| 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 | 49.7 | Very low | 56.1 | Low | 215 Ų | 215 | 127.6 Ų | 127.6 | 100% | 1.059 | 65% | 0.652 | S | S | * | * | 0 | -56.3 | 0 | -137.5 | 177.6 | -155.8 | 0 | 0 | 112.1 | R3 L4 L5 | M1-R3 PolarHBondContact O-N 2.9Å; M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-L5 PolarHBondContact O-N 2.83Å; M1-L5 VanDerWaalsContact O-N 3.17Å | |||
| 2 | L | 52.7 | Low | 55.5 | Low | 134 Ų | 134 | 125.5 Ų | 125.5 | 70% | 0.702 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -60.5 | -40.5 | -178.2 | -161.2 | 74.9 | 0 | 0 | 0 | 114.6 | L4 L5 I6 | L2-L4 VanDerWaalsContact C-N 3.32Å; L2-L4 PolarHBondContact O-N 3.06Å; L2-L5 WeakPolarHBondContact O-CB 2.98Å; L2-L5 PolarHBondContact O-N 3.15Å; L2-I6 HydrophobicContact CG-CD1 4.46Å; L2-I6 WeakPolarHBondContact O-CG1 3.31Å; L2-I6 PolarHBondContact O-N 2.91Å; L2-I6 VanDerWaalsContact O-N 3.08Å |
| 3 | R | 55.4 | Low | 54.3 | Low | 217 Ų | 217 | 125.4 Ų | 125.4 | 82% | 0.819 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.5 | -33.5 | 175 | -78.6 | -173.9 | 177.2 | -173.4 | -0.8 | 113.5 | M1 L5 I6 V7 | M1-R3 PolarHBondContact O-N 2.9Å; R3-L5 VanDerWaalsContact C-N 3.34Å; R3-I6 PolarHBondContact O-N 2.93Å; R3-V7 WeakPolarHBondContact O-CG2 3.48Å; R3-V7 PolarHBondContact O-N 2.88Å; R3-V7 VanDerWaalsContact O-N 3.08Å |
| 4 | L | 60.2 | Low | 53.2 | Low | 142 Ų | 142 | 122.9 Ų | 122.9 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.9 | -34.5 | 176.9 | -119.7 | 125.1 | 0 | 0 | 0 | 111 | M1 L2 F8 | M1-L4 WeakPolarHBondContact O-CB 3.36Å; M1-L4 PolarHBondContact O-N 3.32Å; M1-L4 VanDerWaalsContact O-N 3.14Å; L2-L4 VanDerWaalsContact C-N 3.32Å; L2-L4 PolarHBondContact O-N 3.06Å; L4-F8 WeakPolarHBondContact O-CB 3.13Å; L4-F8 PolarHBondContact O-N 3.12Å |
| 5 | L | 61.6 | Low | 52.3 | Low | 116 Ų | 116 | 117.8 Ų | 117.8 | 61% | 0.607 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.3 | -43 | 174.2 | -154.2 | 98.6 | 0 | 0 | 0 | 111.6 | M1 L2 R3 F8 V9 | M1-L5 PolarHBondContact O-N 2.83Å; M1-L5 VanDerWaalsContact O-N 3.17Å; L2-L5 WeakPolarHBondContact O-CB 2.98Å; L2-L5 PolarHBondContact O-N 3.15Å; R3-L5 VanDerWaalsContact C-N 3.34Å; L5-F8 PolarHBondContact O-N 3.07Å; L5-V9 VanDerWaalsContact O-CG2 3.25Å; L5-V9 WeakPolarHBondContact O-CG2 3.4Å; L5-V9 PolarHBondContact O-N 3.24Å |
| 6 | I | 64.3 | Low | 51.5 | Low | 104 Ų | 104 | 116.9 Ų | 116.9 | 53% | 0.533 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67 | -41 | 179.2 | -64.8 | 166 | 0 | 0 | 0 | 111.2 | L2 R3 V9 S10 | L2-I6 HydrophobicContact CG-CD1 4.46Å; L2-I6 WeakPolarHBondContact O-CG1 3.31Å; L2-I6 PolarHBondContact O-N 2.91Å; L2-I6 VanDerWaalsContact O-N 3.08Å; R3-I6 PolarHBondContact O-N 2.93Å; I6-V9 PolarHBondContact O-N 3.16Å; I6-S10 VanDerWaalsContact O-CB 3.3Å; I6-S10 WeakPolarHBondContact O-CB 3.31Å; I6-S10 PolarHBondContact O-N 3.34Å |
| 7 | V | 62.1 | Low | 51 | Low | 91 Ų | 91 | 119.1 Ų | 119.1 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65 | -42.3 | 175.7 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | R3 V9 S10 T11 | R3-V7 WeakPolarHBondContact O-CG2 3.48Å; R3-V7 PolarHBondContact O-N 2.88Å; R3-V7 VanDerWaalsContact O-N 3.08Å; V7-V9 PolarHBondContact O-N 3.38Å; V7-S10 PolarHBondContact O-N 3.07Å; V7-T11 HydrophobicContact CG1-CG2 4.45Å; V7-T11 PolarHBondContact O-N 2.78Å; V7-T11 PolarHBondContact O-OG1 3.37Å |
| 8 | F | 60.3 | Low | 50.4 | Low | 150 Ų | 150 | 115.2 Ų | 115.2 | 66% | 0.658 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.8 | -42.6 | 177.3 | -162 | -97.7 | 0 | 0 | 0 | 112.2 | L4 L5 T11 V12 | L4-F8 WeakPolarHBondContact O-CB 3.13Å; L4-F8 PolarHBondContact O-N 3.12Å; L5-F8 PolarHBondContact O-N 3.07Å; F8-T11 WeakPolarHBondContact CA-OG1 3.26Å; F8-T11 PolarHBondContact O-OG1 3.26Å; F8-V12 HydrophobicContact CD1-CG2 4.42Å; F8-V12 HydrophobicContact CE1-CG2 4.31Å; F8-V12 VanDerWaalsContact O-CG2 3.24Å; F8-V12 WeakPolarHBondContact O-CG2 3.01Å; F8-V12 PolarHBondContact O-N 2.7Å; F8-V12 VanDerWaalsContact O-N 3.12Å |
| 9 | V | 54.6 | Low | 50.7 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 47% | 0.473 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.4 | -39.5 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | L5 I6 V7 V12 L13 | L5-V9 VanDerWaalsContact O-CG2 3.25Å; L5-V9 WeakPolarHBondContact O-CG2 3.4Å; L5-V9 PolarHBondContact O-N 3.24Å; I6-V9 PolarHBondContact O-N 3.16Å; V7-V9 PolarHBondContact O-N 3.38Å; V9-V12 PolarHBondContact O-N 2.96Å; V9-L13 HydrophobicContact CG1-CD1 3.94Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.19Å; V9-L13 VanDerWaalsContact O-N 3.11Å |
