
| 12 | G | 62.7 | Low | 67.5 | Low | 35 Ų | 35 | 100.6 Ų | 100.6 | 36% | 0.361 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -52.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S8 I9 Q14 R15 V16 | S8-G12 PolarHBondContact O-N 3.45Å; I9-G12 PolarHBondContact O-N 3.17Å; I9-G12 VanDerWaalsContact O-N 3.16Å; G12-Q14 PolarHBondContact O-N 2.77Å; G12-R15 PolarHBondContact O-N 3.49Å; G12-V16 PolarHBondContact O-N 2.79Å |
| 13 | C | 67.6 | Low | 70.5 | Confident | 80 Ų | 80 | 100.8 Ų | 100.8 | 54% | 0.541 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.3 | -77.9 | 0 | 0 | 0 | 0 | 112.4 | I9 R15 V16 L17 | I9-C13 PolarHBondContact O-N 3.09Å; C13-R15 VanDerWaalsContact C-N 3.31Å; C13-R15 PolarHBondContact O-N 3.21Å; C13-V16 PolarHBondContact O-N 3.06Å; C13-V16 VanDerWaalsContact O-N 3.17Å; C13-L17 WeakPolarHBondContact O-CG 3.44Å; C13-L17 PolarHBondContact O-N 3.49Å; C13-L17 VanDerWaalsContact O-N 3.08Å |
| 14 | Q | 72.4 | Confident | 73 | Confident | 95 Ų | 95 | 99.9 Ų | 99.9 | 44% | 0.444 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 176.9 | -77.8 | 173.4 | -22.9 | 0 | 0 | 112.6 | K10 G12 V16 L17 Y18 | K10-Q14 WeakPolarHBondContact O-CB 3.38Å; K10-Q14 VanDerWaalsContact O-CG 3.23Å; K10-Q14 WeakPolarHBondContact O-CG 3.27Å; K10-Q14 PolarHBondContact O-N 3.06Å; G12-Q14 PolarHBondContact O-N 2.77Å; Q14-V16 VanDerWaalsContact C-N 3.31Å; Q14-V16 PolarHBondContact O-N 3.47Å; Q14-L17 PolarHBondContact O-N 3.44Å; Q14-Y18 HydrophobicContact CB-CE2 4.31Å; Q14-Y18 WeakPolarHBondContact O-CD2 3.39Å; Q14-Y18 PolarHBondContact O-N 2.97Å |
| 15 | R | 75.4 | Confident | 75.1 | Confident | 184 Ų | 184 | 96.1 Ų | 96.1 | 69% | 0.694 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.1 | -37.6 | 176 | -79.3 | 176.5 | -179 | -178.9 | 0.6 | 112.7 | R11 G12 C13 | R11-R15 VanDerWaalsContact O-CG 3.32Å; R11-R15 WeakPolarHBondContact O-CG 3.43Å; R11-R15 PolarHBondContact O-N 2.74Å; R11-R15 VanDerWaalsContact O-N 3.13Å; G12-R15 PolarHBondContact O-N 3.49Å; C13-R15 VanDerWaalsContact C-N 3.31Å; C13-R15 PolarHBondContact O-N 3.21Å |
| 16 | V | 80.9 | Confident | 77.5 | Confident | 102 Ų | 102 | 96.7 Ų | 96.7 | 62% | 0.618 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69 | -42.3 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | G12 C13 Q14 Y18 W19 | G12-V16 PolarHBondContact O-N 2.79Å; C13-V16 PolarHBondContact O-N 3.06Å; C13-V16 VanDerWaalsContact O-N 3.17Å; Q14-V16 VanDerWaalsContact C-N 3.31Å; Q14-V16 PolarHBondContact O-N 3.47Å; V16-Y18 VanDerWaalsContact C-N 3.27Å; V16-Y18 PolarHBondContact O-N 3Å; V16-W19 PolarHBondContact O-N 3.49Å |
| 17 | L | 86.7 | Confident | 79.7 | Confident | 102 Ų | 102 | 97.7 Ų | 97.7 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -34.4 | 178.9 | -66.4 | 175.9 | 0 | 0 | 0 | 112.8 | C13 Q14 W19 I20 | C13-L17 WeakPolarHBondContact O-CG 3.44Å; C13-L17 PolarHBondContact O-N 3.49Å; C13-L17 VanDerWaalsContact O-N 3.08Å; Q14-L17 PolarHBondContact O-N 3.44Å; L17-W19 PolarHBondContact O-N 2.97Å; L17-I20 HydrophobicContact CB-CD1 4.37Å; L17-I20 HydrophobicContact CD2-CD1 3.57Å; L17-I20 WeakPolarHBondContact O-CB 3.42Å; L17-I20 WeakPolarHBondContact O-CG1 3.41Å; L17-I20 PolarHBondContact O-N 3.28Å; L17-I20 VanDerWaalsContact O-N 3.14Å |
| 18 | Y | 87.7 | Confident | 81.8 | Confident | 101 Ų | 101 | 90 Ų | 90 | 40% | 0.396 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.5 | 177.2 | -63.4 | -47 | 0 | 0 | 0 | 114.3 | Q14 V16 P21 V144 N160 | Q14-Y18 HydrophobicContact CB-CE2 4.31Å; Q14-Y18 WeakPolarHBondContact O-CD2 3.39Å; Q14-Y18 PolarHBondContact O-N 2.97Å; V16-Y18 VanDerWaalsContact C-N 3.27Å; V16-Y18 PolarHBondContact O-N 3Å; Y18-P21 WeakPolarHBondContact O-CD 3.35Å; Y18-V144 HydrophobicContact CE1-CG1 4.4Å; Y18-V144 HydrophobicContact CE2-CG1 4.39Å; Y18-N160 VanDerWaalsContact CB-OD1 3.31Å; Y18-N160 WeakPolarHBondContact CB-OD1 3.45Å |
| 19 | W | 92.5 | Very high | 83.7 | Confident | 97 Ų | 97 | 87.7 Ų | 87.7 | 37% | 0.367 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -12.5 | 173.6 | -75.2 | 100.4 | 0 | 0 | 0 | 113.6 | V16 L17 V22 L23 I73 F74 N160 | V16-W19 PolarHBondContact O-N 3.49Å; L17-W19 PolarHBondContact O-N 2.97Å; W19-V22 HydrophobicContact CE3-CB 3.96Å; W19-V22 HydrophobicContact CE3-CG1 3.96Å; W19-V22 HydrophobicContact CE3-CG2 4.16Å; W19-V22 HydrophobicContact CZ3-CB 4.41Å; W19-V22 HydrophobicContact CZ3-CG1 4.01Å; W19-V22 HydrophobicContact CZ3-CG2 4.43Å; W19-V22 PolarHBondContact O-N 3.45Å; W19-V22 VanDerWaalsContact O-N 3.11Å; W19-L23 WeakPolarHBondContact O-CG 3.25Å; W19-L23 PolarHBondContact O-N 2.99Å; W19-I73 HydrophobicContact CH2-CG2 3.91Å; W19-I73 HydrophobicContact CZ3-CG2 3.96Å; W19-F74 AromaticContact CH2-CE1 3.91Å; W19-F74 HydrophobicContact CH2-CE1 3.91Å; W19-F74 HydrophobicContact CH2-CZ 4.2Å; W19-F74 HydrophobicContact CZ3-CZ 4.49Å; W19-N160 VanDerWaalsContact CD2-ND2 3.28Å; W19-N160 PolarHBondContact NE1-ND2 2.89Å |
| 20 | I | 94.1 | Very high | 85.5 | Confident | 94 Ų | 94 | 84.7 Ų | 84.7 | 48% | 0.482 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -54.5 | -48.1 | -178.7 | -67 | 172.4 | 0 | 0 | 0 | 112.2 | L17 V22 L23 F24 | L17-I20 HydrophobicContact CB-CD1 4.37Å; L17-I20 HydrophobicContact CD2-CD1 3.57Å; L17-I20 WeakPolarHBondContact O-CB 3.42Å; L17-I20 WeakPolarHBondContact O-CG1 3.41Å; L17-I20 PolarHBondContact O-N 3.28Å; L17-I20 VanDerWaalsContact O-N 3.14Å; I20-V22 VanDerWaalsContact C-N 3.3Å; I20-V22 PolarHBondContact O-N 3.04Å; I20-L23 PolarHBondContact O-N 3.41Å; I20-F24 WeakPolarHBondContact O-CB 3.5Å; I20-F24 PolarHBondContact O-N 2.74Å |
| 21 | P | 94.9 | Very high | 87.2 | Confident | 31 Ų | 31 | 80.3 Ų | 80.3 | 20% | 0.201 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 179.2 | -22.4 | 34.4 | 0 | 0 | 0 | 113 | Y18 F24 I25 P157 W158 | Y18-P21 WeakPolarHBondContact O-CD 3.35Å; P21-F24 PolarHBondContact O-N 2.98Å; P21-I25 WeakPolarHBondContact O-CG1 3.43Å; P21-I25 PolarHBondContact O-N 3.38Å; P21-P157 WeakPolarHBondContact CB-O 3.03Å; P21-P157 HydrophobicContact CG-CB 4.28Å; P21-W158 HydrophobicContact CB-CE3 4.02Å; P21-W158 HydrophobicContact CB-CZ3 4.44Å |
| 22 | V | 95.1 | Very high | 88.8 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.9 | -45 | 178.3 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | W19 I20 F24 I25 A26 I73 N160 | W19-V22 HydrophobicContact CE3-CB 3.96Å; W19-V22 HydrophobicContact CE3-CG1 3.96Å; W19-V22 HydrophobicContact CE3-CG2 4.16Å; W19-V22 HydrophobicContact CZ3-CB 4.41Å; W19-V22 HydrophobicContact CZ3-CG1 4.01Å; W19-V22 HydrophobicContact CZ3-CG2 4.43Å; W19-V22 PolarHBondContact O-N 3.45Å; W19-V22 VanDerWaalsContact O-N 3.11Å; I20-V22 VanDerWaalsContact C-N 3.3Å; I20-V22 PolarHBondContact O-N 3.04Å; V22-F24 VanDerWaalsContact C-N 3.31Å; V22-F24 PolarHBondContact O-N 3.29Å; V22-I25 PolarHBondContact O-N 3.31Å; V22-A26 WeakPolarHBondContact O-CB 3.34Å; V22-A26 PolarHBondContact O-N 3.19Å; V22-I73 HydrophobicContact CG1-CD1 3.86Å; V22-N160 HydrophobicContact CG2-CB 3.68Å |
| 23 | L | 95.4 | Very high | 90.4 | Very high | 105 Ų | 105 | 74.8 Ų | 74.8 | 55% | 0.55 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 176.4 | -68.1 | 175 | 0 | 0 | 0 | 111.5 | W19 I20 A26 L27 | W19-L23 WeakPolarHBondContact O-CG 3.25Å; W19-L23 PolarHBondContact O-N 2.99Å; I20-L23 PolarHBondContact O-N 3.41Å; L23-A26 PolarHBondContact O-N 2.88Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.04Å; L23-L27 PolarHBondContact O-N 3.49Å |
| 24 | F | 95.4 | Very high | 91.7 | Very high | 105 Ų | 105 | 75.5 Ų | 75.5 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.3 | -47.7 | 175.6 | 176.1 | -102.4 | 0 | 0 | 0 | 112.1 | I20 P21 V22 A26 L27 I28 W158 | I20-F24 WeakPolarHBondContact O-CB 3.5Å; I20-F24 PolarHBondContact O-N 2.74Å; P21-F24 PolarHBondContact O-N 2.98Å; V22-F24 VanDerWaalsContact C-N 3.31Å; V22-F24 PolarHBondContact O-N 3.29Å; F24-A26 PolarHBondContact O-N 2.98Å; F24-L27 PolarHBondContact O-N 3.49Å; F24-I28 HydrophobicContact CD1-CD1 3.92Å; F24-I28 HydrophobicContact CD2-CD1 4.48Å; F24-I28 HydrophobicContact CE1-CD1 3.33Å; F24-I28 HydrophobicContact CE2-CD1 3.97Å; F24-I28 HydrophobicContact CG-CD1 4.48Å; F24-I28 HydrophobicContact CZ-CD1 3.38Å; F24-I28 HydrophobicContact CZ-CG1 4.4Å; F24-I28 WeakPolarHBondContact O-CG1 3.03Å; F24-I28 PolarHBondContact O-N 3.4Å; F24-W158 HydrophobicContact CD1-CZ3 4.11Å; F24-W158 HydrophobicContact CE1-CZ3 4.43Å |
| 25 | I | 94.6 | Very high | 92.7 | Very high | 27 Ų | 27 | 71 Ų | 71 | 14% | 0.138 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.2 | -65.2 | -62.5 | 0 | 0 | 0 | 110.9 | P21 V22 L27 I28 V29 Y69 W158 | P21-I25 WeakPolarHBondContact O-CG1 3.43Å; P21-I25 PolarHBondContact O-N 3.38Å; V22-I25 PolarHBondContact O-N 3.31Å; I25-L27 VanDerWaalsContact C-N 3.31Å; I25-L27 PolarHBondContact O-N 3.49Å; I25-I28 PolarHBondContact O-N 3.38Å; I25-V29 HydrophobicContact CG2-CG2 4.13Å; I25-V29 WeakPolarHBondContact O-CB 3.47Å; I25-V29 VanDerWaalsContact O-CG2 3.23Å; I25-V29 WeakPolarHBondContact O-CG2 3.48Å; I25-V29 PolarHBondContact O-N 3Å; I25-Y69 HydrophobicContact CG2-CE1 4.05Å; I25-W158 HydrophobicContact CD1-CE3 3.88Å; I25-W158 HydrophobicContact CD1-CZ3 4.03Å; I25-W158 HydrophobicContact CG1-CE3 3.77Å; I25-W158 HydrophobicContact CG1-CZ3 4.25Å |
| 26 | A | 95.3 | Very high | 93.6 | Very high | 46 Ų | 46 | 62.2 Ų | 62.2 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V22 L23 F24 V29 A30 | V22-A26 WeakPolarHBondContact O-CB 3.34Å; V22-A26 PolarHBondContact O-N 3.19Å; L23-A26 PolarHBondContact O-N 2.88Å; F24-A26 PolarHBondContact O-N 2.98Å; A26-V29 PolarHBondContact O-N 3.35Å; A26-A30 VanDerWaalsContact O-CB 3.31Å; A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 2.8Å |
| 27 | L | 96.1 | Very high | 94.3 | Very high | 125 Ų | 125 | 57.9 Ų | 57.9 | 65% | 0.654 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.8 | -44.7 | 176 | -72.2 | 170.6 | 0 | 0 | 0 | 112.1 | L23 F24 I25 V29 A30 W31 | L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.04Å; L23-L27 PolarHBondContact O-N 3.49Å; F24-L27 PolarHBondContact O-N 3.49Å; I25-L27 VanDerWaalsContact C-N 3.31Å; I25-L27 PolarHBondContact O-N 3.49Å; L27-V29 VanDerWaalsContact C-N 3.34Å; L27-V29 PolarHBondContact O-N 2.84Å; L27-A30 PolarHBondContact O-N 2.86Å; L27-W31 WeakPolarHBondContact O-CB 3.45Å; L27-W31 PolarHBondContact O-N 2.88Å |
| 28 | I | 94.9 | Very high | 94.5 | Very high | 44 Ų | 44 | 56.4 Ų | 56.4 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 176.1 | -71.7 | 175.2 | 0 | 0 | 0 | 110.6 | F24 I25 W31 S32 F220 | F24-I28 HydrophobicContact CD1-CD1 3.92Å; F24-I28 HydrophobicContact CD2-CD1 4.48Å; F24-I28 HydrophobicContact CE1-CD1 3.33Å; F24-I28 HydrophobicContact CE2-CD1 3.97Å; F24-I28 HydrophobicContact CG-CD1 4.48Å; F24-I28 HydrophobicContact CZ-CD1 3.38Å; F24-I28 HydrophobicContact CZ-CG1 4.4Å; F24-I28 WeakPolarHBondContact O-CG1 3.03Å; F24-I28 PolarHBondContact O-N 3.4Å; I25-I28 PolarHBondContact O-N 3.38Å; I28-W31 PolarHBondContact O-N 3.47Å; I28-S32 WeakPolarHBondContact O-CB 3.42Å; I28-S32 PolarHBondContact O-N 2.81Å; I28-S32 PolarHBondContact O-OG 3.4Å; I28-F220 HydrophobicContact CD1-CZ 4.37Å |
| 29 | V | 95.6 | Very high | 94.6 | Very high | 20 Ų | 20 | 52 Ų | 52 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 179 | 169.6 | 0 | 0 | 0 | 0 | 110.4 | I25 A26 L27 W31 S32 Y33 F62 F65 | I25-V29 HydrophobicContact CG2-CG2 4.13Å; I25-V29 WeakPolarHBondContact O-CB 3.47Å; I25-V29 VanDerWaalsContact O-CG2 3.23Å; I25-V29 WeakPolarHBondContact O-CG2 3.48Å; I25-V29 PolarHBondContact O-N 3Å; A26-V29 PolarHBondContact O-N 3.35Å; L27-V29 VanDerWaalsContact C-N 3.34Å; L27-V29 PolarHBondContact O-N 2.84Å; V29-W31 PolarHBondContact O-N 3.38Å; V29-S32 WeakPolarHBondContact CA-OG 3.38Å; V29-S32 PolarHBondContact O-N 3.49Å; V29-S32 PolarHBondContact O-OG 2.89Å; V29-Y33 PolarHBondContact O-N 3.26Å; V29-F62 HydrophobicContact CG1-CE2 3.56Å; V29-F62 HydrophobicContact CG1-CZ 4.1Å; V29-F65 HydrophobicContact CB-CE1 4.41Å; V29-F65 HydrophobicContact CG1-CE1 3.79Å; V29-F65 HydrophobicContact CG2-CE1 3.64Å; V29-F65 HydrophobicContact CG2-CZ 3.71Å |
| 30 | A | 96.2 | Very high | 94.4 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 50% | 0.496 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A26 L27 Y33 Y34 | A26-A30 VanDerWaalsContact O-CB 3.31Å; A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 2.8Å; L27-A30 PolarHBondContact O-N 2.86Å; A30-Y33 WeakPolarHBondContact O-CB 3.38Å; A30-Y33 PolarHBondContact O-N 2.89Å; A30-Y34 PolarHBondContact O-N 3.48Å; A30-Y34 VanDerWaalsContact O-N 3.1Å |
| 31 | W | 96.1 | Very high | 94.2 | Very high | 57 Ų | 57 | 42.9 Ų | 42.9 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 174.3 | 167.6 | 74.5 | 0 | 0 | 0 | 111.9 | L27 I28 V29 Y33 Y34 A35 H209 F212 L213 | L27-W31 WeakPolarHBondContact O-CB 3.45Å; L27-W31 PolarHBondContact O-N 2.88Å; I28-W31 PolarHBondContact O-N 3.47Å; V29-W31 PolarHBondContact O-N 3.38Å; W31-Y33 VanDerWaalsContact C-N 3.27Å; W31-Y33 PolarHBondContact O-N 3.26Å; W31-Y34 WeakPolarHBondContact O-CB 3.31Å; W31-Y34 PolarHBondContact O-N 3.35Å; W31-A35 HydrophobicContact CH2-CB 4.46Å; W31-A35 HydrophobicContact CZ2-CB 3.91Å; W31-A35 WeakPolarHBondContact O-CB 3.21Å; W31-A35 PolarHBondContact O-N 2.83Å; W31-H209 AromaticContact NE1-CE1 3.79Å; W31-H209 AromaticContact NE1-ND1 3.37Å; W31-H209 PolarHBondContact NE1-ND1 2.99Å; W31-F212 HydrophobicContact CE3-CD1 4.5Å; W31-F212 HydrophobicContact CE3-CE1 4.36Å; W31-F212 HydrophobicContact CH2-CB 4.3Å; W31-F212 AromaticContact CH2-CD1 3.19Å; W31-F212 HydrophobicContact CH2-CD1 3.19Å; W31-F212 AromaticContact CH2-CE1 3.78Å; W31-F212 HydrophobicContact CH2-CE1 3.78Å; W31-F212 HydrophobicContact CH2-CG 4.12Å; W31-F212 HydrophobicContact CZ2-CB 4.39Å; W31-F212 AromaticContact CZ2-CD1 3.41Å; W31-F212 HydrophobicContact CZ2-CD1 3.41Å; W31-F212 VanDerWaalsContact CZ2-CD1 3.41Å; W31-F212 HydrophobicContact CZ2-CE1 4.16Å; W31-F212 HydrophobicContact CZ2-CG 4.37Å; W31-F212 AromaticContact CZ3-CD1 3.78Å; W31-F212 HydrophobicContact CZ3-CD1 3.78Å; W31-F212 AromaticContact CZ3-CE1 3.87Å; W31-F212 HydrophobicContact CZ3-CE1 3.87Å; W31-L213 HydrophobicContact CH2-CB 4.01Å; W31-L213 HydrophobicContact CH2-CD1 3.98Å; W31-L213 HydrophobicContact CZ3-CD1 4.05Å |
| 32 | S | 95.8 | Very high | 93.8 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -33.2 | 178.4 | 71.1 | 0 | 0 | 0 | 0 | 112.2 | I28 V29 A35 Y36 Y181 | I28-S32 WeakPolarHBondContact O-CB 3.42Å; I28-S32 PolarHBondContact O-N 2.81Å; I28-S32 PolarHBondContact O-OG 3.4Å; V29-S32 WeakPolarHBondContact CA-OG 3.38Å; V29-S32 PolarHBondContact O-N 3.49Å; V29-S32 PolarHBondContact O-OG 2.89Å; S32-A35 PolarHBondContact O-N 2.79Å; S32-Y36 VanDerWaalsContact O-CB 3.24Å; S32-Y36 WeakPolarHBondContact O-CB 3.4Å; S32-Y36 PolarHBondContact O-N 3.17Å; S32-Y181 PolarHBondContact OG-OH 3Å |
| 33 | Y | 96.1 | Very high | 93.4 | Very high | 77 Ų | 77 | 50.6 Ų | 50.6 | 30% | 0.302 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 172.2 | -176.9 | -83.1 | 0 | 0 | 0 | 111.5 | V29 A30 W31 A35 Y36 V37 Y58 H59 F62 | V29-Y33 PolarHBondContact O-N 3.26Å; A30-Y33 WeakPolarHBondContact O-CB 3.38Å; A30-Y33 PolarHBondContact O-N 2.89Å; W31-Y33 VanDerWaalsContact C-N 3.27Å; W31-Y33 PolarHBondContact O-N 3.26Å; Y33-A35 PolarHBondContact O-N 3.3Å; Y33-Y36 PolarHBondContact O-N 3.08Å; Y33-V37 HydrophobicContact CD1-CG2 4.27Å; Y33-V37 HydrophobicContact CD2-CG2 4.12Å; Y33-V37 HydrophobicContact CE1-CB 4.28Å; Y33-V37 HydrophobicContact CE1-CG2 4.04Å; Y33-V37 HydrophobicContact CE2-CG2 3.86Å; Y33-V37 HydrophobicContact CG-CG2 4.29Å; Y33-V37 VanDerWaalsContact O-CB 3.28Å; Y33-V37 WeakPolarHBondContact O-CB 3.33Å; Y33-V37 WeakPolarHBondContact O-CG2 3.26Å; Y33-V37 PolarHBondContact O-N 2.96Å; Y33-Y58 VanDerWaalsContact CA-OH 3.28Å; Y33-Y58 WeakPolarHBondContact CA-OH 3.28Å; Y33-Y58 AromaticContact CD2-CE1 3.62Å; Y33-Y58 HydrophobicContact CD2-CE1 3.62Å; Y33-Y58 AromaticContact CE2-CE1 3.88Å; Y33-Y58 HydrophobicContact CE2-CE1 3.88Å; Y33-H59 AromaticContact CE2-NE2 3.55Å; Y33-H59 AromaticContact CZ-NE2 3.56Å; Y33-H59 PolarHBondContact OH-NE2 3.45Å; Y33-F62 HydrophobicContact CD2-CD1 4.23Å; Y33-F62 HydrophobicContact CD2-CD2 4.26Å; Y33-F62 AromaticContact CD2-CE1 3.96Å; Y33-F62 HydrophobicContact CD2-CE1 3.96Å; Y33-F62 AromaticContact CD2-CE2 3.98Å; Y33-F62 HydrophobicContact CD2-CE2 3.98Å; Y33-F62 HydrophobicContact CD2-CG 4.37Å; Y33-F62 AromaticContact CD2-CZ 3.83Å; Y33-F62 HydrophobicContact CD2-CZ 3.83Å; Y33-F62 HydrophobicContact CE2-CD1 4.35Å; Y33-F62 HydrophobicContact CE2-CE1 4.26Å; Y33-F62 HydrophobicContact CG-CZ 4.45Å |
| 34 | Y | 95 | Very high | 92.8 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 38% | 0.376 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.1 | -49.7 | 174 | 165.7 | -92 | 0 | 0 | 0 | 111.9 | A30 W31 L38 Q39 H209 | A30-Y34 PolarHBondContact O-N 3.48Å; A30-Y34 VanDerWaalsContact O-N 3.1Å; W31-Y34 WeakPolarHBondContact O-CB 3.31Å; W31-Y34 PolarHBondContact O-N 3.35Å; Y34-L38 HydrophobicContact CD2-CB 4.49Å; Y34-L38 HydrophobicContact CD2-CD1 3.57Å; Y34-L38 HydrophobicContact CD2-CG 4.3Å; Y34-L38 HydrophobicContact CE2-CB 4.5Å; Y34-L38 HydrophobicContact CE2-CD1 3.71Å; Y34-L38 WeakPolarHBondContact O-CB 3.44Å; Y34-L38 PolarHBondContact O-N 3.08Å; Y34-Q39 HydrophobicContact CD1-CG 4.49Å; Y34-Q39 HydrophobicContact CE1-CG 3.84Å; Y34-Q39 PolarHBondContact O-N 3.5Å; Y34-Q39 PolarHBondContact OH-NE2 3.36Å; Y34-H209 AromaticContact CE1-NE2 3.77Å |
| 35 | A | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -64.2 | -44.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W31 S32 Y33 Q39 L40 H209 L213 | W31-A35 HydrophobicContact CH2-CB 4.46Å; W31-A35 HydrophobicContact CZ2-CB 3.91Å; W31-A35 WeakPolarHBondContact O-CB 3.21Å; W31-A35 PolarHBondContact O-N 2.83Å; S32-A35 PolarHBondContact O-N 2.79Å; Y33-A35 PolarHBondContact O-N 3.3Å; A35-Q39 VanDerWaalsContact O-CB 3.31Å; A35-Q39 WeakPolarHBondContact O-CB 3.18Å; A35-Q39 PolarHBondContact O-N 3.02Å; A35-L40 PolarHBondContact O-N 3.11Å; A35-H209 HydrophobicContact CB-CB 4.17Å; A35-L213 HydrophobicContact CB-CD1 4.43Å; A35-L213 HydrophobicContact CB-CD2 4.14Å |
| 36 | Y | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -72.8 | -48.7 | -178.8 | -166.7 | -91.3 | 0 | 0 | 0 | 112.2 | S32 Y33 L40 C41 Y58 F184 I185 T188 L213 | S32-Y36 VanDerWaalsContact O-CB 3.24Å; S32-Y36 WeakPolarHBondContact O-CB 3.4Å; S32-Y36 PolarHBondContact O-N 3.17Å; Y33-Y36 PolarHBondContact O-N 3.08Å; Y36-L40 HydrophobicContact CD2-CD2 3.76Å; Y36-L40 HydrophobicContact CE2-CD2 3.57Å; Y36-L40 WeakPolarHBondContact O-CB 3.37Å; Y36-C41 WeakPolarHBondContact CE1-SG 3.36Å; Y36-C41 PolarHBondContact O-N 3Å; Y36-C41 PolarHBondContact O-SG 3.37Å; Y36-C41 VanDerWaalsContact O-SG 3.4Å; Y36-Y58 HydrophobicContact CD1-CD1 4.01Å; Y36-Y58 AromaticContact CD1-CD2 3.23Å; Y36-Y58 HydrophobicContact CD1-CD2 3.23Å; Y36-Y58 HydrophobicContact CD1-CE1 4.17Å; Y36-Y58 AromaticContact CD1-CE2 3.43Å; Y36-Y58 HydrophobicContact CD1-CE2 3.43Å; Y36-Y58 VanDerWaalsContact CD1-CE2 3.43Å; Y36-Y58 AromaticContact CD1-CG 3.55Å; Y36-Y58 HydrophobicContact CD1-CG 3.55Å; Y36-Y58 AromaticContact CD1-CZ 3.92Å; Y36-Y58 HydrophobicContact CD2-CD2 4.45Å; Y36-Y58 HydrophobicContact CD2-CE2 4.34Å; Y36-Y58 HydrophobicContact CE1-CD1 4.38Å; Y36-Y58 AromaticContact CE1-CD2 3.33Å; Y36-Y58 HydrophobicContact CE1-CD2 3.33Å; Y36-Y58 HydrophobicContact CE1-CE2 4.01Å; Y36-Y58 AromaticContact CE1-CG 3.55Å; Y36-Y58 HydrophobicContact CE1-CG 3.55Å; Y36-Y58 AromaticContact CG-CD2 3.84Å; Y36-Y58 HydrophobicContact CG-CD2 3.84Å; Y36-Y58 AromaticContact CG-CE2 3.62Å; Y36-Y58 HydrophobicContact CG-CE2 3.62Å; Y36-F184 HydrophobicContact CE1-CE1 4.21Å; Y36-F184 AromaticContact CZ-CE1 3.8Å; Y36-F184 WeakPolarHBondContact OH-CE1 3.38Å; Y36-I185 HydrophobicContact CD2-CB 4.44Å; Y36-I185 HydrophobicContact CD2-CG1 3.89Å; Y36-I185 HydrophobicContact CD2-CG2 4.22Å; Y36-I185 HydrophobicContact CE2-CB 4.47Å; Y36-I185 HydrophobicContact CE2-CG1 4.1Å; Y36-T188 VanDerWaalsContact CE2-OG1 3.25Å; Y36-T188 WeakPolarHBondContact CE2-OG1 3.21Å; Y36-T188 WeakPolarHBondContact OH-CB 3.49Å; Y36-T188 PolarHBondContact OH-OG1 2.89Å; Y36-L213 HydrophobicContact CD2-CD2 4.01Å |
| 37 | V | 94.6 | Very high | 91.7 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -76.2 | -49.1 | -173 | 177 | 0 | 0 | 0 | 0 | 111.6 | Y33 C41 I42 L55 Y58 | Y33-V37 HydrophobicContact CD1-CG2 4.27Å; Y33-V37 HydrophobicContact CD2-CG2 4.12Å; Y33-V37 HydrophobicContact CE1-CB 4.28Å; Y33-V37 HydrophobicContact CE1-CG2 4.04Å; Y33-V37 HydrophobicContact CE2-CG2 3.86Å; Y33-V37 HydrophobicContact CG-CG2 4.29Å; Y33-V37 VanDerWaalsContact O-CB 3.28Å; Y33-V37 WeakPolarHBondContact O-CB 3.33Å; Y33-V37 WeakPolarHBondContact O-CG2 3.26Å; Y33-V37 PolarHBondContact O-N 2.96Å; V37-C41 WeakPolarHBondContact O-CB 3.46Å; V37-I42 WeakPolarHBondContact O-CG1 3.14Å; V37-I42 PolarHBondContact O-N 3.09Å; V37-I42 VanDerWaalsContact O-N 3.09Å; V37-L55 HydrophobicContact CB-CD2 4.42Å; V37-L55 HydrophobicContact CG1-CD2 3.88Å; V37-L55 HydrophobicContact CG2-CD2 4.25Å; V37-Y58 HydrophobicContact CG2-CD1 3.96Å; V37-Y58 HydrophobicContact CG2-CE1 3.62Å |
| 38 | L | 91.6 | Very high | 91.5 | Very high | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.366 | 25% | 0.25 | S | S | . | . | I | π-helix | trans | -84 | -56.3 | -175.2 | -56.4 | -172.5 | 0 | 0 | 0 | 111.3 | Y34 I42 E43 | Y34-L38 HydrophobicContact CD2-CB 4.49Å; Y34-L38 HydrophobicContact CD2-CD1 3.57Å; Y34-L38 HydrophobicContact CD2-CG 4.3Å; Y34-L38 HydrophobicContact CE2-CB 4.5Å; Y34-L38 HydrophobicContact CE2-CD1 3.71Å; Y34-L38 WeakPolarHBondContact O-CB 3.44Å; Y34-L38 PolarHBondContact O-N 3.08Å; L38-I42 HydrophobicContact CD2-CD1 3.64Å; L38-I42 WeakPolarHBondContact O-CB 3.37Å; L38-I42 PolarHBondContact O-N 2.9Å; L38-E43 PolarHBondContact O-N 3.08Å |
| 39 | Q | 90 | Very high | 91.4 | Very high | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -74.8 | -41.9 | -171.4 | -57.2 | -71.5 | -65.5 | 0 | 0 | 112.4 | Y34 A35 E43 S44 A206 H209 | Y34-Q39 HydrophobicContact CD1-CG 4.49Å; Y34-Q39 HydrophobicContact CE1-CG 3.84Å; Y34-Q39 PolarHBondContact O-N 3.5Å; Y34-Q39 PolarHBondContact OH-NE2 3.36Å; A35-Q39 VanDerWaalsContact O-CB 3.31Å; A35-Q39 WeakPolarHBondContact O-CB 3.18Å; A35-Q39 PolarHBondContact O-N 3.02Å; Q39-E43 PolarHBondContact NE2-OE1 3.21Å; Q39-E43 PolarHBondContact NE2-OE2 3.1Å; Q39-E43 WeakPolarHBondContact O-CB 3.04Å; Q39-E43 PolarHBondContact OE1-OE2 3.39Å; Q39-S44 PolarHBondContact O-N 3.39Å; Q39-S44 PolarHBondContact O-OG 3.48Å; Q39-A206 HydrophobicContact CB-CB 4.42Å; Q39-H209 HydrophobicContact CB-CB 4.35Å; Q39-H209 HydrophobicContact CG-CB 4.19Å |
| 40 | L | 87.8 | Confident | 91.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -82.6 | -68.6 | 177.2 | -171.2 | 70.8 | 0 | 0 | 0 | 110.9 | A35 Y36 I42 S44 I45 D189 Y192 I210 | A35-L40 PolarHBondContact O-N 3.11Å; Y36-L40 HydrophobicContact CD2-CD2 3.76Å; Y36-L40 HydrophobicContact CE2-CD2 3.57Å; Y36-L40 WeakPolarHBondContact O-CB 3.37Å; L40-I42 PolarHBondContact O-N 3.34Å; L40-S44 WeakPolarHBondContact O-CA 3.46Å; L40-S44 VanDerWaalsContact O-CB 3.26Å; L40-S44 WeakPolarHBondContact O-CB 3.22Å; L40-S44 PolarHBondContact O-N 2.91Å; L40-I45 WeakPolarHBondContact O-CG1 3.35Å; L40-I45 PolarHBondContact O-N 3.24Å; L40-D189 HydrophobicContact CD2-CB 4.41Å; L40-Y192 HydrophobicContact CD1-CD1 4.41Å; L40-Y192 HydrophobicContact CD1-CD2 3.6Å; L40-Y192 HydrophobicContact CD1-CE2 4.27Å; L40-Y192 HydrophobicContact CD1-CG 3.69Å; L40-Y192 HydrophobicContact CD2-CD2 4.4Å; L40-Y192 HydrophobicContact CG-CD2 4.28Å; L40-I210 HydrophobicContact CB-CG1 4.45Å; L40-I210 HydrophobicContact CD1-CD1 3.74Å; L40-I210 HydrophobicContact CD1-CG1 4.02Å |
| 41 | C | 89.4 | Confident | 90.9 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -66.1 | -42.4 | -170.2 | -66.7 | 0 | 0 | 0 | 0 | 114.6 | Y36 V37 I45 K51 L55 | Y36-C41 WeakPolarHBondContact CE1-SG 3.36Å; Y36-C41 PolarHBondContact O-N 3Å; Y36-C41 PolarHBondContact O-SG 3.37Å; Y36-C41 VanDerWaalsContact O-SG 3.4Å; V37-C41 WeakPolarHBondContact O-CB 3.46Å; C41-I45 HydrophobicContact CB-CD1 4.38Å; C41-K51 WeakPolarHBondContact O-CD 3.33Å; C41-K51 WeakPolarHBondContact O-CE 3.5Å; C41-K51 WeakPolarHBondContact O-CG 2.8Å; C41-K51 PolarHBondContact O-NZ 3.4Å; C41-L55 HydrophobicContact CB-CD2 3.75Å; C41-L55 HydrophobicContact CB-CG 4.04Å |
| 42 | I | 88.4 | Confident | 90.9 | Very high | 89 Ų | 89 | 50.8 Ų | 50.8 | 46% | 0.456 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -82.7 | -50.2 | -176.4 | -67.9 | 174.3 | 0 | 0 | 0 | 111.3 | V37 L38 L40 K51 | V37-I42 WeakPolarHBondContact O-CG1 3.14Å; V37-I42 PolarHBondContact O-N 3.09Å; V37-I42 VanDerWaalsContact O-N 3.09Å; L38-I42 HydrophobicContact CD2-CD1 3.64Å; L38-I42 WeakPolarHBondContact O-CB 3.37Å; L38-I42 PolarHBondContact O-N 2.9Å; L40-I42 PolarHBondContact O-N 3.34Å; I42-K51 PolarHBondContact O-NZ 2.95Å |
| 43 | E | 85.7 | Confident | 90.8 | Very high | 115 Ų | 115 | 54.9 Ų | 54.9 | 54% | 0.537 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -84.3 | -37.3 | -172.9 | -67.8 | 176.4 | -166 | 0 | 0 | 114.2 | L38 Q39 | L38-E43 PolarHBondContact O-N 3.08Å; Q39-E43 PolarHBondContact NE2-OE1 3.21Å; Q39-E43 PolarHBondContact NE2-OE2 3.1Å; Q39-E43 WeakPolarHBondContact O-CB 3.04Å; Q39-E43 PolarHBondContact OE1-OE2 3.39Å |
| 44 | S | 82.4 | Confident | 90.7 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -96.1 | -28.1 | -171.7 | -56.7 | 0 | 0 | 0 | 0 | 114.3 | Q39 L40 I210 | Q39-S44 PolarHBondContact O-N 3.39Å; Q39-S44 PolarHBondContact O-OG 3.48Å; L40-S44 WeakPolarHBondContact O-CA 3.46Å; L40-S44 VanDerWaalsContact O-CB 3.26Å; L40-S44 WeakPolarHBondContact O-CB 3.22Å; L40-S44 PolarHBondContact O-N 2.91Å; S44-I210 WeakPolarHBondContact OG-CD1 3.38Å |
| 45 | I | 85.9 | Confident | 90.8 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | trans | -87.1 | 115.9 | 179.4 | -49.4 | -171.4 | 0 | 0 | 0 | 110 | L40 C41 D47 E50 K51 Y54 Y192 | L40-I45 WeakPolarHBondContact O-CG1 3.35Å; L40-I45 PolarHBondContact O-N 3.24Å; C41-I45 HydrophobicContact CB-CD1 4.38Å; I45-D47 WeakPolarHBondContact CG2-O 3.24Å; I45-E50 HydrophobicContact CG2-CB 4.24Å; I45-E50 HydrophobicContact CG2-CG 4.29Å; I45-K51 HydrophobicContact CG2-CB 4.16Å; I45-K51 WeakPolarHBondContact O-CE 3.31Å; I45-K51 PolarHBondContact O-NZ 3.37Å; I45-Y54 HydrophobicContact CD1-CD2 3.68Å; I45-Y54 HydrophobicContact CD1-CE2 4.26Å; I45-Y192 HydrophobicContact CD1-CE2 4.1Å; I45-Y192 VanDerWaalsContact CD1-OH 3.24Å; I45-Y192 WeakPolarHBondContact CD1-OH 3.24Å; I45-Y192 HydrophobicContact CG1-CE1 3.97Å; I45-Y192 HydrophobicContact CG1-CE2 4.18Å; I45-Y192 WeakPolarHBondContact CG1-OH 3.37Å | ||
| 46 | E | 85.4 | Confident | 90.9 | Very high | 160 Ų | 160 | 56.5 Ų | 56.5 | 75% | 0.748 | 31% | 0.305 | S | S | * | . | trans | -83 | -38.2 | 177.3 | -66.8 | 167 | -134.7 | 0 | 0 | 111.7 | T48 K195 | E46-T48 PolarHBondContact O-N 2.85Å; E46-K195 IonicContact OE1-NZ 3.87Å | ||
| 47 | D | 91.2 | Very high | 91 | Very high | 93 Ų | 93 | 58.2 Ų | 58.2 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | trans | -71.8 | 126.9 | -179.2 | -176.1 | 60.8 | 0 | 0 | 0 | 112.1 | I45 G49 E50 K51 | I45-D47 WeakPolarHBondContact CG2-O 3.24Å; D47-G49 WeakPolarHBondContact OD2-CA 3.17Å; D47-G49 PolarHBondContact OD2-N 3.39Å; D47-G49 VanDerWaalsContact OD2-N 3.1Å; D47-E50 HydrophobicContact CB-CB 4.1Å; D47-E50 WeakPolarHBondContact OD2-CB 3.45Å; D47-E50 PolarHBondContact OD2-N 2.91Å; D47-K51 VanDerWaalsContact O-CB 3.27Å; D47-K51 WeakPolarHBondContact O-CB 3.22Å; D47-K51 PolarHBondContact O-N 3.34Å; D47-K51 VanDerWaalsContact O-N 3.17Å | ||
| 48 | T | 91.9 | Very high | 91.1 | Very high | 100 Ų | 100 | 57.7 Ų | 57.7 | 61% | 0.613 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -74.7 | -32.9 | -176.5 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | E46 V52 | E46-T48 PolarHBondContact O-N 2.85Å; T48-V52 WeakPolarHBondContact O-CG2 3.31Å; T48-V52 PolarHBondContact O-N 2.73Å; T48-V52 VanDerWaalsContact O-N 3.11Å |