| 10 | S | 47.3 | Very low | 51.4 | Low | 71 Ų | 71 | 105.7 Ų | 105.7 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70 | -34.5 | 178.8 | -171.2 | 0 | 0 | 0 | 0 | 113.2 | I6 V7 L13 S14 | I6-S10 VanDerWaalsContact O-CB 3.3Å; I6-S10 WeakPolarHBondContact O-CB 3.31Å; I6-S10 PolarHBondContact O-N 3.34Å; V7-S10 PolarHBondContact O-N 3.07Å; S10-L13 PolarHBondContact O-N 2.62Å; S10-S14 PolarHBondContact O-N 2.65Å; S10-S14 PolarHBondContact O-OG 2.92Å |
| 11 | T | 49.2 | Very low | 52.2 | Low | 86 Ų | 86 | 105.8 Ų | 105.8 | 53% | 0.528 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -74 | -30.2 | 175.4 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | V7 F8 L13 | V7-T11 HydrophobicContact CG1-CG2 4.45Å; V7-T11 PolarHBondContact O-N 2.78Å; V7-T11 PolarHBondContact O-OG1 3.37Å; F8-T11 WeakPolarHBondContact CA-OG1 3.26Å; F8-T11 PolarHBondContact O-OG1 3.26Å; T11-L13 VanDerWaalsContact C-N 3.33Å |
| 12 | V | 48.1 | Very low | 53.6 | Low | 102 Ų | 102 | 97.1 Ų | 97.1 | 62% | 0.618 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.2 | -31 | 172.6 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | F8 V9 | F8-V12 HydrophobicContact CD1-CG2 4.42Å; F8-V12 HydrophobicContact CE1-CG2 4.31Å; F8-V12 VanDerWaalsContact O-CG2 3.24Å; F8-V12 WeakPolarHBondContact O-CG2 3.01Å; F8-V12 PolarHBondContact O-N 2.7Å; F8-V12 VanDerWaalsContact O-N 3.12Å; V9-V12 PolarHBondContact O-N 2.96Å |
| 13 | L | 40.5 | Very low | 55.1 | Low | 124 Ų | 124 | 91.9 Ų | 91.9 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -79.7 | -17.5 | 178.6 | -78.6 | 162.9 | 0 | 0 | 0 | 115.1 | V9 S10 T11 | V9-L13 HydrophobicContact CG1-CD1 3.94Å; V9-L13 WeakPolarHBondContact O-CG 3.45Å; V9-L13 PolarHBondContact O-N 3.19Å; V9-L13 VanDerWaalsContact O-N 3.11Å; S10-L13 PolarHBondContact O-N 2.62Å; T11-L13 VanDerWaalsContact C-N 3.33Å |
| 14 | S | 39.1 | Very low | 56.7 | Low | 91 Ų | 91 | 84 Ų | 84 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -1.5 | -174.3 | 32.2 | 0 | 0 | 0 | 0 | 114.6 | S10 | S10-S14 PolarHBondContact O-N 2.65Å; S10-S14 PolarHBondContact O-OG 2.92Å |
| 15 | G | 40 | Very low | 58.1 | Low | 46 Ų | 46 | 77.5 Ų | 77.5 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | trans | -102.5 | 30.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | F17 | G15-F17 VanDerWaalsContact C-N 3.27Å; G15-F17 WeakPolarHBondContact O-CD2 3.39Å; G15-F17 PolarHBondContact O-N 2.98Å | ||
| 16 | V | 38.9 | Very low | 59.5 | Low | 103 Ų | 103 | 76.5 Ų | 76.5 | 62% | 0.624 | 43% | 0.434 | S | S | * | . | trans | -75.6 | 88.2 | 173 | -173.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 17 | F | 42.2 | Very low | 60.6 | Low | 155 Ų | 155 | 76.2 Ų | 76.2 | 68% | 0.68 | 44% | 0.438 | S | S | * | . | trans | -65.1 | 136.3 | 162.4 | -68.5 | -83.1 | 0 | 0 | 0 | 107.7 | G15 D19 | G15-F17 VanDerWaalsContact C-N 3.27Å; G15-F17 WeakPolarHBondContact O-CD2 3.39Å; G15-F17 PolarHBondContact O-N 2.98Å; F17-D19 PolarHBondContact O-N 2.94Å; F17-D19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | P | 40.2 | Very low | 61.9 | Low | 48 Ų | 48 | 74 Ų | 74 | 31% | 0.312 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -54.7 | 118.7 | 160.2 | 24.9 | -29.8 | 0 | 0 | 0 | 106.6 | S22 V24 | P18-S22 WeakPolarHBondContact CA-OG 3.1Å; P18-V24 VanDerWaalsContact CB-O 3.29Å; P18-V24 WeakPolarHBondContact CB-O 3.33Å |
| 19 | D | 56.9 | Low | 63.2 | Low | 26 Ų | 26 | 68.8 Ų | 68.8 | 14% | 0.139 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -159 | 177.8 | -179 | -163.5 | 2.1 | 0 | 0 | 0 | 108.6 | F17 H21 S22 H23 H65 | F17-D19 PolarHBondContact O-N 2.94Å; F17-D19 VanDerWaalsContact O-N 3.13Å; D19-H21 PolarHBondContact O-N 3.5Å; D19-H21 IonicContact OD2-CD2 2.69Å; D19-S22 PolarHBondContact N-OG 2.65Å; D19-S22 VanDerWaalsContact N-OG 3.09Å; D19-S22 PolarHBondContact O-N 2.75Å; D19-S22 PolarHBondContact O-OG 2.97Å; D19-H23 PolarHBondContact O-N 3.13Å; D19-H65 IonicContact OD2-CD2 3.55Å; D19-H65 IonicContact OD2-CG 3.85Å |
| 20 | E | 63.8 | Low | 64.8 | Low | 14 Ų | 14 | 65.7 Ų | 65.7 | 7% | 0.065 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -20.2 | 166.9 | 68.3 | 178.8 | -170.7 | 0 | 0 | 112.8 | H23 Y25 W34 | E20-H23 PolarHBondContact O-CE1 3.09Å; E20-H23 PolarHBondContact O-ND1 2.73Å; E20-H23 VanDerWaalsContact O-ND1 3.12Å; E20-Y25 WeakPolarHBondContact CA-OH 3.32Å; E20-W34 PolarHBondContact OE2-NE1 2.95Å |
| 21 | H | 69.4 | Low | 66.8 | Low | 109 Ų | 109 | 62.3 Ų | 62.3 | 51% | 0.505 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -35.1 | 174.7 | -65.1 | -25.8 | 0 | 0 | 0 | 114.4 | D19 H67 | D19-H21 PolarHBondContact O-N 3.5Å; D19-H21 IonicContact OD2-CD2 2.69Å; H21-H67 AromaticContact CE1-CD2 3.54Å; H21-H67 AromaticContact CE1-CG 3.56Å; H21-H67 AromaticContact NE2-CD2 3.82Å |
| 22 | S | 78.9 | Confident | 68.7 | Low | 33 Ų | 33 | 59.2 Ų | 59.2 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -13.8 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | P18 D19 V24 | P18-S22 WeakPolarHBondContact CA-OG 3.1Å; D19-S22 PolarHBondContact N-OG 2.65Å; D19-S22 VanDerWaalsContact N-OG 3.09Å; D19-S22 PolarHBondContact O-N 2.75Å; D19-S22 PolarHBondContact O-OG 2.97Å; S22-V24 PolarHBondContact O-N 2.99Å |
| 23 | H | 84.8 | Confident | 70.7 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 11% | 0.106 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 33.8 | -171.6 | -53.1 | -66.7 | 0 | 0 | 0 | 112.6 | D19 E20 D125 D126 Q158 F193 R196 | D19-H23 PolarHBondContact O-N 3.13Å; E20-H23 PolarHBondContact O-CE1 3.09Å; E20-H23 PolarHBondContact O-ND1 2.73Å; E20-H23 VanDerWaalsContact O-ND1 3.12Å; H23-D125 IonicContact CE1-OD1 3.97Å; H23-D125 IonicContact CG-OD1 3.97Å; H23-D125 IonicContact ND1-OD1 2.64Å; H23-D125 PolarHBondContact ND1-OD1 2.87Å; H23-D125 IonicContact ND1-OD2 3.62Å; H23-D126 IonicContact CE1-OD2 2.93Å; H23-Q158 VanDerWaalsContact O-CG 3.26Å; H23-Q158 WeakPolarHBondContact O-CG 3.39Å; H23-Q158 PolarHBondContact O-NE2 2.99Å; H23-Q158 VanDerWaalsContact O-NE2 3.08Å; H23-F193 HydrophobicContact CB-CE1 4.4Å; H23-F193 HydrophobicContact CB-CE2 3.54Å; H23-F193 HydrophobicContact CB-CZ 3.32Å; H23-F193 AromaticContact CD2-CZ 3.68Å; H23-F193 AromaticContact CG-CZ 3.58Å; H23-R196 PolarHBondContact CE1-NH2 2.97Å; H23-R196 PolarHBondContact ND1-NH2 3.37Å; H23-R196 PolarHBondContact NE2-NH2 3.08Å |
| 24 | V | 89 | Confident | 73.1 | Confident | 53 Ų | 53 | 48.9 Ų | 48.9 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | trans | -130.8 | 124.6 | 180 | 176 | 0 | 0 | 0 | 0 | 106.7 | P18 S22 N157 Q158 | P18-V24 VanDerWaalsContact CB-O 3.29Å; P18-V24 WeakPolarHBondContact CB-O 3.33Å; S22-V24 PolarHBondContact O-N 2.99Å; V24-N157 WeakPolarHBondContact CA-O 3.44Å; V24-N157 HydrophobicContact CG1-CB 4.17Å; V24-Q158 HydrophobicContact CG2-CG 4.3Å | ||
| 25 | Y | 89.5 | Confident | 75.6 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | trans | -122.6 | 135.2 | -174 | -62 | -83.1 | 0 | 0 | 0 | 111.3 | E20 E29 V31 F88 D125 N157 I159 | E20-Y25 WeakPolarHBondContact CA-OH 3.32Å; Y25-E29 VanDerWaalsContact CA-OE2 3.23Å; Y25-E29 WeakPolarHBondContact CA-OE2 3.35Å; Y25-E29 HydrophobicContact CD1-CG 4.49Å; Y25-V31 HydrophobicContact CD1-CG2 4.12Å; Y25-V31 HydrophobicContact CE1-CG2 4.18Å; Y25-F88 HydrophobicContact CD2-CD2 4.43Å; Y25-F88 HydrophobicContact CD2-CE2 4.47Å; Y25-F88 HydrophobicContact CG-CD2 4.24Å; Y25-F88 HydrophobicContact CG-CG 4.46Å; Y25-F88 WeakPolarHBondContact O-CE1 3.48Å; Y25-D125 HydrophobicContact CE2-CB 4.34Å; Y25-D125 PolarHBondContact OH-OD1 3.32Å; Y25-N157 PolarHBondContact N-O 3.45Å; Y25-N157 WeakPolarHBondContact O-CB 3.35Å; Y25-I159 HydrophobicContact CD2-CD1 4.04Å; Y25-I159 HydrophobicContact CD2-CG1 3.97Å; Y25-I159 HydrophobicContact CE2-CD1 3.66Å; Y25-I159 HydrophobicContact CE2-CG1 3.86Å | ||
| 26 | D | 89.8 | Confident | 78 | Confident | 94 Ų | 94 | 42.6 Ų | 42.6 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | trans | -77.7 | 157.2 | 167.4 | -79.7 | -30 | 0 | 0 | 0 | 111.3 | A28 E29 F88 | D26-A28 PolarHBondContact O-N 2.85Å; D26-E29 HydrophobicContact CB-CB 4.41Å; D26-E29 PolarHBondContact N-OE2 2.9Å; D26-E29 WeakPolarHBondContact O-CB 3.35Å; D26-E29 PolarHBondContact O-N 2.83Å; D26-F88 WeakPolarHBondContact O-CB 3.5Å; D26-F88 VanDerWaalsContact O-CD1 3.31Å; D26-F88 WeakPolarHBondContact O-CD1 3.14Å | ||
| 27 | V | 89.2 | Confident | 80.6 | Confident | 99 Ų | 99 | 38 Ų | 38 | 60% | 0.6 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 133.1 | 179.6 | -176 | 0 | 0 | 0 | 0 | 109.9 | E29 K89 | V27-E29 PolarHBondContact O-N 3.22Å; V27-K89 HydrophobicContact CG2-CD 4.27Å |
| 28 | A | 88.6 | Confident | 83 | Confident | 43 Ų | 43 | 30.7 Ų | 30.7 | 36% | 0.355 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 9.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D26 R87 F88 I90 | D26-A28 PolarHBondContact O-N 2.85Å; A28-R87 WeakPolarHBondContact O-CD 3.41Å; A28-F88 PolarHBondContact N-O 2.75Å; A28-I90 HydrophobicContact CB-CD1 3.48Å; A28-I90 VanDerWaalsContact CB-CD1 3.48Å; A28-I90 HydrophobicContact CB-CG1 4.47Å |
| 29 | E | 88.2 | Confident | 85.4 | Confident | 41 Ų | 41 | 28.4 Ų | 28.4 | 19% | 0.192 | 16% | 0.159 | C | C | . | . | trans | -63.7 | 151.3 | 171.3 | -169.2 | 168.2 | -170.1 | 0 | 0 | 111.1 | Y25 D26 V27 V31 R87 F88 | Y25-E29 VanDerWaalsContact CA-OE2 3.23Å; Y25-E29 WeakPolarHBondContact CA-OE2 3.35Å; Y25-E29 HydrophobicContact CD1-CG 4.49Å; D26-E29 HydrophobicContact CB-CB 4.41Å; D26-E29 PolarHBondContact N-OE2 2.9Å; D26-E29 WeakPolarHBondContact O-CB 3.35Å; D26-E29 PolarHBondContact O-N 2.83Å; V27-E29 PolarHBondContact O-N 3.22Å; E29-V31 PolarHBondContact O-N 3Å; E29-R87 CarbonylContact O-C 3.54Å; E29-R87 VanDerWaalsContact O-CA 3.31Å; E29-R87 WeakPolarHBondContact O-CA 3.43Å; E29-F88 PolarHBondContact O-N 2.72Å | ||