| 49 | G | 92.2 | Very high | 91.4 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.4 | -52.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D47 K51 V52 V53 | D47-G49 WeakPolarHBondContact OD2-CA 3.17Å; D47-G49 PolarHBondContact OD2-N 3.39Å; D47-G49 VanDerWaalsContact OD2-N 3.1Å; G49-K51 VanDerWaalsContact C-N 3.31Å; G49-K51 PolarHBondContact O-N 2.86Å; G49-V52 PolarHBondContact O-N 3.32Å; G49-V53 WeakPolarHBondContact O-CG2 3.22Å; G49-V53 PolarHBondContact O-N 2.81Å |
| 50 | E | 90 | Very high | 91.8 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 24% | 0.243 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.8 | -46 | 175.3 | -173.9 | 177 | -159.5 | 0 | 0 | 111.1 | I45 D47 V52 V53 Y54 Q191 Y192 | I45-E50 HydrophobicContact CG2-CB 4.24Å; I45-E50 HydrophobicContact CG2-CG 4.29Å; D47-E50 HydrophobicContact CB-CB 4.1Å; D47-E50 WeakPolarHBondContact OD2-CB 3.45Å; D47-E50 PolarHBondContact OD2-N 2.91Å; E50-V52 PolarHBondContact O-N 2.71Å; E50-V53 PolarHBondContact O-N 2.88Å; E50-Y54 HydrophobicContact CG-CD2 3.92Å; E50-Y54 HydrophobicContact CG-CE1 4.21Å; E50-Y54 HydrophobicContact CG-CE2 3.55Å; E50-Y54 HydrophobicContact CG-CG 4.39Å; E50-Y54 WeakPolarHBondContact O-CB 3.37Å; E50-Y54 PolarHBondContact O-N 3.49Å; E50-Y54 VanDerWaalsContact OE1-CE2 3.22Å; E50-Y54 WeakPolarHBondContact OE1-CE2 3.35Å; E50-Y54 PolarHBondContact OE1-OH 2.87Å; E50-Y54 VanDerWaalsContact OE1-OH 3.09Å; E50-Q191 PolarHBondContact OE1-NE2 3.38Å; E50-Y192 PolarHBondContact OE1-OH 3.18Å; E50-Y192 PolarHBondContact OE2-OH 2.69Å; E50-Y192 VanDerWaalsContact OE2-OH 3.11Å |
| 51 | K | 92.7 | Very high | 92.3 | Very high | 48 Ų | 48 | 60.5 Ų | 60.5 | 21% | 0.209 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -56 | -48.6 | 177.4 | -175.2 | 175.7 | -49.9 | -159.5 | 0 | 112.5 | C41 I42 I45 D47 G49 L55 | C41-K51 WeakPolarHBondContact O-CD 3.33Å; C41-K51 WeakPolarHBondContact O-CE 3.5Å; C41-K51 WeakPolarHBondContact O-CG 2.8Å; C41-K51 PolarHBondContact O-NZ 3.4Å; I42-K51 PolarHBondContact O-NZ 2.95Å; I45-K51 HydrophobicContact CG2-CB 4.16Å; I45-K51 WeakPolarHBondContact O-CE 3.31Å; I45-K51 PolarHBondContact O-NZ 3.37Å; D47-K51 VanDerWaalsContact O-CB 3.27Å; D47-K51 WeakPolarHBondContact O-CB 3.22Å; D47-K51 PolarHBondContact O-N 3.34Å; D47-K51 VanDerWaalsContact O-N 3.17Å; G49-K51 VanDerWaalsContact C-N 3.31Å; G49-K51 PolarHBondContact O-N 2.86Å; K51-L55 HydrophobicContact CG-CD1 3.97Å; K51-L55 WeakPolarHBondContact O-CB 3.5Å; K51-L55 VanDerWaalsContact O-CG 3.25Å; K51-L55 WeakPolarHBondContact O-CG 3.28Å; K51-L55 PolarHBondContact O-N 3.48Å |
| 52 | V | 94.4 | Very high | 92.7 | Very high | 75 Ų | 75 | 62.3 Ų | 62.3 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | -180 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | T48 G49 E50 L55 L56 | T48-V52 WeakPolarHBondContact O-CG2 3.31Å; T48-V52 PolarHBondContact O-N 2.73Å; T48-V52 VanDerWaalsContact O-N 3.11Å; G49-V52 PolarHBondContact O-N 3.32Å; E50-V52 PolarHBondContact O-N 2.71Å; V52-L55 PolarHBondContact O-N 3.23Å; V52-L56 HydrophobicContact CG1-CD1 3.82Å; V52-L56 HydrophobicContact CG1-CG 4.32Å; V52-L56 WeakPolarHBondContact O-CB 3.42Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.48Å; V52-L56 PolarHBondContact O-N 3.48Å |
| 53 | V | 94.7 | Very high | 93.1 | Very high | 92 Ų | 92 | 63 Ų | 63 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.9 | -47.1 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | G49 E50 L56 A57 | G49-V53 WeakPolarHBondContact O-CG2 3.22Å; G49-V53 PolarHBondContact O-N 2.81Å; E50-V53 PolarHBondContact O-N 2.88Å; V53-L56 PolarHBondContact O-N 3.36Å; V53-A57 WeakPolarHBondContact O-CB 3.27Å; V53-A57 PolarHBondContact O-N 2.93Å |
| 54 | Y | 94.4 | Very high | 93.7 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 179.6 | -72.8 | -1.2 | 0 | 0 | 0 | 112.2 | I45 E50 L56 A57 Y58 T188 Q191 Y192 | I45-Y54 HydrophobicContact CD1-CD2 3.68Å; I45-Y54 HydrophobicContact CD1-CE2 4.26Å; E50-Y54 HydrophobicContact CG-CD2 3.92Å; E50-Y54 HydrophobicContact CG-CE1 4.21Å; E50-Y54 HydrophobicContact CG-CE2 3.55Å; E50-Y54 HydrophobicContact CG-CG 4.39Å; E50-Y54 WeakPolarHBondContact O-CB 3.37Å; E50-Y54 PolarHBondContact O-N 3.49Å; E50-Y54 VanDerWaalsContact OE1-CE2 3.22Å; E50-Y54 WeakPolarHBondContact OE1-CE2 3.35Å; E50-Y54 PolarHBondContact OE1-OH 2.87Å; E50-Y54 VanDerWaalsContact OE1-OH 3.09Å; Y54-L56 PolarHBondContact O-N 2.97Å; Y54-A57 PolarHBondContact O-N 3.49Å; Y54-Y58 WeakPolarHBondContact O-CB 3.24Å; Y54-Y58 PolarHBondContact O-N 2.87Å; Y54-T188 HydrophobicContact CD1-CG2 4.24Å; Y54-T188 HydrophobicContact CD2-CG2 4.26Å; Y54-T188 HydrophobicContact CE1-CG2 4.01Å; Y54-T188 HydrophobicContact CE2-CG2 4.04Å; Y54-T188 HydrophobicContact CG-CG2 4.36Å; Y54-Q191 PolarHBondContact OH-NE2 2.82Å; Y54-Y192 HydrophobicContact CE2-CE2 4.29Å |
| 55 | L | 95.8 | Very high | 94.4 | Very high | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 176.9 | -74.5 | 173.2 | 0 | 0 | 0 | 111.9 | V37 C41 K51 V52 H59 | V37-L55 HydrophobicContact CB-CD2 4.42Å; V37-L55 HydrophobicContact CG1-CD2 3.88Å; V37-L55 HydrophobicContact CG2-CD2 4.25Å; C41-L55 HydrophobicContact CB-CD2 3.75Å; C41-L55 HydrophobicContact CB-CG 4.04Å; K51-L55 HydrophobicContact CG-CD1 3.97Å; K51-L55 WeakPolarHBondContact O-CB 3.5Å; K51-L55 VanDerWaalsContact O-CG 3.25Å; K51-L55 WeakPolarHBondContact O-CG 3.28Å; K51-L55 PolarHBondContact O-N 3.48Å; V52-L55 PolarHBondContact O-N 3.23Å; L55-H59 WeakPolarHBondContact O-CB 3.44Å; L55-H59 PolarHBondContact O-N 2.93Å; L55-H59 PolarHBondContact O-ND1 3.34Å |
| 56 | L | 96.6 | Very high | 95 | Very high | 122 Ų | 122 | 61.4 Ų | 61.4 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.1 | -48 | 179 | -71.9 | 175.2 | 0 | 0 | 0 | 111.8 | V52 V53 Y54 H59 A60 | V52-L56 HydrophobicContact CG1-CD1 3.82Å; V52-L56 HydrophobicContact CG1-CG 4.32Å; V52-L56 WeakPolarHBondContact O-CB 3.42Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.48Å; V52-L56 PolarHBondContact O-N 3.48Å; V53-L56 PolarHBondContact O-N 3.36Å; Y54-L56 PolarHBondContact O-N 2.97Å; L56-H59 PolarHBondContact O-N 3.45Å; L56-A60 WeakPolarHBondContact O-CB 3.34Å; L56-A60 PolarHBondContact O-N 3.31Å |
| 57 | A | 96.7 | Very high | 95.6 | Very high | 36 Ų | 36 | 58.3 Ų | 58.3 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V53 Y54 H59 A60 I61 F184 | V53-A57 WeakPolarHBondContact O-CB 3.27Å; V53-A57 PolarHBondContact O-N 2.93Å; Y54-A57 PolarHBondContact O-N 3.49Å; A57-H59 PolarHBondContact O-N 3.43Å; A57-A60 PolarHBondContact O-N 2.86Å; A57-I61 WeakPolarHBondContact O-CG1 3.2Å; A57-I61 PolarHBondContact O-N 2.72Å; A57-I61 VanDerWaalsContact O-N 3.08Å; A57-F184 HydrophobicContact CB-CE2 3.79Å; A57-F184 HydrophobicContact CB-CZ 3.7Å |
| 58 | Y | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 177.5 | 178.4 | -96.6 | 0 | 0 | 0 | 111.8 | Y33 Y36 V37 Y54 A60 I61 F62 Y181 F184 I185 | Y33-Y58 VanDerWaalsContact CA-OH 3.28Å; Y33-Y58 WeakPolarHBondContact CA-OH 3.28Å; Y33-Y58 AromaticContact CD2-CE1 3.62Å; Y33-Y58 HydrophobicContact CD2-CE1 3.62Å; Y33-Y58 AromaticContact CE2-CE1 3.88Å; Y33-Y58 HydrophobicContact CE2-CE1 3.88Å; Y36-Y58 HydrophobicContact CD1-CD1 4.01Å; Y36-Y58 AromaticContact CD1-CD2 3.23Å; Y36-Y58 HydrophobicContact CD1-CD2 3.23Å; Y36-Y58 HydrophobicContact CD1-CE1 4.17Å; Y36-Y58 AromaticContact CD1-CE2 3.43Å; Y36-Y58 HydrophobicContact CD1-CE2 3.43Å; Y36-Y58 VanDerWaalsContact CD1-CE2 3.43Å; Y36-Y58 AromaticContact CD1-CG 3.55Å; Y36-Y58 HydrophobicContact CD1-CG 3.55Å; Y36-Y58 AromaticContact CD1-CZ 3.92Å; Y36-Y58 HydrophobicContact CD2-CD2 4.45Å; Y36-Y58 HydrophobicContact CD2-CE2 4.34Å; Y36-Y58 HydrophobicContact CE1-CD1 4.38Å; Y36-Y58 AromaticContact CE1-CD2 3.33Å; Y36-Y58 HydrophobicContact CE1-CD2 3.33Å; Y36-Y58 HydrophobicContact CE1-CE2 4.01Å; Y36-Y58 AromaticContact CE1-CG 3.55Å; Y36-Y58 HydrophobicContact CE1-CG 3.55Å; Y36-Y58 AromaticContact CG-CD2 3.84Å; Y36-Y58 HydrophobicContact CG-CD2 3.84Å; Y36-Y58 AromaticContact CG-CE2 3.62Å; Y36-Y58 HydrophobicContact CG-CE2 3.62Å; V37-Y58 HydrophobicContact CG2-CD1 3.96Å; V37-Y58 HydrophobicContact CG2-CE1 3.62Å; Y54-Y58 WeakPolarHBondContact O-CB 3.24Å; Y54-Y58 PolarHBondContact O-N 2.87Å; Y58-A60 PolarHBondContact O-N 3.48Å; Y58-I61 PolarHBondContact O-N 3.37Å; Y58-F62 HydrophobicContact CE1-CB 4.37Å; Y58-F62 WeakPolarHBondContact O-CB 3.31Å; Y58-F62 PolarHBondContact O-N 3.15Å; Y58-Y181 HydrophobicContact CD2-CE2 4.21Å; Y58-Y181 HydrophobicContact CE2-CD2 4.23Å; Y58-Y181 AromaticContact CE2-CE2 3.35Å; Y58-Y181 HydrophobicContact CE2-CE2 3.35Å; Y58-Y181 AromaticContact CE2-CZ 3.96Å; Y58-Y181 AromaticContact CZ-CE2 3.64Å; Y58-Y181 PolarHBondContact OH-OH 3.32Å; Y58-F184 HydrophobicContact CD2-CD1 4.25Å; Y58-F184 HydrophobicContact CD2-CE1 4.21Å; Y58-I185 HydrophobicContact CE2-CD1 4.15Å; Y58-I185 HydrophobicContact CE2-CG1 4.15Å |
| 59 | H | 97.4 | Very high | 96.2 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 27% | 0.269 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.4 | -38.5 | -179.4 | -77.4 | 82.1 | 0 | 0 | 0 | 112.1 | Y33 L55 L56 A57 I61 F62 I63 | Y33-H59 AromaticContact CE2-NE2 3.55Å; Y33-H59 AromaticContact CZ-NE2 3.56Å; Y33-H59 PolarHBondContact OH-NE2 3.45Å; L55-H59 WeakPolarHBondContact O-CB 3.44Å; L55-H59 PolarHBondContact O-N 2.93Å; L55-H59 PolarHBondContact O-ND1 3.34Å; L56-H59 PolarHBondContact O-N 3.45Å; A57-H59 PolarHBondContact O-N 3.43Å; H59-I61 PolarHBondContact O-N 2.89Å; H59-F62 PolarHBondContact O-N 3.27Å; H59-I63 WeakPolarHBondContact O-CB 3.31Å; H59-I63 WeakPolarHBondContact O-CD1 3.38Å; H59-I63 WeakPolarHBondContact O-CG1 3.32Å; H59-I63 PolarHBondContact O-N 2.74Å |
| 60 | A | 97.7 | Very high | 96.5 | Very high | 57 Ų | 57 | 55.1 Ų | 55.1 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L56 A57 Y58 M64 | L56-A60 WeakPolarHBondContact O-CB 3.34Å; L56-A60 PolarHBondContact O-N 3.31Å; A57-A60 PolarHBondContact O-N 2.86Å; Y58-A60 PolarHBondContact O-N 3.48Å; A60-M64 WeakPolarHBondContact O-CG 3.36Å; A60-M64 PolarHBondContact O-N 3.04Å |
| 61 | I | 97.8 | Very high | 96.8 | Very high | 23 Ų | 23 | 55.2 Ų | 55.2 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 177.5 | -63.4 | 164.4 | 0 | 0 | 0 | 110.6 | A57 Y58 H59 I63 M64 F65 L180 Y181 F184 | A57-I61 WeakPolarHBondContact O-CG1 3.2Å; A57-I61 PolarHBondContact O-N 2.72Å; A57-I61 VanDerWaalsContact O-N 3.08Å; Y58-I61 PolarHBondContact O-N 3.37Å; H59-I61 PolarHBondContact O-N 2.89Å; I61-I63 PolarHBondContact O-N 3.09Å; I61-M64 PolarHBondContact O-N 3.2Å; I61-F65 WeakPolarHBondContact O-CB 3.27Å; I61-F65 PolarHBondContact O-N 2.73Å; I61-L180 HydrophobicContact CD1-CD2 4.3Å; I61-L180 HydrophobicContact CD1-CG 4.1Å; I61-L180 HydrophobicContact CG1-CD2 4.04Å; I61-L180 HydrophobicContact CG1-CG 4.28Å; I61-L180 HydrophobicContact CG2-CD2 4.34Å; I61-L180 HydrophobicContact CG2-CG 4.17Å; I61-Y181 HydrophobicContact CG2-CD2 4.26Å; I61-F184 HydrophobicContact CD1-CB 3.96Å; I61-F184 HydrophobicContact CD1-CD1 4.36Å; I61-F184 HydrophobicContact CD1-CD2 3.83Å; I61-F184 HydrophobicContact CD1-CE2 4.45Å; I61-F184 HydrophobicContact CD1-CG 3.77Å |
| 62 | F | 97.7 | Very high | 97 | Very high | 39 Ų | 39 | 53 Ų | 53 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -44.7 | -179.5 | -178.3 | -99.7 | 0 | 0 | 0 | 112.1 | V29 Y33 Y58 H59 M64 F65 V66 Y181 | V29-F62 HydrophobicContact CG1-CE2 3.56Å; V29-F62 HydrophobicContact CG1-CZ 4.1Å; Y33-F62 HydrophobicContact CD2-CD1 4.23Å; Y33-F62 HydrophobicContact CD2-CD2 4.26Å; Y33-F62 AromaticContact CD2-CE1 3.96Å; Y33-F62 HydrophobicContact CD2-CE1 3.96Å; Y33-F62 AromaticContact CD2-CE2 3.98Å; Y33-F62 HydrophobicContact CD2-CE2 3.98Å; Y33-F62 HydrophobicContact CD2-CG 4.37Å; Y33-F62 AromaticContact CD2-CZ 3.83Å; Y33-F62 HydrophobicContact CD2-CZ 3.83Å; Y33-F62 HydrophobicContact CE2-CD1 4.35Å; Y33-F62 HydrophobicContact CE2-CE1 4.26Å; Y33-F62 HydrophobicContact CG-CZ 4.45Å; Y58-F62 HydrophobicContact CE1-CB 4.37Å; Y58-F62 WeakPolarHBondContact O-CB 3.31Å; Y58-F62 PolarHBondContact O-N 3.15Å; H59-F62 PolarHBondContact O-N 3.27Å; F62-M64 PolarHBondContact O-N 2.74Å; F62-F65 PolarHBondContact O-N 3.28Å; F62-V66 HydrophobicContact CD1-CG2 4.21Å; F62-V66 HydrophobicContact CD2-CG2 4.4Å; F62-V66 HydrophobicContact CE1-CG2 3.85Å; F62-V66 HydrophobicContact CE2-CG2 4.08Å; F62-V66 HydrophobicContact CG-CG2 4.47Å; F62-V66 HydrophobicContact CZ-CG2 3.79Å; F62-V66 WeakPolarHBondContact O-CB 3.41Å; F62-V66 WeakPolarHBondContact O-CG2 3.46Å; F62-V66 PolarHBondContact O-N 2.83Å; F62-Y181 HydrophobicContact CB-CE2 4.44Å; F62-Y181 AromaticContact CD2-CE2 3.82Å; F62-Y181 HydrophobicContact CD2-CE2 3.82Å |
| 63 | I | 97.9 | Very high | 97.1 | Very high | 102 Ų | 102 | 50.1 Ų | 50.1 | 52% | 0.523 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -46 | 176.9 | -70.9 | 164.6 | 0 | 0 | 0 | 110.4 | H59 I61 V66 W67 | H59-I63 WeakPolarHBondContact O-CB 3.31Å; H59-I63 WeakPolarHBondContact O-CD1 3.38Å; H59-I63 WeakPolarHBondContact O-CG1 3.32Å; H59-I63 PolarHBondContact O-N 2.74Å; I61-I63 PolarHBondContact O-N 3.09Å; I63-V66 PolarHBondContact O-N 3.4Å; I63-W67 WeakPolarHBondContact O-CB 3.41Å; I63-W67 PolarHBondContact O-N 2.87Å |
| 64 | M | 97.9 | Very high | 97.2 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 20% | 0.197 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.5 | -40.3 | 178.8 | -68.4 | -57.9 | -68.2 | 0 | 0 | 112.2 | A60 I61 F62 W67 A68 Y177 P281 P283 | A60-M64 WeakPolarHBondContact O-CG 3.36Å; A60-M64 PolarHBondContact O-N 3.04Å; I61-M64 PolarHBondContact O-N 3.2Å; F62-M64 PolarHBondContact O-N 2.74Å; M64-W67 HydrophobicContact CE-CE3 4.43Å; M64-W67 HydrophobicContact SD-CE3 3.9Å; M64-W67 HydrophobicContact SD-CZ3 4.22Å; M64-A68 VanDerWaalsContact O-CB 3.32Å; M64-A68 WeakPolarHBondContact O-CB 3.14Å; M64-A68 PolarHBondContact O-N 2.99Å; M64-Y177 HydrophobicContact CB-CD1 3.79Å; M64-Y177 HydrophobicContact CB-CD2 4.06Å; M64-Y177 HydrophobicContact CB-CE1 3.77Å; M64-Y177 HydrophobicContact CB-CE2 4.04Å; M64-Y177 HydrophobicContact CB-CG 3.97Å; M64-Y177 HydrophobicContact CE-CE1 4.49Å; M64-Y177 HydrophobicContact CE-CE2 3.77Å; M64-Y177 WeakPolarHBondContact CE-OH 3.37Å; M64-Y177 HydrophobicContact CG-CE1 4.26Å; M64-P281 WeakPolarHBondContact CE-O 3.25Å; M64-P283 HydrophobicContact CE-CG 4.46Å |
| 65 | F | 97.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 4% | 0.044 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -53.3 | 174.3 | 162 | -102.4 | 0 | 0 | 0 | 111.8 | V29 I61 F62 W67 A68 Y69 F174 S178 | V29-F65 HydrophobicContact CB-CE1 4.41Å; V29-F65 HydrophobicContact CG1-CE1 3.79Å; V29-F65 HydrophobicContact CG2-CE1 3.64Å; V29-F65 HydrophobicContact CG2-CZ 3.71Å; I61-F65 WeakPolarHBondContact O-CB 3.27Å; I61-F65 PolarHBondContact O-N 2.73Å; F62-F65 PolarHBondContact O-N 3.28Å; F65-W67 VanDerWaalsContact C-N 3.32Å; F65-W67 PolarHBondContact O-N 3.49Å; F65-A68 PolarHBondContact O-N 3.24Å; F65-Y69 WeakPolarHBondContact O-CB 3.06Å; F65-Y69 PolarHBondContact O-N 3.32Å; F65-F174 HydrophobicContact CD2-CD2 4.39Å; F65-F174 HydrophobicContact CD2-CE2 4.48Å; F65-F174 HydrophobicContact CE2-CD2 4.07Å; F65-F174 AromaticContact CE2-CE2 3.73Å; F65-F174 HydrophobicContact CE2-CE2 3.73Å; F65-F174 HydrophobicContact CZ-CE2 4.46Å; F65-S178 WeakPolarHBondContact CD2-OG 3.17Å; F65-S178 WeakPolarHBondContact CE2-OG 3.37Å |
| 66 | V | 97.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 34% | 0.339 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | -179.8 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | F62 I63 Y69 W70 | F62-V66 HydrophobicContact CD1-CG2 4.21Å; F62-V66 HydrophobicContact CD2-CG2 4.4Å; F62-V66 HydrophobicContact CE1-CG2 3.85Å; F62-V66 HydrophobicContact CE2-CG2 4.08Å; F62-V66 HydrophobicContact CG-CG2 4.47Å; F62-V66 HydrophobicContact CZ-CG2 3.79Å; F62-V66 WeakPolarHBondContact O-CB 3.41Å; F62-V66 WeakPolarHBondContact O-CG2 3.46Å; F62-V66 PolarHBondContact O-N 2.83Å; I63-V66 PolarHBondContact O-N 3.4Å; V66-Y69 PolarHBondContact O-N 3.39Å; V66-W70 VanDerWaalsContact O-CB 3.27Å; V66-W70 WeakPolarHBondContact O-CB 3.42Å; V66-W70 PolarHBondContact O-N 3.46Å |
| 67 | W | 98.1 | Very high | 97 | Very high | 95 Ų | 95 | 50.5 Ų | 50.5 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 177.2 | -175.6 | 13.6 | 0 | 0 | 0 | 111.7 | I63 M64 F65 Y69 W70 Q71 V282 P283 V284 | I63-W67 WeakPolarHBondContact O-CB 3.41Å; I63-W67 PolarHBondContact O-N 2.87Å; M64-W67 HydrophobicContact CE-CE3 4.43Å; M64-W67 HydrophobicContact SD-CE3 3.9Å; M64-W67 HydrophobicContact SD-CZ3 4.22Å; F65-W67 VanDerWaalsContact C-N 3.32Å; F65-W67 PolarHBondContact O-N 3.49Å; W67-Y69 PolarHBondContact O-N 3Å; W67-W70 PolarHBondContact O-N 3.36Å; W67-Q71 VanDerWaalsContact O-CG 3.31Å; W67-Q71 WeakPolarHBondContact O-CG 3.13Å; W67-Q71 PolarHBondContact O-N 3.07Å; W67-V282 HydrophobicContact CH2-CG1 3.33Å; W67-V282 HydrophobicContact CZ2-CG1 4.04Å; W67-V282 HydrophobicContact CZ3-CG1 3.75Å; W67-P283 HydrophobicContact CB-CG 4.43Å; W67-P283 HydrophobicContact CD2-CB 4.19Å; W67-P283 HydrophobicContact CD2-CG 3.93Å; W67-P283 HydrophobicContact CE3-CG 4.23Å; W67-P283 HydrophobicContact CG-CB 4.21Å; W67-P283 HydrophobicContact CG-CG 4.03Å; W67-V284 HydrophobicContact CZ2-CG1 4.28Å |
| 68 | A | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | M64 F65 Q71 T72 L173 F174 Y177 P283 | M64-A68 VanDerWaalsContact O-CB 3.32Å; M64-A68 WeakPolarHBondContact O-CB 3.14Å; M64-A68 PolarHBondContact O-N 2.99Å; F65-A68 PolarHBondContact O-N 3.24Å; A68-Q71 PolarHBondContact O-N 3.49Å; A68-T72 WeakPolarHBondContact O-CB 3.18Å; A68-T72 PolarHBondContact O-N 3.01Å; A68-T72 PolarHBondContact O-OG1 3.43Å; A68-L173 HydrophobicContact CB-CB 4.17Å; A68-F174 HydrophobicContact CB-CB 4.14Å; A68-Y177 HydrophobicContact CB-CD2 4.25Å; A68-P283 HydrophobicContact CB-CB 4.45Å; A68-P283 HydrophobicContact CB-CG 3.88Å |
| 69 | Y | 97.8 | Very high | 96.3 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 8% | 0.078 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 176.6 | -173.1 | -130.6 | 0 | 0 | 0 | 111.4 | I25 F65 V66 W67 Q71 T72 I73 W158 V159 F174 | I25-Y69 HydrophobicContact CG2-CE1 4.05Å; F65-Y69 WeakPolarHBondContact O-CB 3.06Å; F65-Y69 PolarHBondContact O-N 3.32Å; V66-Y69 PolarHBondContact O-N 3.39Å; W67-Y69 PolarHBondContact O-N 3Å; Y69-Q71 PolarHBondContact O-N 2.79Å; Y69-T72 PolarHBondContact O-N 3.06Å; Y69-T72 VanDerWaalsContact O-N 3.16Å; Y69-I73 HydrophobicContact CD1-CD1 3.81Å; Y69-I73 HydrophobicContact CD2-CD1 4.11Å; Y69-I73 HydrophobicContact CD2-CG1 4.45Å; Y69-I73 HydrophobicContact CE1-CD1 3.53Å; Y69-I73 HydrophobicContact CE2-CD1 3.86Å; Y69-I73 HydrophobicContact CE2-CG1 4.23Å; Y69-I73 HydrophobicContact CG-CD1 4.09Å; Y69-I73 WeakPolarHBondContact O-CG1 3.46Å; Y69-I73 PolarHBondContact O-N 3.47Å; Y69-W158 PolarHBondContact OH-O 3.43Å; Y69-V159 HydrophobicContact CD2-CG1 4.12Å; Y69-V159 HydrophobicContact CE2-CG1 3.73Å; Y69-F174 AromaticContact CD2-CD2 3.65Å; Y69-F174 HydrophobicContact CD2-CD2 3.65Å; Y69-F174 AromaticContact CD2-CE2 3.32Å; Y69-F174 HydrophobicContact CD2-CE2 3.32Å; Y69-F174 HydrophobicContact CD2-CG 4.36Å; Y69-F174 AromaticContact CD2-CZ 3.82Å; Y69-F174 HydrophobicContact CD2-CZ 3.82Å; Y69-F174 AromaticContact CE2-CE2 3.96Å; Y69-F174 HydrophobicContact CE2-CE2 3.96Å; Y69-F174 HydrophobicContact CE2-CZ 4.04Å; Y69-F174 HydrophobicContact CG-CD2 4.13Å; Y69-F174 AromaticContact CG-CE2 3.98Å; Y69-F174 HydrophobicContact CG-CE2 3.98Å |
| 70 | W | 97.6 | Very high | 95.9 | Very high | 148 Ų | 148 | 55.4 Ų | 55.4 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -57.5 | -49.3 | 175.9 | -177.7 | -83.1 | 0 | 0 | 0 | 111.9 | V66 W67 T72 I73 F74 | V66-W70 VanDerWaalsContact O-CB 3.27Å; V66-W70 WeakPolarHBondContact O-CB 3.42Å; V66-W70 PolarHBondContact O-N 3.46Å; W67-W70 PolarHBondContact O-N 3.36Å; W70-T72 VanDerWaalsContact C-N 3.27Å; W70-T72 PolarHBondContact O-N 2.82Å; W70-I73 PolarHBondContact O-N 2.93Å; W70-F74 AromaticContact CD1-CD2 3.95Å; W70-F74 AromaticContact CD2-CD2 3.43Å; W70-F74 HydrophobicContact CD2-CD2 3.43Å; W70-F74 VanDerWaalsContact CD2-CD2 3.43Å; W70-F74 AromaticContact CD2-CE2 3.56Å; W70-F74 HydrophobicContact CD2-CE2 3.56Å; W70-F74 AromaticContact CE2-CD2 3.36Å; W70-F74 AromaticContact CE2-CE2 3.69Å; W70-F74 AromaticContact CE3-CD2 3.86Å; W70-F74 HydrophobicContact CE3-CD2 3.86Å; W70-F74 AromaticContact CE3-CE2 3.45Å; W70-F74 HydrophobicContact CE3-CE2 3.45Å; W70-F74 VanDerWaalsContact CE3-CE2 3.45Å; W70-F74 AromaticContact CG-CD2 3.82Å; W70-F74 HydrophobicContact CG-CD2 3.82Å; W70-F74 HydrophobicContact CG-CE2 4.32Å; W70-F74 HydrophobicContact CH2-CD2 4.13Å; W70-F74 AromaticContact CH2-CE2 3.62Å; W70-F74 HydrophobicContact CH2-CE2 3.62Å; W70-F74 HydrophobicContact CH2-CZ 4.05Å; W70-F74 AromaticContact CZ2-CD2 3.74Å; W70-F74 HydrophobicContact CZ2-CD2 3.74Å; W70-F74 AromaticContact CZ2-CE2 3.73Å; W70-F74 HydrophobicContact CZ2-CE2 3.73Å; W70-F74 HydrophobicContact CZ2-CG 4.38Å; W70-F74 HydrophobicContact CZ2-CZ 4.35Å; W70-F74 HydrophobicContact CZ3-CD2 4.19Å; W70-F74 AromaticContact CZ3-CE2 3.48Å; W70-F74 HydrophobicContact CZ3-CE2 3.48Å; W70-F74 VanDerWaalsContact CZ3-CE2 3.48Å; W70-F74 HydrophobicContact CZ3-CZ 4.14Å; W70-F74 AromaticContact NE1-CD2 3.69Å; W70-F74 WeakPolarHBondContact O-CD2 3.05Å; W70-F74 PolarHBondContact O-N 3.42Å |
| 71 | Q | 97.7 | Very high | 95.6 | Very high | 54 Ų | 54 | 56.4 Ų | 56.4 | 25% | 0.252 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 178.4 | -69.2 | -65 | -28.7 | 0 | 0 | 111.6 | W67 A68 Y69 T75 F170 P283 | W67-Q71 VanDerWaalsContact O-CG 3.31Å; W67-Q71 WeakPolarHBondContact O-CG 3.13Å; W67-Q71 PolarHBondContact O-N 3.07Å; A68-Q71 PolarHBondContact O-N 3.49Å; Y69-Q71 PolarHBondContact O-N 2.79Å; Q71-T75 WeakPolarHBondContact O-CB 3.42Å; Q71-T75 PolarHBondContact O-N 2.64Å; Q71-T75 PolarHBondContact O-OG1 3.04Å; Q71-F170 HydrophobicContact CB-CB 4.07Å; Q71-F170 HydrophobicContact CB-CD1 4.21Å; Q71-F170 HydrophobicContact CB-CD2 3.83Å; Q71-F170 HydrophobicContact CB-CE2 4.31Å; Q71-F170 HydrophobicContact CB-CG 3.78Å; Q71-P283 HydrophobicContact CB-CB 4.39Å; Q71-P283 HydrophobicContact CG-CB 3.97Å |
| 72 | T | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67 | -40.4 | 178.4 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | A68 Y69 W70 V159 N161 N167 F170 F171 | A68-T72 WeakPolarHBondContact O-CB 3.18Å; A68-T72 PolarHBondContact O-N 3.01Å; A68-T72 PolarHBondContact O-OG1 3.43Å; Y69-T72 PolarHBondContact O-N 3.06Å; Y69-T72 VanDerWaalsContact O-N 3.16Å; W70-T72 VanDerWaalsContact C-N 3.27Å; W70-T72 PolarHBondContact O-N 2.82Å; T72-V159 HydrophobicContact CG2-CB 4.2Å; T72-V159 HydrophobicContact CG2-CG1 3.79Å; T72-V159 HydrophobicContact CG2-CG2 4.22Å; T72-N161 PolarHBondContact O-ND2 2.72Å; T72-N167 PolarHBondContact O-ND2 2.68Å; T72-F170 WeakPolarHBondContact OG1-CB 3.2Å; T72-F170 PolarHBondContact OG1-O 3.33Å; T72-F171 HydrophobicContact CG2-CB 4.01Å; T72-F171 HydrophobicContact CG2-CD2 4.16Å; T72-F171 PolarHBondContact OG1-N 2.97Å |
| 73 | I | 96.7 | Very high | 94.8 | Very high | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.1 | -53.5 | 177.3 | -66.3 | 163.8 | 0 | 0 | 0 | 111 | W19 V22 Y69 W70 V159 N161 | W19-I73 HydrophobicContact CH2-CG2 3.91Å; W19-I73 HydrophobicContact CZ3-CG2 3.96Å; V22-I73 HydrophobicContact CG1-CD1 3.86Å; Y69-I73 HydrophobicContact CD1-CD1 3.81Å; Y69-I73 HydrophobicContact CD2-CD1 4.11Å; Y69-I73 HydrophobicContact CD2-CG1 4.45Å; Y69-I73 HydrophobicContact CE1-CD1 3.53Å; Y69-I73 HydrophobicContact CE2-CD1 3.86Å; Y69-I73 HydrophobicContact CE2-CG1 4.23Å; Y69-I73 HydrophobicContact CG-CD1 4.09Å; Y69-I73 WeakPolarHBondContact O-CG1 3.46Å; Y69-I73 PolarHBondContact O-N 3.47Å; W70-I73 PolarHBondContact O-N 2.93Å; I73-V159 HydrophobicContact CG1-CB 3.83Å; I73-V159 HydrophobicContact CG1-CG1 4.25Å; I73-N161 PolarHBondContact O-ND2 3.32Å |
| 74 | F | 96.8 | Very high | 94.4 | Very high | 96 Ų | 96 | 62.1 Ų | 62.1 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -93 | -12.4 | -165.1 | -66.2 | -71.3 | 0 | 0 | 0 | 114.4 | W19 W70 K76 | W19-F74 AromaticContact CH2-CE1 3.91Å; W19-F74 HydrophobicContact CH2-CE1 3.91Å; W19-F74 HydrophobicContact CH2-CZ 4.2Å; W19-F74 HydrophobicContact CZ3-CZ 4.49Å; W70-F74 AromaticContact CD1-CD2 3.95Å; W70-F74 AromaticContact CD2-CD2 3.43Å; W70-F74 HydrophobicContact CD2-CD2 3.43Å; W70-F74 VanDerWaalsContact CD2-CD2 3.43Å; W70-F74 AromaticContact CD2-CE2 3.56Å; W70-F74 HydrophobicContact CD2-CE2 3.56Å; W70-F74 AromaticContact CE2-CD2 3.36Å; W70-F74 AromaticContact CE2-CE2 3.69Å; W70-F74 AromaticContact CE3-CD2 3.86Å; W70-F74 HydrophobicContact CE3-CD2 3.86Å; W70-F74 AromaticContact CE3-CE2 3.45Å; W70-F74 HydrophobicContact CE3-CE2 3.45Å; W70-F74 VanDerWaalsContact CE3-CE2 3.45Å; W70-F74 AromaticContact CG-CD2 3.82Å; W70-F74 HydrophobicContact CG-CD2 3.82Å; W70-F74 HydrophobicContact CG-CE2 4.32Å; W70-F74 HydrophobicContact CH2-CD2 4.13Å; W70-F74 AromaticContact CH2-CE2 3.62Å; W70-F74 HydrophobicContact CH2-CE2 3.62Å; W70-F74 HydrophobicContact CH2-CZ 4.05Å; W70-F74 AromaticContact CZ2-CD2 3.74Å; W70-F74 HydrophobicContact CZ2-CD2 3.74Å; W70-F74 AromaticContact CZ2-CE2 3.73Å; W70-F74 HydrophobicContact CZ2-CE2 3.73Å; W70-F74 HydrophobicContact CZ2-CG 4.38Å; W70-F74 HydrophobicContact CZ2-CZ 4.35Å; W70-F74 HydrophobicContact CZ3-CD2 4.19Å; W70-F74 AromaticContact CZ3-CE2 3.48Å; W70-F74 HydrophobicContact CZ3-CE2 3.48Å; W70-F74 VanDerWaalsContact CZ3-CE2 3.48Å; W70-F74 HydrophobicContact CZ3-CZ 4.14Å; W70-F74 AromaticContact NE1-CD2 3.69Å; W70-F74 WeakPolarHBondContact O-CD2 3.05Å; W70-F74 PolarHBondContact O-N 3.42Å; F74-K76 PolarHBondContact O-N 2.71Å; F74-K76 VanDerWaalsContact O-N 3.07Å |
| 75 | T | 96.4 | Very high | 94.1 | Very high | 26 Ų | 26 | 65 Ų | 65 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -69.9 | 108.2 | 170.9 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | Q71 N161 N167 F170 | Q71-T75 WeakPolarHBondContact O-CB 3.42Å; Q71-T75 PolarHBondContact O-N 2.64Å; Q71-T75 PolarHBondContact O-OG1 3.04Å; T75-N161 PolarHBondContact O-ND2 2.78Å; T75-N167 HydrophobicContact CG2-CB 4.01Å; T75-F170 HydrophobicContact CG2-CD2 4.26Å; T75-F170 HydrophobicContact CG2-CE2 3.91Å; T75-F170 WeakPolarHBondContact OG1-CD2 3.27Å; T75-F170 VanDerWaalsContact OG1-CE2 3.28Å; T75-F170 WeakPolarHBondContact OG1-CE2 3.32Å |
| 76 | K | 93.9 | Very high | 93.7 | Very high | 177 Ų | 177 | 65 Ų | 65 | 77% | 0.77 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 138.6 | 177.8 | -66.3 | 178.7 | -176.8 | 173.2 | 0 | 109.9 | F74 M78 S166 | F74-K76 PolarHBondContact O-N 2.71Å; F74-K76 VanDerWaalsContact O-N 3.07Å; K76-M78 PolarHBondContact O-N 3.12Å; K76-S166 PolarHBondContact O-OG 3.46Å |
| 77 | P | 92.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 130.5 | 171.1 | -21.7 | 26.4 | 0 | 0 | 0 | 110.5 | K147 I149 N161 C162 S166 | P77-K147 VanDerWaalsContact CD-NZ 3.34Å; P77-K147 PolarHBondContact O-NZ 2.86Å; P77-I149 HydrophobicContact CB-CD1 3.47Å; P77-I149 VanDerWaalsContact CB-CD1 3.47Å; P77-I149 HydrophobicContact CB-CG2 4.21Å; P77-I149 HydrophobicContact CG-CD1 3.75Å; P77-N161 VanDerWaalsContact CD-OD1 3.27Å; P77-N161 WeakPolarHBondContact CD-OD1 3.45Å; P77-N161 WeakPolarHBondContact CG-OD1 3.07Å; P77-C162 HydrophobicContact CG-CB 3.92Å; P77-S166 WeakPolarHBondContact CA-OG 3.4Å |
| 78 | M | 90.1 | Very high | 92.8 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 139.8 | 177.4 | -171.7 | 176.2 | -69.8 | 0 | 0 | 110.8 | K76 L150 F165 S166 | K76-M78 PolarHBondContact O-N 3.12Å; M78-L150 HydrophobicContact CB-CD1 4.16Å; M78-L150 HydrophobicContact CG-CD1 3.98Å; M78-L150 HydrophobicContact SD-CD1 4.2Å; M78-F165 HydrophobicContact CE-CE1 4.47Å; M78-F165 HydrophobicContact SD-CD1 4.22Å; M78-F165 HydrophobicContact SD-CE1 4.37Å; M78-S166 PolarHBondContact N-OG 3.2Å |