| 30 | E | 87.8 | Confident | 87 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 132 | 174.7 | 175.9 | 165.2 | -159.3 | 0 | 0 | 110.9 | V32 K60 Y81 | E30-V32 HydrophobicContact CG-CG2 4.07Å; E30-K60 WeakPolarHBondContact OE1-CE 3.38Å; E30-K60 IonicContact OE1-NZ 2.65Å; E30-K60 PolarHBondContact OE1-NZ 3.01Å; E30-K60 IonicContact OE2-NZ 2.62Å; E30-K60 PolarHBondContact OE2-NZ 2.83Å; E30-Y81 PolarHBondContact OE1-OH 2.94Å |
| 31 | V | 89.1 | Confident | 88.1 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116.8 | 169.2 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | Y25 E29 I86 F88 L124 I159 W186 | Y25-V31 HydrophobicContact CD1-CG2 4.12Å; Y25-V31 HydrophobicContact CE1-CG2 4.18Å; E29-V31 PolarHBondContact O-N 3Å; V31-I86 HydrophobicContact CB-CB 4.32Å; V31-I86 HydrophobicContact CB-CG2 3.98Å; V31-I86 HydrophobicContact CG1-CG2 4.46Å; V31-I86 PolarHBondContact N-O 2.88Å; V31-I86 WeakPolarHBondContact O-CB 3.32Å; V31-F88 HydrophobicContact CG2-CB 4Å; V31-F88 HydrophobicContact CG2-CD2 4.4Å; V31-L124 HydrophobicContact CG1-CD1 4.15Å; V31-L124 HydrophobicContact CG1-CD2 3.73Å; V31-L124 HydrophobicContact CG1-CG 3.83Å; V31-I159 HydrophobicContact CG1-CD1 3.74Å; V31-I159 HydrophobicContact CG2-CD1 4.16Å; V31-W186 HydrophobicContact CG2-CH2 4.1Å; V31-W186 HydrophobicContact CG2-CZ2 4.26Å |
| 32 | V | 88.9 | Confident | 88.7 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | trans | -83.6 | 125.1 | -176.6 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | E30 W34 I63 Y81 | E30-V32 HydrophobicContact CG-CG2 4.07Å; V32-W34 HydrophobicContact CB-CZ2 4.34Å; V32-W34 HydrophobicContact CG1-CD2 3.72Å; V32-W34 HydrophobicContact CG1-CE3 4.24Å; V32-W34 HydrophobicContact CG1-CG 4.16Å; V32-W34 HydrophobicContact CG1-CH2 4.16Å; V32-W34 HydrophobicContact CG1-CZ2 3.63Å; V32-W34 HydrophobicContact CG1-CZ3 4.45Å; V32-I63 HydrophobicContact CG1-CG2 4.37Å; V32-I63 HydrophobicContact CG2-CG2 3.98Å; V32-Y81 HydrophobicContact CG1-CD2 3.85Å; V32-Y81 HydrophobicContact CG1-CE2 3.89Å | ||
| 33 | L | 90.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114 | 166.4 | 177.1 | 73.6 | 0 | 0 | 0 | 109.2 | M35 S82 I84 I86 M122 L124 I129 L150 | L33-M35 HydrophobicContact CD2-CE 4.34Å; L33-S82 WeakPolarHBondContact O-CB 3.46Å; L33-S82 PolarHBondContact O-N 3.37Å; L33-S82 PolarHBondContact O-OG 2.79Å; L33-I84 HydrophobicContact CD2-CD1 3.95Å; L33-I86 HydrophobicContact CB-CD1 3.82Å; L33-I86 HydrophobicContact CD2-CD1 4.46Å; L33-M122 HydrophobicContact CD1-CB 4.05Å; L33-M122 HydrophobicContact CD1-SD 4.44Å; L33-M122 HydrophobicContact CD2-SD 4.21Å; L33-L124 HydrophobicContact CD1-CB 4.01Å; L33-L124 HydrophobicContact CD1-CD1 4.21Å; L33-I129 HydrophobicContact CD1-CD1 4.06Å; L33-L150 HydrophobicContact CD2-CD1 3.84Å |
| 34 | W | 90.6 | Very high | 88.9 | Confident | 8 Ų | 8 | 30 Ų | 30 | 3% | 0.03 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 127.4 | 178.9 | -62.6 | 106.6 | 0 | 0 | 0 | 111 | E20 V32 I63 T66 L79 M122 Y123 | E20-W34 PolarHBondContact OE2-NE1 2.95Å; V32-W34 HydrophobicContact CB-CZ2 4.34Å; V32-W34 HydrophobicContact CG1-CD2 3.72Å; V32-W34 HydrophobicContact CG1-CE3 4.24Å; V32-W34 HydrophobicContact CG1-CG 4.16Å; V32-W34 HydrophobicContact CG1-CH2 4.16Å; V32-W34 HydrophobicContact CG1-CZ2 3.63Å; V32-W34 HydrophobicContact CG1-CZ3 4.45Å; W34-I63 HydrophobicContact CH2-CD1 3.84Å; W34-I63 HydrophobicContact CH2-CG2 4.22Å; W34-I63 HydrophobicContact CZ3-CD1 3.87Å; W34-T66 HydrophobicContact CH2-CG2 4.31Å; W34-L79 HydrophobicContact CB-CB 4.35Å; W34-L79 HydrophobicContact CB-CD2 3.96Å; W34-L79 HydrophobicContact CD2-CB 4.12Å; W34-L79 HydrophobicContact CD2-CD1 4.43Å; W34-L79 HydrophobicContact CE3-CB 3.76Å; W34-L79 HydrophobicContact CG-CB 4.4Å; W34-L79 HydrophobicContact CG-CD1 4.37Å; W34-L79 HydrophobicContact CG-CD2 4.49Å; W34-L79 HydrophobicContact CZ3-CB 4.39Å; W34-M122 CarbonylContact O-C 3.56Å; W34-M122 WeakPolarHBondContact O-CA 3.47Å; W34-M122 WeakPolarHBondContact O-CB 3.23Å; W34-Y123 PolarHBondContact N-O 2.87Å; W34-Y123 PolarHBondContact O-N 3.47Å |
| 35 | M | 91.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 125.7 | 166.2 | -60 | -68.3 | 178.1 | 0 | 0 | 107.8 | L33 Y50 F51 Q80 S82 M122 | L33-M35 HydrophobicContact CD2-CE 4.34Å; M35-Y50 HydrophobicContact CB-CD1 3.71Å; M35-Y50 HydrophobicContact CB-CE1 4.44Å; M35-Y50 HydrophobicContact CB-CG 3.75Å; M35-Y50 HydrophobicContact CE-CE1 4.19Å; M35-Y50 HydrophobicContact CG-CD1 3.71Å; M35-Y50 HydrophobicContact CG-CE1 3.97Å; M35-Y50 HydrophobicContact CG-CG 4.19Å; M35-Y50 HydrophobicContact SD-CD1 3.86Å; M35-Y50 HydrophobicContact SD-CD2 4.35Å; M35-Y50 HydrophobicContact SD-CE1 3.62Å; M35-Y50 HydrophobicContact SD-CE2 4.17Å; M35-Y50 HydrophobicContact SD-CG 4.22Å; M35-F51 HydrophobicContact CG-CZ 4.31Å; M35-Q80 HydrophobicContact CB-CB 4.5Å; M35-Q80 WeakPolarHBondContact CB-O 3.47Å; M35-Q80 PolarHBondContact N-O 2.88Å; M35-Q80 PolarHBondContact O-N 2.97Å; M35-S82 VanDerWaalsContact CE-CB 3.4Å; M35-M122 HydrophobicContact CE-SD 3.81Å; M35-M122 HydrophobicContact SD-CG 3.61Å; M35-M122 HydrophobicContact SD-SD 3.5Å |
| 36 | N | 91.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -100.8 | -178.8 | -175.9 | 30.6 | 0 | 0 | 0 | 110.3 | Y50 T77 E78 L79 Q121 Y123 | N36-Y50 PolarHBondContact O-N 2.94Å; N36-Y50 VanDerWaalsContact O-N 3.17Å; N36-T77 WeakPolarHBondContact OD1-CA 3.49Å; N36-E78 WeakPolarHBondContact CA-O 3.49Å; N36-E78 PolarHBondContact OD1-N 2.87Å; N36-L79 HydrophobicContact CB-CD2 4.16Å; N36-Q121 HydrophobicContact CB-CB 4.34Å; N36-Q121 PolarHBondContact N-O 2.89Å; N36-Q121 PolarHBondContact ND2-OE1 2.89Å; N36-Y123 HydrophobicContact CB-CD2 4.05Å; N36-Y123 HydrophobicContact CB-CE2 4.17Å |
| 37 | T | 92.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 159.1 | -172.7 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | Y48 Y120 Q121 S376 | T37-Y48 CarbonylContact C-O 3.6Å; T37-Y48 WeakPolarHBondContact CA-O 3.49Å; T37-Y48 WeakPolarHBondContact CB-O 3.31Å; T37-Y120 CarbonylContact O-C 3.6Å; T37-Y120 WeakPolarHBondContact O-CA 3.42Å; T37-Q121 PolarHBondContact O-N 1.99Å; T37-S376 WeakPolarHBondContact CG2-OG 3.31Å |
| 38 | I | 92.7 | Very high | 88.7 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.4 | 171.1 | -168.9 | 172.3 | 0 | 0 | 0 | 110 | T47 Y48 L53 F55 Y118 W119 V133 | I38-T47 CarbonylContact O-C 3.49Å; I38-T47 WeakPolarHBondContact O-CA 3.48Å; I38-Y48 PolarHBondContact N-O 2.89Å; I38-Y48 PolarHBondContact O-N 2.92Å; I38-L53 HydrophobicContact CD1-CD1 3.26Å; I38-L53 HydrophobicContact CD1-CG 3.86Å; I38-F55 HydrophobicContact CD1-CE2 4.27Å; I38-Y118 HydrophobicContact CD1-CD1 4.21Å; I38-Y118 HydrophobicContact CG1-CD1 3.96Å; I38-W119 WeakPolarHBondContact CA-O 3.46Å; I38-W119 VanDerWaalsContact CG1-O 3.31Å; I38-W119 WeakPolarHBondContact CG1-O 3.12Å; I38-V133 HydrophobicContact CD1-CG2 3.59Å; I38-V133 HydrophobicContact CG1-CG2 4.42Å |
| 39 | G | 91.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170 | 168.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y118 W119 | G39-Y118 VanDerWaalsContact O-CA 3.31Å; G39-Y118 WeakPolarHBondContact O-CA 3.41Å; G39-W119 PolarHBondContact N-O 2.83Å; G39-W119 PolarHBondContact O-N 2.9Å; G39-W119 PolarHBondContact O-NE1 2.86Å |
| 40 | P | 90.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.032 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 144.3 | 174.1 | 27.5 | -36.1 | 0 | 0 | 0 | 111.9 | H42 N43 E46 Y118 W119 | P40-H42 VanDerWaalsContact C-N 3.3Å; P40-H42 PolarHBondContact O-N 2.75Å; P40-N43 HydrophobicContact CG-CB 3.83Å; P40-N43 PolarHBondContact O-N 3.4Å; P40-E46 WeakPolarHBondContact CD-O 3.3Å; P40-E46 HydrophobicContact CG-CB 4.41Å; P40-Y118 HydrophobicContact CB-CD2 4.02Å; P40-Y118 HydrophobicContact CB-CE2 3.65Å; P40-Y118 HydrophobicContact CG-CE2 4.2Å; P40-W119 PolarHBondContact O-NE1 2.87Å |
| 41 | Y | 86 | Confident | 89 | Confident | 113 Ų | 113 | 19.4 Ų | 19.4 | 44% | 0.443 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -62.9 | -33.9 | -179.8 | -178.4 | -106.6 | 0 | 0 | 0 | 113.9 | R44 Q117 | Y41-R44 VanDerWaalsContact CE2-NH2 3.31Å; Y41-R44 VanDerWaalsContact O-CG 3.3Å; Y41-R44 WeakPolarHBondContact O-CG 3.29Å; Y41-R44 PolarHBondContact O-NE 3.31Å; Y41-R44 PolarHBondContact OH-NH2 3.36Å; Y41-Q117 VanDerWaalsContact CB-O 3.31Å; Y41-Q117 WeakPolarHBondContact CB-O 3.42Å; Y41-Q117 PolarHBondContact N-O 3.25Å |
| 42 | H | 83.6 | Confident | 88.9 | Confident | 70 Ų | 70 | 24 Ų | 24 | 32% | 0.324 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -82.9 | -30.3 | -177.6 | -65.7 | -42.6 | 0 | 0 | 0 | 114.2 | P40 F533 | P40-H42 VanDerWaalsContact C-N 3.3Å; P40-H42 PolarHBondContact O-N 2.75Å; H42-F533 HydrophobicContact CB-CD1 4.46Å; H42-F533 HydrophobicContact CB-CE1 3.8Å |
| 43 | N | 86.1 | Confident | 88.9 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | trans | -111.2 | 71.5 | 179.6 | -61.6 | -17.3 | 0 | 0 | 0 | 110.3 | P40 Q45 E46 F533 Q537 | P40-N43 HydrophobicContact CG-CB 3.83Å; P40-N43 PolarHBondContact O-N 3.4Å; N43-Q45 PolarHBondContact O-N 3.3Å; N43-Q45 VanDerWaalsContact O-N 3.14Å; N43-E46 HydrophobicContact CB-CB 3.96Å; N43-E46 PolarHBondContact ND2-OE2 3.43Å; N43-E46 WeakPolarHBondContact O-CA 3.4Å; N43-E46 VanDerWaalsContact O-CB 3.29Å; N43-E46 WeakPolarHBondContact O-CB 3.39Å; N43-E46 PolarHBondContact O-N 3.14Å; N43-F533 WeakPolarHBondContact ND2-CE2 3.4Å; N43-F533 PolarHBondContact ND2-O 2.87Å; N43-F533 PolarHBondContact OD1-N 2.83Å; N43-F533 PolarHBondContact OD1-O 3.45Å; N43-F533 VanDerWaalsContact OD1-O 3.08Å; N43-Q537 HydrophobicContact CB-CB 4.35Å; N43-Q537 HydrophobicContact CB-CG 4.36Å | ||