| 79 | N | 87.8 | Confident | 92.3 | Very high | 105 Ų | 105 | 70.1 Ų | 70.1 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 148.6 | 177.3 | -65.6 | -33.3 | 0 | 0 | 0 | 110.1 | ||
| 80 | P | 90.1 | Very high | 91.9 | Very high | 12 Ų | 12 | 71.1 Ų | 71.1 | 8% | 0.078 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -54 | 147.6 | 167.2 | -23.3 | 33.7 | 0 | 0 | 0 | 112.1 | F84 L133 P136 C148 L150 | P80-F84 HydrophobicContact CB-CB 4.43Å; P80-L133 HydrophobicContact CG-CD1 4.4Å; P80-L133 HydrophobicContact CG-CD2 4.09Å; P80-P136 HydrophobicContact CB-CG 4.11Å; P80-C148 HydrophobicContact CG-CB 4.06Å; P80-L150 HydrophobicContact CB-CD2 4.17Å; P80-L150 HydrophobicContact CG-CD2 3.9Å |
| 81 | L | 90 | Very high | 91.5 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 40% | 0.403 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 152.6 | 174.7 | -67.3 | 171.9 | 0 | 0 | 0 | 110.9 | E83 F84 C292 | L81-E83 HydrophobicContact CB-CG 3.9Å; L81-E83 VanDerWaalsContact CD1-OE1 3.32Å; L81-E83 WeakPolarHBondContact CD1-OE1 3.5Å; L81-E83 PolarHBondContact O-N 3.33Å; L81-F84 HydrophobicContact CB-CD2 4.06Å; L81-F84 HydrophobicContact CB-CE2 4.39Å; L81-F84 PolarHBondContact O-N 3.33Å; L81-F84 VanDerWaalsContact O-N 3.09Å; L81-C292 HydrophobicContact CD1-CB 4.31Å |
| 82 | K | 88.2 | Confident | 91 | Very high | 178 Ų | 178 | 68.1 Ų | 68.1 | 77% | 0.774 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -60.3 | -29.2 | -176.8 | -70.5 | -175.6 | 179 | 179.7 | 0 | 113 | F84 Q85 | K82-F84 PolarHBondContact O-N 2.88Å; K82-Q85 VanDerWaalsContact O-CB 3.32Å; K82-Q85 WeakPolarHBondContact O-CB 3.33Å; K82-Q85 PolarHBondContact O-N 3.35Å |
| 83 | E | 90.2 | Very high | 90.6 | Very high | 106 Ų | 106 | 72.4 Ų | 72.4 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -59.9 | -26.2 | 176.3 | 65.7 | -165.5 | -176.3 | 0 | 0 | 113.8 | L81 Q85 L114 | L81-E83 HydrophobicContact CB-CG 3.9Å; L81-E83 VanDerWaalsContact CD1-OE1 3.32Å; L81-E83 WeakPolarHBondContact CD1-OE1 3.5Å; L81-E83 PolarHBondContact O-N 3.33Å; E83-Q85 VanDerWaalsContact C-N 3.34Å; E83-L114 HydrophobicContact CB-CD2 4.06Å; E83-L114 HydrophobicContact CG-CD2 3.96Å |
| 84 | F | 91 | Very high | 90.2 | Very high | 1 Ų | 1 | 72.3 Ų | 72.3 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -82.7 | -13.9 | 175.2 | -69.6 | -90.9 | 0 | 0 | 0 | 112.8 | P80 L81 K82 L114 P115 I116 L133 L134 P136 C292 | P80-F84 HydrophobicContact CB-CB 4.43Å; L81-F84 HydrophobicContact CB-CD2 4.06Å; L81-F84 HydrophobicContact CB-CE2 4.39Å; L81-F84 PolarHBondContact O-N 3.33Å; L81-F84 VanDerWaalsContact O-N 3.09Å; K82-F84 PolarHBondContact O-N 2.88Å; F84-L114 HydrophobicContact CD1-CD1 4.02Å; F84-L114 HydrophobicContact CE1-CB 4.33Å; F84-L114 HydrophobicContact CE1-CD1 4.36Å; F84-P115 HydrophobicContact CZ-CG 4.1Å; F84-I116 HydrophobicContact CD1-CD1 4.08Å; F84-I116 HydrophobicContact CD1-CG1 4.45Å; F84-I116 HydrophobicContact CE1-CD1 3.86Å; F84-I116 HydrophobicContact CE1-CG1 3.73Å; F84-L133 CarbonylContact O-C 3.45Å; F84-L133 VanDerWaalsContact O-CA 3.29Å; F84-L133 WeakPolarHBondContact O-CA 3.23Å; F84-L133 VanDerWaalsContact O-CB 3.3Å; F84-L133 WeakPolarHBondContact O-CB 3.38Å; F84-L134 WeakPolarHBondContact CB-O 3.49Å; F84-L134 WeakPolarHBondContact CD1-O 3.36Å; F84-L134 PolarHBondContact O-N 2.95Å; F84-P136 HydrophobicContact CB-CG 4.48Å; F84-P136 HydrophobicContact CD1-CB 4.19Å; F84-P136 HydrophobicContact CD1-CG 3.61Å; F84-P136 HydrophobicContact CD2-CG 4.12Å; F84-P136 HydrophobicContact CE1-CB 3.82Å; F84-P136 HydrophobicContact CE1-CG 3.74Å; F84-P136 HydrophobicContact CE2-CG 4.25Å; F84-P136 HydrophobicContact CG-CG 3.81Å; F84-P136 HydrophobicContact CZ-CB 4.09Å; F84-P136 HydrophobicContact CZ-CG 4.07Å; F84-C292 HydrophobicContact CE2-CB 3.67Å; F84-C292 HydrophobicContact CZ-CB 4Å |
| 85 | Q | 90.9 | Very high | 89.7 | Confident | 100 Ų | 100 | 74.2 Ų | 74.2 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -80 | 135.6 | 176.8 | -60 | -176 | -30.6 | 0 | 0 | 109.3 | K82 E83 S87 L133 | K82-Q85 VanDerWaalsContact O-CB 3.32Å; K82-Q85 WeakPolarHBondContact O-CB 3.33Å; K82-Q85 PolarHBondContact O-N 3.35Å; E83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-S87 PolarHBondContact O-N 3.47Å; Q85-L133 HydrophobicContact CG-CB 4.41Å |
| 86 | L | 89.6 | Confident | 89.3 | Confident | 9 Ų | 9 | 81.6 Ų | 81.6 | 5% | 0.047 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 137.9 | 174.9 | -70.9 | 169.3 | 0 | 0 | 0 | 110.2 | D90 K91 L94 L107 I110 F127 Q132 L134 | L86-D90 HydrophobicContact CB-CB 4.36Å; L86-D90 HydrophobicContact CD2-CB 3.85Å; L86-K91 HydrophobicContact CB-CD 4.42Å; L86-K91 HydrophobicContact CB-CG 3.65Å; L86-K91 HydrophobicContact CD1-CG 4.17Å; L86-K91 WeakPolarHBondContact O-CE 3.5Å; L86-L94 HydrophobicContact CD1-CD2 4.07Å; L86-L107 HydrophobicContact CD2-CD2 4.5Å; L86-I110 HydrophobicContact CD2-CD1 3.54Å; L86-F127 HydrophobicContact CD1-CD2 4.45Å; L86-F127 HydrophobicContact CD1-CE2 3.36Å; L86-F127 HydrophobicContact CD1-CZ 3.64Å; L86-F127 HydrophobicContact CG-CE2 4.18Å; L86-Q132 PolarHBondContact N-O 3.15Å; L86-Q132 VanDerWaalsContact N-O 3.14Å; L86-L134 HydrophobicContact CD2-CD1 3.62Å; L86-L134 HydrophobicContact CG-CD1 4.08Å |
| 87 | S | 89.2 | Confident | 89 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 164.2 | 168.6 | 75.1 | 0 | 0 | 0 | 0 | 110.3 | Q85 S89 D90 K91 | Q85-S87 PolarHBondContact O-N 3.47Å; S87-S89 VanDerWaalsContact C-N 3.28Å; S87-S89 PolarHBondContact O-N 3.05Å; S87-S89 PolarHBondContact OG-OG 3.03Å; S87-D90 WeakPolarHBondContact CB-OD2 3.37Å; S87-D90 PolarHBondContact O-N 2.92Å; S87-D90 PolarHBondContact OG-N 3.33Å; S87-D90 VanDerWaalsContact OG-N 3.16Å; S87-D90 PolarHBondContact OG-OD2 3.32Å; S87-K91 WeakPolarHBondContact O-CG 3.42Å; S87-K91 PolarHBondContact O-N 2.9Å; S87-K91 VanDerWaalsContact O-N 3.08Å |
| 88 | H | 87.9 | Confident | 88.4 | Confident | 141 Ų | 141 | 82.7 Ų | 82.7 | 65% | 0.653 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.1 | -41.6 | 177.8 | -166.6 | -82.9 | 0 | 0 | 0 | 111.7 | K91 E92 | H88-K91 PolarHBondContact O-N 3.37Å; H88-E92 IonicContact CE1-OE1 2.73Å; H88-E92 PolarHBondContact CE1-OE1 3.5Å; H88-E92 IonicContact ND1-OE1 3.44Å; H88-E92 PolarHBondContact ND1-OE1 3.29Å; H88-E92 PolarHBondContact O-N 3.49Å; H88-E92 VanDerWaalsContact O-N 3.13Å |
| 89 | S | 87.7 | Confident | 88 | Confident | 70 Ų | 70 | 86.7 Ų | 86.7 | 49% | 0.49 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176.9 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | S87 K91 E92 L93 | S87-S89 VanDerWaalsContact C-N 3.28Å; S87-S89 PolarHBondContact O-N 3.05Å; S87-S89 PolarHBondContact OG-OG 3.03Å; S89-K91 VanDerWaalsContact C-N 3.32Å; S89-K91 PolarHBondContact O-N 3.25Å; S89-E92 PolarHBondContact O-N 3.49Å; S89-L93 VanDerWaalsContact O-CG 3.27Å; S89-L93 WeakPolarHBondContact O-CG 3.49Å; S89-L93 PolarHBondContact O-N 3.28Å |
| 90 | D | 88.6 | Confident | 87.8 | Confident | 42 Ų | 42 | 83.9 Ų | 83.9 | 23% | 0.225 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.7 | -33.5 | -179.8 | -59.1 | -37.1 | 0 | 0 | 0 | 112.1 | L86 S87 L93 L94 I110 | L86-D90 HydrophobicContact CB-CB 4.36Å; L86-D90 HydrophobicContact CD2-CB 3.85Å; S87-D90 WeakPolarHBondContact CB-OD2 3.37Å; S87-D90 PolarHBondContact O-N 2.92Å; S87-D90 PolarHBondContact OG-N 3.33Å; S87-D90 VanDerWaalsContact OG-N 3.16Å; S87-D90 PolarHBondContact OG-OD2 3.32Å; D90-L93 PolarHBondContact O-N 3.02Å; D90-L94 WeakPolarHBondContact O-CB 3.47Å; D90-L94 PolarHBondContact O-N 3.46Å; D90-I110 HydrophobicContact CB-CD1 3.79Å |
| 91 | K | 88.8 | Confident | 87.6 | Confident | 70 Ų | 70 | 91.4 Ų | 91.4 | 30% | 0.304 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.9 | -49 | 173.9 | -70 | 175.5 | -168.5 | 174.8 | 0 | 111.2 | L86 S87 H88 S89 L93 L94 E95 Q132 | L86-K91 HydrophobicContact CB-CD 4.42Å; L86-K91 HydrophobicContact CB-CG 3.65Å; L86-K91 HydrophobicContact CD1-CG 4.17Å; L86-K91 WeakPolarHBondContact O-CE 3.5Å; S87-K91 WeakPolarHBondContact O-CG 3.42Å; S87-K91 PolarHBondContact O-N 2.9Å; S87-K91 VanDerWaalsContact O-N 3.08Å; H88-K91 PolarHBondContact O-N 3.37Å; S89-K91 VanDerWaalsContact C-N 3.32Å; S89-K91 PolarHBondContact O-N 3.25Å; K91-L93 VanDerWaalsContact C-N 3.29Å; K91-L93 PolarHBondContact O-N 3.35Å; K91-L94 PolarHBondContact O-N 3.07Å; K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 WeakPolarHBondContact O-CG 3.42Å; K91-E95 PolarHBondContact O-N 2.84Å; K91-Q132 HydrophobicContact CD-CB 4.3Å |
| 92 | E | 88.4 | Confident | 87.4 | Confident | 68 Ų | 68 | 89.3 Ų | 89.3 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 177 | -73.9 | -176.9 | -146 | 0 | 0 | 111.9 | H88 S89 L94 E95 R96 | H88-E92 IonicContact CE1-OE1 2.73Å; H88-E92 PolarHBondContact CE1-OE1 3.5Å; H88-E92 IonicContact ND1-OE1 3.44Å; H88-E92 PolarHBondContact ND1-OE1 3.29Å; H88-E92 PolarHBondContact O-N 3.49Å; H88-E92 VanDerWaalsContact O-N 3.13Å; S89-E92 PolarHBondContact O-N 3.49Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 2.99Å; E92-E95 PolarHBondContact O-N 2.92Å; E92-R96 WeakPolarHBondContact O-CB 3.41Å; E92-R96 WeakPolarHBondContact O-CD 3.33Å; E92-R96 WeakPolarHBondContact O-CG 3.21Å; E92-R96 PolarHBondContact O-N 2.97Å; E92-R96 IonicContact OE2-CZ 3.98Å; E92-R96 IonicContact OE2-NH2 2.9Å; E92-R96 PolarHBondContact OE2-NH2 2.7Å |
| 93 | L | 88.3 | Confident | 87.4 | Confident | 90 Ų | 90 | 83.8 Ų | 83.8 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 176.5 | -72.6 | 171.7 | 0 | 0 | 0 | 111.8 | S89 D90 K91 E97 | S89-L93 VanDerWaalsContact O-CG 3.27Å; S89-L93 WeakPolarHBondContact O-CG 3.49Å; S89-L93 PolarHBondContact O-N 3.28Å; D90-L93 PolarHBondContact O-N 3.02Å; K91-L93 VanDerWaalsContact C-N 3.29Å; K91-L93 PolarHBondContact O-N 3.35Å; L93-E97 PolarHBondContact O-N 3.16Å |
| 94 | L | 87.9 | Confident | 87.4 | Confident | 13 Ų | 13 | 80.6 Ų | 80.6 | 7% | 0.068 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | 178 | -168.6 | 71.4 | 0 | 0 | 0 | 112.1 | L86 D90 K91 E92 E97 Q103 L107 F127 | L86-L94 HydrophobicContact CD1-CD2 4.07Å; D90-L94 WeakPolarHBondContact O-CB 3.47Å; D90-L94 PolarHBondContact O-N 3.46Å; K91-L94 PolarHBondContact O-N 3.07Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 2.99Å; L94-E97 PolarHBondContact O-N 2.74Å; L94-Q103 HydrophobicContact CD1-CB 3.7Å; L94-Q103 HydrophobicContact CD1-CG 3.86Å; L94-Q103 PolarHBondContact O-NE2 2.88Å; L94-L107 HydrophobicContact CD1-CD1 4.47Å; L94-L107 HydrophobicContact CD1-CD2 4.44Å; L94-L107 HydrophobicContact CD1-CG 4.18Å; L94-L107 HydrophobicContact CD2-CD2 4.47Å; L94-F127 HydrophobicContact CD2-CE1 3.84Å; L94-F127 HydrophobicContact CD2-CZ 3.78Å |
| 95 | E | 86.8 | Confident | 87.4 | Confident | 137 Ų | 137 | 85.3 Ų | 85.3 | 64% | 0.64 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -70.7 | -30.4 | 179.2 | -74.6 | 177.3 | 178.7 | 0 | 0 | 113 | K91 E92 E97 | K91-E95 WeakPolarHBondContact O-CB 3.38Å; K91-E95 WeakPolarHBondContact O-CG 3.42Å; K91-E95 PolarHBondContact O-N 2.84Å; E92-E95 PolarHBondContact O-N 2.92Å; E95-E97 VanDerWaalsContact C-N 3.32Å |
| 96 | R | 87.1 | Confident | 87.3 | Confident | 180 Ų | 180 | 82.4 Ų | 82.4 | 68% | 0.679 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -76 | -19.2 | 177.6 | -73.1 | 171.2 | -165.5 | -161.2 | 8.6 | 113.5 | E92 | E92-R96 WeakPolarHBondContact O-CB 3.41Å; E92-R96 WeakPolarHBondContact O-CD 3.33Å; E92-R96 WeakPolarHBondContact O-CG 3.21Å; E92-R96 PolarHBondContact O-N 2.97Å; E92-R96 IonicContact OE2-CZ 3.98Å; E92-R96 IonicContact OE2-NH2 2.9Å; E92-R96 PolarHBondContact OE2-NH2 2.7Å |
| 97 | E | 88.1 | Confident | 87.4 | Confident | 52 Ų | 52 | 82.1 Ų | 82.1 | 24% | 0.243 | 41% | 0.407 | C | S | . | . | trans | -94.8 | 116 | -177.9 | -173.7 | 67.3 | -137.9 | 0 | 0 | 110.5 | L93 L94 E95 R99 S102 Q103 I106 | L93-E97 PolarHBondContact O-N 3.16Å; L94-E97 PolarHBondContact O-N 2.74Å; E95-E97 VanDerWaalsContact C-N 3.32Å; E97-R99 IonicContact OE1-CZ 3.45Å; E97-R99 IonicContact OE1-NE 2.94Å; E97-R99 PolarHBondContact OE1-NE 2.97Å; E97-R99 VanDerWaalsContact OE1-NE 3.15Å; E97-R99 IonicContact OE1-NH2 3.15Å; E97-R99 PolarHBondContact OE1-NH2 2.85Å; E97-S102 VanDerWaalsContact OE1-CB 3.23Å; E97-S102 WeakPolarHBondContact OE1-CB 3.28Å; E97-S102 PolarHBondContact OE1-OG 3.43Å; E97-Q103 HydrophobicContact CB-CG 4.09Å; E97-Q103 HydrophobicContact CG-CG 4.12Å; E97-Q103 WeakPolarHBondContact O-CG 3.42Å; E97-Q103 PolarHBondContact O-NE2 3.1Å; E97-I106 HydrophobicContact CB-CD1 4.49Å | ||
| 98 | D | 79.1 | Confident | 87.5 | Confident | 156 Ų | 156 | 84.7 Ų | 84.7 | 83% | 0.834 | 41% | 0.409 | S | S | * | . | trans | -82.4 | -17.7 | -178.5 | -69.3 | -36.7 | 0 | 0 | 0 | 113.4 | ||||
| 99 | R | 83.4 | Confident | 87.6 | Confident | 165 Ų | 165 | 87.2 Ų | 87.2 | 62% | 0.623 | 41% | 0.413 | S | S | * | . | trans | -93.2 | 123 | -175.9 | -63.8 | -179.1 | -62.8 | 176.3 | -0.3 | 111.5 | E97 E101 S102 Q103 | E97-R99 IonicContact OE1-CZ 3.45Å; E97-R99 IonicContact OE1-NE 2.94Å; E97-R99 PolarHBondContact OE1-NE 2.97Å; E97-R99 VanDerWaalsContact OE1-NE 3.15Å; E97-R99 IonicContact OE1-NH2 3.15Å; E97-R99 PolarHBondContact OE1-NH2 2.85Å; R99-E101 VanDerWaalsContact C-N 3.25Å; R99-E101 PolarHBondContact O-N 3.18Å; R99-S102 PolarHBondContact NH2-OG 3.39Å; R99-S102 PolarHBondContact O-N 3.49Å; R99-S102 VanDerWaalsContact O-N 3.14Å; R99-Q103 WeakPolarHBondContact O-CG 3.23Å; R99-Q103 PolarHBondContact O-N 2.95Å | ||
| 100 | G | 82.3 | Confident | 87.7 | Confident | 46 Ų | 46 | 85.6 Ų | 85.6 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58 | -32 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q104 | G100-Q104 WeakPolarHBondContact O-CG 3.43Å; G100-Q104 PolarHBondContact O-N 3.02Å |
| 101 | E | 85.4 | Confident | 87.8 | Confident | 171 Ų | 171 | 83.8 Ų | 83.8 | 80% | 0.799 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.5 | -43.7 | 176.8 | -65.6 | -171.4 | 156.3 | 0 | 0 | 112.5 | R99 Q104 E105 | R99-E101 VanDerWaalsContact C-N 3.25Å; R99-E101 PolarHBondContact O-N 3.18Å; E101-Q104 WeakPolarHBondContact O-CB 3.36Å; E101-Q104 PolarHBondContact O-N 2.68Å; E101-E105 PolarHBondContact O-N 3.36Å |
| 102 | S | 86.6 | Confident | 87.8 | Confident | 32 Ų | 32 | 88.2 Ų | 88.2 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 178 | -63.3 | 0 | 0 | 0 | 0 | 111.4 | E97 R99 Q104 E105 I106 | E97-S102 VanDerWaalsContact OE1-CB 3.23Å; E97-S102 WeakPolarHBondContact OE1-CB 3.28Å; E97-S102 PolarHBondContact OE1-OG 3.43Å; R99-S102 PolarHBondContact NH2-OG 3.39Å; R99-S102 PolarHBondContact O-N 3.49Å; R99-S102 VanDerWaalsContact O-N 3.14Å; S102-Q104 VanDerWaalsContact C-N 3.32Å; S102-Q104 PolarHBondContact O-N 2.76Å; S102-E105 PolarHBondContact O-N 3.2Å; S102-E105 VanDerWaalsContact O-N 3.16Å; S102-I106 WeakPolarHBondContact O-CG1 3.26Å; S102-I106 PolarHBondContact O-N 2.58Å; S102-I106 VanDerWaalsContact O-N 3.12Å |
| 103 | Q | 87.4 | Confident | 87.7 | Confident | 63 Ų | 63 | 92 Ų | 92 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.9 | -43.6 | 169.5 | -71.3 | -176.5 | -22.8 | 0 | 0 | 112 | L94 E97 R99 E105 I106 L107 | L94-Q103 HydrophobicContact CD1-CB 3.7Å; L94-Q103 HydrophobicContact CD1-CG 3.86Å; L94-Q103 PolarHBondContact O-NE2 2.88Å; E97-Q103 HydrophobicContact CB-CG 4.09Å; E97-Q103 HydrophobicContact CG-CG 4.12Å; E97-Q103 WeakPolarHBondContact O-CG 3.42Å; E97-Q103 PolarHBondContact O-NE2 3.1Å; R99-Q103 WeakPolarHBondContact O-CG 3.23Å; R99-Q103 PolarHBondContact O-N 2.95Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 2.73Å; Q103-I106 PolarHBondContact O-N 3.3Å; Q103-L107 WeakPolarHBondContact O-CG 3.4Å; Q103-L107 PolarHBondContact O-N 3.38Å |
| 104 | Q | 91.1 | Very high | 87.8 | Confident | 39 Ų | 39 | 88.6 Ų | 88.6 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -65.1 | -33.3 | 176.5 | -75.7 | -59.2 | -49.4 | 0 | 0 | 112.8 | G100 E101 S102 L107 R108 A124 | G100-Q104 WeakPolarHBondContact O-CG 3.43Å; G100-Q104 PolarHBondContact O-N 3.02Å; E101-Q104 WeakPolarHBondContact O-CB 3.36Å; E101-Q104 PolarHBondContact O-N 2.68Å; S102-Q104 VanDerWaalsContact C-N 3.32Å; S102-Q104 PolarHBondContact O-N 2.76Å; Q104-L107 PolarHBondContact O-N 2.9Å; Q104-R108 WeakPolarHBondContact O-CB 3.42Å; Q104-R108 VanDerWaalsContact O-CG 3.27Å; Q104-R108 WeakPolarHBondContact O-CG 3.21Å; Q104-R108 PolarHBondContact O-N 3.23Å; Q104-A124 HydrophobicContact CG-CB 4.38Å |
| 105 | E | 90 | Very high | 87.9 | Confident | 99 Ų | 99 | 89.8 Ų | 89.8 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 176.7 | -168 | 53.7 | -149 | 0 | 0 | 112.4 | E101 S102 Q103 L107 R108 R109 | E101-E105 PolarHBondContact O-N 3.36Å; S102-E105 PolarHBondContact O-N 3.2Å; S102-E105 VanDerWaalsContact O-N 3.16Å; Q103-E105 VanDerWaalsContact C-N 3.31Å; Q103-E105 PolarHBondContact O-N 2.73Å; E105-L107 PolarHBondContact O-N 3.33Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 IonicContact OE2-CZ 3.98Å; E105-R108 IonicContact OE2-NH1 3.79Å; E105-R108 PolarHBondContact OE2-NH1 2.78Å; E105-R109 PolarHBondContact O-N 3Å |
| 106 | I | 90.1 | Very high | 88 | Confident | 40 Ų | 40 | 83.8 Ų | 83.8 | 21% | 0.205 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 172.2 | -63.1 | 166.3 | 0 | 0 | 0 | 109.9 | E97 S102 Q103 R108 R109 I110 | E97-I106 HydrophobicContact CB-CD1 4.49Å; S102-I106 WeakPolarHBondContact O-CG1 3.26Å; S102-I106 PolarHBondContact O-N 2.58Å; S102-I106 VanDerWaalsContact O-N 3.12Å; Q103-I106 PolarHBondContact O-N 3.3Å; I106-R108 VanDerWaalsContact C-N 3.31Å; I106-R108 PolarHBondContact O-N 2.88Å; I106-R109 WeakPolarHBondContact O-CB 3.21Å; I106-R109 PolarHBondContact O-N 3.48Å; I106-R109 VanDerWaalsContact O-N 3.17Å; I106-I110 HydrophobicContact CG2-CD1 3.99Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 3.32Å; I106-I110 VanDerWaalsContact O-N 3.08Å |
| 107 | L | 91.6 | Very high | 88 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.016 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 178.8 | -68.3 | 172.1 | 0 | 0 | 0 | 112.4 | L86 L94 Q103 Q104 E105 I110 A111 I125 F127 L134 | L86-L107 HydrophobicContact CD2-CD2 4.5Å; L94-L107 HydrophobicContact CD1-CD1 4.47Å; L94-L107 HydrophobicContact CD1-CD2 4.44Å; L94-L107 HydrophobicContact CD1-CG 4.18Å; L94-L107 HydrophobicContact CD2-CD2 4.47Å; Q103-L107 WeakPolarHBondContact O-CG 3.4Å; Q103-L107 PolarHBondContact O-N 3.38Å; Q104-L107 PolarHBondContact O-N 2.9Å; E105-L107 PolarHBondContact O-N 3.33Å; L107-I110 PolarHBondContact O-N 2.98Å; L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.14Å; L107-A111 PolarHBondContact O-N 3.16Å; L107-I125 HydrophobicContact CB-CB 4.07Å; L107-I125 HydrophobicContact CB-CG1 4.27Å; L107-I125 HydrophobicContact CB-CG2 4.17Å; L107-F127 HydrophobicContact CD1-CB 3.9Å; L107-F127 HydrophobicContact CD1-CD1 4.42Å; L107-F127 HydrophobicContact CD1-CG 4.08Å; L107-F127 HydrophobicContact CD2-CB 4.49Å; L107-F127 HydrophobicContact CD2-CD2 3.88Å; L107-F127 HydrophobicContact CD2-CE2 4.35Å; L107-F127 HydrophobicContact CD2-CG 4.15Å; L107-L134 HydrophobicContact CD2-CD1 3.93Å; L107-L134 HydrophobicContact CD2-CG 4.38Å |
| 108 | R | 90.9 | Very high | 88 | Confident | 101 Ų | 101 | 76.6 Ų | 76.6 | 38% | 0.381 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 175 | -78.1 | -178.6 | -159.9 | 116.3 | 2.7 | 111.5 | Q104 E105 I106 A111 K112 I125 | Q104-R108 WeakPolarHBondContact O-CB 3.42Å; Q104-R108 VanDerWaalsContact O-CG 3.27Å; Q104-R108 WeakPolarHBondContact O-CG 3.21Å; Q104-R108 PolarHBondContact O-N 3.23Å; E105-R108 PolarHBondContact O-N 3.46Å; E105-R108 IonicContact OE2-CZ 3.98Å; E105-R108 IonicContact OE2-NH1 3.79Å; E105-R108 PolarHBondContact OE2-NH1 2.78Å; I106-R108 VanDerWaalsContact C-N 3.31Å; I106-R108 PolarHBondContact O-N 2.88Å; R108-A111 PolarHBondContact O-N 3.39Å; R108-K112 WeakPolarHBondContact O-CG 3.38Å; R108-K112 PolarHBondContact O-N 3Å; R108-I125 HydrophobicContact CB-CG1 4.37Å; R108-I125 HydrophobicContact CG-CD1 4.1Å; R108-I125 HydrophobicContact CG-CG1 3.67Å |
| 109 | R | 90.7 | Very high | 88.5 | Confident | 194 Ų | 194 | 71.3 Ų | 71.3 | 73% | 0.732 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.5 | -47 | 177.3 | -174.6 | 179.9 | 178.3 | -179.2 | -0.1 | 111.2 | E105 I106 A111 K112 | E105-R109 PolarHBondContact O-N 3Å; I106-R109 WeakPolarHBondContact O-CB 3.21Å; I106-R109 PolarHBondContact O-N 3.48Å; I106-R109 VanDerWaalsContact O-N 3.17Å; R109-A111 VanDerWaalsContact C-N 3.35Å; R109-K112 PolarHBondContact O-N 3.29Å |
| 110 | I | 89.2 | Confident | 88.7 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 19% | 0.185 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 178 | -60.7 | 168 | 0 | 0 | 0 | 110.9 | L86 D90 I106 L107 K112 L134 | L86-I110 HydrophobicContact CD2-CD1 3.54Å; D90-I110 HydrophobicContact CB-CD1 3.79Å; I106-I110 HydrophobicContact CG2-CD1 3.99Å; I106-I110 WeakPolarHBondContact O-CG1 3.46Å; I106-I110 PolarHBondContact O-N 3.32Å; I106-I110 VanDerWaalsContact O-N 3.08Å; L107-I110 PolarHBondContact O-N 2.98Å; I110-K112 PolarHBondContact O-N 3.47Å; I110-L134 HydrophobicContact CB-CD2 4.29Å; I110-L134 HydrophobicContact CG2-CD1 4.12Å; I110-L134 HydrophobicContact CG2-CD2 4.03Å |
| 111 | A | 90.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 3% | 0.033 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68 | -18.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L107 R108 R109 D113 L114 I125 L134 | L107-A111 VanDerWaalsContact O-CB 3.23Å; L107-A111 WeakPolarHBondContact O-CB 3.14Å; L107-A111 PolarHBondContact O-N 3.16Å; R108-A111 PolarHBondContact O-N 3.39Å; R109-A111 VanDerWaalsContact C-N 3.35Å; A111-D113 PolarHBondContact O-N 3.46Å; A111-L114 PolarHBondContact O-N 3.29Å; A111-I125 HydrophobicContact CB-CD1 3.69Å; A111-I125 HydrophobicContact CB-CG1 4.32Å; A111-I125 HydrophobicContact CB-CG2 4.36Å; A111-L134 HydrophobicContact CB-CD2 3.73Å |
| 112 | K | 88.5 | Confident | 88.8 | Confident | 163 Ų | 163 | 66.7 Ų | 66.7 | 71% | 0.709 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -33.3 | 179.9 | -79.4 | 178.9 | -179.4 | -177 | 0 | 112.4 | R108 R109 I110 L114 | R108-K112 WeakPolarHBondContact O-CG 3.38Å; R108-K112 PolarHBondContact O-N 3Å; R109-K112 PolarHBondContact O-N 3.29Å; I110-K112 PolarHBondContact O-N 3.47Å; K112-L114 VanDerWaalsContact C-N 3.29Å |
| 113 | D | 87.1 | Confident | 88.8 | Confident | 148 Ų | 148 | 67.1 Ų | 67.1 | 79% | 0.791 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 5.6 | -177.9 | -57.4 | -39.3 | 0 | 0 | 0 | 112.6 | A111 | A111-D113 PolarHBondContact O-N 3.46Š|
| 114 | L | 89.9 | Confident | 88.9 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -117.5 | 147.9 | -177 | -63.9 | 175.6 | 0 | 0 | 0 | 111.7 | E83 F84 A111 K112 I116 L134 | E83-L114 HydrophobicContact CB-CD2 4.06Å; E83-L114 HydrophobicContact CG-CD2 3.96Å; F84-L114 HydrophobicContact CD1-CD1 4.02Å; F84-L114 HydrophobicContact CE1-CB 4.33Å; F84-L114 HydrophobicContact CE1-CD1 4.36Å; A111-L114 PolarHBondContact O-N 3.29Å; K112-L114 VanDerWaalsContact C-N 3.29Å; L114-I116 HydrophobicContact CB-CD1 3.95Å; L114-I116 HydrophobicContact CB-CG1 3.97Å; L114-I116 HydrophobicContact CD1-CD1 4.05Å; L114-I116 PolarHBondContact O-N 3.25Å; L114-L134 HydrophobicContact CD1-CB 4.41Å; L114-L134 HydrophobicContact CD1-CD2 4.07Å |
| 115 | P | 89.8 | Confident | 88.9 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | trans | -77.5 | 64.2 | 179.1 | 33.4 | -36.3 | 0 | 0 | 0 | 111.7 | F84 Y117 | F84-P115 HydrophobicContact CZ-CG 4.1Å; P115-Y117 HydrophobicContact CB-CE2 4.38Å | ||
| 116 | I | 89.2 | Confident | 89 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | trans | -114.8 | 106.2 | -178.6 | -55.3 | 175 | 0 | 0 | 0 | 110.4 | F84 L114 R119 L134 | F84-I116 HydrophobicContact CD1-CD1 4.08Å; F84-I116 HydrophobicContact CD1-CG1 4.45Å; F84-I116 HydrophobicContact CE1-CD1 3.86Å; F84-I116 HydrophobicContact CE1-CG1 3.73Å; L114-I116 HydrophobicContact CB-CD1 3.95Å; L114-I116 HydrophobicContact CB-CG1 3.97Å; L114-I116 HydrophobicContact CD1-CD1 4.05Å; L114-I116 PolarHBondContact O-N 3.25Å; I116-R119 PolarHBondContact O-NH1 2.84Å; I116-L134 HydrophobicContact CD1-CB 4.13Å; I116-L134 HydrophobicContact CD1-CD2 4.35Å | ||
| 117 | Y | 87.8 | Confident | 89.1 | Confident | 78 Ų | 78 | 59 Ų | 59 | 31% | 0.306 | 30% | 0.298 | S | S | . | . | trans | -96.2 | -17.8 | -178.8 | -52.4 | -78.3 | 0 | 0 | 0 | 112.9 | P115 D137 T296 | P115-Y117 HydrophobicContact CB-CE2 4.38Å; Y117-D137 WeakPolarHBondContact CB-OD2 3.47Å; Y117-D137 VanDerWaalsContact CD2-OD2 3.25Å; Y117-D137 WeakPolarHBondContact CD2-OD2 3.23Å; Y117-D137 PolarHBondContact N-OD1 3.5Å; Y117-D137 PolarHBondContact N-OD2 3.26Å; Y117-T296 HydrophobicContact CD2-CG2 4.4Å | ||
| 118 | T | 88.8 | Confident | 89.2 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | trans | -99.6 | 152.7 | -177.1 | 68.2 | 0 | 0 | 0 | 0 | 113.8 | R126 D137 P250 V251 F252 F261 | T118-R126 WeakPolarHBondContact OG1-CD 3.28Å; T118-R126 PolarHBondContact OG1-NH1 2.85Å; T118-R126 VanDerWaalsContact OG1-NH1 3.09Å; T118-D137 VanDerWaalsContact CB-OD1 3.28Å; T118-D137 WeakPolarHBondContact CB-OD1 3.14Å; T118-D137 HydrophobicContact CG2-CB 4.41Å; T118-D137 WeakPolarHBondContact CG2-OD1 3.49Å; T118-D137 PolarHBondContact N-OD1 3.5Å; T118-D137 PolarHBondContact OG1-OD1 3.48Å; T118-P250 HydrophobicContact CG2-CB 3.8Å; T118-V251 CarbonylContact C-O 3.49Å; T118-V251 VanDerWaalsContact CA-O 3.29Å; T118-V251 WeakPolarHBondContact CA-O 3.19Å; T118-F252 HydrophobicContact CG2-CD1 4.34Å; T118-F252 HydrophobicContact CG2-CE1 4.03Å; T118-F252 HydrophobicContact CG2-CZ 4.24Å; T118-F261 HydrophobicContact CG2-CE2 4.13Å; T118-F261 HydrophobicContact CG2-CZ 3.75Å | ||
| 119 | R | 89.6 | Confident | 89.2 | Confident | 45 Ų | 45 | 59.9 Ų | 59.9 | 17% | 0.17 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -129.2 | 173.6 | 178.2 | -60.7 | -62.6 | 179.2 | -93.3 | 6.4 | 110.7 | I116 I125 V251 | I116-R119 PolarHBondContact O-NH1 2.84Å; R119-I125 VanDerWaalsContact NE-CD1 3.31Å; R119-V251 PolarHBondContact N-O 3.31Å |
| 120 | T | 87.5 | Confident | 89.1 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | trans | -73.2 | 169.4 | 167.4 | 69.5 | 0 | 0 | 0 | 0 | 110.6 | S122 G123 A124 R126 | T120-S122 PolarHBondContact O-N 3.39Å; T120-S122 VanDerWaalsContact O-N 3.13Å; T120-S122 PolarHBondContact OG1-N 3.43Å; T120-S122 PolarHBondContact OG1-OG 2.91Å; T120-G123 PolarHBondContact O-N 2.84Å; T120-A124 HydrophobicContact CG2-CB 4.38Å; T120-A124 PolarHBondContact N-O 2.96Å; T120-A124 WeakPolarHBondContact OG1-CB 3.47Å; T120-A124 PolarHBondContact OG1-N 3.39Å; T120-A124 VanDerWaalsContact OG1-N 3.13Å; T120-A124 PolarHBondContact OG1-O 3.45Å; T120-R126 HydrophobicContact CG2-CG 3.92Å | ||
| 121 | N | 84.2 | Confident | 89.2 | Confident | 136 Ų | 136 | 58.9 Ų | 58.9 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.8 | 174.7 | -63.5 | -1.7 | 0 | 0 | 0 | 113.4 | G123 V251 | N121-G123 VanDerWaalsContact C-N 3.31Å; N121-V251 WeakPolarHBondContact OD1-CG2 3.48Å |
| 122 | S | 85.7 | Confident | 89.4 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 73% | 0.734 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.4 | 174.9 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | T120 A124 | T120-S122 PolarHBondContact O-N 3.39Å; T120-S122 VanDerWaalsContact O-N 3.13Å; T120-S122 PolarHBondContact OG1-N 3.43Å; T120-S122 PolarHBondContact OG1-OG 2.91Å; S122-A124 PolarHBondContact O-N 2.94Å |
| 123 | G | 85.3 | Confident | 89.6 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 41% | 0.412 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 80.6 | -4.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | T120 N121 | T120-G123 PolarHBondContact O-N 2.84Å; N121-G123 VanDerWaalsContact C-N 3.31Å |
| 124 | A | 89.1 | Confident | 89.9 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | trans | -66.8 | 156.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q104 T120 S122 | Q104-A124 HydrophobicContact CG-CB 4.38Å; T120-A124 HydrophobicContact CG2-CB 4.38Å; T120-A124 PolarHBondContact N-O 2.96Å; T120-A124 WeakPolarHBondContact OG1-CB 3.47Å; T120-A124 PolarHBondContact OG1-N 3.39Å; T120-A124 VanDerWaalsContact OG1-N 3.13Å; T120-A124 PolarHBondContact OG1-O 3.45Å; S122-A124 PolarHBondContact O-N 2.94Å | ||