| 44 | R | 80.3 | Confident | 88.9 | Confident | 47 Ų | 47 | 25.9 Ų | 25.9 | 18% | 0.177 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.9 | -167.8 | -65.3 | -176.5 | 175.8 | 177.1 | -7.8 | 115.8 | Y41 A463 | Y41-R44 VanDerWaalsContact CE2-NH2 3.31Å; Y41-R44 VanDerWaalsContact O-CG 3.3Å; Y41-R44 WeakPolarHBondContact O-CG 3.29Å; Y41-R44 PolarHBondContact O-NE 3.31Å; Y41-R44 PolarHBondContact OH-NH2 3.36Å; R44-A463 PolarHBondContact NH1-O 2.99Å |
| 45 | Q | 84.1 | Confident | 88.8 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 7% | 0.065 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -20.7 | 175.5 | -49.4 | -68.4 | -36.6 | 0 | 0 | 110.6 | N43 T47 R377 W462 F536 F540 | N43-Q45 PolarHBondContact O-N 3.3Å; N43-Q45 VanDerWaalsContact O-N 3.14Å; Q45-T47 VanDerWaalsContact C-N 3.34Å; Q45-T47 PolarHBondContact O-N 3.01Å; Q45-T47 PolarHBondContact O-OG1 3.03Å; Q45-R377 WeakPolarHBondContact O-CG 3.31Å; Q45-W462 HydrophobicContact CG-CE3 4.41Å; Q45-W462 HydrophobicContact CG-CZ3 3.94Å; Q45-F536 HydrophobicContact CB-CE1 4.23Å; Q45-F536 WeakPolarHBondContact O-CE1 3.37Å; Q45-F540 HydrophobicContact CB-CD1 4.05Å; Q45-F540 HydrophobicContact CB-CE1 4.28Å; Q45-F540 HydrophobicContact CB-CG 4.29Å; Q45-F540 HydrophobicContact CG-CD1 3.75Å; Q45-F540 HydrophobicContact CG-CE1 3.85Å; Q45-F540 HydrophobicContact CG-CG 4.46Å |
| 46 | E | 87.9 | Confident | 88.6 | Confident | 26 Ų | 26 | 27.8 Ų | 27.8 | 12% | 0.121 | 14% | 0.138 | C | C | . | . | trans | -75.8 | 89.9 | 174.8 | -165.8 | -176.4 | 160.1 | 0 | 0 | 108.4 | P40 N43 Y48 T375 F536 | P40-E46 WeakPolarHBondContact CD-O 3.3Å; P40-E46 HydrophobicContact CG-CB 4.41Å; N43-E46 HydrophobicContact CB-CB 3.96Å; N43-E46 PolarHBondContact ND2-OE2 3.43Å; N43-E46 WeakPolarHBondContact O-CA 3.4Å; N43-E46 VanDerWaalsContact O-CB 3.29Å; N43-E46 WeakPolarHBondContact O-CB 3.39Å; N43-E46 PolarHBondContact O-N 3.14Å; E46-Y48 HydrophobicContact CG-CE2 3.88Å; E46-Y48 WeakPolarHBondContact CG-OH 3.34Å; E46-Y48 PolarHBondContact OE1-OH 3.49Å; E46-T375 HydrophobicContact CG-CG2 4.31Å; E46-F536 HydrophobicContact CB-CD1 3.91Å; E46-F536 HydrophobicContact CB-CE1 4.19Å; E46-F536 HydrophobicContact CG-CD1 4.1Å | ||
| 47 | T | 90.3 | Very high | 88.4 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | trans | -122.2 | 149 | -176.5 | 39.5 | 0 | 0 | 0 | 0 | 109.5 | I38 Q45 T375 S376 R377 | I38-T47 CarbonylContact O-C 3.49Å; I38-T47 WeakPolarHBondContact O-CA 3.48Å; Q45-T47 VanDerWaalsContact C-N 3.34Å; Q45-T47 PolarHBondContact O-N 3.01Å; Q45-T47 PolarHBondContact O-OG1 3.03Å; T47-T375 CarbonylContact O-C 3.46Å; T47-T375 WeakPolarHBondContact O-CA 3.35Å; T47-T375 WeakPolarHBondContact O-CB 3.24Å; T47-S376 VanDerWaalsContact C-OG 3.24Å; T47-S376 WeakPolarHBondContact CB-OG 3.47Å; T47-S376 PolarHBondContact O-N 3.48Å; T47-S376 PolarHBondContact O-OG 3.37Å; T47-S376 PolarHBondContact OG1-OG 3Å; T47-R377 VanDerWaalsContact OG1-CG 3.25Å; T47-R377 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 48 | Y | 91.4 | Very high | 87.9 | Confident | 33 Ų | 33 | 35.3 Ų | 35.3 | 13% | 0.129 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 157.6 | -179 | -55.8 | -81.8 | 0 | 0 | 0 | 108.4 | T37 I38 E46 Y373 R374 T375 | T37-Y48 CarbonylContact C-O 3.6Å; T37-Y48 WeakPolarHBondContact CA-O 3.49Å; T37-Y48 WeakPolarHBondContact CB-O 3.31Å; I38-Y48 PolarHBondContact N-O 2.89Å; I38-Y48 PolarHBondContact O-N 2.92Å; E46-Y48 HydrophobicContact CG-CE2 3.88Å; E46-Y48 WeakPolarHBondContact CG-OH 3.34Å; E46-Y48 PolarHBondContact OE1-OH 3.49Å; Y48-Y373 WeakPolarHBondContact CE1-O 3.48Å; Y48-R374 WeakPolarHBondContact CD1-O 3.29Å; Y48-T375 HydrophobicContact CE1-CG2 3.98Å |
| 49 | G | 89.8 | Confident | 87.2 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 143.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F51 T52 E78 | G49-F51 VanDerWaalsContact C-N 3.33Å; G49-F51 PolarHBondContact O-N 3.44Å; G49-T52 WeakPolarHBondContact O-CB 2.87Å; G49-T52 PolarHBondContact O-N 3.12Å; G49-T52 PolarHBondContact O-OG1 3.42Å; G49-E78 WeakPolarHBondContact CA-OE2 3.35Å |