| 125 | I | 91.8 | Very high | 90.1 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -66.3 | 136.6 | 173.4 | -62.6 | -64.4 | 0 | 0 | 0 | 109.6 | L107 R108 A111 R119 F127 L134 | L107-I125 HydrophobicContact CB-CB 4.07Å; L107-I125 HydrophobicContact CB-CG1 4.27Å; L107-I125 HydrophobicContact CB-CG2 4.17Å; R108-I125 HydrophobicContact CB-CG1 4.37Å; R108-I125 HydrophobicContact CG-CD1 4.1Å; R108-I125 HydrophobicContact CG-CG1 3.67Å; A111-I125 HydrophobicContact CB-CD1 3.69Å; A111-I125 HydrophobicContact CB-CG1 4.32Å; A111-I125 HydrophobicContact CB-CG2 4.36Å; R119-I125 VanDerWaalsContact NE-CD1 3.31Å; I125-F127 PolarHBondContact O-N 3.12Å; I125-F127 VanDerWaalsContact O-N 3.08Å; I125-L134 HydrophobicContact CG2-CD2 4.08Å; I125-L134 HydrophobicContact CG2-CG 4.28Å | ||
| 126 | R | 91.9 | Very high | 90.3 | Very high | 28 Ų | 28 | 46 Ų | 46 | 11% | 0.106 | 24% | 0.242 | C | C | . | . | trans | -77 | 98.6 | -179.6 | -63.5 | 170.8 | 66.9 | -124.7 | -9.4 | 109 | T118 T120 K135 P136 C139 H140 | T118-R126 WeakPolarHBondContact OG1-CD 3.28Å; T118-R126 PolarHBondContact OG1-NH1 2.85Å; T118-R126 VanDerWaalsContact OG1-NH1 3.09Å; T120-R126 HydrophobicContact CG2-CG 3.92Å; R126-K135 HydrophobicContact CB-CB 4.09Å; R126-K135 HydrophobicContact CB-CD 4.35Å; R126-K135 WeakPolarHBondContact O-CB 3.15Å; R126-K135 PolarHBondContact O-N 2.85Å; R126-P136 PolarHBondContact NH1-O 3.41Å; R126-C139 PolarHBondContact NH2-O 3.35Å; R126-H140 PolarHBondContact NH2-CE1 2.87Å | ||
| 127 | F | 92.9 | Very high | 90.4 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 156.6 | -179.8 | 179.1 | -115.7 | 0 | 0 | 0 | 112.5 | L86 L94 L107 I125 D129 L133 L134 K135 | L86-F127 HydrophobicContact CD1-CD2 4.45Å; L86-F127 HydrophobicContact CD1-CE2 3.36Å; L86-F127 HydrophobicContact CD1-CZ 3.64Å; L86-F127 HydrophobicContact CG-CE2 4.18Å; L94-F127 HydrophobicContact CD2-CE1 3.84Å; L94-F127 HydrophobicContact CD2-CZ 3.78Å; L107-F127 HydrophobicContact CD1-CB 3.9Å; L107-F127 HydrophobicContact CD1-CD1 4.42Å; L107-F127 HydrophobicContact CD1-CG 4.08Å; L107-F127 HydrophobicContact CD2-CB 4.49Å; L107-F127 HydrophobicContact CD2-CD2 3.88Å; L107-F127 HydrophobicContact CD2-CE2 4.35Å; L107-F127 HydrophobicContact CD2-CG 4.15Å; I125-F127 PolarHBondContact O-N 3.12Å; I125-F127 VanDerWaalsContact O-N 3.08Å; F127-D129 WeakPolarHBondContact CD1-OD1 3.02Å; F127-D129 HydrophobicContact CE1-CB 4.32Å; F127-D129 WeakPolarHBondContact CE1-OD1 3.29Å; F127-L133 WeakPolarHBondContact CD2-O 3.46Å; F127-L134 HydrophobicContact CD2-CD1 4.4Å; F127-K135 WeakPolarHBondContact O-CE 3.41Å; F127-K135 PolarHBondContact O-NZ 2.87Å |
| 128 | C | 93.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 102.3 | 174.8 | -164.7 | 0 | 0 | 0 | 0 | 111.8 | R130 C131 Q132 L133 K135 | C128-R130 VanDerWaalsContact C-N 3.3Å; C128-R130 PolarHBondContact O-N 3.36Å; C128-C131 HydrophobicContact CB-CB 4.21Å; C128-C131 PolarHBondContact O-N 3.25Å; C128-Q132 WeakPolarHBondContact O-CA 3.47Å; C128-Q132 PolarHBondContact O-N 2.99Å; C128-L133 HydrophobicContact CB-CD1 4.41Å; C128-L133 HydrophobicContact CB-CG 4.34Å; C128-L133 PolarHBondContact N-O 3.26Å; C128-K135 HydrophobicContact CB-CD 4.43Å; C128-K135 HydrophobicContact CB-CG 4.11Å |
| 129 | D | 90.3 | Very high | 90.8 | Very high | 118 Ų | 118 | 42 Ų | 42 | 63% | 0.631 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -35.1 | -178 | -42.8 | -56.5 | 0 | 0 | 0 | 112.9 | F127 Q132 | F127-D129 WeakPolarHBondContact CD1-OD1 3.02Å; F127-D129 HydrophobicContact CE1-CB 4.32Å; F127-D129 WeakPolarHBondContact CE1-OD1 3.29Å; D129-Q132 PolarHBondContact O-NE2 3.12Å |
| 130 | R | 90.1 | Very high | 90.9 | Very high | 171 Ų | 171 | 41 Ų | 41 | 65% | 0.645 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -34.8 | 179.6 | -64.6 | -176.9 | -174.7 | -169.7 | 1.2 | 113.6 | C128 H141 | C128-R130 VanDerWaalsContact C-N 3.3Å; C128-R130 PolarHBondContact O-N 3.36Å; R130-H141 WeakPolarHBondContact CD-NE2 3.12Å |
| 131 | C | 91.7 | Very high | 91.2 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -7.9 | -175.6 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | C128 L133 H141 | C128-C131 HydrophobicContact CB-CB 4.21Å; C128-C131 PolarHBondContact O-N 3.25Å; C131-L133 VanDerWaalsContact C-N 3.32Å; C131-L133 HydrophobicContact CB-CD2 3.59Å; C131-L133 HydrophobicContact CB-CG 3.86Å; C131-L133 PolarHBondContact O-N 3.36Å; C131-H141 PolarHBondContact SG-ND1 3.43Å |
| 132 | Q | 92.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 34.3 Ų | 34.3 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 50.5 | -178 | -64.6 | -69 | -40.5 | 0 | 0 | 112.3 | L86 K91 C128 D129 | L86-Q132 PolarHBondContact N-O 3.15Å; L86-Q132 VanDerWaalsContact N-O 3.14Å; K91-Q132 HydrophobicContact CD-CB 4.3Å; C128-Q132 WeakPolarHBondContact O-CA 3.47Å; C128-Q132 PolarHBondContact O-N 2.99Å; D129-Q132 PolarHBondContact O-NE2 3.12Å |
| 133 | L | 93.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 148.4 | -179.2 | 69.4 | 85.2 | 0 | 0 | 0 | 111.8 | P80 F84 Q85 F127 C128 C131 K135 C148 | P80-L133 HydrophobicContact CG-CD1 4.4Å; P80-L133 HydrophobicContact CG-CD2 4.09Å; F84-L133 CarbonylContact O-C 3.45Å; F84-L133 VanDerWaalsContact O-CA 3.29Å; F84-L133 WeakPolarHBondContact O-CA 3.23Å; F84-L133 VanDerWaalsContact O-CB 3.3Å; F84-L133 WeakPolarHBondContact O-CB 3.38Å; Q85-L133 HydrophobicContact CG-CB 4.41Å; F127-L133 WeakPolarHBondContact CD2-O 3.46Å; C128-L133 HydrophobicContact CB-CD1 4.41Å; C128-L133 HydrophobicContact CB-CG 4.34Å; C128-L133 PolarHBondContact N-O 3.26Å; C131-L133 VanDerWaalsContact C-N 3.32Å; C131-L133 HydrophobicContact CB-CD2 3.59Å; C131-L133 HydrophobicContact CB-CG 3.86Å; C131-L133 PolarHBondContact O-N 3.36Å; L133-K135 HydrophobicContact CD1-CG 4.33Å; L133-C148 HydrophobicContact CD1-CB 4.31Å; L133-C148 HydrophobicContact CD2-CB 4.1Å |
| 134 | L | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 124.9 | 167.6 | -79.3 | 74 | 0 | 0 | 0 | 107.9 | F84 L86 L107 I110 A111 L114 I116 I125 F127 P136 | F84-L134 WeakPolarHBondContact CB-O 3.49Å; F84-L134 WeakPolarHBondContact CD1-O 3.36Å; F84-L134 PolarHBondContact O-N 2.95Å; L86-L134 HydrophobicContact CD2-CD1 3.62Å; L86-L134 HydrophobicContact CG-CD1 4.08Å; L107-L134 HydrophobicContact CD2-CD1 3.93Å; L107-L134 HydrophobicContact CD2-CG 4.38Å; I110-L134 HydrophobicContact CB-CD2 4.29Å; I110-L134 HydrophobicContact CG2-CD1 4.12Å; I110-L134 HydrophobicContact CG2-CD2 4.03Å; A111-L134 HydrophobicContact CB-CD2 3.73Å; L114-L134 HydrophobicContact CD1-CB 4.41Å; L114-L134 HydrophobicContact CD1-CD2 4.07Å; I116-L134 HydrophobicContact CD1-CB 4.13Å; I116-L134 HydrophobicContact CD1-CD2 4.35Å; I125-L134 HydrophobicContact CG2-CD2 4.08Å; I125-L134 HydrophobicContact CG2-CG 4.28Å; F127-L134 HydrophobicContact CD2-CD1 4.4Å; L134-P136 VanDerWaalsContact O-CD 3.23Å; L134-P136 WeakPolarHBondContact O-CD 3.37Å |
| 135 | K | 93.8 | Very high | 92 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 121.1 | -175.8 | -67.1 | 169.1 | 176 | 153 | 0 | 108.8 | R126 F127 C128 L133 C139 | R126-K135 HydrophobicContact CB-CB 4.09Å; R126-K135 HydrophobicContact CB-CD 4.35Å; R126-K135 WeakPolarHBondContact O-CB 3.15Å; R126-K135 PolarHBondContact O-N 2.85Å; F127-K135 WeakPolarHBondContact O-CE 3.41Å; F127-K135 PolarHBondContact O-NZ 2.87Å; C128-K135 HydrophobicContact CB-CD 4.43Å; C128-K135 HydrophobicContact CB-CG 4.11Å; L133-K135 HydrophobicContact CD1-CG 4.33Å; K135-C139 HydrophobicContact CB-CB 4.43Å |
| 136 | P | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -55.6 | 165 | 167.4 | -20 | 28.3 | 0 | 0 | 0 | 111.7 | P80 F84 R126 L134 R138 C139 L150 C292 | P80-P136 HydrophobicContact CB-CG 4.11Å; F84-P136 HydrophobicContact CB-CG 4.48Å; F84-P136 HydrophobicContact CD1-CB 4.19Å; F84-P136 HydrophobicContact CD1-CG 3.61Å; F84-P136 HydrophobicContact CD2-CG 4.12Å; F84-P136 HydrophobicContact CE1-CB 3.82Å; F84-P136 HydrophobicContact CE1-CG 3.74Å; F84-P136 HydrophobicContact CE2-CG 4.25Å; F84-P136 HydrophobicContact CG-CG 3.81Å; F84-P136 HydrophobicContact CZ-CB 4.09Å; F84-P136 HydrophobicContact CZ-CG 4.07Å; R126-P136 PolarHBondContact NH1-O 3.41Å; L134-P136 VanDerWaalsContact O-CD 3.23Å; L134-P136 WeakPolarHBondContact O-CD 3.37Å; P136-R138 PolarHBondContact O-N 2.8Å; P136-C139 HydrophobicContact CB-CB 4.1Å; P136-C139 HydrophobicContact CG-CB 4.19Å; P136-C139 WeakPolarHBondContact O-CB 3.45Å; P136-C139 PolarHBondContact O-N 3.44Å; P136-C139 VanDerWaalsContact O-N 3.08Å; P136-L150 HydrophobicContact CB-CD2 4.33Å; P136-L150 HydrophobicContact CG-CD2 3.89Å; P136-C292 HydrophobicContact CB-CB 4.25Å; P136-C292 WeakPolarHBondContact CB-O 3.27Å; P136-C292 HydrophobicContact CG-CB 4.38Å |
| 137 | D | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 138.3 | 175.4 | -73.7 | -22.3 | 0 | 0 | 0 | 110.4 | Y117 T118 C139 F261 F294 | Y117-D137 WeakPolarHBondContact CB-OD2 3.47Å; Y117-D137 VanDerWaalsContact CD2-OD2 3.25Å; Y117-D137 WeakPolarHBondContact CD2-OD2 3.23Å; Y117-D137 PolarHBondContact N-OD1 3.5Å; Y117-D137 PolarHBondContact N-OD2 3.26Å; T118-D137 VanDerWaalsContact CB-OD1 3.28Å; T118-D137 WeakPolarHBondContact CB-OD1 3.14Å; T118-D137 HydrophobicContact CG2-CB 4.41Å; T118-D137 WeakPolarHBondContact CG2-OD1 3.49Å; T118-D137 PolarHBondContact N-OD1 3.5Å; T118-D137 PolarHBondContact OG1-OD1 3.48Å; D137-C139 PolarHBondContact O-N 3.32Å; D137-F261 HydrophobicContact CB-CE1 4.42Å; D137-F261 HydrophobicContact CB-CZ 4.04Å; D137-F294 HydrophobicContact CB-CD2 4.4Å; D137-F294 VanDerWaalsContact O-CE2 3.3Å; D137-F294 WeakPolarHBondContact O-CE2 3.44Å |
| 138 | R | 91.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 5.1 | -176.8 | -43.8 | 178.7 | 67.6 | 164.2 | 4.6 | 115.6 | P136 H140 K151 M152 N238 F261 F294 | P136-R138 PolarHBondContact O-N 2.8Å; R138-H140 PolarHBondContact O-CD2 2.9Å; R138-K151 HydrophobicContact CB-CG 4.48Å; R138-K151 VanDerWaalsContact O-CA 3.28Å; R138-K151 WeakPolarHBondContact O-CA 3.02Å; R138-K151 PolarHBondContact O-N 3.44Å; R138-M152 PolarHBondContact O-N 3.32Å; R138-N238 PolarHBondContact NH1-O 3.06Å; R138-N238 PolarHBondContact NH1-OD1 3.25Å; R138-N238 PolarHBondContact NH2-O 3.29Å; R138-F261 HydrophobicContact CG-CD2 4.17Å; R138-F261 HydrophobicContact CG-CE2 3.72Å; R138-F261 HydrophobicContact CG-CZ 3.93Å; R138-F294 HydrophobicContact CB-CE2 4.18Å; R138-F294 HydrophobicContact CG-CD2 4.15Å; R138-F294 HydrophobicContact CG-CE2 4.33Å |
| 139 | C | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -79.5 | 136.7 | 172.3 | 176.9 | 0 | 0 | 0 | 0 | 111 | R126 K135 P136 D137 I149 L150 | R126-C139 PolarHBondContact NH2-O 3.35Å; K135-C139 HydrophobicContact CB-CB 4.43Å; P136-C139 HydrophobicContact CB-CB 4.1Å; P136-C139 HydrophobicContact CG-CB 4.19Å; P136-C139 WeakPolarHBondContact O-CB 3.45Å; P136-C139 PolarHBondContact O-N 3.44Å; P136-C139 VanDerWaalsContact O-N 3.08Å; D137-C139 PolarHBondContact O-N 3.32Å; C139-I149 WeakPolarHBondContact CA-O 3.48Å; C139-L150 HydrophobicContact CB-CD2 4.27Å | ||
| 140 | H | 92.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 10% | 0.102 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.7 | 174.1 | -60.9 | -86.4 | 0 | 0 | 0 | 111.3 | R126 R138 I149 M152 L242 | R126-H140 PolarHBondContact NH2-CE1 2.87Å; R138-H140 PolarHBondContact O-CD2 2.9Å; H140-I149 PolarHBondContact N-O 2.89Å; H140-I149 VanDerWaalsContact N-O 3.1Å; H140-I149 PolarHBondContact O-N 3.37Å; H140-M152 HydrophobicContact CB-CB 3.91Å; H140-M152 HydrophobicContact CB-CG 4.37Å; H140-M152 HydrophobicContact CB-SD 3.68Å; H140-L242 HydrophobicContact CB-CD1 4.24Å |
| 141 | H | 92.9 | Very high | 92.6 | Very high | 35 Ų | 35 | 27 Ų | 27 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 125.5 | 174 | -176.4 | 94.7 | 0 | 0 | 0 | 109.5 | R130 C131 D146 | R130-H141 WeakPolarHBondContact CD-NE2 3.12Å; C131-H141 PolarHBondContact SG-ND1 3.43Å; H141-D146 IonicContact CE1-OD1 2.96Å; H141-D146 IonicContact NE2-OD1 3.72Å |
| 142 | C | 92.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 5% | 0.047 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.7 | 170.5 | 178.4 | 0 | 0 | 0 | 0 | 109 | V144 C145 D146 K147 I149 M152 C162 | C142-V144 VanDerWaalsContact C-N 3.29Å; C142-V144 PolarHBondContact O-N 3.14Å; C142-V144 PolarHBondContact SG-N 2.93Å; C142-C145 HydrophobicContact CB-CB 3.94Å; C142-C145 PolarHBondContact SG-N 3.07Å; C142-C145 VanDerWaalsContact SG-N 3.42Å; C142-D146 VanDerWaalsContact O-CA 3.3Å; C142-D146 WeakPolarHBondContact O-CA 3.48Å; C142-D146 PolarHBondContact O-N 3.07Å; C142-K147 PolarHBondContact N-O 2.99Å; C142-K147 PolarHBondContact O-N 3.45Å; C142-I149 HydrophobicContact CB-CG1 4.04Å; C142-M152 HydrophobicContact CB-CE 3.74Å; C142-M152 HydrophobicContact CB-SD 4.06Å; C142-C162 WeakPolarHBondContact CB-SG 3.37Å; C142-C162 PolarHBondContact SG-SG 2.82Å |
| 143 | S | 90.2 | Very high | 92.7 | Very high | 82 Ų | 82 | 23.7 Ų | 23.7 | 57% | 0.573 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -27 | 178.3 | 50.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 144 | V | 89.3 | Confident | 92.7 | Very high | 62 Ų | 62 | 25.3 Ų | 25.3 | 38% | 0.376 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -46.2 | 177.4 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | Y18 C142 D146 H155 | Y18-V144 HydrophobicContact CE1-CG1 4.4Å; Y18-V144 HydrophobicContact CE2-CG1 4.39Å; C142-V144 VanDerWaalsContact C-N 3.29Å; C142-V144 PolarHBondContact O-N 3.14Å; C142-V144 PolarHBondContact SG-N 2.93Å; V144-D146 PolarHBondContact O-N 3.11Å; V144-H155 VanDerWaalsContact CG1-CE1 3.47Å; V144-H155 WeakPolarHBondContact CG1-CE1 3.47Å; V144-H155 WeakPolarHBondContact CG1-NE2 3.29Å |
| 145 | C | 89.9 | Confident | 92.6 | Very high | 35 Ų | 35 | 27.4 Ų | 27.4 | 24% | 0.236 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -11.7 | 175.2 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | C142 K147 I149 H155 C162 | C142-C145 HydrophobicContact CB-CB 3.94Å; C142-C145 PolarHBondContact SG-N 3.07Å; C142-C145 VanDerWaalsContact SG-N 3.42Å; C145-K147 HydrophobicContact CB-CG 4.01Å; C145-K147 PolarHBondContact O-N 3.2Å; C145-I149 HydrophobicContact CB-CD1 4.29Å; C145-H155 PolarHBondContact SG-ND1 3.17Å; C145-C162 HydrophobicContact CB-CB 4.47Å; C145-C162 WeakPolarHBondContact CB-SG 3.48Å; C145-C162 WeakPolarHBondContact SG-CB 3.32Å; C145-C162 CovalentContact SG-SG 2.08Å; C145-C162 PolarHBondContact SG-SG 2.81Å |
| 146 | D | 91.6 | Very high | 92.7 | Very high | 101 Ų | 101 | 25.5 Ų | 25.5 | 54% | 0.54 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 40.3 | -174.3 | -158.9 | 29.9 | 0 | 0 | 0 | 113.9 | H141 C142 V144 | H141-D146 IonicContact CE1-OD1 2.96Å; H141-D146 IonicContact NE2-OD1 3.72Å; C142-D146 VanDerWaalsContact O-CA 3.3Å; C142-D146 WeakPolarHBondContact O-CA 3.48Å; C142-D146 PolarHBondContact O-N 3.07Å; V144-D146 PolarHBondContact O-N 3.11Å |
| 147 | K | 92.4 | Very high | 92.7 | Very high | 50 Ų | 50 | 28.8 Ų | 28.8 | 22% | 0.217 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 159.4 | -178.7 | 68.6 | 178.9 | -178.1 | 164.1 | 0 | 112.7 | P77 C142 C145 I149 | P77-K147 VanDerWaalsContact CD-NZ 3.34Å; P77-K147 PolarHBondContact O-NZ 2.86Å; C142-K147 PolarHBondContact N-O 2.99Å; C142-K147 PolarHBondContact O-N 3.45Å; C145-K147 HydrophobicContact CB-CG 4.01Å; C145-K147 PolarHBondContact O-N 3.2Å; K147-I149 HydrophobicContact CD-CD1 4.06Å; K147-I149 VanDerWaalsContact CE-CD1 3.48Å; K147-I149 HydrophobicContact CG-CD1 3.61Å |
| 148 | C | 94.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.02 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.4 | 168.9 | -79.4 | 0 | 0 | 0 | 0 | 111 | P80 L133 | P80-C148 HydrophobicContact CG-CB 4.06Å; L133-C148 HydrophobicContact CD1-CB 4.31Å; L133-C148 HydrophobicContact CD2-CB 4.1Å |
| 149 | I | 95 | Very high | 93 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 119.9 | -178.2 | -51.7 | -65.3 | 0 | 0 | 0 | 108.3 | P77 C139 H140 C142 C145 K147 M152 C162 | P77-I149 HydrophobicContact CB-CD1 3.47Å; P77-I149 VanDerWaalsContact CB-CD1 3.47Å; P77-I149 HydrophobicContact CB-CG2 4.21Å; P77-I149 HydrophobicContact CG-CD1 3.75Å; C139-I149 WeakPolarHBondContact CA-O 3.48Å; H140-I149 PolarHBondContact N-O 2.89Å; H140-I149 VanDerWaalsContact N-O 3.1Å; H140-I149 PolarHBondContact O-N 3.37Å; C142-I149 HydrophobicContact CB-CG1 4.04Å; C145-I149 HydrophobicContact CB-CD1 4.29Å; K147-I149 HydrophobicContact CD-CD1 4.06Å; K147-I149 VanDerWaalsContact CE-CD1 3.48Å; K147-I149 HydrophobicContact CG-CD1 3.61Å; I149-M152 HydrophobicContact CB-CB 3.88Å; I149-M152 HydrophobicContact CB-CG 3.95Å; I149-M152 HydrophobicContact CB-SD 4.26Å; I149-M152 HydrophobicContact CG1-CG 4.48Å; I149-M152 HydrophobicContact CG1-SD 4.33Å; I149-M152 HydrophobicContact CG2-CB 3.95Å; I149-M152 HydrophobicContact CG2-CG 4.04Å; I149-M152 PolarHBondContact O-N 3.18Å; I149-C162 HydrophobicContact CD1-CB 3.7Å; I149-C162 HydrophobicContact CG1-CB 3.91Å; I149-C162 HydrophobicContact CG2-CB 4.31Å |
| 150 | L | 94.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 137.6 | 174 | -63.7 | -177.6 | 0 | 0 | 0 | 110.8 | M78 P80 P136 C139 M152 F165 G291 | M78-L150 HydrophobicContact CB-CD1 4.16Å; M78-L150 HydrophobicContact CG-CD1 3.98Å; M78-L150 HydrophobicContact SD-CD1 4.2Å; P80-L150 HydrophobicContact CB-CD2 4.17Å; P80-L150 HydrophobicContact CG-CD2 3.9Å; P136-L150 HydrophobicContact CB-CD2 4.33Å; P136-L150 HydrophobicContact CG-CD2 3.89Å; C139-L150 HydrophobicContact CB-CD2 4.27Å; L150-M152 PolarHBondContact O-N 3.41Å; L150-M152 VanDerWaalsContact O-N 3.14Å; L150-F165 HydrophobicContact CB-CB 3.96Å; L150-F165 PolarHBondContact O-N 3.07Å; L150-G291 WeakPolarHBondContact CB-O 3.21Å; L150-G291 WeakPolarHBondContact CD2-O 3.43Å |
| 151 | K | 93.7 | Very high | 93.3 | Very high | 18 Ų | 18 | 36 Ų | 36 | 8% | 0.078 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.3 | 48.2 | -174.4 | -158.5 | -174.1 | 178.5 | -176.8 | 0 | 112.2 | R138 D153 G164 F165 F294 | R138-K151 HydrophobicContact CB-CG 4.48Å; R138-K151 VanDerWaalsContact O-CA 3.28Å; R138-K151 WeakPolarHBondContact O-CA 3.02Å; R138-K151 PolarHBondContact O-N 3.44Å; K151-D153 PolarHBondContact O-N 3.28Å; K151-G164 WeakPolarHBondContact O-CA 3.38Å; K151-F165 HydrophobicContact CB-CB 3.84Å; K151-F165 HydrophobicContact CB-CD2 4.41Å; K151-F165 HydrophobicContact CD-CD2 4.21Å; K151-F294 HydrophobicContact CB-CE1 4.34Å; K151-F294 HydrophobicContact CB-CZ 3.81Å; K151-F294 HydrophobicContact CD-CE1 3.9Å; K151-F294 HydrophobicContact CD-CZ 4.23Å; K151-F294 HydrophobicContact CG-CE1 4.26Å; K151-F294 HydrophobicContact CG-CZ 4.12Å |
| 152 | M | 93.3 | Very high | 93.4 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | trans | -58.6 | 127.9 | -175 | -171.5 | 178 | 168.2 | 0 | 0 | 110 | R138 H140 C142 I149 L150 L242 | R138-M152 PolarHBondContact O-N 3.32Å; H140-M152 HydrophobicContact CB-CB 3.91Å; H140-M152 HydrophobicContact CB-CG 4.37Å; H140-M152 HydrophobicContact CB-SD 3.68Å; C142-M152 HydrophobicContact CB-CE 3.74Å; C142-M152 HydrophobicContact CB-SD 4.06Å; I149-M152 HydrophobicContact CB-CB 3.88Å; I149-M152 HydrophobicContact CB-CG 3.95Å; I149-M152 HydrophobicContact CB-SD 4.26Å; I149-M152 HydrophobicContact CG1-CG 4.48Å; I149-M152 HydrophobicContact CG1-SD 4.33Å; I149-M152 HydrophobicContact CG2-CB 3.95Å; I149-M152 HydrophobicContact CG2-CG 4.04Å; I149-M152 PolarHBondContact O-N 3.18Å; L150-M152 PolarHBondContact O-N 3.41Å; L150-M152 VanDerWaalsContact O-N 3.14Å; M152-L242 HydrophobicContact CB-CD1 4.25Å; M152-L242 HydrophobicContact CG-CD1 4.22Å; M152-L242 HydrophobicContact SD-CD1 4.44Å | ||
| 153 | D | 93 | Very high | 93.6 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.011 | 18% | 0.181 | C | C | . | . | trans | -98.4 | -62.3 | 172 | -164 | 79.6 | 0 | 0 | 0 | 110.4 | K151 V163 Y168 H231 S240 T241 L242 | K151-D153 PolarHBondContact O-N 3.28Å; D153-V163 HydrophobicContact CB-CG1 4.27Å; D153-V163 PolarHBondContact N-O 2.86Å; D153-Y168 HydrophobicContact CB-CD2 4.3Å; D153-Y168 HydrophobicContact CB-CE2 4.21Å; D153-H231 IonicContact OD2-CE1 2.75Å; D153-H231 PolarHBondContact OD2-CE1 3.17Å; D153-S240 WeakPolarHBondContact OD1-CA 3.33Å; D153-S240 VanDerWaalsContact OD1-CB 3.29Å; D153-S240 WeakPolarHBondContact OD1-CB 3.31Å; D153-T241 VanDerWaalsContact CG-OG1 3.32Å; D153-T241 PolarHBondContact OD1-N 3.5Å; D153-T241 PolarHBondContact OD1-OG1 3.25Å; D153-T241 WeakPolarHBondContact OD2-CB 3.29Å; D153-T241 PolarHBondContact OD2-OG1 2.83Å; D153-L242 WeakPolarHBondContact O-CG 3.24Å | ||
| 154 | H | 93.3 | Very high | 93.8 | Very high | 42 Ų | 42 | 30.1 Ų | 30.1 | 19% | 0.194 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 166.6 | 175.3 | 61 | -81.5 | 0 | 0 | 0 | 111 | V163 F171 | H154-V163 PolarHBondContact N-O 2.97Å; H154-V163 PolarHBondContact O-N 3.33Å; H154-F171 AromaticContact CE1-CE1 3.81Å; H154-F171 AromaticContact CE1-CZ 3.66Å; H154-F171 AromaticContact NE2-CZ 3.86Å |
| 155 | H | 93.2 | Very high | 94.2 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 20% | 0.204 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123.5 | 164.3 | -177.7 | 84.6 | 0 | 0 | 0 | 108 | V144 C145 P157 C162 | V144-H155 VanDerWaalsContact CG1-CE1 3.47Å; V144-H155 WeakPolarHBondContact CG1-CE1 3.47Å; V144-H155 WeakPolarHBondContact CG1-NE2 3.29Å; C145-H155 PolarHBondContact SG-ND1 3.17Å; H155-P157 WeakPolarHBondContact O-CD 3.49Å; H155-C162 PolarHBondContact ND1-SG 3.22Å; H155-C162 VanDerWaalsContact ND1-SG 3.38Å |
| 156 | C | 94.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 5% | 0.054 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 110.6 | -176.1 | -179.1 | 0 | 0 | 0 | 0 | 110 | W158 V159 N160 N161 V163 | C156-W158 PolarHBondContact O-N 3.36Å; C156-V159 HydrophobicContact CB-CG2 3.62Å; C156-V159 WeakPolarHBondContact O-CG2 3.24Å; C156-V159 PolarHBondContact O-N 2.92Å; C156-N160 PolarHBondContact O-N 2.99Å; C156-N161 PolarHBondContact N-O 3.49Å; C156-N161 PolarHBondContact O-N 3.41Å; C156-V163 HydrophobicContact CB-CG2 4.02Å |
| 157 | P | 94 | Very high | 94.7 | Very high | 68 Ų | 68 | 21.5 Ų | 21.5 | 44% | 0.442 | 10% | 0.104 | S | C | . | . | G | 310 helix | trans | -60.9 | -33 | 178.1 | -24.2 | 34.9 | 0 | 0 | 0 | 113 | P21 H155 V159 N160 | P21-P157 WeakPolarHBondContact CB-O 3.03Å; P21-P157 HydrophobicContact CG-CB 4.28Å; H155-P157 WeakPolarHBondContact O-CD 3.49Å; P157-V159 PolarHBondContact O-N 3.08Å; P157-N160 PolarHBondContact O-N 3.33Å; P157-N160 VanDerWaalsContact O-N 3.07Å |
| 158 | W | 94.9 | Very high | 94.9 | Very high | 129 Ų | 129 | 19.7 Ų | 19.7 | 49% | 0.489 | 10% | 0.096 | S | C | . | . | G | 310 helix | trans | -65.7 | -17.4 | -178.1 | -56.1 | 108.8 | 0 | 0 | 0 | 114.7 | P21 F24 I25 Y69 C156 | P21-W158 HydrophobicContact CB-CE3 4.02Å; P21-W158 HydrophobicContact CB-CZ3 4.44Å; F24-W158 HydrophobicContact CD1-CZ3 4.11Å; F24-W158 HydrophobicContact CE1-CZ3 4.43Å; I25-W158 HydrophobicContact CD1-CE3 3.88Å; I25-W158 HydrophobicContact CD1-CZ3 4.03Å; I25-W158 HydrophobicContact CG1-CE3 3.77Å; I25-W158 HydrophobicContact CG1-CZ3 4.25Å; Y69-W158 PolarHBondContact OH-O 3.43Å; C156-W158 PolarHBondContact O-N 3.36Å |
| 159 | V | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -118.3 | 3.6 | 174.8 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | Y69 T72 I73 C156 P157 N161 | Y69-V159 HydrophobicContact CD2-CG1 4.12Å; Y69-V159 HydrophobicContact CE2-CG1 3.73Å; T72-V159 HydrophobicContact CG2-CB 4.2Å; T72-V159 HydrophobicContact CG2-CG1 3.79Å; T72-V159 HydrophobicContact CG2-CG2 4.22Å; I73-V159 HydrophobicContact CG1-CB 3.83Å; I73-V159 HydrophobicContact CG1-CG1 4.25Å; C156-V159 HydrophobicContact CB-CG2 3.62Å; C156-V159 WeakPolarHBondContact O-CG2 3.24Å; C156-V159 PolarHBondContact O-N 2.92Å; P157-V159 PolarHBondContact O-N 3.08Å; V159-N161 HydrophobicContact CG2-CB 4.11Å; V159-N161 WeakPolarHBondContact O-CB 3.22Å; V159-N161 PolarHBondContact O-N 3Å |
| 160 | N | 95.1 | Very high | 95.2 | Very high | 35 Ų | 35 | 20 Ų | 20 | 19% | 0.187 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.5 | 39.7 | -174.1 | -171.2 | 19 | 0 | 0 | 0 | 113.2 | Y18 W19 V22 C156 P157 | Y18-N160 VanDerWaalsContact CB-OD1 3.31Å; Y18-N160 WeakPolarHBondContact CB-OD1 3.45Å; W19-N160 VanDerWaalsContact CD2-ND2 3.28Å; W19-N160 PolarHBondContact NE1-ND2 2.89Å; V22-N160 HydrophobicContact CG2-CB 3.68Å; C156-N160 PolarHBondContact O-N 2.99Å; P157-N160 PolarHBondContact O-N 3.33Å; P157-N160 VanDerWaalsContact O-N 3.07Å |
| 161 | N | 95.3 | Very high | 95.3 | Very high | 17 Ų | 17 | 20 Ų | 20 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 156.8 | -174.5 | -162.7 | 8.3 | 0 | 0 | 0 | 111.2 | T72 I73 T75 P77 C156 V159 | T72-N161 PolarHBondContact O-ND2 2.72Å; I73-N161 PolarHBondContact O-ND2 3.32Å; T75-N161 PolarHBondContact O-ND2 2.78Å; P77-N161 VanDerWaalsContact CD-OD1 3.27Å; P77-N161 WeakPolarHBondContact CD-OD1 3.45Å; P77-N161 WeakPolarHBondContact CG-OD1 3.07Å; C156-N161 PolarHBondContact N-O 3.49Å; C156-N161 PolarHBondContact O-N 3.41Å; V159-N161 HydrophobicContact CG2-CB 4.11Å; V159-N161 WeakPolarHBondContact O-CB 3.22Å; V159-N161 PolarHBondContact O-N 3Å |
| 162 | C | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 129 | 171.5 | -76.7 | 0 | 0 | 0 | 0 | 109.8 | P77 C142 C145 I149 H155 N167 | P77-C162 HydrophobicContact CG-CB 3.92Å; C142-C162 WeakPolarHBondContact CB-SG 3.37Å; C142-C162 PolarHBondContact SG-SG 2.82Å; C145-C162 HydrophobicContact CB-CB 4.47Å; C145-C162 WeakPolarHBondContact CB-SG 3.48Å; C145-C162 WeakPolarHBondContact SG-CB 3.32Å; C145-C162 CovalentContact SG-SG 2.08Å; C145-C162 PolarHBondContact SG-SG 2.81Å; I149-C162 HydrophobicContact CD1-CB 3.7Å; I149-C162 HydrophobicContact CG1-CB 3.91Å; I149-C162 HydrophobicContact CG2-CB 4.31Å; H155-C162 PolarHBondContact ND1-SG 3.22Å; H155-C162 VanDerWaalsContact ND1-SG 3.38Å; C162-N167 PolarHBondContact O-ND2 2.97Å; C162-N167 PolarHBondContact O-OD1 3.18Å |
| 163 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.6 | 170.8 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | D153 H154 C156 N167 Y168 F171 | D153-V163 HydrophobicContact CB-CG1 4.27Å; D153-V163 PolarHBondContact N-O 2.86Å; H154-V163 PolarHBondContact N-O 2.97Å; H154-V163 PolarHBondContact O-N 3.33Å; C156-V163 HydrophobicContact CB-CG2 4.02Å; V163-N167 WeakPolarHBondContact CA-OD1 3.48Å; V163-Y168 HydrophobicContact CG1-CD2 3.79Å; V163-F171 HydrophobicContact CG1-CB 3.89Å; V163-F171 HydrophobicContact CG1-CD1 4.07Å; V163-F171 HydrophobicContact CG1-CG 3.92Å; V163-F171 HydrophobicContact CG2-CB 4.4Å; V163-F171 HydrophobicContact CG2-CD2 3.92Å; V163-F171 HydrophobicContact CG2-CE2 4.39Å; V163-F171 HydrophobicContact CG2-CG 4.1Å |
| 164 | G | 95.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -159.7 | -157.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K151 S166 N167 Y168 | K151-G164 WeakPolarHBondContact O-CA 3.38Å; G164-S166 VanDerWaalsContact C-N 3.34Å; G164-S166 PolarHBondContact O-N 3.4Å; G164-N167 PolarHBondContact N-OD1 2.87Å; G164-N167 PolarHBondContact O-N 2.83Å; G164-N167 PolarHBondContact O-OD1 3.29Å; G164-Y168 VanDerWaalsContact O-CB 3.24Å; G164-Y168 WeakPolarHBondContact O-CB 3.5Å; G164-Y168 PolarHBondContact O-N 2.95Å |
| 165 | F | 95.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 18.3 Ų | 18.3 | 4% | 0.035 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -46.9 | -170.4 | -178.4 | -107.4 | 0 | 0 | 0 | 114.6 | M78 L150 K151 N167 F285 L288 G289 F294 | M78-F165 HydrophobicContact CE-CE1 4.47Å; M78-F165 HydrophobicContact SD-CD1 4.22Å; M78-F165 HydrophobicContact SD-CE1 4.37Å; L150-F165 HydrophobicContact CB-CB 3.96Å; L150-F165 PolarHBondContact O-N 3.07Å; K151-F165 HydrophobicContact CB-CB 3.84Å; K151-F165 HydrophobicContact CB-CD2 4.41Å; K151-F165 HydrophobicContact CD-CD2 4.21Å; F165-N167 PolarHBondContact O-N 3.42Å; F165-F285 HydrophobicContact CE1-CE2 4.36Å; F165-F285 AromaticContact CE1-CZ 3.86Å; F165-F285 HydrophobicContact CE1-CZ 3.86Å; F165-F285 HydrophobicContact CZ-CZ 4.18Å; F165-L288 WeakPolarHBondContact CE2-O 3.27Å; F165-L288 WeakPolarHBondContact CZ-O 3.44Å; F165-G289 WeakPolarHBondContact CZ-O 3.35Å; F165-F294 HydrophobicContact CD2-CE1 4.2Å; F165-F294 HydrophobicContact CD2-CZ 4.42Å; F165-F294 HydrophobicContact CE2-CE1 4.36Å |
| 166 | S | 95.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 7% | 0.07 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -23 | -172.7 | 55 | 0 | 0 | 0 | 0 | 114.9 | K76 P77 M78 G164 | K76-S166 PolarHBondContact O-OG 3.46Å; P77-S166 WeakPolarHBondContact CA-OG 3.4Å; M78-S166 PolarHBondContact N-OG 3.2Å; G164-S166 VanDerWaalsContact C-N 3.34Å; G164-S166 PolarHBondContact O-N 3.4Å |
| 167 | N | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 3.8 | -175.4 | 66.1 | -15.5 | 0 | 0 | 0 | 114.2 | T72 T75 C162 V163 G164 F165 K169 F170 F171 | T72-N167 PolarHBondContact O-ND2 2.68Å; T75-N167 HydrophobicContact CG2-CB 4.01Å; C162-N167 PolarHBondContact O-ND2 2.97Å; C162-N167 PolarHBondContact O-OD1 3.18Å; V163-N167 WeakPolarHBondContact CA-OD1 3.48Å; G164-N167 PolarHBondContact N-OD1 2.87Å; G164-N167 PolarHBondContact O-N 2.83Å; G164-N167 PolarHBondContact O-OD1 3.29Å; F165-N167 PolarHBondContact O-N 3.42Å; N167-K169 VanDerWaalsContact C-N 3.32Å; N167-K169 PolarHBondContact O-N 3.15Å; N167-F170 HydrophobicContact CB-CD2 3.95Å; N167-F170 WeakPolarHBondContact O-CB 3.37Å; N167-F170 PolarHBondContact O-N 2.73Å; N167-F170 VanDerWaalsContact O-N 3.08Å; N167-F171 PolarHBondContact O-N 3.47Å |
| 168 | Y | 96.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 16 Ų | 16 | 5% | 0.047 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | -179.8 | -168.9 | -116.7 | 0 | 0 | 0 | 112.4 | D153 V163 G164 F170 F171 M172 H231 V235 V272 | D153-Y168 HydrophobicContact CB-CD2 4.3Å; D153-Y168 HydrophobicContact CB-CE2 4.21Å; V163-Y168 HydrophobicContact CG1-CD2 3.79Å; G164-Y168 VanDerWaalsContact O-CB 3.24Å; G164-Y168 WeakPolarHBondContact O-CB 3.5Å; G164-Y168 PolarHBondContact O-N 2.95Å; Y168-F170 VanDerWaalsContact C-N 3.34Å; Y168-F170 PolarHBondContact O-N 3.13Å; Y168-F171 PolarHBondContact O-N 2.97Å; Y168-M172 HydrophobicContact CE1-CG 4.31Å; Y168-M172 WeakPolarHBondContact O-CG 3.43Å; Y168-M172 PolarHBondContact O-N 3.3Å; Y168-H231 AromaticContact CE2-ND1 3.95Å; Y168-H231 PolarHBondContact OH-ND1 3.23Å; Y168-V235 HydrophobicContact CE1-CG2 3.76Å; Y168-V272 HydrophobicContact CD1-CG1 3.8Å; Y168-V272 HydrophobicContact CD1-CG2 4Å; Y168-V272 HydrophobicContact CE1-CG1 4.35Å; Y168-V272 HydrophobicContact CE1-CG2 4.17Å |
| 169 | K | 96.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 11 Ų | 11 | 1% | 0.013 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.1 | -177.1 | -170.1 | 168.9 | -167.7 | 0 | 111.7 | N167 F171 M172 L173 V272 F273 Y279 V282 V284 S286 | N167-K169 VanDerWaalsContact C-N 3.32Å; N167-K169 PolarHBondContact O-N 3.15Å; K169-F171 VanDerWaalsContact C-N 3.31Å; K169-F171 PolarHBondContact O-N 3.48Å; K169-M172 WeakPolarHBondContact O-CB 3.41Å; K169-M172 PolarHBondContact O-N 2.81Å; K169-L173 HydrophobicContact CG-CD1 4.38Å; K169-L173 WeakPolarHBondContact O-CG 3.36Å; K169-L173 PolarHBondContact O-N 2.97Å; K169-V272 HydrophobicContact CB-CG1 4.18Å; K169-F273 HydrophobicContact CD-CD1 4.48Å; K169-F273 HydrophobicContact CG-CD1 4.15Å; K169-F273 HydrophobicContact CG-CE1 4.23Å; K169-Y279 WeakPolarHBondContact CE-O 3.44Å; K169-Y279 PolarHBondContact NZ-O 3.38Å; K169-V282 PolarHBondContact NZ-O 3.13Å; K169-V282 VanDerWaalsContact NZ-O 3.09Å; K169-V284 PolarHBondContact NZ-O 3.37Å; K169-S286 WeakPolarHBondContact CD-OG 3.38Å; K169-S286 WeakPolarHBondContact CE-OG 3.35Å; K169-S286 PolarHBondContact NZ-OG 3.17Å |
| 170 | F | 98 | Very high | 96.9 | Very high | 6 Ų | 6 | 14.7 Ų | 14.7 | 3% | 0.026 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 178.8 | -52.6 | -33.9 | 0 | 0 | 0 | 111.4 | Q71 T72 T75 N167 Y168 L173 F174 P283 V284 F285 | Q71-F170 HydrophobicContact CB-CB 4.07Å; Q71-F170 HydrophobicContact CB-CD1 4.21Å; Q71-F170 HydrophobicContact CB-CD2 3.83Å; Q71-F170 HydrophobicContact CB-CE2 4.31Å; Q71-F170 HydrophobicContact CB-CG 3.78Å; T72-F170 WeakPolarHBondContact OG1-CB 3.2Å; T72-F170 PolarHBondContact OG1-O 3.33Å; T75-F170 HydrophobicContact CG2-CD2 4.26Å; T75-F170 HydrophobicContact CG2-CE2 3.91Å; T75-F170 WeakPolarHBondContact OG1-CD2 3.27Å; T75-F170 VanDerWaalsContact OG1-CE2 3.28Å; T75-F170 WeakPolarHBondContact OG1-CE2 3.32Å; N167-F170 HydrophobicContact CB-CD2 3.95Å; N167-F170 WeakPolarHBondContact O-CB 3.37Å; N167-F170 PolarHBondContact O-N 2.73Å; N167-F170 VanDerWaalsContact O-N 3.08Å; Y168-F170 VanDerWaalsContact C-N 3.34Å; Y168-F170 PolarHBondContact O-N 3.13Å; F170-L173 PolarHBondContact O-N 3.5Å; F170-F174 VanDerWaalsContact O-CB 3.29Å; F170-F174 WeakPolarHBondContact O-CB 3.24Å; F170-F174 PolarHBondContact O-N 3.19Å; F170-P283 HydrophobicContact CD1-CB 4.3Å; F170-P283 VanDerWaalsContact CE1-C 3.42Å; F170-P283 WeakPolarHBondContact CE1-O 3.35Å; F170-V284 VanDerWaalsContact CE1-C 3.42Å; F170-F285 HydrophobicContact CZ-CB 4.03Å |
| 171 | F | 97.7 | Very high | 97 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 2% | 0.018 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.2 | 178.8 | -103.3 | 0 | 0 | 0 | 112.2 | T72 H154 V163 N167 Y168 K169 L173 F174 L175 H231 | T72-F171 HydrophobicContact CG2-CB 4.01Å; T72-F171 HydrophobicContact CG2-CD2 4.16Å; T72-F171 PolarHBondContact OG1-N 2.97Å; H154-F171 AromaticContact CE1-CE1 3.81Å; H154-F171 AromaticContact CE1-CZ 3.66Å; H154-F171 AromaticContact NE2-CZ 3.86Å; V163-F171 HydrophobicContact CG1-CB 3.89Å; V163-F171 HydrophobicContact CG1-CD1 4.07Å; V163-F171 HydrophobicContact CG1-CG 3.92Å; V163-F171 HydrophobicContact CG2-CB 4.4Å; V163-F171 HydrophobicContact CG2-CD2 3.92Å; V163-F171 HydrophobicContact CG2-CE2 4.39Å; V163-F171 HydrophobicContact CG2-CG 4.1Å; N167-F171 PolarHBondContact O-N 3.47Å; Y168-F171 PolarHBondContact O-N 2.97Å; K169-F171 VanDerWaalsContact C-N 3.31Å; K169-F171 PolarHBondContact O-N 3.48Å; F171-L173 PolarHBondContact O-N 3.04Å; F171-F174 HydrophobicContact CD2-CD1 4.1Å; F171-F174 HydrophobicContact CE2-CD1 4.32Å; F171-F174 WeakPolarHBondContact O-CB 3.43Å; F171-F174 PolarHBondContact O-N 2.96Å; F171-L175 HydrophobicContact CD1-CD1 4.17Å; F171-L175 HydrophobicContact CE1-CD1 3.53Å; F171-L175 HydrophobicContact CE1-CG 4.15Å; F171-L175 HydrophobicContact CE2-CD2 4.35Å; F171-L175 HydrophobicContact CE2-CG 4.36Å; F171-L175 HydrophobicContact CZ-CD1 3.73Å; F171-L175 HydrophobicContact CZ-CD2 4.17Å; F171-L175 HydrophobicContact CZ-CG 4.05Å; F171-L175 WeakPolarHBondContact O-CG 3.43Å; F171-L175 PolarHBondContact O-N 3.01Å; F171-H231 AromaticContact CE1-CD2 3.89Å; F171-H231 AromaticContact CE1-CE1 3.81Å; F171-H231 AromaticContact CE1-NE2 3.6Å |
| 172 | M | 97.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 3% | 0.025 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | 174.4 | -71 | -61.2 | -62.2 | 0 | 0 | 112.2 | Y168 K169 L175 A176 F228 H231 V235 F273 | Y168-M172 HydrophobicContact CE1-CG 4.31Å; Y168-M172 WeakPolarHBondContact O-CG 3.43Å; Y168-M172 PolarHBondContact O-N 3.3Å; K169-M172 WeakPolarHBondContact O-CB 3.41Å; K169-M172 PolarHBondContact O-N 2.81Å; M172-L175 PolarHBondContact O-N 3.28Å; M172-A176 WeakPolarHBondContact O-CB 3.39Å; M172-A176 PolarHBondContact O-N 3.36Å; M172-F228 HydrophobicContact CE-CD2 4.43Å; M172-F228 HydrophobicContact CE-CE2 4.06Å; M172-H231 HydrophobicContact CE-CB 4.11Å; M172-H231 HydrophobicContact SD-CB 3.56Å; M172-H231 VanDerWaalsContact SD-CB 3.56Å; M172-V235 HydrophobicContact CE-CG2 4.01Å; M172-V235 HydrophobicContact CG-CG2 4.47Å; M172-V235 HydrophobicContact SD-CG2 4.1Å; M172-F273 HydrophobicContact CB-CZ 4.06Å; M172-F273 HydrophobicContact CG-CZ 4.47Å |
| 173 | L | 97.8 | Very high | 97.2 | Very high | 12 Ų | 12 | 17.6 Ų | 17.6 | 6% | 0.063 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.3 | -38.4 | 177.2 | -70.1 | 177.6 | 0 | 0 | 0 | 112 | A68 K169 F170 F171 A176 Y177 F273 W280 V282 P283 | A68-L173 HydrophobicContact CB-CB 4.17Å; K169-L173 HydrophobicContact CG-CD1 4.38Å; K169-L173 WeakPolarHBondContact O-CG 3.36Å; K169-L173 PolarHBondContact O-N 2.97Å; F170-L173 PolarHBondContact O-N 3.5Å; F171-L173 PolarHBondContact O-N 3.04Å; L173-A176 PolarHBondContact O-N 2.9Å; L173-Y177 HydrophobicContact CB-CD2 4.18Å; L173-Y177 HydrophobicContact CB-CE2 4.21Å; L173-Y177 HydrophobicContact CD2-CE2 4.08Å; L173-Y177 WeakPolarHBondContact O-CB 3.48Å; L173-Y177 WeakPolarHBondContact O-CD2 3.19Å; L173-Y177 PolarHBondContact O-N 3.3Å; L173-F273 HydrophobicContact CD2-CE1 4.33Å; L173-W280 WeakPolarHBondContact CD2-O 3.47Å; L173-V282 WeakPolarHBondContact CD1-O 3.13Å; L173-P283 HydrophobicContact CD1-CB 4.47Å; L173-P283 HydrophobicContact CD1-CG 4.23Å |
| 174 | F | 97.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 19.4 Ų | 19.4 | 9% | 0.092 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.1 | -48.9 | 173.2 | 159.7 | -112.1 | 0 | 0 | 0 | 110.5 | F65 A68 Y69 F170 F171 A176 S178 | F65-F174 HydrophobicContact CD2-CD2 4.39Å; F65-F174 HydrophobicContact CD2-CE2 4.48Å; F65-F174 HydrophobicContact CE2-CD2 4.07Å; F65-F174 AromaticContact CE2-CE2 3.73Å; F65-F174 HydrophobicContact CE2-CE2 3.73Å; F65-F174 HydrophobicContact CZ-CE2 4.46Å; A68-F174 HydrophobicContact CB-CB 4.14Å; Y69-F174 AromaticContact CD2-CD2 3.65Å; Y69-F174 HydrophobicContact CD2-CD2 3.65Å; Y69-F174 AromaticContact CD2-CE2 3.32Å; Y69-F174 HydrophobicContact CD2-CE2 3.32Å; Y69-F174 HydrophobicContact CD2-CG 4.36Å; Y69-F174 AromaticContact CD2-CZ 3.82Å; Y69-F174 HydrophobicContact CD2-CZ 3.82Å; Y69-F174 AromaticContact CE2-CE2 3.96Å; Y69-F174 HydrophobicContact CE2-CE2 3.96Å; Y69-F174 HydrophobicContact CE2-CZ 4.04Å; Y69-F174 HydrophobicContact CG-CD2 4.13Å; Y69-F174 AromaticContact CG-CE2 3.98Å; Y69-F174 HydrophobicContact CG-CE2 3.98Å; F170-F174 VanDerWaalsContact O-CB 3.29Å; F170-F174 WeakPolarHBondContact O-CB 3.24Å; F170-F174 PolarHBondContact O-N 3.19Å; F171-F174 HydrophobicContact CD2-CD1 4.1Å; F171-F174 HydrophobicContact CE2-CD1 4.32Å; F171-F174 WeakPolarHBondContact O-CB 3.43Å; F171-F174 PolarHBondContact O-N 2.96Å; F174-A176 PolarHBondContact O-N 3.35Å; F174-S178 WeakPolarHBondContact CD2-OG 3.34Å; F174-S178 VanDerWaalsContact CE2-OG 3.23Å; F174-S178 WeakPolarHBondContact CE2-OG 3.47Å; F174-S178 WeakPolarHBondContact O-CB 3.44Å; F174-S178 PolarHBondContact O-N 3.36Å; F174-S178 PolarHBondContact O-OG 2.97Å |
| 175 | L | 97.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 176.4 | -67.5 | -178.1 | 0 | 0 | 0 | 112.3 | F171 M172 S178 L179 L224 L227 F228 | F171-L175 HydrophobicContact CD1-CD1 4.17Å; F171-L175 HydrophobicContact CE1-CD1 3.53Å; F171-L175 HydrophobicContact CE1-CG 4.15Å; F171-L175 HydrophobicContact CE2-CD2 4.35Å; F171-L175 HydrophobicContact CE2-CG 4.36Å; F171-L175 HydrophobicContact CZ-CD1 3.73Å; F171-L175 HydrophobicContact CZ-CD2 4.17Å; F171-L175 HydrophobicContact CZ-CG 4.05Å; F171-L175 WeakPolarHBondContact O-CG 3.43Å; F171-L175 PolarHBondContact O-N 3.01Å; M172-L175 PolarHBondContact O-N 3.28Å; L175-S178 PolarHBondContact O-N 3.31Å; L175-L179 WeakPolarHBondContact O-CB 3.37Å; L175-L179 PolarHBondContact O-N 3.16Å; L175-L224 HydrophobicContact CD2-CD2 4.02Å; L175-L227 HydrophobicContact CD1-CD2 4.21Å; L175-L227 HydrophobicContact CD1-CG 3.99Å; L175-L227 HydrophobicContact CD2-CD2 3.74Å; L175-L227 HydrophobicContact CD2-CG 4.32Å; L175-F228 HydrophobicContact CB-CB 4.42Å; L175-F228 HydrophobicContact CB-CD2 3.83Å |
| 176 | A | 97.7 | Very high | 97.2 | Very high | 29 Ų | 29 | 20.3 Ų | 20.3 | 24% | 0.24 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.5 | -49.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M172 L173 F174 L179 L180 F228 | M172-A176 WeakPolarHBondContact O-CB 3.39Å; M172-A176 PolarHBondContact O-N 3.36Å; L173-A176 PolarHBondContact O-N 2.9Å; F174-A176 PolarHBondContact O-N 3.35Å; A176-L179 PolarHBondContact O-N 2.9Å; A176-L180 WeakPolarHBondContact O-CB 3.27Å; A176-L180 PolarHBondContact O-N 3.43Å; A176-F228 HydrophobicContact CB-CD2 4.41Å; A176-F228 HydrophobicContact CB-CE2 3.68Å; A176-F228 HydrophobicContact CB-CZ 3.92Å |
| 177 | Y | 98.1 | Very high | 97.2 | Very high | 35 Ų | 35 | 23 Ų | 23 | 14% | 0.137 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -72.1 | -30.7 | 179.2 | -71.6 | -58.5 | 0 | 0 | 0 | 112.7 | M64 A68 L173 L180 Y181 P281 | M64-Y177 HydrophobicContact CB-CD1 3.79Å; M64-Y177 HydrophobicContact CB-CD2 4.06Å; M64-Y177 HydrophobicContact CB-CE1 3.77Å; M64-Y177 HydrophobicContact CB-CE2 4.04Å; M64-Y177 HydrophobicContact CB-CG 3.97Å; M64-Y177 HydrophobicContact CE-CE1 4.49Å; M64-Y177 HydrophobicContact CE-CE2 3.77Å; M64-Y177 WeakPolarHBondContact CE-OH 3.37Å; M64-Y177 HydrophobicContact CG-CE1 4.26Å; A68-Y177 HydrophobicContact CB-CD2 4.25Å; L173-Y177 HydrophobicContact CB-CD2 4.18Å; L173-Y177 HydrophobicContact CB-CE2 4.21Å; L173-Y177 HydrophobicContact CD2-CE2 4.08Å; L173-Y177 WeakPolarHBondContact O-CB 3.48Å; L173-Y177 WeakPolarHBondContact O-CD2 3.19Å; L173-Y177 PolarHBondContact O-N 3.3Å; Y177-L180 HydrophobicContact CD1-CD2 4.33Å; Y177-Y181 WeakPolarHBondContact O-CB 3.5Å; Y177-Y181 PolarHBondContact O-N 3.38Å; Y177-P281 WeakPolarHBondContact CE2-O 3.23Å; Y177-P281 WeakPolarHBondContact OH-CB 3.46Å; Y177-P281 PolarHBondContact OH-O 3.36Å |
| 178 | S | 97.4 | Very high | 97 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 171.5 | -56.4 | 0 | 0 | 0 | 0 | 111 | F65 F174 L175 Y181 C182 | F65-S178 WeakPolarHBondContact CD2-OG 3.17Å; F65-S178 WeakPolarHBondContact CE2-OG 3.37Å; F174-S178 WeakPolarHBondContact CD2-OG 3.34Å; F174-S178 VanDerWaalsContact CE2-OG 3.23Å; F174-S178 WeakPolarHBondContact CE2-OG 3.47Å; F174-S178 WeakPolarHBondContact O-CB 3.44Å; F174-S178 PolarHBondContact O-N 3.36Å; F174-S178 PolarHBondContact O-OG 2.97Å; L175-S178 PolarHBondContact O-N 3.31Å; S178-Y181 PolarHBondContact O-N 3.24Å; S178-C182 PolarHBondContact O-N 2.85Å; S178-C182 PolarHBondContact O-SG 3.17Å |
| 179 | L | 97.9 | Very high | 96.7 | Very high | 24 Ų | 24 | 22.9 Ų | 22.9 | 13% | 0.126 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.7 | 177.9 | 60.5 | 0 | 0 | 0 | 110.7 | L175 A176 Y181 C182 L183 S221 L224 A225 F228 | L175-L179 WeakPolarHBondContact O-CB 3.37Å; L175-L179 PolarHBondContact O-N 3.16Å; A176-L179 PolarHBondContact O-N 2.9Å; L179-Y181 VanDerWaalsContact C-N 3.31Å; L179-Y181 PolarHBondContact O-N 3.13Å; L179-C182 PolarHBondContact O-N 3.45Å; L179-L183 HydrophobicContact CD1-CD1 3.85Å; L179-L183 HydrophobicContact CD1-CG 3.92Å; L179-L183 HydrophobicContact CG-CD1 3.81Å; L179-L183 HydrophobicContact CG-CG 4.3Å; L179-L183 WeakPolarHBondContact O-CB 3.45Å; L179-L183 VanDerWaalsContact O-CG 3.24Å; L179-L183 WeakPolarHBondContact O-CG 3.34Å; L179-L183 PolarHBondContact O-N 3.41Å; L179-S221 WeakPolarHBondContact CD1-O 3.15Å; L179-L224 HydrophobicContact CB-CB 4.41Å; L179-L224 HydrophobicContact CD1-CB 4.4Å; L179-A225 HydrophobicContact CD1-CB 3.95Å; L179-A225 HydrophobicContact CD2-CB 4.26Å; L179-F228 HydrophobicContact CD2-CD1 4.16Å |
| 180 | L | 97.8 | Very high | 96.4 | Very high | 79 Ų | 79 | 26.5 Ų | 26.5 | 41% | 0.414 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 177 | -177.7 | 61.2 | 0 | 0 | 0 | 111.8 | I61 A176 Y177 F184 | I61-L180 HydrophobicContact CD1-CD2 4.3Å; I61-L180 HydrophobicContact CD1-CG 4.1Å; I61-L180 HydrophobicContact CG1-CD2 4.04Å; I61-L180 HydrophobicContact CG1-CG 4.28Å; I61-L180 HydrophobicContact CG2-CD2 4.34Å; I61-L180 HydrophobicContact CG2-CG 4.17Å; A176-L180 WeakPolarHBondContact O-CB 3.27Å; A176-L180 PolarHBondContact O-N 3.43Å; Y177-L180 HydrophobicContact CD1-CD2 4.33Å; L180-F184 WeakPolarHBondContact O-CB 3.11Å; L180-F184 PolarHBondContact O-N 3.01Å |
| 181 | Y | 97.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 30 Ų | 30 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -51.7 | 175.9 | 177.6 | -105.3 | 0 | 0 | 0 | 111.8 | S32 Y58 I61 F62 Y177 S178 L179 F184 I185 | S32-Y181 PolarHBondContact OG-OH 3Å; Y58-Y181 HydrophobicContact CD2-CE2 4.21Å; Y58-Y181 HydrophobicContact CE2-CD2 4.23Å; Y58-Y181 AromaticContact CE2-CE2 3.35Å; Y58-Y181 HydrophobicContact CE2-CE2 3.35Å; Y58-Y181 AromaticContact CE2-CZ 3.96Å; Y58-Y181 AromaticContact CZ-CE2 3.64Å; Y58-Y181 PolarHBondContact OH-OH 3.32Å; I61-Y181 HydrophobicContact CG2-CD2 4.26Å; F62-Y181 HydrophobicContact CB-CE2 4.44Å; F62-Y181 AromaticContact CD2-CE2 3.82Å; F62-Y181 HydrophobicContact CD2-CE2 3.82Å; Y177-Y181 WeakPolarHBondContact O-CB 3.5Å; Y177-Y181 PolarHBondContact O-N 3.38Å; S178-Y181 PolarHBondContact O-N 3.24Å; L179-Y181 VanDerWaalsContact C-N 3.31Å; L179-Y181 PolarHBondContact O-N 3.13Å; Y181-F184 PolarHBondContact O-N 3.17Å; Y181-I185 HydrophobicContact CD1-CD1 3.93Å; Y181-I185 HydrophobicContact CD2-CD1 4.27Å; Y181-I185 HydrophobicContact CE1-CD1 3.43Å; Y181-I185 VanDerWaalsContact CE1-CD1 3.43Å; Y181-I185 HydrophobicContact CE2-CD1 3.82Å; Y181-I185 HydrophobicContact CG-CD1 4.33Å; Y181-I185 WeakPolarHBondContact O-CG1 3.21Å; Y181-I185 PolarHBondContact O-N 3.37Å |
| 182 | C | 97.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 30.4 Ų | 30.4 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 179.6 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | S178 L179 I185 T186 S221 | S178-C182 PolarHBondContact O-N 2.85Å; S178-C182 PolarHBondContact O-SG 3.17Å; L179-C182 PolarHBondContact O-N 3.45Å; C182-I185 PolarHBondContact O-N 3.19Å; C182-T186 WeakPolarHBondContact O-CB 3.41Å; C182-T186 PolarHBondContact O-N 3.08Å; C182-T186 PolarHBondContact O-OG1 3.29Å; C182-T186 VanDerWaalsContact O-OG1 3.12Å; C182-S221 WeakPolarHBondContact CB-OG 3.32Å |
| 183 | L | 97.1 | Very high | 94.7 | Very high | 88 Ų | 88 | 32 Ų | 32 | 46% | 0.461 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 176.5 | -72.7 | 175.2 | 0 | 0 | 0 | 112.1 | L179 T186 A187 | L179-L183 HydrophobicContact CD1-CD1 3.85Å; L179-L183 HydrophobicContact CD1-CG 3.92Å; L179-L183 HydrophobicContact CG-CD1 3.81Å; L179-L183 HydrophobicContact CG-CG 4.3Å; L179-L183 WeakPolarHBondContact O-CB 3.45Å; L179-L183 VanDerWaalsContact O-CG 3.24Å; L179-L183 WeakPolarHBondContact O-CG 3.34Å; L179-L183 PolarHBondContact O-N 3.41Å; L183-T186 PolarHBondContact O-N 3.38Å; L183-A187 WeakPolarHBondContact O-CB 3.49Å; L183-A187 PolarHBondContact O-N 3.04Å |
| 184 | F | 96.7 | Very high | 94.2 | Very high | 39 Ų | 39 | 35.7 Ų | 35.7 | 17% | 0.171 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 177.1 | -179 | -93.5 | 0 | 0 | 0 | 111.1 | Y36 A57 Y58 I61 L180 Y181 A187 T188 | Y36-F184 HydrophobicContact CE1-CE1 4.21Å; Y36-F184 AromaticContact CZ-CE1 3.8Å; Y36-F184 WeakPolarHBondContact OH-CE1 3.38Å; A57-F184 HydrophobicContact CB-CE2 3.79Å; A57-F184 HydrophobicContact CB-CZ 3.7Å; Y58-F184 HydrophobicContact CD2-CD1 4.25Å; Y58-F184 HydrophobicContact CD2-CE1 4.21Å; I61-F184 HydrophobicContact CD1-CB 3.96Å; I61-F184 HydrophobicContact CD1-CD1 4.36Å; I61-F184 HydrophobicContact CD1-CD2 3.83Å; I61-F184 HydrophobicContact CD1-CE2 4.45Å; I61-F184 HydrophobicContact CD1-CG 3.77Å; L180-F184 WeakPolarHBondContact O-CB 3.11Å; L180-F184 PolarHBondContact O-N 3.01Å; Y181-F184 PolarHBondContact O-N 3.17Å; F184-A187 PolarHBondContact O-N 3.24Å; F184-T188 HydrophobicContact CD2-CG2 4.5Å; F184-T188 HydrophobicContact CE1-CG2 4.14Å; F184-T188 HydrophobicContact CE2-CG2 4.12Å; F184-T188 HydrophobicContact CZ-CG2 3.92Å; F184-T188 WeakPolarHBondContact O-CB 3.47Å; F184-T188 WeakPolarHBondContact O-CG2 3.31Å; F184-T188 PolarHBondContact O-N 3.41Å; F184-T188 PolarHBondContact O-OG1 3.31Å |
| 185 | I | 95.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -54.7 | 174 | -69.5 | 171.2 | 0 | 0 | 0 | 110.2 | Y36 Y58 Y181 C182 A187 T188 D189 L213 A217 | Y36-I185 HydrophobicContact CD2-CB 4.44Å; Y36-I185 HydrophobicContact CD2-CG1 3.89Å; Y36-I185 HydrophobicContact CD2-CG2 4.22Å; Y36-I185 HydrophobicContact CE2-CB 4.47Å; Y36-I185 HydrophobicContact CE2-CG1 4.1Å; Y58-I185 HydrophobicContact CE2-CD1 4.15Å; Y58-I185 HydrophobicContact CE2-CG1 4.15Å; Y181-I185 HydrophobicContact CD1-CD1 3.93Å; Y181-I185 HydrophobicContact CD2-CD1 4.27Å; Y181-I185 HydrophobicContact CE1-CD1 3.43Å; Y181-I185 VanDerWaalsContact CE1-CD1 3.43Å; Y181-I185 HydrophobicContact CE2-CD1 3.82Å; Y181-I185 HydrophobicContact CG-CD1 4.33Å; Y181-I185 WeakPolarHBondContact O-CG1 3.21Å; Y181-I185 PolarHBondContact O-N 3.37Å; C182-I185 PolarHBondContact O-N 3.19Å; I185-A187 VanDerWaalsContact C-N 3.3Å; I185-A187 PolarHBondContact O-N 2.97Å; I185-T188 PolarHBondContact O-N 3.25Å; I185-T188 PolarHBondContact O-OG1 3.09Å; I185-D189 WeakPolarHBondContact O-CB 3.36Å; I185-D189 PolarHBondContact O-N 2.83Å; I185-L213 HydrophobicContact CG2-CD1 4.07Å; I185-L213 HydrophobicContact CG2-CD2 3.86Å; I185-L213 HydrophobicContact CG2-CG 3.62Å; I185-A217 HydrophobicContact CB-CB 4.17Å; I185-A217 HydrophobicContact CG2-CB 3.75Å |
| 186 | T | 95.4 | Very high | 92.6 | Very high | 25 Ų | 25 | 38.7 Ų | 38.7 | 15% | 0.153 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.5 | -43 | -179.1 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | C182 L183 L190 F214 A217 S218 | C182-T186 WeakPolarHBondContact O-CB 3.41Å; C182-T186 PolarHBondContact O-N 3.08Å; C182-T186 PolarHBondContact O-OG1 3.29Å; C182-T186 VanDerWaalsContact O-OG1 3.12Å; L183-T186 PolarHBondContact O-N 3.38Å; T186-L190 VanDerWaalsContact O-CB 3.29Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 PolarHBondContact O-N 3.14Å; T186-F214 HydrophobicContact CG2-CD2 4.39Å; T186-F214 HydrophobicContact CG2-CE2 3.8Å; T186-F214 HydrophobicContact CG2-CZ 4.38Å; T186-A217 WeakPolarHBondContact OG1-CB 3.21Å; T186-S218 VanDerWaalsContact CG2-OG 3.31Å; T186-S218 WeakPolarHBondContact CG2-OG 3.47Å; T186-S218 PolarHBondContact OG1-N 2.08Å; T186-S218 PolarHBondContact OG1-OG 3.33Å |
| 187 | A | 94.7 | Very high | 91.8 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 56% | 0.562 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -68.5 | -45.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L183 F184 I185 | L183-A187 WeakPolarHBondContact O-CB 3.49Å; L183-A187 PolarHBondContact O-N 3.04Å; F184-A187 PolarHBondContact O-N 3.24Å; I185-A187 VanDerWaalsContact C-N 3.3Å; I185-A187 PolarHBondContact O-N 2.97Å |
| 188 | T | 92.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -72.2 | -32.8 | 179.5 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | Y36 Y54 F184 I185 Q191 Y192 | Y36-T188 VanDerWaalsContact CE2-OG1 3.25Å; Y36-T188 WeakPolarHBondContact CE2-OG1 3.21Å; Y36-T188 WeakPolarHBondContact OH-CB 3.49Å; Y36-T188 PolarHBondContact OH-OG1 2.89Å; Y54-T188 HydrophobicContact CD1-CG2 4.24Å; Y54-T188 HydrophobicContact CD2-CG2 4.26Å; Y54-T188 HydrophobicContact CE1-CG2 4.01Å; Y54-T188 HydrophobicContact CE2-CG2 4.04Å; Y54-T188 HydrophobicContact CG-CG2 4.36Å; F184-T188 HydrophobicContact CD2-CG2 4.5Å; F184-T188 HydrophobicContact CE1-CG2 4.14Å; F184-T188 HydrophobicContact CE2-CG2 4.12Å; F184-T188 HydrophobicContact CZ-CG2 3.92Å; F184-T188 WeakPolarHBondContact O-CB 3.47Å; F184-T188 WeakPolarHBondContact O-CG2 3.31Å; F184-T188 PolarHBondContact O-N 3.41Å; F184-T188 PolarHBondContact O-OG1 3.31Å; I185-T188 PolarHBondContact O-N 3.25Å; I185-T188 PolarHBondContact O-OG1 3.09Å; T188-Q191 WeakPolarHBondContact O-CG 3.32Å; T188-Q191 PolarHBondContact O-NE2 3.26Å; T188-Y192 WeakPolarHBondContact O-CD2 3.34Å; T188-Y192 WeakPolarHBondContact O-CE2 3.35Å |
| 189 | D | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -78.7 | -27.6 | -179.9 | -163.4 | 44.2 | 0 | 0 | 0 | 112.7 | L40 I185 Q191 Y192 F193 I210 F214 | L40-D189 HydrophobicContact CD2-CB 4.41Å; I185-D189 WeakPolarHBondContact O-CB 3.36Å; I185-D189 PolarHBondContact O-N 2.83Å; D189-Q191 VanDerWaalsContact C-N 3.29Å; D189-Q191 PolarHBondContact O-N 3.2Å; D189-Y192 PolarHBondContact O-N 3.1Å; D189-F193 WeakPolarHBondContact O-CB 3.49Å; D189-F193 PolarHBondContact O-N 3.49Å; D189-I210 VanDerWaalsContact OD1-CG2 3.27Å; D189-I210 WeakPolarHBondContact OD1-CG2 3.22Å; D189-I210 VanDerWaalsContact OD2-O 3.13Å; D189-F214 HydrophobicContact CB-CD2 4.4Å; D189-F214 WeakPolarHBondContact OD2-CA 3.06Å; D189-F214 VanDerWaalsContact OD2-CB 3.23Å; D189-F214 WeakPolarHBondContact OD2-CB 3.49Å; D189-F214 PolarHBondContact OD2-N 3.24Å |
| 190 | L | 91.1 | Very high | 88.6 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 41% | 0.408 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -53.9 | -42.7 | 179.6 | 178.8 | 60.9 | 0 | 0 | 0 | 113 | T186 F193 I194 F214 | T186-L190 VanDerWaalsContact O-CB 3.29Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 PolarHBondContact O-N 3.14Å; L190-F193 WeakPolarHBondContact O-CB 3.3Å; L190-F193 PolarHBondContact O-N 3.44Å; L190-I194 HydrophobicContact CD1-CD1 4.11Å; L190-I194 HydrophobicContact CD1-CG1 4.38Å; L190-I194 HydrophobicContact CG-CD1 4.11Å; L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.5Å; L190-I194 PolarHBondContact O-N 3.24Å; L190-F214 HydrophobicContact CB-CE2 4.04Å; L190-F214 HydrophobicContact CD1-CE2 3.91Å; L190-F214 HydrophobicContact CD1-CZ 3.91Å |
| 191 | Q | 88 | Confident | 87 | Confident | 79 Ų | 79 | 56.9 Ų | 56.9 | 37% | 0.369 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 179 | 49.2 | 168 | -4.9 | 0 | 0 | 112.2 | E50 Y54 T188 D189 I194 K195 | E50-Q191 PolarHBondContact OE1-NE2 3.38Å; Y54-Q191 PolarHBondContact OH-NE2 2.82Å; T188-Q191 WeakPolarHBondContact O-CG 3.32Å; T188-Q191 PolarHBondContact O-NE2 3.26Å; D189-Q191 VanDerWaalsContact C-N 3.29Å; D189-Q191 PolarHBondContact O-N 3.2Å; Q191-I194 PolarHBondContact O-N 2.87Å; Q191-K195 WeakPolarHBondContact O-CB 3.5Å; Q191-K195 PolarHBondContact O-N 2.88Å |
| 192 | Y | 84.3 | Confident | 85.5 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 5% | 0.051 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.8 | -39.8 | 177.7 | -62.1 | -78 | 0 | 0 | 0 | 110.7 | L40 I45 E50 Y54 T188 D189 I194 K195 F196 | L40-Y192 HydrophobicContact CD1-CD1 4.41Å; L40-Y192 HydrophobicContact CD1-CD2 3.6Å; L40-Y192 HydrophobicContact CD1-CE2 4.27Å; L40-Y192 HydrophobicContact CD1-CG 3.69Å; L40-Y192 HydrophobicContact CD2-CD2 4.4Å; L40-Y192 HydrophobicContact CG-CD2 4.28Å; I45-Y192 HydrophobicContact CD1-CE2 4.1Å; I45-Y192 VanDerWaalsContact CD1-OH 3.24Å; I45-Y192 WeakPolarHBondContact CD1-OH 3.24Å; I45-Y192 HydrophobicContact CG1-CE1 3.97Å; I45-Y192 HydrophobicContact CG1-CE2 4.18Å; I45-Y192 WeakPolarHBondContact CG1-OH 3.37Å; E50-Y192 PolarHBondContact OE1-OH 3.18Å; E50-Y192 PolarHBondContact OE2-OH 2.69Å; E50-Y192 VanDerWaalsContact OE2-OH 3.11Å; Y54-Y192 HydrophobicContact CE2-CE2 4.29Å; T188-Y192 WeakPolarHBondContact O-CD2 3.34Å; T188-Y192 WeakPolarHBondContact O-CE2 3.35Å; D189-Y192 PolarHBondContact O-N 3.1Å; Y192-I194 VanDerWaalsContact C-N 3.31Å; Y192-I194 PolarHBondContact O-N 3.25Å; Y192-K195 CarbonylContact O-C 3.58Å; Y192-K195 WeakPolarHBondContact O-CA 3.47Å; Y192-K195 WeakPolarHBondContact O-CB 3.48Å; Y192-K195 PolarHBondContact O-N 3.04Å; Y192-F196 WeakPolarHBondContact O-CD2 3.29Å; Y192-F196 PolarHBondContact O-N 3.39Å |