| 50 | Y | 90.2 | Very high | 86.4 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -52.7 | -44.9 | -174.2 | -178.2 | -103.3 | 0 | 0 | 0 | 113.9 | M35 N36 T52 F55 Y120 K148 | M35-Y50 HydrophobicContact CB-CD1 3.71Å; M35-Y50 HydrophobicContact CB-CE1 4.44Å; M35-Y50 HydrophobicContact CB-CG 3.75Å; M35-Y50 HydrophobicContact CE-CE1 4.19Å; M35-Y50 HydrophobicContact CG-CD1 3.71Å; M35-Y50 HydrophobicContact CG-CE1 3.97Å; M35-Y50 HydrophobicContact CG-CG 4.19Å; M35-Y50 HydrophobicContact SD-CD1 3.86Å; M35-Y50 HydrophobicContact SD-CD2 4.35Å; M35-Y50 HydrophobicContact SD-CE1 3.62Å; M35-Y50 HydrophobicContact SD-CE2 4.17Å; M35-Y50 HydrophobicContact SD-CG 4.22Å; N36-Y50 PolarHBondContact O-N 2.94Å; N36-Y50 VanDerWaalsContact O-N 3.17Å; Y50-T52 PolarHBondContact O-N 3.26Å; Y50-T52 VanDerWaalsContact O-N 3.16Å; Y50-F55 HydrophobicContact CE1-CB 4Å; Y50-F55 AromaticContact CE1-CD2 3.94Å; Y50-F55 HydrophobicContact CE1-CD2 3.94Å; Y50-F55 HydrophobicContact CE1-CG 4.08Å; Y50-F55 HydrophobicContact CE2-CD2 4.1Å; Y50-F55 HydrophobicContact CE2-CE2 4.08Å; Y50-F55 AromaticContact CZ-CD2 3.69Å; Y50-F55 AromaticContact CZ-CE2 3.99Å; Y50-Y120 HydrophobicContact CD2-CD2 4.22Å; Y50-Y120 HydrophobicContact CD2-CG 4.18Å; Y50-Y120 HydrophobicContact CE2-CD1 4.26Å; Y50-Y120 AromaticContact CE2-CD2 3.56Å; Y50-Y120 HydrophobicContact CE2-CD2 3.56Å; Y50-Y120 HydrophobicContact CE2-CE2 4.2Å; Y50-Y120 AromaticContact CE2-CG 3.6Å; Y50-Y120 HydrophobicContact CE2-CG 3.6Å; Y50-K148 PolarHBondContact OH-NZ 2.93Å |
| 51 | F | 90.1 | Very high | 85.6 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 18% | 0.18 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -77.3 | 11.1 | 179.1 | -62.7 | -59.4 | 0 | 0 | 0 | 114.5 | M35 G49 L53 F55 R57 Q80 Y81 | M35-F51 HydrophobicContact CG-CZ 4.31Å; G49-F51 VanDerWaalsContact C-N 3.33Å; G49-F51 PolarHBondContact O-N 3.44Å; F51-L53 VanDerWaalsContact C-N 3.3Å; F51-L53 CarbonylContact C-O 3.49Å; F51-L53 VanDerWaalsContact O-O 3.12Å; F51-F55 HydrophobicContact CD1-CB 4.27Å; F51-R57 HydrophobicContact CD1-CG 4.29Å; F51-R57 HydrophobicContact CD2-CG 4.42Å; F51-R57 HydrophobicContact CE1-CG 3.64Å; F51-R57 HydrophobicContact CE2-CG 3.84Å; F51-R57 HydrophobicContact CZ-CB 4.49Å; F51-R57 HydrophobicContact CZ-CG 3.43Å; F51-R57 VanDerWaalsContact CZ-CG 3.43Å; F51-Q80 HydrophobicContact CD2-CB 4.02Å; F51-Q80 HydrophobicContact CE2-CB 3.82Å; F51-Y81 WeakPolarHBondContact CE2-O 3.5Å |
| 52 | T | 87.9 | Confident | 85 | Confident | 98 Ų | 98 | 47.2 Ų | 47.2 | 60% | 0.601 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -67.5 | -35.4 | 168.2 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | G49 Y50 | G49-T52 WeakPolarHBondContact O-CB 2.87Å; G49-T52 PolarHBondContact O-N 3.12Å; G49-T52 PolarHBondContact O-OG1 3.42Å; Y50-T52 PolarHBondContact O-N 3.26Å; Y50-T52 VanDerWaalsContact O-N 3.16Å |
| 53 | L | 90.1 | Very high | 84.3 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -76.8 | 149.1 | 162.4 | -72.7 | -171 | 0 | 0 | 0 | 109.2 | I38 F51 F55 A109 F110 A113 V133 | I38-L53 HydrophobicContact CD1-CD1 3.26Å; I38-L53 HydrophobicContact CD1-CG 3.86Å; F51-L53 VanDerWaalsContact C-N 3.3Å; F51-L53 CarbonylContact C-O 3.49Å; F51-L53 VanDerWaalsContact O-O 3.12Å; L53-F55 HydrophobicContact CB-CD2 3.76Å; L53-F55 HydrophobicContact CB-CE2 3.84Å; L53-F55 HydrophobicContact CD1-CE2 3.92Å; L53-F55 PolarHBondContact O-N 2.99Å; L53-A109 HydrophobicContact CD2-CB 3.98Å; L53-F110 HydrophobicContact CB-CE1 4.09Å; L53-F110 HydrophobicContact CD1-CD1 4.11Å; L53-F110 HydrophobicContact CD1-CE1 4.23Å; L53-A113 HydrophobicContact CD1-CB 3.72Å; L53-A113 HydrophobicContact CD2-CB 4.15Å; L53-V133 HydrophobicContact CD1-CG1 4.37Å; L53-V133 HydrophobicContact CD1-CG2 4.14Å |
| 54 | P | 89 | Confident | 83 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 29% | 0.292 | 27% | 0.27 | S | S | . | . | trans | -75.9 | 49.9 | -175.5 | 29.2 | -29.7 | 0 | 0 | 0 | 112.5 | V100 A106 F110 | P54-V100 WeakPolarHBondContact O-CG1 3.41Å; P54-A106 HydrophobicContact CB-CB 4.13Å; P54-A106 HydrophobicContact CG-CB 3.5Å; P54-A106 VanDerWaalsContact CG-CB 3.5Å; P54-F110 HydrophobicContact CG-CD2 4.15Å; P54-F110 HydrophobicContact CG-CE1 4.5Å; P54-F110 HydrophobicContact CG-CE2 3.63Å; P54-F110 HydrophobicContact CG-CZ 3.82Å | ||
| 55 | F | 89.8 | Confident | 82 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 10% | 0.096 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 146.3 | 164.1 | -70.4 | -65.6 | 0 | 0 | 0 | 109.8 | I38 Y50 F51 L53 F110 V133 I144 F180 | I38-F55 HydrophobicContact CD1-CE2 4.27Å; Y50-F55 HydrophobicContact CE1-CB 4Å; Y50-F55 AromaticContact CE1-CD2 3.94Å; Y50-F55 HydrophobicContact CE1-CD2 3.94Å; Y50-F55 HydrophobicContact CE1-CG 4.08Å; Y50-F55 HydrophobicContact CE2-CD2 4.1Å; Y50-F55 HydrophobicContact CE2-CE2 4.08Å; Y50-F55 AromaticContact CZ-CD2 3.69Å; Y50-F55 AromaticContact CZ-CE2 3.99Å; F51-F55 HydrophobicContact CD1-CB 4.27Å; L53-F55 HydrophobicContact CB-CD2 3.76Å; L53-F55 HydrophobicContact CB-CE2 3.84Å; L53-F55 HydrophobicContact CD1-CE2 3.92Å; L53-F55 PolarHBondContact O-N 2.99Å; F55-F110 HydrophobicContact CD1-CE1 