| 193 | F | 85.8 | Confident | 83.9 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 17% | 0.167 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -51.1 | -50.9 | 170.6 | -178.7 | -85.1 | 0 | 0 | 0 | 110.9 | D189 L190 K195 F196 W197 L211 F214 F215 | D189-F193 WeakPolarHBondContact O-CB 3.49Å; D189-F193 PolarHBondContact O-N 3.49Å; L190-F193 WeakPolarHBondContact O-CB 3.3Å; L190-F193 PolarHBondContact O-N 3.44Å; F193-K195 PolarHBondContact O-N 3.39Å; F193-F196 PolarHBondContact O-N 3.45Å; F193-W197 AromaticContact CD1-CD1 3.83Å; F193-W197 AromaticContact CE1-CD1 3.53Å; F193-W197 AromaticContact CE1-NE1 3.72Å; F193-W197 AromaticContact CE2-CD1 3.99Å; F193-W197 AromaticContact CE2-NE1 3.52Å; F193-W197 AromaticContact CZ-CD1 3.61Å; F193-W197 AromaticContact CZ-NE1 3.27Å; F193-W197 VanDerWaalsContact CZ-NE1 3.27Å; F193-W197 VanDerWaalsContact O-CD1 3.24Å; F193-W197 PolarHBondContact O-N 2.79Å; F193-W197 VanDerWaalsContact O-N 3.15Å; F193-L211 HydrophobicContact CD2-CD2 3.52Å; F193-L211 HydrophobicContact CE2-CD2 3.29Å; F193-L211 HydrophobicContact CZ-CD2 4.29Å; F193-F214 HydrophobicContact CD2-CB 4.19Å; F193-F214 AromaticContact CD2-CD1 3.99Å; F193-F214 HydrophobicContact CD2-CD1 3.99Å; F193-F214 HydrophobicContact CD2-CG 4.02Å; F193-F214 HydrophobicContact CE2-CD1 4.03Å; F193-F214 HydrophobicContact CE2-CG 4.49Å; F193-F214 HydrophobicContact CG-CG 4.5Å; F193-F215 HydrophobicContact CE2-CE2 4.2Å; F193-F215 HydrophobicContact CE2-CZ 4.22Å; F193-F215 HydrophobicContact CZ-CZ 4.34Å |
| 194 | I | 86.9 | Confident | 82.7 | Confident | 90 Ų | 90 | 64.9 Ų | 64.9 | 46% | 0.462 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 177 | -65.5 | 164.9 | 0 | 0 | 0 | 110.9 | L190 Q191 Y192 F196 W197 T198 | L190-I194 HydrophobicContact CD1-CD1 4.11Å; L190-I194 HydrophobicContact CD1-CG1 4.38Å; L190-I194 HydrophobicContact CG-CD1 4.11Å; L190-I194 VanDerWaalsContact O-CG1 3.29Å; L190-I194 WeakPolarHBondContact O-CG1 3.5Å; L190-I194 PolarHBondContact O-N 3.24Å; Q191-I194 PolarHBondContact O-N 2.87Å; Y192-I194 VanDerWaalsContact C-N 3.31Å; Y192-I194 PolarHBondContact O-N 3.25Å; I194-F196 VanDerWaalsContact C-N 3.34Å; I194-F196 PolarHBondContact O-N 2.82Å; I194-W197 PolarHBondContact O-N 3.26Å; I194-T198 HydrophobicContact CG2-CG2 4.01Å; I194-T198 WeakPolarHBondContact O-CB 3.3Å; I194-T198 WeakPolarHBondContact O-CG2 3.28Å; I194-T198 PolarHBondContact O-N 3.29Å; I194-T198 PolarHBondContact O-OG1 2.82Å |
| 195 | K | 83.7 | Confident | 81.7 | Confident | 60 Ų | 60 | 69.3 Ų | 69.3 | 26% | 0.261 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 178.1 | -168.8 | -177.5 | 175.1 | -172.5 | 0 | 111.8 | E46 Q191 Y192 F193 K199 L201 | E46-K195 IonicContact OE1-NZ 3.87Å; Q191-K195 WeakPolarHBondContact O-CB 3.5Å; Q191-K195 PolarHBondContact O-N 2.88Å; Y192-K195 CarbonylContact O-C 3.58Å; Y192-K195 WeakPolarHBondContact O-CA 3.47Å; Y192-K195 WeakPolarHBondContact O-CB 3.48Å; Y192-K195 PolarHBondContact O-N 3.04Å; F193-K195 PolarHBondContact O-N 3.39Å; K195-K199 HydrophobicContact CG-CD 4.07Å; K195-K199 HydrophobicContact CG-CG 4.44Å; K195-K199 WeakPolarHBondContact O-CB 3.41Å; K195-K199 PolarHBondContact O-N 3.28Å; K195-L201 HydrophobicContact CD-CD1 4.49Å; K195-L201 HydrophobicContact CG-CD1 4.32Å |
| 196 | F | 78.9 | Confident | 80.6 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 12% | 0.118 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 177.3 | -82.6 | -69.6 | 0 | 0 | 0 | 112.2 | Y192 F193 I194 L201 I210 | Y192-F196 WeakPolarHBondContact O-CD2 3.29Å; Y192-F196 PolarHBondContact O-N 3.39Å; F193-F196 PolarHBondContact O-N 3.45Å; I194-F196 VanDerWaalsContact C-N 3.34Å; I194-F196 PolarHBondContact O-N 2.82Å; F196-L201 HydrophobicContact CD1-CB 3.7Å; F196-L201 HydrophobicContact CD1-CD1 3.65Å; F196-L201 HydrophobicContact CD1-CG 4.29Å; F196-L201 HydrophobicContact CE1-CB 3.86Å; F196-L201 HydrophobicContact CE1-CD1 3.57Å; F196-L201 HydrophobicContact CE1-CG 4.37Å; F196-L201 HydrophobicContact CG-CD1 4.23Å; F196-L201 HydrophobicContact CZ-CD1 4.09Å; F196-I210 HydrophobicContact CD2-CD1 4.49Å; F196-I210 HydrophobicContact CD2-CG2 4.15Å; F196-I210 HydrophobicContact CE2-CD1 3.47Å; F196-I210 VanDerWaalsContact CE2-CD1 3.47Å; F196-I210 HydrophobicContact CE2-CG2 4.12Å; F196-I210 HydrophobicContact CZ-CD1 3.79Å |
| 197 | W | 79.1 | Confident | 79.9 | Confident | 171 Ų | 171 | 71.2 Ų | 71.2 | 65% | 0.648 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -74.3 | -31.3 | -178.8 | -79.8 | 101.5 | 0 | 0 | 0 | 113.7 | F193 I194 | F193-W197 AromaticContact CD1-CD1 3.83Å; F193-W197 AromaticContact CE1-CD1 3.53Å; F193-W197 AromaticContact CE1-NE1 3.72Å; F193-W197 AromaticContact CE2-CD1 3.99Å; F193-W197 AromaticContact CE2-NE1 3.52Å; F193-W197 AromaticContact CZ-CD1 3.61Å; F193-W197 AromaticContact CZ-NE1 3.27Å; F193-W197 VanDerWaalsContact CZ-NE1 3.27Å; F193-W197 VanDerWaalsContact O-CD1 3.24Å; F193-W197 PolarHBondContact O-N 2.79Å; F193-W197 VanDerWaalsContact O-N 3.15Å; I194-W197 PolarHBondContact O-N 3.26Å |
| 198 | T | 84.5 | Confident | 79.5 | Confident | 100 Ų | 100 | 73.7 Ų | 73.7 | 61% | 0.613 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -92.3 | -34.9 | -175.2 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | I194 | I194-T198 HydrophobicContact CG2-CG2 4.01Å; I194-T198 WeakPolarHBondContact O-CB 3.3Å; I194-T198 WeakPolarHBondContact O-CG2 3.28Å; I194-T198 PolarHBondContact O-N 3.29Å; I194-T198 PolarHBondContact O-OG1 2.82Å |
| 199 | K | 76.9 | Confident | 79.3 | Confident | 156 Ų | 156 | 75.1 Ų | 75.1 | 68% | 0.678 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -101 | 0.4 | -173.9 | -59.3 | -165.3 | 179.8 | -176.3 | 0 | 114.4 | K195 L201 | K195-K199 HydrophobicContact CG-CD 4.07Å; K195-K199 HydrophobicContact CG-CG 4.44Å; K195-K199 WeakPolarHBondContact O-CB 3.41Å; K195-K199 PolarHBondContact O-N 3.28Å; K199-L201 VanDerWaalsContact C-N 3.34Å; K199-L201 PolarHBondContact O-N 3.46Å |
| 200 | G | 65.3 | Low | 79 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 66% | 0.66 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 40.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 201 | L | 65.4 | Low | 78.9 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | trans | -56.7 | 146.3 | 175.5 | -74.3 | 170 | 0 | 0 | 0 | 110.4 | K195 F196 K199 | K195-L201 HydrophobicContact CD-CD1 4.49Å; K195-L201 HydrophobicContact CG-CD1 4.32Å; F196-L201 HydrophobicContact CD1-CB 3.7Å; F196-L201 HydrophobicContact CD1-CD1 3.65Å; F196-L201 HydrophobicContact CD1-CG 4.29Å; F196-L201 HydrophobicContact CE1-CB 3.86Å; F196-L201 HydrophobicContact CE1-CD1 3.57Å; F196-L201 HydrophobicContact CE1-CG 4.37Å; F196-L201 HydrophobicContact CG-CD1 4.23Å; F196-L201 HydrophobicContact CZ-CD1 4.09Å; K199-L201 VanDerWaalsContact C-N 3.34Å; K199-L201 PolarHBondContact O-N 3.46Å | ||
| 202 | P | 65.9 | Low | 79 | Confident | 92 Ų | 92 | 75 Ų | 75 | 60% | 0.597 | 38% | 0.381 | S | S | * | . | trans | -57.3 | 142.8 | -174.5 | 20.2 | -30.8 | 0 | 0 | 0 | 112.3 | T204 | P202-T204 VanDerWaalsContact C-N 3.35Å; P202-T204 PolarHBondContact O-N 3.25Å; P202-T204 PolarHBondContact O-OG1 3.25Å | ||
| 203 | D | 64.2 | Low | 79.4 | Confident | 114 Ų | 114 | 74.5 Ų | 74.5 | 61% | 0.61 | 38% | 0.379 | S | S | * | . | trans | -68.6 | 90 | -177.7 | -153.9 | 41.1 | 0 | 0 | 0 | 109.7 | K207 | D203-K207 WeakPolarHBondContact OD1-CD 3.41Å; D203-K207 WeakPolarHBondContact OD1-CE 3.46Å; D203-K207 IonicContact OD1-NZ 2.74Å; D203-K207 PolarHBondContact OD1-NZ 3.2Å | ||
| 204 | T | 70.9 | Confident | 79.7 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | trans | -114.6 | 158.3 | -174.4 | -29.2 | 0 | 0 | 0 | 0 | 109.6 | P202 A206 K207 | P202-T204 VanDerWaalsContact C-N 3.35Å; P202-T204 PolarHBondContact O-N 3.25Å; P202-T204 PolarHBondContact O-OG1 3.25Å; T204-A206 PolarHBondContact O-N 2.84Å; T204-A206 VanDerWaalsContact O-N 3.08Å; T204-K207 VanDerWaalsContact O-CB 3.31Å; T204-K207 WeakPolarHBondContact O-CB 3.21Å; T204-K207 PolarHBondContact O-N 3.16Å | ||
| 205 | Q | 74.8 | Confident | 80 | Confident | 132 Ų | 132 | 75.6 Ų | 75.6 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -50.6 | -34.3 | 175.3 | -71.7 | -68.1 | -20.5 | 0 | 0 | 112.9 | K207 F208 H209 | Q205-K207 VanDerWaalsContact C-N 3.26Å; Q205-K207 PolarHBondContact O-N 2.82Å; Q205-F208 PolarHBondContact O-N 3.48Å; Q205-H209 PolarHBondContact O-CD2 3.28Å; Q205-H209 PolarHBondContact O-N 3.35Å |
| 206 | A | 74.3 | Confident | 80.5 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.8 | -36.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q39 T204 F208 H209 I210 | Q39-A206 HydrophobicContact CB-CB 4.42Å; T204-A206 PolarHBondContact O-N 2.84Å; T204-A206 VanDerWaalsContact O-N 3.08Å; A206-F208 PolarHBondContact O-N 3.22Å; A206-H209 PolarHBondContact O-N 2.89Å; A206-I210 HydrophobicContact CB-CD1 4.45Å; A206-I210 VanDerWaalsContact O-CB 3.31Å; A206-I210 WeakPolarHBondContact O-CB 3.18Å; A206-I210 WeakPolarHBondContact O-CD1 3.5Å; A206-I210 WeakPolarHBondContact O-CG1 3.46Å; A206-I210 PolarHBondContact O-N 3.43Å |
| 207 | K | 80.7 | Confident | 81.3 | Confident | 61 Ų | 61 | 72.6 Ų | 72.6 | 27% | 0.265 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 179.5 | -178.8 | -176.5 | 166.9 | -168.9 | 0 | 111.9 | D203 T204 Q205 I210 L211 | D203-K207 WeakPolarHBondContact OD1-CD 3.41Å; D203-K207 WeakPolarHBondContact OD1-CE 3.46Å; D203-K207 IonicContact OD1-NZ 2.74Å; D203-K207 PolarHBondContact OD1-NZ 3.2Å; T204-K207 VanDerWaalsContact O-CB 3.31Å; T204-K207 WeakPolarHBondContact O-CB 3.21Å; T204-K207 PolarHBondContact O-N 3.16Å; Q205-K207 VanDerWaalsContact C-N 3.26Å; Q205-K207 PolarHBondContact O-N 2.82Å; K207-I210 PolarHBondContact O-N 3.39Å; K207-L211 HydrophobicContact CG-CD1 3.88Å; K207-L211 HydrophobicContact CG-CG 4.33Å; K207-L211 WeakPolarHBondContact O-CB 3.2Å; K207-L211 WeakPolarHBondContact O-CG 3.43Å; K207-L211 PolarHBondContact O-N 2.98Å |
| 208 | F | 85.2 | Confident | 82.1 | Confident | 119 Ų | 119 | 65.8 Ų | 65.8 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 178.5 | -72.8 | -75 | 0 | 0 | 0 | 111.5 | Q205 A206 F212 | Q205-F208 PolarHBondContact O-N 3.48Å; A206-F208 PolarHBondContact O-N 3.22Å; F208-F212 VanDerWaalsContact O-CB 3.26Å; F208-F212 WeakPolarHBondContact O-CB 3.31Å; F208-F212 PolarHBondContact O-N 2.9Å |
| 209 | H | 87.7 | Confident | 82.6 | Confident | 39 Ų | 39 | 66 Ų | 66 | 18% | 0.181 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 178 | -72.9 | -53.6 | 0 | 0 | 0 | 112.3 | W31 Y34 A35 Q39 Q205 A206 F212 L213 | W31-H209 AromaticContact NE1-CE1 3.79Å; W31-H209 AromaticContact NE1-ND1 3.37Å; W31-H209 PolarHBondContact NE1-ND1 2.99Å; Y34-H209 AromaticContact CE1-NE2 3.77Å; A35-H209 HydrophobicContact CB-CB 4.17Å; Q39-H209 HydrophobicContact CB-CB 4.35Å; Q39-H209 HydrophobicContact CG-CB 4.19Å; Q205-H209 PolarHBondContact O-CD2 3.28Å; Q205-H209 PolarHBondContact O-N 3.35Å; A206-H209 PolarHBondContact O-N 2.89Å; H209-F212 PolarHBondContact O-N 3.3Å; H209-L213 WeakPolarHBondContact O-CB 3.44Å; H209-L213 PolarHBondContact O-N 3.48Å |
| 210 | I | 85 | Confident | 83.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -49.3 | 179.8 | -72.8 | 169.1 | 0 | 0 | 0 | 111.1 | L40 S44 D189 F196 A206 K207 F212 L213 F214 | L40-I210 HydrophobicContact CB-CG1 4.45Å; L40-I210 HydrophobicContact CD1-CD1 3.74Å; L40-I210 HydrophobicContact CD1-CG1 4.02Å; S44-I210 WeakPolarHBondContact OG-CD1 3.38Å; D189-I210 VanDerWaalsContact OD1-CG2 3.27Å; D189-I210 WeakPolarHBondContact OD1-CG2 3.22Å; D189-I210 VanDerWaalsContact OD2-O 3.13Å; F196-I210 HydrophobicContact CD2-CD1 4.49Å; F196-I210 HydrophobicContact CD2-CG2 4.15Å; F196-I210 HydrophobicContact CE2-CD1 3.47Å; F196-I210 VanDerWaalsContact CE2-CD1 3.47Å; F196-I210 HydrophobicContact CE2-CG2 4.12Å; F196-I210 HydrophobicContact CZ-CD1 3.79Å; A206-I210 HydrophobicContact CB-CD1 4.45Å; A206-I210 VanDerWaalsContact O-CB 3.31Å; A206-I210 WeakPolarHBondContact O-CB 3.18Å; A206-I210 WeakPolarHBondContact O-CD1 3.5Å; A206-I210 WeakPolarHBondContact O-CG1 3.46Å; A206-I210 PolarHBondContact O-N 3.43Å; K207-I210 PolarHBondContact O-N 3.39Å; I210-F212 PolarHBondContact O-N 3.36Å; I210-L213 WeakPolarHBondContact O-CB 3.44Å; I210-L213 PolarHBondContact O-N 2.82Å; I210-F214 PolarHBondContact O-N 3.12Å |
| 211 | L | 88.4 | Confident | 84.9 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 177.2 | -69.5 | 174.2 | 0 | 0 | 0 | 111.9 | F193 K207 L213 F214 F215 | F193-L211 HydrophobicContact CD2-CD2 3.52Å; F193-L211 HydrophobicContact CE2-CD2 3.29Å; F193-L211 HydrophobicContact CZ-CD2 4.29Å; K207-L211 HydrophobicContact CG-CD1 3.88Å; K207-L211 HydrophobicContact CG-CG 4.33Å; K207-L211 WeakPolarHBondContact O-CB 3.2Å; K207-L211 WeakPolarHBondContact O-CG 3.43Å; K207-L211 PolarHBondContact O-N 2.98Å; L211-L213 VanDerWaalsContact C-N 3.29Å; L211-L213 PolarHBondContact O-N 2.99Å; L211-F214 PolarHBondContact O-N 3.48Å; L211-F215 WeakPolarHBondContact O-CD2 3.4Å; L211-F215 PolarHBondContact O-N 3.04Å; L211-F215 VanDerWaalsContact O-N 3.16Å |
| 212 | F | 91.1 | Very high | 86.4 | Confident | 126 Ų | 126 | 61.8 Ų | 61.8 | 55% | 0.553 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66 | -34.7 | 179.7 | -172 | -115.7 | 0 | 0 | 0 | 111.6 | W31 F208 H209 I210 S216 | W31-F212 HydrophobicContact CE3-CD1 4.5Å; W31-F212 HydrophobicContact CE3-CE1 4.36Å; W31-F212 HydrophobicContact CH2-CB 4.3Å; W31-F212 AromaticContact CH2-CD1 3.19Å; W31-F212 HydrophobicContact CH2-CD1 3.19Å; W31-F212 AromaticContact CH2-CE1 3.78Å; W31-F212 HydrophobicContact CH2-CE1 3.78Å; W31-F212 HydrophobicContact CH2-CG 4.12Å; W31-F212 HydrophobicContact CZ2-CB 4.39Å; W31-F212 AromaticContact CZ2-CD1 3.41Å; W31-F212 HydrophobicContact CZ2-CD1 3.41Å; W31-F212 VanDerWaalsContact CZ2-CD1 3.41Å; W31-F212 HydrophobicContact CZ2-CE1 4.16Å; W31-F212 HydrophobicContact CZ2-CG 4.37Å; W31-F212 AromaticContact CZ3-CD1 3.78Å; W31-F212 HydrophobicContact CZ3-CD1 3.78Å; W31-F212 AromaticContact CZ3-CE1 3.87Å; W31-F212 HydrophobicContact CZ3-CE1 3.87Å; F208-F212 VanDerWaalsContact O-CB 3.26Å; F208-F212 WeakPolarHBondContact O-CB 3.31Å; F208-F212 PolarHBondContact O-N 2.9Å; H209-F212 PolarHBondContact O-N 3.3Å; I210-F212 PolarHBondContact O-N 3.36Å; F212-S216 WeakPolarHBondContact O-CB 3.32Å; F212-S216 PolarHBondContact O-N 3.46Å; F212-S216 PolarHBondContact O-OG 3.39Å |
| 213 | L | 92.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 175.4 | -171.7 | 65.9 | 0 | 0 | 0 | 111.3 | W31 A35 Y36 I185 H209 I210 L211 F215 S216 A217 | W31-L213 HydrophobicContact CH2-CB 4.01Å; W31-L213 HydrophobicContact CH2-CD1 3.98Å; W31-L213 HydrophobicContact CZ3-CD1 4.05Å; A35-L213 HydrophobicContact CB-CD1 4.43Å; A35-L213 HydrophobicContact CB-CD2 4.14Å; Y36-L213 HydrophobicContact CD2-CD2 4.01Å; I185-L213 HydrophobicContact CG2-CD1 4.07Å; I185-L213 HydrophobicContact CG2-CD2 3.86Å; I185-L213 HydrophobicContact CG2-CG 3.62Å; H209-L213 WeakPolarHBondContact O-CB 3.44Å; H209-L213 PolarHBondContact O-N 3.48Å; I210-L213 WeakPolarHBondContact O-CB 3.44Å; I210-L213 PolarHBondContact O-N 2.82Å; L211-L213 VanDerWaalsContact C-N 3.29Å; L211-L213 PolarHBondContact O-N 2.99Å; L213-F215 PolarHBondContact O-N 2.95Å; L213-S216 PolarHBondContact O-OG 3.34Å; L213-S216 VanDerWaalsContact O-OG 3.1Å; L213-A217 WeakPolarHBondContact O-CB 3.36Å; L213-A217 PolarHBondContact O-N 3.19Å |
| 214 | F | 93.3 | Very high | 89.2 | Confident | 30 Ų | 30 | 56.3 Ų | 56.3 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.5 | -53.4 | 176.1 | -173.8 | -104.4 | 0 | 0 | 0 | 112.5 | T186 D189 L190 F193 I210 L211 S218 | T186-F214 HydrophobicContact CG2-CD2 4.39Å; T186-F214 HydrophobicContact CG2-CE2 3.8Å; T186-F214 HydrophobicContact CG2-CZ 4.38Å; D189-F214 HydrophobicContact CB-CD2 4.4Å; D189-F214 WeakPolarHBondContact OD2-CA 3.06Å; D189-F214 VanDerWaalsContact OD2-CB 3.23Å; D189-F214 WeakPolarHBondContact OD2-CB 3.49Å; D189-F214 PolarHBondContact OD2-N 3.24Å; L190-F214 HydrophobicContact CB-CE2 4.04Å; L190-F214 HydrophobicContact CD1-CE2 3.91Å; L190-F214 HydrophobicContact CD1-CZ 3.91Å; F193-F214 HydrophobicContact CD2-CB 4.19Å; F193-F214 AromaticContact CD2-CD1 3.99Å; F193-F214 HydrophobicContact CD2-CD1 3.99Å; F193-F214 HydrophobicContact CD2-CG 4.02Å; F193-F214 HydrophobicContact CE2-CD1 4.03Å; F193-F214 HydrophobicContact CE2-CG 4.49Å; F193-F214 HydrophobicContact CG-CG 4.5Å; I210-F214 PolarHBondContact O-N 3.12Å; L211-F214 PolarHBondContact O-N 3.48Å; F214-S218 VanDerWaalsContact O-CB 3.27Å; F214-S218 WeakPolarHBondContact O-CB 3.2Å; F214-S218 PolarHBondContact O-N 3.31Å; F214-S218 PolarHBondContact O-OG 3Å |
| 215 | F | 93.3 | Very high | 90.5 | Very high | 121 Ų | 121 | 54.1 Ų | 54.1 | 53% | 0.531 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.4 | -43.6 | -176.3 | -74.2 | -63 | 0 | 0 | 0 | 112 | F193 L211 L213 S218 M219 | F193-F215 HydrophobicContact CE2-CE2 4.2Å; F193-F215 HydrophobicContact CE2-CZ 4.22Å; F193-F215 HydrophobicContact CZ-CZ 4.34Å; L211-F215 WeakPolarHBondContact O-CD2 3.4Å; L211-F215 PolarHBondContact O-N 3.04Å; L211-F215 VanDerWaalsContact O-N 3.16Å; L213-F215 PolarHBondContact O-N 2.95Å; F215-S218 PolarHBondContact O-N 3.23Å; F215-M219 WeakPolarHBondContact O-CB 3.26Å; F215-M219 PolarHBondContact O-N 2.97Å |
| 216 | S | 93.9 | Very high | 91.4 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 178.3 | 60.2 | 0 | 0 | 0 | 0 | 111.6 | F212 L213 S218 M219 F220 | F212-S216 WeakPolarHBondContact O-CB 3.32Å; F212-S216 PolarHBondContact O-N 3.46Å; F212-S216 PolarHBondContact O-OG 3.39Å; L213-S216 PolarHBondContact O-OG 3.34Å; L213-S216 VanDerWaalsContact O-OG 3.1Å; S216-S218 VanDerWaalsContact C-N 3.34Å; S216-S218 PolarHBondContact O-N 3.37Å; S216-M219 PolarHBondContact O-N 3.01Å; S216-F220 WeakPolarHBondContact O-CD2 3.23Å; S216-F220 PolarHBondContact O-N 2.82Å |
| 217 | A | 95.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 5% | 0.05 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I185 T186 L213 S221 | I185-A217 HydrophobicContact CB-CB 4.17Å; I185-A217 HydrophobicContact CG2-CB 3.75Å; T186-A217 WeakPolarHBondContact OG1-CB 3.21Å; L213-A217 WeakPolarHBondContact O-CB 3.36Å; L213-A217 PolarHBondContact O-N 3.19Å; A217-S221 WeakPolarHBondContact O-CB 3.37Å; A217-S221 PolarHBondContact O-N 2.84Å; A217-S221 PolarHBondContact O-OG 3.07Å |
| 218 | S | 95.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 178 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | T186 F214 F215 S216 S221 I222 | T186-S218 VanDerWaalsContact CG2-OG 3.31Å; T186-S218 WeakPolarHBondContact CG2-OG 3.47Å; T186-S218 PolarHBondContact OG1-N 2.08Å; T186-S218 PolarHBondContact OG1-OG 3.33Å; F214-S218 VanDerWaalsContact O-CB 3.27Å; F214-S218 WeakPolarHBondContact O-CB 3.2Å; F214-S218 PolarHBondContact O-N 3.31Å; F214-S218 PolarHBondContact O-OG 3Å; F215-S218 PolarHBondContact O-N 3.23Å; S216-S218 VanDerWaalsContact C-N 3.34Å; S216-S218 PolarHBondContact O-N 3.37Å; S218-S221 WeakPolarHBondContact O-CB 3.4Å; S218-S221 PolarHBondContact O-N 2.82Å; S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 3.2Å; S218-I222 VanDerWaalsContact O-N 3.15Å |
| 219 | M | 95.5 | Very high | 93.6 | Very high | 106 Ų | 106 | 53.8 Ų | 53.8 | 52% | 0.522 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 177.1 | -175 | -157.6 | 74.6 | 0 | 0 | 111.8 | F215 S216 S223 | F215-M219 WeakPolarHBondContact O-CB 3.26Å; F215-M219 PolarHBondContact O-N 2.97Å; S216-M219 PolarHBondContact O-N 3.01Å; M219-S223 PolarHBondContact O-N 3.4Å; M219-S223 PolarHBondContact O-OG 3.38Å |
| 220 | F | 95.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 55 Ų | 55 | 26% | 0.263 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 176 | -80.6 | -66 | 0 | 0 | 0 | 111.6 | I28 S216 I222 S223 L224 | I28-F220 HydrophobicContact CD1-CZ 4.37Å; S216-F220 WeakPolarHBondContact O-CD2 3.23Å; S216-F220 PolarHBondContact O-N 2.82Å; F220-I222 PolarHBondContact O-N 2.9Å; F220-S223 PolarHBondContact O-N 3.25Å; F220-L224 HydrophobicContact CB-CD1 4.3Å; F220-L224 VanDerWaalsContact O-CB 3.23Å; F220-L224 WeakPolarHBondContact O-CB 3.3Å; F220-L224 WeakPolarHBondContact O-CD1 3.3Å; F220-L224 WeakPolarHBondContact O-CG 3.29Å; F220-L224 PolarHBondContact O-N 3.2Å |
| 221 | S | 95.8 | Very high | 94.3 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 177.5 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | L179 C182 A217 S218 L224 A225 | L179-S221 WeakPolarHBondContact CD1-O 3.15Å; C182-S221 WeakPolarHBondContact CB-OG 3.32Å; A217-S221 WeakPolarHBondContact O-CB 3.37Å; A217-S221 PolarHBondContact O-N 2.84Å; A217-S221 PolarHBondContact O-OG 3.07Å; S218-S221 WeakPolarHBondContact O-CB 3.4Å; S218-S221 PolarHBondContact O-N 2.82Å; S221-L224 PolarHBondContact O-N 2.98Å; S221-A225 WeakPolarHBondContact O-CB 3.45Å; S221-A225 PolarHBondContact O-N 3.28Å |
| 222 | I | 95.9 | Very high | 94.6 | Very high | 126 Ų | 126 | 55.8 Ų | 55.8 | 65% | 0.646 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.9 | -47.2 | 179.8 | -64.9 | 166.2 | 0 | 0 | 0 | 110.4 | S218 F220 A225 S226 | S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 3.2Å; S218-I222 VanDerWaalsContact O-N 3.15Å; F220-I222 PolarHBondContact O-N 2.9Å; I222-A225 PolarHBondContact O-N 2.79Å; I222-S226 PolarHBondContact O-N 2.89Å; I222-S226 VanDerWaalsContact O-N 3.16Å |
| 223 | S | 95 | Very high | 94.6 | Very high | 65 Ų | 65 | 55 Ų | 55 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 180 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | M219 F220 S226 L227 | M219-S223 PolarHBondContact O-N 3.4Å; M219-S223 PolarHBondContact O-OG 3.38Å; F220-S223 PolarHBondContact O-N 3.25Å; S223-S226 PolarHBondContact O-N 3.13Å; S223-S226 PolarHBondContact O-OG 3.39Å; S223-L227 PolarHBondContact O-N 3.22Å |
| 224 | L | 95.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 179 | -71.3 | 167.7 | 0 | 0 | 0 | 112.2 | L175 L179 F220 S221 L227 F228 | L175-L224 HydrophobicContact CD2-CD2 4.02Å; L179-L224 HydrophobicContact CB-CB 4.41Å; L179-L224 HydrophobicContact CD1-CB 4.4Å; F220-L224 HydrophobicContact CB-CD1 4.3Å; F220-L224 VanDerWaalsContact O-CB 3.23Å; F220-L224 WeakPolarHBondContact O-CB 3.3Å; F220-L224 WeakPolarHBondContact O-CD1 3.3Å; F220-L224 WeakPolarHBondContact O-CG 3.29Å; F220-L224 PolarHBondContact O-N 3.2Å; S221-L224 PolarHBondContact O-N 2.98Å; L224-L227 PolarHBondContact O-N 3.32Å; L224-F228 WeakPolarHBondContact O-CB 3.41Å; L224-F228 PolarHBondContact O-N 3.08Å |
| 225 | A | 96.6 | Very high | 94.5 | Very high | 27 Ų | 27 | 53.7 Ų | 53.7 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L179 S221 I222 L227 F228 I229 | L179-A225 HydrophobicContact CD1-CB 3.95Å; L179-A225 HydrophobicContact CD2-CB 4.26Å; S221-A225 WeakPolarHBondContact O-CB 3.45Å; S221-A225 PolarHBondContact O-N 3.28Å; I222-A225 PolarHBondContact O-N 2.79Å; A225-L227 PolarHBondContact O-N 3.26Å; A225-F228 PolarHBondContact O-N 2.84Å; A225-I229 WeakPolarHBondContact O-CB 3.49Å; A225-I229 WeakPolarHBondContact O-CD1 3.34Å; A225-I229 WeakPolarHBondContact O-CG1 3.23Å; A225-I229 PolarHBondContact O-N 3.42Å |
| 226 | S | 95.4 | Very high | 94.2 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 178.1 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | I222 S223 Y230 | I222-S226 PolarHBondContact O-N 2.89Å; I222-S226 VanDerWaalsContact O-N 3.16Å; S223-S226 PolarHBondContact O-N 3.13Å; S223-S226 PolarHBondContact O-OG 3.39Å; S226-Y230 WeakPolarHBondContact O-CB 3.2Å; S226-Y230 PolarHBondContact O-N 3.49Å |
| 227 | L | 94.4 | Very high | 93.8 | Very high | 68 Ų | 68 | 52.8 Ų | 52.8 | 36% | 0.356 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 179.2 | -176.6 | 61.5 | 0 | 0 | 0 | 111.6 | L175 S223 L224 A225 Y230 H231 | L175-L227 HydrophobicContact CD1-CD2 4.21Å; L175-L227 HydrophobicContact CD1-CG 3.99Å; L175-L227 HydrophobicContact CD2-CD2 3.74Å; L175-L227 HydrophobicContact CD2-CG 4.32Å; S223-L227 PolarHBondContact O-N 3.22Å; L224-L227 PolarHBondContact O-N 3.32Å; A225-L227 PolarHBondContact O-N 3.26Å; L227-Y230 PolarHBondContact O-N 2.59Å; L227-H231 PolarHBondContact O-CD2 3.35Å; L227-H231 VanDerWaalsContact O-CD2 3.29Å; L227-H231 PolarHBondContact O-N 2.96Å |
| 228 | F | 95.9 | Very high | 93.4 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 178.2 | -177.8 | -112.8 | 0 | 0 | 0 | 111.7 | M172 L175 A176 L179 L224 A225 Y230 H231 C232 | M172-F228 HydrophobicContact CE-CD2 4.43Å; M172-F228 HydrophobicContact CE-CE2 4.06Å; L175-F228 HydrophobicContact CB-CB 4.42Å; L175-F228 HydrophobicContact CB-CD2 3.83Å; A176-F228 HydrophobicContact CB-CD2 4.41Å; A176-F228 HydrophobicContact CB-CE2 3.68Å; A176-F228 HydrophobicContact CB-CZ 3.92Å; L179-F228 HydrophobicContact CD2-CD1 4.16Å; L224-F228 WeakPolarHBondContact O-CB 3.41Å; L224-F228 PolarHBondContact O-N 3.08Å; A225-F228 PolarHBondContact O-N 2.84Å; F228-Y230 VanDerWaalsContact C-N 3.32Å; F228-Y230 PolarHBondContact O-N 2.94Å; F228-H231 PolarHBondContact O-N 2.88Å; F228-C232 VanDerWaalsContact CZ-SG 3.55Å; F228-C232 WeakPolarHBondContact O-CB 3.33Å; F228-C232 PolarHBondContact O-N 3.37Å; F228-C232 PolarHBondContact O-SG 3.42Å |
| 229 | I | 95.3 | Very high | 92.9 | Very high | 117 Ų | 117 | 53.3 Ų | 53.3 | 60% | 0.6 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 176.5 | -69.5 | 165 | 0 | 0 | 0 | 110.5 | A225 C232 W233 | A225-I229 WeakPolarHBondContact O-CB 3.49Å; A225-I229 WeakPolarHBondContact O-CD1 3.34Å; A225-I229 WeakPolarHBondContact O-CG1 3.23Å; A225-I229 PolarHBondContact O-N 3.42Å; I229-C232 WeakPolarHBondContact O-CB 3.25Å; I229-C232 PolarHBondContact O-N 3.27Å; I229-W233 PolarHBondContact O-N 3.08Å |
| 230 | Y | 93.3 | Very high | 92.1 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 26% | 0.255 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 176.2 | 177.9 | -106.4 | 0 | 0 | 0 | 111.9 | S226 L227 F228 C232 W233 L234 T241 S244 E245 | S226-Y230 WeakPolarHBondContact O-CB 3.2Å; S226-Y230 PolarHBondContact O-N 3.49Å; L227-Y230 PolarHBondContact O-N 2.59Å; F228-Y230 VanDerWaalsContact C-N 3.32Å; F228-Y230 PolarHBondContact O-N 2.94Å; Y230-C232 PolarHBondContact O-N 2.96Å; Y230-W233 WeakPolarHBondContact O-CB 3.39Å; Y230-W233 PolarHBondContact O-N 3.16Å; Y230-L234 HydrophobicContact CD1-CD1 3.9Å; Y230-L234 HydrophobicContact CD1-CG 4.4Å; Y230-L234 HydrophobicContact CE1-CD1 3.46Å; Y230-L234 VanDerWaalsContact CE1-CD1 3.46Å; Y230-L234 HydrophobicContact CE1-CG 4.1Å; Y230-L234 WeakPolarHBondContact O-CG 3.43Å; Y230-L234 PolarHBondContact O-N 3.47Å; Y230-T241 HydrophobicContact CE1-CG2 4.16Å; Y230-S244 PolarHBondContact OH-OG 3.14Å; Y230-E245 PolarHBondContact OH-OE1 2.74Å |
| 231 | H | 94.3 | Very high | 91 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.2 | -32.6 | 179.1 | -83.9 | -78 | 0 | 0 | 0 | 113.6 | D153 Y168 F171 M172 L227 F228 W233 L234 V235 | D153-H231 IonicContact OD2-CE1 2.75Å; D153-H231 PolarHBondContact OD2-CE1 3.17Å; Y168-H231 AromaticContact CE2-ND1 3.95Å; Y168-H231 PolarHBondContact OH-ND1 3.23Å; F171-H231 AromaticContact CE1-CD2 3.89Å; F171-H231 AromaticContact CE1-CE1 3.81Å; F171-H231 AromaticContact CE1-NE2 3.6Å; M172-H231 HydrophobicContact CE-CB 4.11Å; M172-H231 HydrophobicContact SD-CB 3.56Å; M172-H231 VanDerWaalsContact SD-CB 3.56Å; L227-H231 PolarHBondContact O-CD2 3.35Å; L227-H231 VanDerWaalsContact O-CD2 3.29Å; L227-H231 PolarHBondContact O-N 2.96Å; F228-H231 PolarHBondContact O-N 2.88Å; H231-W233 VanDerWaalsContact C-N 3.33Å; H231-L234 WeakPolarHBondContact O-CB 3.43Å; H231-L234 PolarHBondContact O-N 2.8Å; H231-V235 WeakPolarHBondContact O-CG2 3.28Å; H231-V235 PolarHBondContact O-N 2.71Å |
| 232 | C | 94.1 | Very high | 89.8 | Confident | 42 Ų | 42 | 48 Ų | 48 | 28% | 0.284 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 169.4 | -77.3 | 0 | 0 | 0 | 0 | 110.2 | F228 I229 Y230 L234 V235 C236 | F228-C232 VanDerWaalsContact CZ-SG 3.55Å; F228-C232 WeakPolarHBondContact O-CB 3.33Å; F228-C232 PolarHBondContact O-N 3.37Å; F228-C232 PolarHBondContact O-SG 3.42Å; I229-C232 WeakPolarHBondContact O-CB 3.25Å; I229-C232 PolarHBondContact O-N 3.27Å; Y230-C232 PolarHBondContact O-N 2.96Å; C232-L234 VanDerWaalsContact C-N 3.32Å; C232-L234 PolarHBondContact O-N 3.38Å; C232-V235 PolarHBondContact O-N 2.96Å; C232-C236 PolarHBondContact O-N 3.24Å; C232-C236 PolarHBondContact O-SG 3.38Å |
| 233 | W | 92.6 | Very high | 88.3 | Confident | 108 Ų | 108 | 42.3 Ų | 42.3 | 41% | 0.409 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.3 | -40.5 | 175.1 | 176.1 | 88.4 | 0 | 0 | 0 | 112.8 | I229 Y230 H231 C236 K237 S244 | I229-W233 PolarHBondContact O-N 3.08Å; Y230-W233 WeakPolarHBondContact O-CB 3.39Å; Y230-W233 PolarHBondContact O-N 3.16Å; H231-W233 VanDerWaalsContact C-N 3.33Å; W233-C236 PolarHBondContact O-N 2.8Å; W233-K237 HydrophobicContact CZ2-CG 4.36Å; W233-K237 PolarHBondContact O-N 2.94Å; W233-K237 VanDerWaalsContact O-N 3.12Å; W233-S244 WeakPolarHBondContact CZ3-OG 3.27Å |
| 234 | L | 91 | Very high | 86.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.1 | -70.9 | 178.7 | 0 | 0 | 0 | 112.7 | Y230 H231 C232 C236 K237 N238 R239 T241 | Y230-L234 HydrophobicContact CD1-CD1 3.9Å; Y230-L234 HydrophobicContact CD1-CG 4.4Å; Y230-L234 HydrophobicContact CE1-CD1 3.46Å; Y230-L234 VanDerWaalsContact CE1-CD1 3.46Å; Y230-L234 HydrophobicContact CE1-CG 4.1Å; Y230-L234 WeakPolarHBondContact O-CG 3.43Å; Y230-L234 PolarHBondContact O-N 3.47Å; H231-L234 WeakPolarHBondContact O-CB 3.43Å; H231-L234 PolarHBondContact O-N 2.8Å; C232-L234 VanDerWaalsContact C-N 3.32Å; C232-L234 PolarHBondContact O-N 3.38Å; L234-C236 VanDerWaalsContact C-N 3.32Å; L234-C236 PolarHBondContact O-N 2.82Å; L234-K237 CarbonylContact O-C 3.54Å; L234-K237 PolarHBondContact O-N 2.87Å; L234-N238 PolarHBondContact O-N 3.35Å; L234-R239 HydrophobicContact CD2-CB 3.93Å; L234-R239 PolarHBondContact O-N 3.31Å; L234-T241 WeakPolarHBondContact CD1-OG1 3.33Å |
| 235 | V | 90.5 | Very high | 84.8 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -48 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 109.8 | Y168 M172 H231 C232 K237 N238 N268 F269 V272 | Y168-V235 HydrophobicContact CE1-CG2 3.76Å; M172-V235 HydrophobicContact CE-CG2 4.01Å; M172-V235 HydrophobicContact CG-CG2 4.47Å; M172-V235 HydrophobicContact SD-CG2 4.1Å; H231-V235 WeakPolarHBondContact O-CG2 3.28Å; H231-V235 PolarHBondContact O-N 2.71Å; C232-V235 PolarHBondContact O-N 2.96Å; V235-K237 PolarHBondContact O-N 2.94Å; V235-N238 PolarHBondContact O-N 2.96Å; V235-N268 VanDerWaalsContact O-CB 3.32Å; V235-N268 WeakPolarHBondContact O-CB 3.44Å; V235-F269 HydrophobicContact CG1-CB 4.49Å; V235-F269 HydrophobicContact CG1-CD2 4.08Å; V235-V272 HydrophobicContact CG1-CG2 4.44Å |
| 236 | C | 88.2 | Confident | 82.8 | Confident | 31 Ų | 31 | 46 Ų | 46 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -29.7 | -178.9 | -62 | 0 | 0 | 0 | 0 | 113.2 | C232 W233 L234 F265 N268 | C232-C236 PolarHBondContact O-N 3.24Å; C232-C236 PolarHBondContact O-SG 3.38Å; W233-C236 PolarHBondContact O-N 2.8Å; L234-C236 VanDerWaalsContact C-N 3.32Å; L234-C236 PolarHBondContact O-N 2.82Å; C236-F265 HydrophobicContact CB-CD2 3.64Å; C236-F265 HydrophobicContact CB-CE2 3.68Å; C236-F265 WeakPolarHBondContact SG-CE2 3.46Å; C236-N268 PolarHBondContact O-ND2 2.96Å |
| 237 | K | 85.4 | Confident | 81 | Confident | 89 Ų | 89 | 47.3 Ų | 47.3 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -96.2 | -1.5 | 176.5 | -63.6 | -65.3 | -174.5 | -179.6 | 0 | 113.9 | W233 L234 V235 R239 | W233-K237 HydrophobicContact CZ2-CG 4.36Å; W233-K237 PolarHBondContact O-N 2.94Å; W233-K237 VanDerWaalsContact O-N 3.12Å; L234-K237 CarbonylContact O-C 3.54Å; L234-K237 PolarHBondContact O-N 2.87Å; V235-K237 PolarHBondContact O-N 2.94Å; K237-R239 HydrophobicContact CB-CG 3.95Å; K237-R239 PolarHBondContact O-N 2.96Å |
| 238 | N | 86.8 | Confident | 79.6 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 40.4 | -170.2 | -160.7 | -3.1 | 0 | 0 | 0 | 113.8 | R138 L234 V235 F261 N268 | R138-N238 PolarHBondContact NH1-O 3.06Å; R138-N238 PolarHBondContact NH1-OD1 3.25Å; R138-N238 PolarHBondContact NH2-O 3.29Å; L234-N238 PolarHBondContact O-N 3.35Å; V235-N238 PolarHBondContact O-N 2.96Å; N238-F261 PolarHBondContact ND2-O 3.32Å; N238-N268 HydrophobicContact CB-CB 3.97Å; N238-N268 WeakPolarHBondContact CB-OD1 3.48Å |
| 239 | R | 84.3 | Confident | 78.4 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | trans | -103.9 | 152.6 | 177.3 | -64.8 | 179.6 | -176.6 | 177 | 2 | 110.3 | L234 K237 V243 K258 N259 | L234-R239 HydrophobicContact CD2-CB 3.93Å; L234-R239 PolarHBondContact O-N 3.31Å; K237-R239 HydrophobicContact CB-CG 3.95Å; K237-R239 PolarHBondContact O-N 2.96Å; R239-V243 HydrophobicContact CB-CG1 4.46Å; R239-V243 HydrophobicContact CG-CG1 4.33Å; R239-K258 PolarHBondContact NE-O 3.38Å; R239-N259 PolarHBondContact NH2-OD1 2.86Å | ||
| 240 | S | 78.3 | Confident | 77.5 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | -97 | 161 | 162 | 54.7 | 0 | 0 | 0 | 0 | 109.5 | D153 L242 V243 S244 | D153-S240 WeakPolarHBondContact OD1-CA 3.33Å; D153-S240 VanDerWaalsContact OD1-CB 3.29Å; D153-S240 WeakPolarHBondContact OD1-CB 3.31Å; S240-L242 PolarHBondContact O-N 3.46Å; S240-V243 WeakPolarHBondContact O-CA 3.46Å; S240-V243 WeakPolarHBondContact O-CB 3.34Å; S240-V243 PolarHBondContact O-N 3.37Å; S240-V243 WeakPolarHBondContact OG-CG2 3.14Å; S240-S244 PolarHBondContact O-N 2.82Å | ||
| 241 | T | 72.4 | Confident | 77.1 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 18% | 0.178 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.4 | -40.8 | 177 | -54 | 0 | 0 | 0 | 0 | 111.2 | D153 Y230 L234 V243 S244 E245 | D153-T241 VanDerWaalsContact CG-OG1 3.32Å; D153-T241 PolarHBondContact OD1-N 3.5Å; D153-T241 PolarHBondContact OD1-OG1 3.25Å; D153-T241 WeakPolarHBondContact OD2-CB 3.29Å; D153-T241 PolarHBondContact OD2-OG1 2.83Å; Y230-T241 HydrophobicContact CE1-CG2 4.16Å; L234-T241 WeakPolarHBondContact CD1-OG1 3.33Å; T241-V243 VanDerWaalsContact C-N 3.27Å; T241-V243 PolarHBondContact O-N 3.45Å; T241-S244 PolarHBondContact O-N 2.75Å; T241-S244 VanDerWaalsContact O-N 3.17Å; T241-E245 HydrophobicContact CG2-CG 4.36Å; T241-E245 WeakPolarHBondContact O-CG 3.37Å; T241-E245 PolarHBondContact O-N 2.98Å |
| 242 | L | 70.4 | Confident | 76.6 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -33.5 | 175 | -63.7 | 177.4 | 0 | 0 | 0 | 114.4 | H140 M152 D153 S240 R248 | H140-L242 HydrophobicContact CB-CD1 4.24Å; M152-L242 HydrophobicContact CB-CD1 4.25Å; M152-L242 HydrophobicContact CG-CD1 4.22Å; M152-L242 HydrophobicContact SD-CD1 4.44Å; D153-L242 WeakPolarHBondContact O-CG 3.24Å; S240-L242 PolarHBondContact O-N 3.46Å; L242-R248 PolarHBondContact O-N 3.4Å |
| 243 | V | 64 | Low | 75.9 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -82 | -34.2 | 179.2 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | R239 S240 T241 A246 P250 | R239-V243 HydrophobicContact CB-CG1 4.46Å; R239-V243 HydrophobicContact CG-CG1 4.33Å; S240-V243 WeakPolarHBondContact O-CA 3.46Å; S240-V243 WeakPolarHBondContact O-CB 3.34Å; S240-V243 PolarHBondContact O-N 3.37Å; S240-V243 WeakPolarHBondContact OG-CG2 3.14Å; T241-V243 VanDerWaalsContact C-N 3.27Å; T241-V243 PolarHBondContact O-N 3.45Å; V243-A246 PolarHBondContact O-N 2.88Å; V243-P250 HydrophobicContact CG1-CG 4.44Å |
| 244 | S | 58.3 | Low | 75.2 | Confident | 22 Ų | 22 | 47 Ų | 47 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.6 | -46.4 | -179.8 | -173.7 | 0 | 0 | 0 | 0 | 112.9 | Y230 W233 S240 T241 A246 | Y230-S244 PolarHBondContact OH-OG 3.14Å; W233-S244 WeakPolarHBondContact CZ3-OG 3.27Å; S240-S244 PolarHBondContact O-N 2.82Å; T241-S244 PolarHBondContact O-N 2.75Å; T241-S244 VanDerWaalsContact O-N 3.17Å; S244-A246 PolarHBondContact O-N 3.18Å |
| 245 | E | 58.7 | Low | 74.9 | Confident | 120 Ų | 120 | 48.3 Ų | 48.3 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 8 | 177.8 | -64 | -56.8 | 127.1 | 0 | 0 | 113.3 | Y230 T241 V247 | Y230-E245 PolarHBondContact OH-OE1 2.74Å; T241-E245 HydrophobicContact CG2-CG 4.36Å; T241-E245 WeakPolarHBondContact O-CG 3.37Å; T241-E245 PolarHBondContact O-N 2.98Å; E245-V247 HydrophobicContact CB-CG2 4.16Å; E245-V247 WeakPolarHBondContact O-CG2 3.05Å; E245-V247 PolarHBondContact O-N 3.27Å |
| 246 | A | 55.3 | Low | 74.5 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 45% | 0.446 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 57.4 | -4.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | V243 S244 R248 | V243-A246 PolarHBondContact O-N 2.88Å; S244-A246 PolarHBondContact O-N 3.18Å; A246-R248 PolarHBondContact O-N 2.99Å; A246-R248 VanDerWaalsContact O-N 3.17Å |
| 247 | V | 58.3 | Low | 74.3 | Confident | 107 Ų | 107 | 52.7 Ų | 52.7 | 65% | 0.648 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -29.7 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | E245 | E245-V247 HydrophobicContact CB-CG2 4.16Å; E245-V247 WeakPolarHBondContact O-CG2 3.05Å; E245-V247 PolarHBondContact O-N 3.27Å |
| 248 | R | 65.5 | Low | 74.1 | Confident | 107 Ų | 107 | 52.9 Ų | 52.9 | 40% | 0.404 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.8 | 42.4 | -175.9 | -56.2 | -174.8 | -178.3 | 145.5 | 2 | 113 | L242 A246 | L242-R248 PolarHBondContact O-N 3.4Å; A246-R248 PolarHBondContact O-N 2.99Å; A246-R248 VanDerWaalsContact O-N 3.17Å |
| 249 | A | 70.6 | Confident | 74 | Confident | 12 Ų | 12 | 55.9 Ų | 55.9 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | trans | -53.5 | 134.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | V251 T256 K258 | A249-V251 PolarHBondContact O-N 3.49Å; A249-T256 HydrophobicContact CB-CG2 3.61Å; A249-K258 HydrophobicContact CB-CG 4.3Å | ||
| 250 | P | 76 | Confident | 74 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | trans | -67.7 | 126.8 | -177.7 | 26.7 | -32.3 | 0 | 0 | 0 | 109.7 | T118 V243 F252 D257 F261 | T118-P250 HydrophobicContact CG2-CB 3.8Å; V243-P250 HydrophobicContact CG1-CG 4.44Å; P250-F252 HydrophobicContact CB-CD2 4.4Å; P250-F252 HydrophobicContact CB-CE2 3.76Å; P250-F252 HydrophobicContact CB-CZ 4.16Å; P250-F252 HydrophobicContact CG-CE2 3.77Å; P250-F252 HydrophobicContact CG-CZ 4.32Å; P250-D257 WeakPolarHBondContact CG-O 3.16Å; P250-D257 PolarHBondContact O-N 2.77Å; P250-D257 VanDerWaalsContact O-N 3.17Å; P250-F261 HydrophobicContact CB-CE2 3.9Å; P250-F261 HydrophobicContact CG-CD2 4.31Å; P250-F261 HydrophobicContact CG-CE2 4.03Å | ||
| 251 | V | 84.1 | Confident | 74.4 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 109.9 | 174.6 | -175.5 | 0 | 0 | 0 | 0 | 107.2 | T118 R119 N121 A249 | T118-V251 CarbonylContact C-O 3.49Å; T118-V251 VanDerWaalsContact CA-O 3.29Å; T118-V251 WeakPolarHBondContact CA-O 3.19Å; R119-V251 PolarHBondContact N-O 3.31Å; N121-V251 WeakPolarHBondContact OD1-CG2 3.48Å; A249-V251 PolarHBondContact O-N 3.49Å |
| 252 | F | 84.4 | Confident | 75.1 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 176.1 | 173.2 | -64.1 | -90.8 | 0 | 0 | 0 | 109.5 | T118 P250 H254 G255 D257 F261 T296 | T118-F252 HydrophobicContact CG2-CD1 4.34Å; T118-F252 HydrophobicContact CG2-CE1 4.03Å; T118-F252 HydrophobicContact CG2-CZ 4.24Å; P250-F252 HydrophobicContact CB-CD2 4.4Å; P250-F252 HydrophobicContact CB-CE2 3.76Å; P250-F252 HydrophobicContact CB-CZ 4.16Å; P250-F252 HydrophobicContact CG-CE2 3.77Å; P250-F252 HydrophobicContact CG-CZ 4.32Å; F252-H254 WeakPolarHBondContact CB-CE1 3.08Å; F252-H254 AromaticContact CD2-CE1 3.87Å; F252-H254 AromaticContact CG-CE1 3.81Å; F252-H254 AromaticContact CG-NE2 3.93Å; F252-H254 PolarHBondContact O-N 2.93Å; F252-G255 PolarHBondContact N-O 3.08Å; F252-G255 PolarHBondContact O-N 3.37Å; F252-D257 HydrophobicContact CD2-CB 3.97Å; F252-D257 HydrophobicContact CE2-CB 4.2Å; F252-D257 WeakPolarHBondContact CE2-O 3.14Å; F252-F261 HydrophobicContact CE1-CE1 4.28Å; F252-F261 HydrophobicContact CE1-CE2 4.32Å; F252-F261 AromaticContact CE1-CZ 3.96Å; F252-F261 HydrophobicContact CE1-CZ 3.96Å; F252-F261 HydrophobicContact CE2-CE2 4.45Å; F252-F261 HydrophobicContact CZ-CD2 4.01Å; F252-F261 HydrophobicContact CZ-CE1 4.22Å; F252-F261 AromaticContact CZ-CE2 3.61Å; F252-F261 HydrophobicContact CZ-CE2 3.61Å; F252-F261 HydrophobicContact CZ-CG 4.47Å; F252-F261 AromaticContact CZ-CZ 3.73Å; F252-F261 HydrophobicContact CZ-CZ 3.73Å; F252-T296 HydrophobicContact CE1-CG2 3.93Å |
| 253 | R | 78.1 | Confident | 75.9 | Confident | 169 Ų | 169 | 55.2 Ų | 55.2 | 64% | 0.638 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -36 | 176.5 | -76.7 | -177.8 | 164.4 | -172.8 | -10.5 | 113.2 | G255 D302 | R253-G255 PolarHBondContact O-N 3.17Å; R253-D302 IonicContact CZ-OD2 3.78Å; R253-D302 IonicContact NH1-OD1 2.89Å; R253-D302 IonicContact NH1-OD2 3.51Å; R253-D302 PolarHBondContact NH1-OD2 3.45Å |
| 254 | H | 79.1 | Confident | 77.1 | Confident | 111 Ų | 111 | 56.5 Ų | 56.5 | 51% | 0.514 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 6.7 | 176.7 | 60.3 | 48.3 | 0 | 0 | 0 | 113.7 | F252 L298 | F252-H254 WeakPolarHBondContact CB-CE1 3.08Å; F252-H254 AromaticContact CD2-CE1 3.87Å; F252-H254 AromaticContact CG-CE1 3.81Å; F252-H254 AromaticContact CG-NE2 3.93Å; F252-H254 PolarHBondContact O-N 2.93Å; H254-L298 WeakPolarHBondContact CD2-CD1 3.49Å; H254-L298 WeakPolarHBondContact NE2-CD1 3.35Å |
| 255 | G | 83.3 | Confident | 78.5 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.5 | -171.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F252 R253 D257 | F252-G255 PolarHBondContact N-O 3.08Å; F252-G255 PolarHBondContact O-N 3.37Å; R253-G255 PolarHBondContact O-N 3.17Å; G255-D257 PolarHBondContact O-N 3.08Å |
| 256 | T | 84.1 | Confident | 80 | Confident | 92 Ų | 92 | 60.7 Ų | 60.7 | 56% | 0.564 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 119.7 | -174.5 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | A249 | A249-T256 HydrophobicContact CB-CG2 3.61Å |
| 257 | D | 82.9 | Confident | 81.7 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 20% | 0.198 | 33% | 0.333 | C | S | . | . | trans | -132.8 | 109.1 | 175.6 | -178.1 | 8.6 | 0 | 0 | 0 | 111.9 | P250 F252 G255 N259 G260 | P250-D257 WeakPolarHBondContact CG-O 3.16Å; P250-D257 PolarHBondContact O-N 2.77Å; P250-D257 VanDerWaalsContact O-N 3.17Å; F252-D257 HydrophobicContact CD2-CB 3.97Å; F252-D257 HydrophobicContact CE2-CB 4.2Å; F252-D257 WeakPolarHBondContact CE2-O 3.14Å; G255-D257 PolarHBondContact O-N 3.08Å; D257-N259 PolarHBondContact O-N 3.22Å; D257-N259 WeakPolarHBondContact OD1-CA 3.45Å; D257-N259 WeakPolarHBondContact OD1-CB 3.4Å; D257-N259 PolarHBondContact OD1-N 3.33Å; D257-G260 PolarHBondContact O-N 2.54Å; D257-G260 PolarHBondContact OD1-N 3.09Å; D257-G260 VanDerWaalsContact OD2-CA 3.31Å; D257-G260 WeakPolarHBondContact OD2-CA 3.23Å; D257-G260 PolarHBondContact OD2-N 3.45Å | ||
| 258 | K | 81 | Confident | 83.3 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 40% | 0.404 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -16.3 | 177.5 | -62.2 | -176.3 | -178.8 | -177.3 | 0 | 113.3 | R239 A249 | R239-K258 PolarHBondContact NE-O 3.38Å; A249-K258 HydrophobicContact CB-CG 4.3Å |
| 259 | N | 84.1 | Confident | 84.6 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 5.4 | -179.9 | -64.2 | -45.7 | 0 | 0 | 0 | 113.2 | R239 D257 F261 S262 | R239-N259 PolarHBondContact NH2-OD1 2.86Å; D257-N259 PolarHBondContact O-N 3.22Å; D257-N259 WeakPolarHBondContact OD1-CA 3.45Å; D257-N259 WeakPolarHBondContact OD1-CB 3.4Å; D257-N259 PolarHBondContact OD1-N 3.33Å; N259-F261 PolarHBondContact O-N 2.92Å; N259-S262 WeakPolarHBondContact O-CB 3.49Å; N259-S262 PolarHBondContact O-N 3.17Å |
| 260 | G | 84.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D257 T296 C297 | D257-G260 PolarHBondContact O-N 2.54Å; D257-G260 PolarHBondContact OD1-N 3.09Å; D257-G260 VanDerWaalsContact OD2-CA 3.31Å; D257-G260 WeakPolarHBondContact OD2-CA 3.23Å; D257-G260 PolarHBondContact OD2-N 3.45Å; G260-T296 CarbonylContact O-C 3.55Å; G260-T296 WeakPolarHBondContact O-CA 3.45Å; G260-T296 WeakPolarHBondContact O-CB 3.48Å; G260-C297 PolarHBondContact O-N 3.26Å |
| 261 | F | 87.5 | Confident | 86.6 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 3.6 | 173.6 | -61.9 | -70.1 | 0 | 0 | 0 | 114.1 | T118 D137 R138 N238 P250 F252 N259 F294 T296 | T118-F261 HydrophobicContact CG2-CE2 4.13Å; T118-F261 HydrophobicContact CG2-CZ 3.75Å; D137-F261 HydrophobicContact CB-CE1 4.42Å; D137-F261 HydrophobicContact CB-CZ 4.04Å; R138-F261 HydrophobicContact CG-CD2 4.17Å; R138-F261 HydrophobicContact CG-CE2 3.72Å; R138-F261 HydrophobicContact CG-CZ 3.93Å; N238-F261 PolarHBondContact ND2-O 3.32Å; P250-F261 HydrophobicContact CB-CE2 3.9Å; P250-F261 HydrophobicContact CG-CD2 4.31Å; P250-F261 HydrophobicContact CG-CE2 4.03Å; F252-F261 HydrophobicContact CE1-CE1 4.28Å; F252-F261 HydrophobicContact CE1-CE2 4.32Å; F252-F261 AromaticContact CE1-CZ 3.96Å; F252-F261 HydrophobicContact CE1-CZ 3.96Å; F252-F261 HydrophobicContact CE2-CE2 4.45Å; F252-F261 HydrophobicContact CZ-CD2 4.01Å; F252-F261 HydrophobicContact CZ-CE1 4.22Å; F252-F261 AromaticContact CZ-CE2 3.61Å; F252-F261 HydrophobicContact CZ-CE2 3.61Å; F252-F261 HydrophobicContact CZ-CG 4.47Å; F252-F261 AromaticContact CZ-CZ 3.73Å; F252-F261 HydrophobicContact CZ-CZ 3.73Å; N259-F261 PolarHBondContact O-N 2.92Å; F261-F294 HydrophobicContact CD1-CB 3.81Å; F261-F294 HydrophobicContact CE1-CB 3.95Å; F261-T296 HydrophobicContact CD1-CG2 3.99Å; F261-T296 HydrophobicContact CE1-CG2 3.84Å |
| 262 | S | 87.8 | Confident | 87.1 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | trans | -81.2 | 125.9 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | N259 N268 C297 | N259-S262 WeakPolarHBondContact O-CB 3.49Å; N259-S262 PolarHBondContact O-N 3.17Å; S262-N268 PolarHBondContact OG-ND2 3.26Å; S262-C297 WeakPolarHBondContact O-CB 3.23Å | ||
| 263 | L | 87.1 | Confident | 87.6 | Confident | 45 Ų | 45 | 58.3 Ų | 58.3 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | trans | -111.1 | 8.5 | -178.1 | -53.1 | 174.3 | 0 | 0 | 0 | 112.6 | K267 N268 Q271 P295 | L263-K267 HydrophobicContact CB-CB 3.75Å; L263-K267 HydrophobicContact CB-CD 4.18Å; L263-N268 PolarHBondContact N-OD1 3.2Å; L263-Q271 HydrophobicContact CD1-CG 4.45Å; L263-P295 HydrophobicContact CD1-CB 3.73Å; L263-P295 HydrophobicContact CD1-CG 3.78Å; L263-P295 HydrophobicContact CD2-CB 4.05Å; L263-P295 HydrophobicContact CG-CB 4.49Å | ||
| 264 | G | 88 | Confident | 88.3 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | trans | 97.1 | 155.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T266 K267 N268 | G264-T266 PolarHBondContact O-N 3.03Å; G264-K267 PolarHBondContact O-N 3.02Å; G264-N268 VanDerWaalsContact O-CB 3.31Å; G264-N268 WeakPolarHBondContact O-CB 3.48Å; G264-N268 PolarHBondContact O-N 2.79Å; G264-N268 PolarHBondContact O-ND2 3.5Å; G264-N268 PolarHBondContact O-OD1 3.19Å | ||
| 265 | F | 87.6 | Confident | 89 | Confident | 132 Ų | 132 | 49.1 Ų | 49.1 | 58% | 0.579 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -50.7 | -53.6 | -169.7 | -178.9 | -86.5 | 0 | 0 | 0 | 113.4 | C236 N268 F269 | C236-F265 HydrophobicContact CB-CD2 3.64Å; C236-F265 HydrophobicContact CB-CE2 3.68Å; C236-F265 WeakPolarHBondContact SG-CE2 3.46Å; F265-N268 PolarHBondContact O-N 3.44Å; F265-F269 PolarHBondContact O-N 2.78Å |
| 266 | T | 90 | Very high | 89.6 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 60% | 0.601 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.8 | -49.2 | -177 | -49.5 | 0 | 0 | 0 | 0 | 111.6 | G264 N268 F269 L270 | G264-T266 PolarHBondContact O-N 3.03Å; T266-N268 VanDerWaalsContact C-N 3.28Å; T266-N268 PolarHBondContact O-N 2.91Å; T266-F269 WeakPolarHBondContact O-CB 3.29Å; T266-F269 PolarHBondContact O-N 3.04Å; T266-L270 HydrophobicContact CG2-CD1 4.25Å; T266-L270 VanDerWaalsContact O-CG 3.32Å; T266-L270 WeakPolarHBondContact O-CG 3.38Å; T266-L270 PolarHBondContact O-N 2.69Å |
| 267 | K | 91.6 | Very high | 90 | Very high | 133 Ų | 133 | 50.8 Ų | 50.8 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.2 | -37.6 | 179.8 | -67.6 | -174.3 | -178.8 | 177.1 | 0 | 111.4 | L263 G264 F269 L270 Q271 | L263-K267 HydrophobicContact CB-CB 3.75Å; L263-K267 HydrophobicContact CB-CD 4.18Å; G264-K267 PolarHBondContact O-N 3.02Å; K267-F269 PolarHBondContact O-N 2.87Å; K267-L270 PolarHBondContact O-N 3.17Å; K267-Q271 VanDerWaalsContact O-CG 3.27Å; K267-Q271 WeakPolarHBondContact O-CG 3.36Å; K267-Q271 PolarHBondContact O-N 3.5Å |
| 268 | N | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 176.4 | -67.1 | -16.2 | 0 | 0 | 0 | 112.2 | V235 C236 N238 S262 L263 G264 F265 T266 Q271 | V235-N268 VanDerWaalsContact O-CB 3.32Å; V235-N268 WeakPolarHBondContact O-CB 3.44Å; C236-N268 PolarHBondContact O-ND2 2.96Å; N238-N268 HydrophobicContact CB-CB 3.97Å; N238-N268 WeakPolarHBondContact CB-OD1 3.48Å; S262-N268 PolarHBondContact OG-ND2 3.26Å; L263-N268 PolarHBondContact N-OD1 3.2Å; G264-N268 VanDerWaalsContact O-CB 3.31Å; G264-N268 WeakPolarHBondContact O-CB 3.48Å; G264-N268 PolarHBondContact O-N 2.79Å; G264-N268 PolarHBondContact O-ND2 3.5Å; G264-N268 PolarHBondContact O-OD1 3.19Å; F265-N268 PolarHBondContact O-N 3.44Å; T266-N268 VanDerWaalsContact C-N 3.28Å; T266-N268 PolarHBondContact O-N 2.91Å; N268-Q271 PolarHBondContact O-N 2.99Å |
| 269 | F | 93.1 | Very high | 91.3 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 24% | 0.241 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 174.5 | -177 | -91.7 | 0 | 0 | 0 | 111.7 | V235 F265 T266 K267 Q271 V272 F273 W280 | V235-F269 HydrophobicContact CG1-CB 4.49Å; V235-F269 HydrophobicContact CG1-CD2 4.08Å; F265-F269 PolarHBondContact O-N 2.78Å; T266-F269 WeakPolarHBondContact O-CB 3.29Å; T266-F269 PolarHBondContact O-N 3.04Å; K267-F269 PolarHBondContact O-N 2.87Å; F269-Q271 VanDerWaalsContact C-N 3.26Å; F269-Q271 PolarHBondContact O-N 3.42Å; F269-V272 PolarHBondContact O-N 3.49Å; F269-F273 HydrophobicContact CD1-CB 4.15Å; F269-F273 HydrophobicContact CD1-CD2 4.07Å; F269-F273 HydrophobicContact CD1-CG 4.4Å; F269-F273 AromaticContact CD2-CD2 3.62Å; F269-F273 HydrophobicContact CD2-CD2 3.62Å; F269-F273 AromaticContact CD2-CE2 3.84Å; F269-F273 HydrophobicContact CD2-CE2 3.84Å; F269-F273 HydrophobicContact CE1-CB 3.64Å; F269-F273 AromaticContact CE1-CD2 3.75Å; F269-F273 HydrophobicContact CE1-CD2 3.75Å; F269-F273 AromaticContact CE1-CG 3.77Å; F269-F273 HydrophobicContact CE1-CG 3.77Å; F269-F273 AromaticContact CE2-CD2 3.26Å; F269-F273 HydrophobicContact CE2-CD2 3.26Å; F269-F273 AromaticContact CE2-CE2 3.33Å; F269-F273 HydrophobicContact CE2-CE2 3.33Å; F269-F273 AromaticContact CE2-CG 3.96Å; F269-F273 HydrophobicContact CE2-CG 3.96Å; F269-F273 HydrophobicContact CE2-CZ 4.08Å; F269-F273 HydrophobicContact CG-CD2 4.02Å; F269-F273 HydrophobicContact CZ-CB 3.94Å; F269-F273 HydrophobicContact CZ-CD1 4.11Å; F269-F273 AromaticContact CZ-CD2 3.32Å; F269-F273 HydrophobicContact CZ-CD2 3.32Å; F269-F273 HydrophobicContact CZ-CE1 4.48Å; F269-F273 AromaticContact CZ-CE2 3.77Å; F269-F273 HydrophobicContact CZ-CE2 3.77Å; F269-F273 AromaticContact CZ-CG 3.51Å; F269-F273 HydrophobicContact CZ-CG 3.51Å; F269-F273 HydrophobicContact CZ-CZ 4.33Å; F269-F273 PolarHBondContact O-N 3.24Å; F269-W280 HydrophobicContact CD1-CZ2 4.46Å; F269-W280 AromaticContact CE1-CD2 3.87Å; F269-W280 HydrophobicContact CE1-CD2 3.87Å; F269-W280 AromaticContact CE1-CE2 3.88Å; F269-W280 AromaticContact CE1-CE3 3.94Å; F269-W280 HydrophobicContact CE1-CE3 3.94Å; F269-W280 HydrophobicContact CE1-CH2 4.06Å; F269-W280 AromaticContact CE1-CZ2 3.99Å; F269-W280 HydrophobicContact CE1-CZ2 3.99Å; F269-W280 HydrophobicContact CE1-CZ3 4.03Å; F269-W280 HydrophobicContact CZ-CD2 4.43Å; F269-W280 HydrophobicContact CZ-CE3 4.33Å |
| 270 | L | 94.1 | Very high | 91.8 | Very high | 39 Ų | 39 | 55.7 Ų | 55.7 | 20% | 0.204 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.9 | -32.5 | 178.4 | -65.7 | 176.1 | 0 | 0 | 0 | 112.6 | T266 K267 V272 G274 W280 L288 | T266-L270 HydrophobicContact CG2-CD1 4.25Å; T266-L270 VanDerWaalsContact O-CG 3.32Å; T266-L270 WeakPolarHBondContact O-CG 3.38Å; T266-L270 PolarHBondContact O-N 2.69Å; K267-L270 PolarHBondContact O-N 3.17Å; L270-V272 PolarHBondContact O-N 3.48Å; L270-V272 VanDerWaalsContact O-N 3.13Å; L270-G274 VanDerWaalsContact CD2-O 3.24Å; L270-G274 WeakPolarHBondContact CD2-O 3.31Å; L270-G274 VanDerWaalsContact O-CA 3.22Å; L270-G274 WeakPolarHBondContact O-CA 3.36Å; L270-G274 PolarHBondContact O-N 2.95Å; L270-W280 HydrophobicContact CD2-CZ2 3.89Å; L270-L288 HydrophobicContact CB-CD1 4.42Å; L270-L288 WeakPolarHBondContact O-CG 3.46Å |
| 271 | Q | 93.6 | Very high | 92.4 | Very high | 28 Ų | 28 | 58.5 Ų | 58.5 | 13% | 0.131 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.6 | -26.4 | 173.7 | -71.9 | -72.9 | -52.1 | 0 | 0 | 113.2 | L263 K267 N268 F269 L288 | L263-Q271 HydrophobicContact CD1-CG 4.45Å; K267-Q271 VanDerWaalsContact O-CG 3.27Å; K267-Q271 WeakPolarHBondContact O-CG 3.36Å; K267-Q271 PolarHBondContact O-N 3.5Å; N268-Q271 PolarHBondContact O-N 2.99Å; F269-Q271 VanDerWaalsContact C-N 3.26Å; F269-Q271 PolarHBondContact O-N 3.42Å; Q271-L288 PolarHBondContact O-N 3.3Å; Q271-L288 VanDerWaalsContact O-N 3.12Å |
| 272 | V | 94.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -99.5 | -43.3 | 179.4 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | Y168 K169 V235 F269 L270 S287 | Y168-V272 HydrophobicContact CD1-CG1 3.8Å; Y168-V272 HydrophobicContact CD1-CG2 4Å; Y168-V272 HydrophobicContact CE1-CG1 4.35Å; Y168-V272 HydrophobicContact CE1-CG2 4.17Å; K169-V272 HydrophobicContact CB-CG1 4.18Å; V235-V272 HydrophobicContact CG1-CG2 4.44Å; F269-V272 PolarHBondContact O-N 3.49Å; L270-V272 PolarHBondContact O-N 3.48Å; L270-V272 VanDerWaalsContact O-N 3.13Å; V272-S287 PolarHBondContact O-OG 2.97Å |
| 273 | F | 94.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -97.8 | -14.1 | -172.6 | -71 | -88.9 | 0 | 0 | 0 | 114 | K169 M172 L173 F269 W280 S286 | K169-F273 HydrophobicContact CD-CD1 4.48Å; K169-F273 HydrophobicContact CG-CD1 4.15Å; K169-F273 HydrophobicContact CG-CE1 4.23Å; M172-F273 HydrophobicContact CB-CZ 4.06Å; M172-F273 HydrophobicContact CG-CZ 4.47Å; L173-F273 HydrophobicContact CD2-CE1 4.33Å; F269-F273 HydrophobicContact CD1-CB 4.15Å; F269-F273 HydrophobicContact CD1-CD2 4.07Å; F269-F273 HydrophobicContact CD1-CG 4.4Å; F269-F273 AromaticContact CD2-CD2 3.62Å; F269-F273 HydrophobicContact CD2-CD2 3.62Å; F269-F273 AromaticContact CD2-CE2 3.84Å; F269-F273 HydrophobicContact CD2-CE2 3.84Å; F269-F273 HydrophobicContact CE1-CB 3.64Å; F269-F273 AromaticContact CE1-CD2 3.75Å; F269-F273 HydrophobicContact CE1-CD2 3.75Å; F269-F273 AromaticContact CE1-CG 3.77Å; F269-F273 HydrophobicContact CE1-CG 3.77Å; F269-F273 AromaticContact CE2-CD2 3.26Å; F269-F273 HydrophobicContact CE2-CD2 3.26Å; F269-F273 AromaticContact CE2-CE2 3.33Å; F269-F273 HydrophobicContact CE2-CE2 3.33Å; F269-F273 AromaticContact CE2-CG 3.96Å; F269-F273 HydrophobicContact CE2-CG 3.96Å; F269-F273 HydrophobicContact CE2-CZ 4.08Å; F269-F273 HydrophobicContact CG-CD2 4.02Å; F269-F273 HydrophobicContact CZ-CB 3.94Å; F269-F273 HydrophobicContact CZ-CD1 4.11Å; F269-F273 AromaticContact CZ-CD2 3.32Å; F269-F273 HydrophobicContact CZ-CD2 3.32Å; F269-F273 HydrophobicContact CZ-CE1 4.48Å; F269-F273 AromaticContact CZ-CE2 3.77Å; F269-F273 HydrophobicContact CZ-CE2 3.77Å; F269-F273 AromaticContact CZ-CG 3.51Å; F269-F273 HydrophobicContact CZ-CG 3.51Å; F269-F273 HydrophobicContact CZ-CZ 4.33Å; F269-F273 PolarHBondContact O-N 3.24Å; F273-W280 HydrophobicContact CB-CG 4.14Å; F273-W280 HydrophobicContact CD1-CB 4.41Å; F273-W280 VanDerWaalsContact O-CD1 3.32Å; F273-S286 PolarHBondContact O-OG 2.78Å |
| 274 | G | 94 | Very high | 93.6 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | trans | 80.5 | 171.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L270 W280 S286 | L270-G274 VanDerWaalsContact CD2-O 3.24Å; L270-G274 WeakPolarHBondContact CD2-O 3.31Å; L270-G274 VanDerWaalsContact O-CA 3.22Å; L270-G274 WeakPolarHBondContact O-CA 3.36Å; L270-G274 PolarHBondContact O-N 2.95Å; G274-W280 PolarHBondContact O-NE1 3.43Å; G274-S286 WeakPolarHBondContact CA-O 3.44Å; G274-S286 PolarHBondContact N-O 2.9Å | ||
| 275 | D | 94 | Very high | 94 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -77.4 | -24.6 | -176.6 | -57.4 | -42.9 | 0 | 0 | 0 | 113.1 | A277 | D275-A277 PolarHBondContact O-N 3.27Š|
| 276 | E | 94.7 | Very high | 94.4 | Very high | 97 Ų | 97 | 56.3 Ų | 56.3 | 45% | 0.453 | 28% | 0.284 | S | S | . | . | trans | -87.4 | 99.2 | -177.2 | -69.5 | -175.5 | -109.6 | 0 | 0 | 111.6 | K278 Y279 | E276-K278 HydrophobicContact CB-CG 4.42Å; E276-K278 PolarHBondContact O-N 2.84Å; E276-K278 VanDerWaalsContact O-N 3.08Å; E276-K278 WeakPolarHBondContact OE2-CE 3.49Å; E276-K278 IonicContact OE2-NZ 3.57Å; E276-K278 PolarHBondContact OE2-NZ 3.5Å; E276-Y279 HydrophobicContact CB-CD2 3.66Å; E276-Y279 HydrophobicContact CB-CE2 4.08Å; E276-Y279 HydrophobicContact CG-CD2 4.49Å; E276-Y279 HydrophobicContact CG-CE2 4.48Å; E276-Y279 PolarHBondContact O-N 3.4Å; E276-Y279 WeakPolarHBondContact OE2-CE2 3.1Å | ||
| 277 | A | 93.6 | Very high | 94.6 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 48% | 0.479 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -53.7 | -31.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | D275 Y279 W280 | D275-A277 PolarHBondContact O-N 3.27Å; A277-Y279 PolarHBondContact O-N 3.05Å; A277-Y279 VanDerWaalsContact O-N 3.17Å; A277-W280 HydrophobicContact CB-CD2 4.15Å; A277-W280 HydrophobicContact CB-CE3 4.35Å; A277-W280 HydrophobicContact CB-CH2 4.42Å; A277-W280 HydrophobicContact CB-CZ2 4.21Å; A277-W280 HydrophobicContact CB-CZ3 4.48Å; A277-W280 WeakPolarHBondContact O-CB 3.34Å; A277-W280 PolarHBondContact O-N 2.95Å |
| 278 | K | 95.3 | Very high | 94.7 | Very high | 126 Ų | 126 | 48.1 Ų | 48.1 | 55% | 0.548 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -59.3 | -26.9 | 177.4 | 65.9 | -176.9 | 176.5 | -170.5 | 0 | 113.5 | E276 | E276-K278 HydrophobicContact CB-CG 4.42Å; E276-K278 PolarHBondContact O-N 2.84Å; E276-K278 VanDerWaalsContact O-N 3.08Å; E276-K278 WeakPolarHBondContact OE2-CE 3.49Å; E276-K278 IonicContact OE2-NZ 3.57Å; E276-K278 PolarHBondContact OE2-NZ 3.5Å |
| 279 | Y | 94.8 | Very high | 94.7 | Very high | 89 Ų | 89 | 51 Ų | 51 | 35% | 0.349 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -90.4 | -8.2 | 179.4 | -62.8 | -50.8 | 0 | 0 | 0 | 112.7 | K169 E276 A277 V282 V284 | K169-Y279 WeakPolarHBondContact CE-O 3.44Å; K169-Y279 PolarHBondContact NZ-O 3.38Å; E276-Y279 HydrophobicContact CB-CD2 3.66Å; E276-Y279 HydrophobicContact CB-CE2 4.08Å; E276-Y279 HydrophobicContact CG-CD2 4.49Å; E276-Y279 HydrophobicContact CG-CE2 4.48Å; E276-Y279 PolarHBondContact O-N 3.4Å; E276-Y279 WeakPolarHBondContact OE2-CE2 3.1Å; A277-Y279 PolarHBondContact O-N 3.05Å; A277-Y279 VanDerWaalsContact O-N 3.17Å; Y279-V282 PolarHBondContact O-N 3.12Å; Y279-V282 VanDerWaalsContact O-N 3.12Å; Y279-V282 VanDerWaalsContact O-O 3.05Å; Y279-V284 HydrophobicContact CD1-CG2 3.55Å; Y279-V284 HydrophobicContact CE1-CG2 4.34Å; Y279-V284 HydrophobicContact CG-CG2 3.94Å |
| 280 | W | 95.1 | Very high | 94.5 | Very high | 89 Ų | 89 | 51.1 Ų | 51.1 | 34% | 0.337 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -57.3 | -48.8 | -177.1 | -65.9 | 0 | 0 | 0 | 0 | 113.6 | L173 F269 L270 F273 G274 A277 V282 | L173-W280 WeakPolarHBondContact CD2-O 3.47Å; F269-W280 HydrophobicContact CD1-CZ2 4.46Å; F269-W280 AromaticContact CE1-CD2 3.87Å; F269-W280 HydrophobicContact CE1-CD2 3.87Å; F269-W280 AromaticContact CE1-CE2 3.88Å; F269-W280 AromaticContact CE1-CE3 3.94Å; F269-W280 HydrophobicContact CE1-CE3 3.94Å; F269-W280 HydrophobicContact CE1-CH2 4.06Å; F269-W280 AromaticContact CE1-CZ2 3.99Å; F269-W280 HydrophobicContact CE1-CZ2 3.99Å; F269-W280 HydrophobicContact CE1-CZ3 4.03Å; F269-W280 HydrophobicContact CZ-CD2 4.43Å; F269-W280 HydrophobicContact CZ-CE3 4.33Å; L270-W280 HydrophobicContact CD2-CZ2 3.89Å; F273-W280 HydrophobicContact CB-CG 4.14Å; F273-W280 HydrophobicContact CD1-CB 4.41Å; F273-W280 VanDerWaalsContact O-CD1 3.32Å; G274-W280 PolarHBondContact O-NE1 3.43Å; A277-W280 HydrophobicContact CB-CD2 4.15Å; A277-W280 HydrophobicContact CB-CE3 4.35Å; A277-W280 HydrophobicContact CB-CH2 4.42Å; A277-W280 HydrophobicContact CB-CZ2 4.21Å; A277-W280 HydrophobicContact CB-CZ3 4.48Å; A277-W280 WeakPolarHBondContact O-CB 3.34Å; A277-W280 PolarHBondContact O-N 2.95Å; W280-V282 VanDerWaalsContact C-N 3.28Å; W280-V282 PolarHBondContact O-N 2.93Å |
| 281 | P | 96.1 | Very high | 94.3 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -78.4 | -13.2 | 178.1 | 31.6 | -34.7 | 0 | 0 | 0 | 112.9 | M64 Y177 | M64-P281 WeakPolarHBondContact CE-O 3.25Å; Y177-P281 WeakPolarHBondContact CE2-O 3.23Å; Y177-P281 WeakPolarHBondContact OH-CB 3.46Å; Y177-P281 PolarHBondContact OH-O 3.36Å |
| 282 | V | 96.4 | Very high | 94.1 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 22% | 0.218 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -93.1 | 132.2 | -170.9 | -170.4 | 0 | 0 | 0 | 0 | 110.6 | W67 K169 L173 Y279 W280 V284 | W67-V282 HydrophobicContact CH2-CG1 3.33Å; W67-V282 HydrophobicContact CZ2-CG1 4.04Å; W67-V282 HydrophobicContact CZ3-CG1 3.75Å; K169-V282 PolarHBondContact NZ-O 3.13Å; K169-V282 VanDerWaalsContact NZ-O 3.09Å; L173-V282 WeakPolarHBondContact CD1-O 3.13Å; Y279-V282 PolarHBondContact O-N 3.12Å; Y279-V282 VanDerWaalsContact O-N 3.12Å; Y279-V282 VanDerWaalsContact O-O 3.05Å; W280-V282 VanDerWaalsContact C-N 3.28Å; W280-V282 PolarHBondContact O-N 2.93Å; V282-V284 HydrophobicContact CB-CG2 4.09Å; V282-V284 HydrophobicContact CG1-CG1 3.91Å; V282-V284 HydrophobicContact CG1-CG2 4.06Å; V282-V284 PolarHBondContact O-N 2.82Å |
| 283 | P | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -67.8 | 51.8 | 173.8 | -21.1 | 34.2 | 0 | 0 | 0 | 114.9 | M64 W67 A68 Q71 F170 L173 | M64-P283 HydrophobicContact CE-CG 4.46Å; W67-P283 HydrophobicContact CB-CG 4.43Å; W67-P283 HydrophobicContact CD2-CB 4.19Å; W67-P283 HydrophobicContact CD2-CG 3.93Å; W67-P283 HydrophobicContact CE3-CG 4.23Å; W67-P283 HydrophobicContact CG-CB 4.21Å; W67-P283 HydrophobicContact CG-CG 4.03Å; A68-P283 HydrophobicContact CB-CB 4.45Å; A68-P283 HydrophobicContact CB-CG 3.88Å; Q71-P283 HydrophobicContact CB-CB 4.39Å; Q71-P283 HydrophobicContact CG-CB 3.97Å; F170-P283 HydrophobicContact CD1-CB 4.3Å; F170-P283 VanDerWaalsContact CE1-C 3.42Å; F170-P283 WeakPolarHBondContact CE1-O 3.35Å; L173-P283 HydrophobicContact CD1-CB 4.47Å; L173-P283 HydrophobicContact CD1-CG 4.23Å |
| 284 | V | 95.8 | Very high | 93.6 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -114.5 | 145.5 | 172.5 | -67 | 0 | 0 | 0 | 0 | 110.3 | W67 K169 F170 Y279 V282 S286 | W67-V284 HydrophobicContact CZ2-CG1 4.28Å; K169-V284 PolarHBondContact NZ-O 3.37Å; F170-V284 VanDerWaalsContact CE1-C 3.42Å; Y279-V284 HydrophobicContact CD1-CG2 3.55Å; Y279-V284 HydrophobicContact CE1-CG2 4.34Å; Y279-V284 HydrophobicContact CG-CG2 3.94Å; V282-V284 HydrophobicContact CB-CG2 4.09Å; V282-V284 HydrophobicContact CG1-CG1 3.91Å; V282-V284 HydrophobicContact CG1-CG2 4.06Å; V282-V284 PolarHBondContact O-N 2.82Å; V284-S286 PolarHBondContact O-N 3.13Å |
| 285 | F | 95.6 | Very high | 93.3 | Very high | 98 Ų | 98 | 52 Ų | 52 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | trans | -66.9 | 123.7 | -178.2 | -177.4 | -94 | 0 | 0 | 0 | 110 | F165 F170 | F165-F285 HydrophobicContact CE1-CE2 4.36Å; F165-F285 AromaticContact CE1-CZ 3.86Å; F165-F285 HydrophobicContact CE1-CZ 3.86Å; F165-F285 HydrophobicContact CZ-CZ 4.18Å; F170-F285 HydrophobicContact CZ-CB 4.03Å | ||
| 286 | S | 96 | Very high | 92.8 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | trans | -145.2 | 12.9 | 176.9 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | K169 F273 G274 V284 | K169-S286 WeakPolarHBondContact CD-OG 3.38Å; K169-S286 WeakPolarHBondContact CE-OG 3.35Å; K169-S286 PolarHBondContact NZ-OG 3.17Å; F273-S286 PolarHBondContact O-OG 2.78Å; G274-S286 WeakPolarHBondContact CA-O 3.44Å; G274-S286 PolarHBondContact N-O 2.9Å; V284-S286 PolarHBondContact O-N 3.13Å | ||
| 287 | S | 95.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 47.2 Ų | 47.2 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | trans | -62.9 | 145 | 175.4 | -52 | 0 | 0 | 0 | 0 | 110.2 | V272 | V272-S287 PolarHBondContact O-OG 2.97Š| ||
| 288 | L | 93.8 | Very high | 90.5 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 23% | 0.23 | 27% | 0.273 | C | S | . | . | trans | -87.3 | 152.9 | 178.1 | -57.7 | 177.9 | 0 | 0 | 0 | 111.3 | F165 L270 Q271 | F165-L288 WeakPolarHBondContact CE2-O 3.27Å; F165-L288 WeakPolarHBondContact CZ-O 3.44Å; L270-L288 HydrophobicContact CB-CD1 4.42Å; L270-L288 WeakPolarHBondContact O-CG 3.46Å; Q271-L288 PolarHBondContact O-N 3.3Å; Q271-L288 VanDerWaalsContact O-N 3.12Å | ||
| 289 | G | 91.2 | Very high | 88.3 | Confident | 60 Ų | 60 | 48.3 Ų | 48.3 | 62% | 0.619 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 90.3 | -178.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F165 | F165-G289 WeakPolarHBondContact CZ-O 3.35Š|
| 290 | D | 90.4 | Very high | 85.9 | Confident | 58 Ų | 58 | 51.3 Ų | 51.3 | 31% | 0.31 | 30% | 0.3 | S | S | . | . | trans | -100.2 | -8 | -179.8 | 61.4 | 5.7 | 0 | 0 | 0 | 112.9 | C292 S293 | D290-C292 PolarHBondContact O-N 3.17Å; D290-C292 PolarHBondContact OD1-N 3.35Å; D290-S293 PolarHBondContact OD1-N 2.96Å; D290-S293 PolarHBondContact OD1-OG 3.29Å; D290-S293 PolarHBondContact OD2-OG 3.4Å | ||
| 291 | G | 89.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 77.4 | -5.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | L150 F294 | L150-G291 WeakPolarHBondContact CB-O 3.21Å; L150-G291 WeakPolarHBondContact CD2-O 3.43Å; G291-F294 VanDerWaalsContact O-CE2 3.3Å; G291-F294 WeakPolarHBondContact O-CE2 3.34Å; G291-F294 VanDerWaalsContact O-CZ 3.24Å; G291-F294 WeakPolarHBondContact O-CZ 3.37Å |
| 292 | C | 89.3 | Confident | 80.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -101.1 | -34 | 178.3 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | L81 F84 P136 D290 | L81-C292 HydrophobicContact CD1-CB 4.31Å; F84-C292 HydrophobicContact CE2-CB 3.67Å; F84-C292 HydrophobicContact CZ-CB 4Å; P136-C292 HydrophobicContact CB-CB 4.25Å; P136-C292 WeakPolarHBondContact CB-O 3.27Å; P136-C292 HydrophobicContact CG-CB 4.38Å; D290-C292 PolarHBondContact O-N 3.17Å; D290-C292 PolarHBondContact OD1-N 3.35Å |
| 293 | S | 89.5 | Confident | 78.1 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | trans | -118.3 | 144.1 | 174.9 | 65 | 0 | 0 | 0 | 0 | 110.5 | D290 | D290-S293 PolarHBondContact OD1-N 2.96Å; D290-S293 PolarHBondContact OD1-OG 3.29Å; D290-S293 PolarHBondContact OD2-OG 3.4Å | ||
| 294 | F | 89.4 | Confident | 75.7 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 4% | 0.039 | 39% | 0.39 | C | S | . | . | trans | -135.1 | 140.5 | 179.8 | -61.8 | -83 | 0 | 0 | 0 | 109.8 | D137 R138 K151 F165 F261 G291 T296 | D137-F294 HydrophobicContact CB-CD2 4.4Å; D137-F294 VanDerWaalsContact O-CE2 3.3Å; D137-F294 WeakPolarHBondContact O-CE2 3.44Å; R138-F294 HydrophobicContact CB-CE2 4.18Å; R138-F294 HydrophobicContact CG-CD2 4.15Å; R138-F294 HydrophobicContact CG-CE2 4.33Å; K151-F294 HydrophobicContact CB-CE1 4.34Å; K151-F294 HydrophobicContact CB-CZ 3.81Å; K151-F294 HydrophobicContact CD-CE1 3.9Å; K151-F294 HydrophobicContact CD-CZ 4.23Å; K151-F294 HydrophobicContact CG-CE1 4.26Å; K151-F294 HydrophobicContact CG-CZ 4.12Å; F165-F294 HydrophobicContact CD2-CE1 4.2Å; F165-F294 HydrophobicContact CD2-CZ 4.42Å; F165-F294 HydrophobicContact CE2-CE1 4.36Å; F261-F294 HydrophobicContact CD1-CB 3.81Å; F261-F294 HydrophobicContact CE1-CB 3.95Å; G291-F294 VanDerWaalsContact O-CE2 3.3Å; G291-F294 WeakPolarHBondContact O-CE2 3.34Å; G291-F294 VanDerWaalsContact O-CZ 3.24Å; G291-F294 WeakPolarHBondContact O-CZ 3.37Å; F294-T296 PolarHBondContact O-N 2.83Å | ||
| 295 | P | 87.3 | Confident | 73.5 | Confident | 56 Ų | 56 | 70 Ų | 70 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | trans | -66.7 | 137.2 | 175.3 | -3.9 | 18.1 | 0 | 0 | 0 | 109.7 | L263 | L263-P295 HydrophobicContact CD1-CB 3.73Å; L263-P295 HydrophobicContact CD1-CG 3.78Å; L263-P295 HydrophobicContact CD2-CB 4.05Å; L263-P295 HydrophobicContact CG-CB 4.49Å | ||
| 296 | T | 82.4 | Confident | 70.6 | Confident | 19 Ų | 19 | 71 Ų | 71 | 12% | 0.117 | 41% | 0.414 | C | S | . | . | trans | -102.1 | 161.9 | 177.5 | 56.5 | 0 | 0 | 0 | 0 | 110.6 | Y117 F252 G260 F261 F294 L298 V299 | Y117-T296 HydrophobicContact CD2-CG2 4.4Å; F252-T296 HydrophobicContact CE1-CG2 3.93Å; G260-T296 CarbonylContact O-C 3.55Å; G260-T296 WeakPolarHBondContact O-CA 3.45Å; G260-T296 WeakPolarHBondContact O-CB 3.48Å; F261-T296 HydrophobicContact CD1-CG2 3.99Å; F261-T296 HydrophobicContact CE1-CG2 3.84Å; F294-T296 PolarHBondContact O-N 2.83Å; T296-L298 VanDerWaalsContact C-N 3.31Å; T296-V299 WeakPolarHBondContact O-CG2 3.5Å | ||
| 297 | C | 75.1 | Confident | 67.6 | Low | 61 Ų | 61 | 75.5 Ų | 75.5 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -74.4 | -23.5 | 177.5 | 69.5 | 0 | 0 | 0 | 0 | 112.8 | G260 S262 | G260-C297 PolarHBondContact O-N 3.26Å; S262-C297 WeakPolarHBondContact O-CB 3.23Å |
| 298 | L | 64.8 | Low | 64.6 | Low | 99 Ų | 99 | 79.9 Ų | 79.9 | 52% | 0.518 | 48% | 0.476 | S | S | . | . | trans | -105.6 | 77.5 | -178.4 | -69.1 | 163.1 | 0 | 0 | 0 | 109.8 | H254 T296 | H254-L298 WeakPolarHBondContact CD2-CD1 3.49Å; H254-L298 WeakPolarHBondContact NE2-CD1 3.35Å; T296-L298 VanDerWaalsContact C-N 3.31Å | ||
| 299 | V | 50.2 | Low | 61.8 | Low | 108 Ų | 108 | 84 Ų | 84 | 66% | 0.655 | 51% | 0.506 | S | S | * | . | trans | -86.9 | -6.5 | -179.3 | -179 | 0 | 0 | 0 | 0 | 113.1 | T296 | T296-V299 WeakPolarHBondContact O-CG2 3.5Š| ||
| 300 | N | 43.3 | Very low | 59 | Low | 153 Ų | 153 | 86.3 Ų | 86.3 | 82% | 0.818 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -123.4 | 19.3 | -165.4 | -78.5 | -19.5 | 0 | 0 | 0 | 118.4 | ||
| 301 | L | 39.9 | Very low | 56.3 | Low | 161 Ų | 161 | 87.6 Ų | 87.6 | 84% | 0.843 | 54% | 0.54 | S | S | * | . | trans | -141.3 | 61.5 | 176.8 | -81.8 | 159.5 | 0 | 0 | 0 | 112.1 | ||||
| 302 | D | 40.8 | Very low | 53.4 | Low | 67 Ų | 67 | 93.1 Ų | 93.1 | 36% | 0.358 | 58% | 0.578 | S | S | . | * | trans | -130.8 | 98.9 | 159.2 | -142.9 | -22.2 | 0 | 0 | 0 | 109 | R253 E304 | R253-D302 IonicContact CZ-OD2 3.78Å; R253-D302 IonicContact NH1-OD1 2.89Å; R253-D302 IonicContact NH1-OD2 3.51Å; R253-D302 PolarHBondContact NH1-OD2 3.45Å; D302-E304 PolarHBondContact O-N 3.15Å; D302-E304 VanDerWaalsContact O-N 3.17Å | ||
| 303 | P | 43.5 | Very low | 50.6 | Low | 130 Ų | 130 | 99 Ų | 99 | 84% | 0.844 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -10.4 | -178.1 | -20.6 | 31.7 | 0 | 0 | 0 | 114.9 | ||
| 304 | E | 45.4 | Very low | 47.5 | Very low | 170 Ų | 170 | 102.6 Ų | 102.6 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 9.1 | -171.6 | -67.2 | -168.7 | 132.3 | 0 | 0 | 114.7 | D302 | D302-E304 PolarHBondContact O-N 3.15Å; D302-E304 VanDerWaalsContact O-N 3.17Å |
| 305 | Q | 50 | Low | 44.8 | Very low | 98 Ų | 98 | 107 Ų | 107 | 46% | 0.458 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -96.6 | 134.6 | 171.6 | -92.3 | -171.8 | -51.6 | 0 | 0 | 112 | S307 | Q305-S307 PolarHBondContact O-N 3.39Š|
| 306 | P | 35.3 | Very low | 41.9 | Very low | 120 Ų | 120 | 110.3 Ų | 110.3 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 132.5 | 172 | 25.4 | -30.2 | 0 | 0 | 0 | 109.7 | S308 | P306-S308 PolarHBondContact O-N 3.03Š|
| 307 | S | 33.1 | Very low | 39.4 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133.1 | 173.3 | 40.7 | 0 | 0 | 0 | 0 | 110.1 | Q305 | Q305-S307 PolarHBondContact O-N 3.39Š|
| 308 | S | 32.7 | Very low | 37.1 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -42.9 | 138.9 | 172.3 | -38.2 | 0 | 0 | 0 | 0 | 111 | P306 S310 | P306-S308 PolarHBondContact O-N 3.03Å; S308-S310 PolarHBondContact O-N 3.39Å | ||
| 309 | P | 34.8 | Very low | 35.5 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | trans | -67.5 | 109 | -176.7 | 26.2 | -30.9 | 0 | 0 | 0 | 110 | ||||
| 310 | S | 31.5 | Very low | 34.5 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -62.4 | 135 | 157.2 | 41.5 | 0 | 0 | 0 | 0 | 108.4 | S308 S312 | S308-S310 PolarHBondContact O-N 3.39Å; S310-S312 PolarHBondContact O-N 3.14Å | ||
| 311 | G | 33.5 | Very low | 33.8 | Very low | 85 Ų | 85 | 125 Ų | 125 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | -51.4 | 131.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 312 | S | 28.6 | Very low | 33.2 | Very low | 115 Ų | 115 | 120.3 Ų | 120.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -124.4 | 126.6 | 156.3 | 56 | 0 | 0 | 0 | 0 | 108.7 | S310 | S310-S312 PolarHBondContact O-N 3.14Š| ||
| 313 | S | 30.8 | Very low | 32.8 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 87% | 0.867 | 82% | 0.819 | S | S | * | * | trans | -67.1 | 126.6 | 175 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 314 | S | 26.1 | Very low | 32 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -154.1 | 131 | 144.4 | 57 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 315 | A | 31 | Very low | 31.5 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -80.4 | 137.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 316 | S | 26.5 | Very low | 30.5 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 87% | 0.867 | 84% | 0.835 | S | S | * | * | trans | -163.7 | 134.7 | 143.4 | 42 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 317 | K | 31.1 | Very low | 30.5 | Very low | 211 Ų | 211 | 132.8 Ų | 132.8 | 92% | 0.917 | 83% | 0.832 | S | S | * | * | trans | -79.7 | 140.9 | -177.1 | -72.1 | 172.3 | 172.7 | 175.1 | 0 | 111.1 | ||||
| 318 | S | 26.2 | Very low | 30.4 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | trans | -163.4 | 130 | 135.7 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 319 | A | 30.8 | Very low | 30.3 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 87% | 0.868 | 84% | 0.836 | S | S | * | * | trans | -82 | 141.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 320 | A | 28.7 | Very low | 30.2 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -157.2 | 121.7 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 321 | E | 30.6 | Very low | 30.4 | Very low | 210 Ų | 210 | 143.7 Ų | 143.7 | 98% | 0.981 | 84% | 0.837 | S | S | * | * | trans | -74.1 | 131.4 | -175 | -70.7 | 172.2 | 124.9 | 0 | 0 | 112.8 | ||||
| 322 | G | 27.3 | Very low | 30.4 | Very low | 62 Ų | 62 | 147.6 Ų | 147.6 | 64% | 0.639 | 83% | 0.832 | S | S | * | * | trans | -158.3 | 122.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q324 | G322-Q324 PolarHBondContact O-N 3.18Š| ||
| 323 | R | 30.5 | Very low | 30.5 | Very low | 261 Ų | 261 | 147.5 Ų | 147.5 | 99% | 0.985 | 83% | 0.832 | S | S | * | * | trans | -58.2 | 100 | -173.2 | -68.8 | -178.5 | -179.9 | -172.7 | -0.4 | 111.1 | ||||
| 324 | Q | 27.9 | Very low | 30.7 | Very low | 173 Ų | 173 | 150 Ų | 150 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | trans | -104.6 | 124.7 | 178.4 | -164.4 | 166 | 7.5 | 0 | 0 | 108.3 | G322 | G322-Q324 PolarHBondContact O-N 3.18Š| ||
| 325 | F | 34.4 | Very low | 31 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -66.2 | 139.2 | 172.6 | -75.4 | -87.9 | 0 | 0 | 0 | 109.4 | S327 | F325-S327 PolarHBondContact O-N 3.04Å; F325-S327 VanDerWaalsContact O-N 3.15Å | ||
| 326 | P | 29.9 | Very low | 31 | Very low | 118 Ų | 118 | 156 Ų | 156 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | trans | -73.6 | 113 | -168.7 | 27.6 | -32.3 | 0 | 0 | 0 | 111.1 | K328 | P326-K328 PolarHBondContact O-N 3.16Š| ||
| 327 | S | 34.3 | Very low | 31.3 | Very low | 102 Ų | 102 | 157.9 Ų | 157.9 | 71% | 0.713 | 83% | 0.828 | S | S | * | * | trans | -78.9 | 102.3 | 159.4 | 51.2 | 0 | 0 | 0 | 0 | 108.3 | F325 P329 | F325-S327 PolarHBondContact O-N 3.04Å; F325-S327 VanDerWaalsContact O-N 3.15Å; S327-P329 WeakPolarHBondContact O-CD 3.4Å | ||
| 328 | K | 32.1 | Very low | 31.3 | Very low | 193 Ų | 193 | 155.6 Ų | 155.6 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | -79.4 | 122.2 | 168.5 | -80.4 | -176.3 | 177.6 | 179 | 0 | 109.1 | P326 | P326-K328 PolarHBondContact O-N 3.16Š| ||
| 329 | P | 29.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 156 Ų | 156 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | trans | -71.9 | 139.3 | 169.3 | -9.7 | 25.7 | 0 | 0 | 0 | 110.3 | S327 R331 | S327-P329 WeakPolarHBondContact O-CD 3.4Å; P329-R331 PolarHBondContact O-N 3.03Å | ||
| 330 | L | 33.6 | Very low | 31.6 | Very low | 152 Ų | 152 | 156.6 Ų | 156.6 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | -66.2 | 106.9 | 169 | -85.6 | 153.7 | 0 | 0 | 0 | 109.9 | ||||
| 331 | R | 35.3 | Very low | 31.4 | Very low | 224 Ų | 224 | 158.2 Ų | 158.2 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | -149.7 | 137 | 155.3 | -138.4 | 179.7 | -175.5 | -144.6 | 2.2 | 110.2 | P329 | P329-R331 PolarHBondContact O-N 3.03Š| ||
| 332 | E | 32.5 | Very low | 31.4 | Very low | 166 Ų | 166 | 153.8 Ų | 153.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 79.7 | 74.4 | 170.7 | -61.1 | 177.1 | 174.3 | 0 | 0 | 117.9 | ||
| 333 | S | 32.3 | Very low | 31.3 | Very low | 114 Ų | 114 | 156 Ų | 156 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -153.8 | 13.6 | 151.4 | 67.2 | 0 | 0 | 0 | 0 | 117.5 | ||
| 334 | Q | 33.7 | Very low | 31 | Very low | 177 Ų | 177 | 155.6 Ų | 155.6 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -137.5 | 9.7 | 179.6 | -78.5 | -167.3 | -21.2 | 0 | 0 | 117.7 | R336 | Q334-R336 VanDerWaalsContact C-N 3.29Å; Q334-R336 PolarHBondContact O-N 3.44Å |
| 335 | S | 32.2 | Very low | 31 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 12.7 | 176.2 | 48.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 336 | R | 32.4 | Very low | 30.6 | Very low | 240 Ų | 240 | 152.6 Ų | 152.6 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 9.1 | -179.2 | -84.7 | -163.7 | 178.5 | -161.8 | 1.4 | 116.6 | Q334 | Q334-R336 VanDerWaalsContact C-N 3.29Å; Q334-R336 PolarHBondContact O-N 3.44Å |
| 337 | L | 32.9 | Very low | 30.5 | Very low | 163 Ų | 163 | 152.9 Ų | 152.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -123.6 | 10.5 | -176.7 | -83.5 | 163.3 | 0 | 0 | 0 | 115.9 | ||
| 338 | L | 30.2 | Very low | 30.1 | Very low | 164 Ų | 164 | 157.7 Ų | 157.7 | 86% | 0.859 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -132.2 | 21.5 | 179.3 | -73 | 174.9 | 0 | 0 | 0 | 115.5 | ||
| 339 | T | 32.6 | Very low | 29.8 | Very low | 129 Ų | 129 | 152 Ų | 152 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | -131.6 | 81 | 170.1 | 35.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 340 | S | 29.7 | Very low | 29.7 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | trans | -155.9 | 76.3 | 156 | 60.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 341 | T | 26.1 | Very low | 29.5 | Very low | 138 Ų | 138 | 148 Ų | 148 | 85% | 0.847 | 83% | 0.833 | S | S | * | * | trans | -129.2 | 116.2 | 155.7 | -2.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 342 | P | 29.5 | Very low | 29.2 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -76 | 131.3 | -178.1 | 7 | 5.9 | 0 | 0 | 0 | 110.2 | W344 | P342-W344 PolarHBondContact O-N 3.22Š| ||
| 343 | S | 25.1 | Very low | 29.1 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -69.8 | 123.5 | 168.9 | 61 | 0 | 0 | 0 | 0 | 109.8 | S345 | S343-S345 PolarHBondContact O-N 2.94Š| ||
| 344 | W | 25 | Very low | 29 | Very low | 252 Ų | 252 | 144.7 Ų | 144.7 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | trans | -76 | 114.1 | 165.8 | -77.8 | 75.1 | 0 | 0 | 0 | 108.9 | P342 | P342-W344 PolarHBondContact O-N 3.22Š| ||
| 345 | S | 27.6 | Very low | 28.9 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -103 | 124.6 | 161.8 | 51.2 | 0 | 0 | 0 | 0 | 108.1 | S343 S347 | S343-S345 PolarHBondContact O-N 2.94Å; S345-S347 PolarHBondContact O-N 3.39Å | ||
| 346 | E | 25.2 | Very low | 28.8 | Very low | 198 Ų | 198 | 150.3 Ų | 150.3 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -59.8 | 129.1 | 171.3 | -70.2 | 175.3 | 136.3 | 0 | 0 | 110.8 | ||||
| 347 | S | 27.8 | Very low | 28.6 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -145.9 | 124.3 | 154.8 | -106.8 | 0 | 0 | 0 | 0 | 108.7 | S345 | S345-S347 PolarHBondContact O-N 3.39Š| ||
| 348 | E | 26.9 | Very low | 28.4 | Very low | 203 Ų | 203 | 139.6 Ų | 139.6 | 95% | 0.949 | 82% | 0.823 | S | S | * | * | trans | -59.5 | 149 | 173.3 | -61.4 | 174.8 | 132 | 0 | 0 | 112.3 | ||||
| 349 | G | 26.6 | Very low | 28.4 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | 157.1 | 87.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 350 | A | 27.6 | Very low | 28.3 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | 34 | 128.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 351 | G | 27.8 | Very low | 28.7 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 165.9 | 82.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 352 | D | 28.8 | Very low | 28.8 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | trans | -4.3 | 149.2 | 156.3 | -159.1 | 25.8 | 0 | 0 | 0 | 122.2 | ||||
| 353 | K | 31.4 | Very low | 28.7 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 70% | 0.7 | 82% | 0.818 | S | S | * | * | trans | 95.4 | 101.7 | 152.2 | -87.3 | 158.3 | -172.2 | 136.5 | 0 | 123.5 | ||||
| 354 | D | 29.5 | Very low | 28.9 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | 56.9 | 111.7 | 116.4 | -92.1 | -29.1 | 0 | 0 | 0 | 120.3 | |||||
| 355 | K | 32.2 | Very low | 29.4 | Very low | 200 Ų | 200 | 135.6 Ų | 135.6 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | -175.1 | 112.8 | 107.2 | -102.9 | 170.8 | -179.8 | 173.2 | 0 | 113.5 | |||||
| 356 | K | 30.9 | Very low | 29.6 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | 29.8 | 114.5 | 140.9 | -73.4 | -178.1 | 173.9 | -178.7 | 0 | 119.7 | ||||
| 357 | G | 27.1 | Very low | 30 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -88.1 | 167.1 | 148.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 358 | A | 29.4 | Very low | 30.4 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | 178.5 | 142.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 359 | S | 29.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 84% | 0.837 | S | S | * | * | cis | -179.6 | 143.7 | -1 | 39.1 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 360 | N | 31.1 | Very low | 31.3 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 84% | 0.84 | S | S | * | * | trans | -61.7 | 163.1 | 168.1 | -70.4 | -24.9 | 0 | 0 | 0 | 110.8 | ||||
| 361 | P | 37.9 | Very low | 31.5 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 84% | 0.844 | 84% | 0.836 | S | S | * | * | -147.3 | 166.5 | 89.4 | 34.1 | -13.6 | 0 | 0 | 0 | 116.3 | |||||
| 362 | V | 28.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 74% | 0.739 | 84% | 0.838 | S | S | * | * | trans | -65.2 | 149.1 | 168 | 166.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 363 | M | 27.7 | Very low | 31.9 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 78% | 0.778 | 85% | 0.846 | S | S | * | * | 156.7 | 147 | 113.7 | -137.7 | -175 | -64.9 | 0 | 0 | 115.1 | |||||
| 364 | T | 29.1 | Very low | 31.9 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 71% | 0.706 | 86% | 0.855 | S | S | * | * | trans | 77.3 | 104 | 148.5 | 32.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 365 | I | 36.5 | Very low | 32.1 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 78% | 0.779 | 86% | 0.862 | S | S | * | * | 14.9 | 126.6 | 117.1 | -49.4 | 175.1 | 0 | 0 | 0 | 117.4 | |||||
| 366 | E | 31.6 | Very low | 32.1 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 86% | 0.862 | S | S | * | * | -175.1 | 155.4 | 117.5 | -100.6 | -177.5 | 169.6 | 0 | 0 | 113.3 | |||||
| 367 | N | 33.5 | Very low | 32.2 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 86% | 0.86 | S | S | * | * | trans | -85.9 | 176.1 | -168.3 | -87.4 | -24.3 | 0 | 0 | 0 | 114.3 | ||||
| 368 | E | 35.9 | Very low | 32.6 | Very low | 190 Ų | 190 | 146.3 Ų | 146.3 | 89% | 0.888 | 86% | 0.862 | S | S | * | * | trans | 101.4 | 106.4 | 148.6 | -56.1 | -161.4 | 148.4 | 0 | 0 | 117.8 | ||||
| 369 | A | 41.1 | Very low | 32.9 | Very low | 181 Ų | 181 | 150.9 Ų | 150.9 | 100% | 1.496 | 87% | 0.868 | S | S | * | * | -161.2 | 0 | 104 | 0 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 369 of 369 residues in 2262.2 ms
(Link to these results)