4.11Å; F55-F110 HydrophobicContact CD1-CZ 4.17Å; F55-F110 HydrophobicContact CD2-CE1 4.37Å; F55-F110 AromaticContact CE1-CE1 3.8Å; F55-F110 HydrophobicContact CE1-CE1 3.8Å; F55-F110 HydrophobicContact CE1-CZ 4.23Å; F55-F110 HydrophobicContact CE2-CE1 4.09Å; F55-F110 HydrophobicContact CG-CE1 4.39Å; F55-F110 HydrophobicContact CG-CZ 4.49Å; F55-F110 AromaticContact CZ-CE1 3.79Å; F55-F110 HydrophobicContact CZ-CE1 3.79Å; F55-V133 HydrophobicContact CZ-CG1 4.05Å; F55-V133 HydrophobicContact CZ-CG2 4.39Å; F55-I144 HydrophobicContact CE1-CD1 4.09Å; F55-I144 HydrophobicContact CZ-CD1 4.49Å; F55-F180 HydrophobicContact CD1-CE1 4.18Å; F55-F180 HydrophobicContact CD1-CE2 4.46Å; F55-F180 AromaticContact CD1-CZ 3.94Å; F55-F180 HydrophobicContact CD1-CZ 3.94Å; F55-F180 AromaticContact CE1-CE1 4Å; F55-F180 HydrophobicContact CE1-CE1 4Å; F55-F180 AromaticContact CE1-CZ 3.99Å; F55-F180 HydrophobicContact CE1-CZ 3.99Å |
| 56 | C | 86.5 | Confident | 81.1 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 152.8 | 173.1 | 48.6 | 0 | 0 | 0 | 0 | 111.4 | C98 V100 | C56-C98 HydrophobicContact CB-CB 3.49Å; C56-C98 VanDerWaalsContact CB-CB 3.49Å; C56-C98 WeakPolarHBondContact CB-SG 3.49Å; C56-C98 WeakPolarHBondContact SG-CB 3.32Å; C56-C98 CovalentContact SG-SG 1.99Å; C56-C98 PolarHBondContact SG-SG 2.67Å; C56-V100 HydrophobicContact CB-CG2 3.69Å; C56-V100 WeakPolarHBondContact SG-CG2 3Å |
| 57 | R | 86.5 | Confident | 79.9 | Confident | 159 Ų | 159 | 61.5 Ų | 61.5 | 60% | 0.6 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 149.8 | 168.7 | -70.2 | 179.2 | -177 | -177.4 | 1.5 | 109.4 | F51 | F51-R57 HydrophobicContact CD1-CG 4.29Å; F51-R57 HydrophobicContact CD2-CG 4.42Å; F51-R57 HydrophobicContact CE1-CG 3.64Å; F51-R57 HydrophobicContact CE2-CG 3.84Å; F51-R57 HydrophobicContact CZ-CB 4.49Å; F51-R57 HydrophobicContact CZ-CG 3.43Å; F51-R57 VanDerWaalsContact CZ-CG 3.43Å |
| 58 | G | 82.3 | Confident | 78.9 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 9% | 0.093 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K60 S82 G83 | G58-K60 VanDerWaalsContact C-N 3.26Å; G58-K60 PolarHBondContact O-N 3.16Å; G58-S82 PolarHBondContact N-O 2.97Å; G58-G83 CarbonylContact C-O 3.49Å; G58-G83 VanDerWaalsContact C-O 3.29Å; G58-G83 WeakPolarHBondContact CA-O 3.41Å |
| 59 | P | 77.4 | Confident | 78.3 | Confident | 86 Ų | 86 | 67.6 Ų | 67.6 | 56% | 0.558 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -70.4 | -18.1 | -169.6 | 28.2 | -36.2 | 0 | 0 | 0 | 114.2 | G83 | P59-G83 WeakPolarHBondContact CD-O 3.3Š|
| 60 | K | 76 | Confident | 77.9 | Confident | 38 Ų | 38 | 70 Ų | 70 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | trans | -82.1 | 134.1 | -177.4 | -172 | 161.5 | 166.9 | -172.3 | 0 | 111.1 | E30 G58 S62 Y81 G83 D85 | E30-K60 WeakPolarHBondContact OE1-CE 3.38Å; E30-K60 IonicContact OE1-NZ 2.65Å; E30-K60 PolarHBondContact OE1-NZ 3.01Å; E30-K60 IonicContact OE2-NZ 2.62Å; E30-K60 PolarHBondContact OE2-NZ 2.83Å; G58-K60 VanDerWaalsContact C-N 3.26Å; G58-K60 PolarHBondContact O-N 3.16Å; K60-S62 VanDerWaalsContact CE-O 3.26Å; K60-S62 WeakPolarHBondContact CE-O 3.44Å; K60-Y81 HydrophobicContact CB-CE1 4.08Å; K60-Y81 WeakPolarHBondContact CD-OH 3.47Å; K60-Y81 WeakPolarHBondContact CE-OH 3.45Å; K60-Y81 HydrophobicContact CG-CE1 4.1Å; K60-Y81 WeakPolarHBondContact CG-OH 3.24Å; K60-Y81 WeakPolarHBondContact O-CE1 2.94Å; K60-G83 WeakPolarHBondContact CB-O 2.97Å; K60-G83 PolarHBondContact N-O 2.98Å; K60-G83 VanDerWaalsContact N-O 3.16Å; K60-D85 HydrophobicContact CD-CB 4.09Å | ||
| 61 | I | 72.6 | Confident | 77.6 | Confident | 164 Ų | 164 | 69.9 Ų | 69.9 | 84% | 0.841 | 37% | 0.367 | S | S | * | . | trans | -103.1 | -33 | -169.3 | -58.9 | 168.3 | 0 | 0 | 0 | 112.4 | ||||
| 62 | S | 72.8 | Confident | 77.4 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 58% | 0.58 | 36% | 0.36 | S | S | * | . | trans | -110.8 | 147.4 | -175.7 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | K60 | K60-S62 VanDerWaalsContact CE-O 3.26Å; K60-S62 WeakPolarHBondContact CE-O 3.44Å | ||
| 63 | I | 68.7 | Low | 77.3 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 26% | 0.256 | 34% | 0.336 | S | S | . | . | trans | -116.7 | 149 | 170.3 | -36.9 | 170.2 | 0 | 0 | 0 | 106.9 | V32 W34 H65 T66 Y81 | V32-I63 HydrophobicContact CG1-CG2 4.37Å; V32-I63 HydrophobicContact CG2-CG2 3.98Å; W34-I63 HydrophobicContact CH2-CD1 3.84Å; W34-I63 HydrophobicContact CH2-CG2 4.22Å; W34-I63 HydrophobicContact CZ3-CD1 3.87Å; I63-H65 WeakPolarHBondContact CG2-O 3.21Å; I63-T66 HydrophobicContact CD1-CG2 4.44Å; I63-Y81 VanDerWaalsContact CD1-CB 3.44Å; I63-Y81 HydrophobicContact CD1-CD1 4.29Å; I63-Y81 HydrophobicContact CD1-CD2 3.7Å; I63-Y81 HydrophobicContact CD1-CG 3.57Å; I63-Y81 HydrophobicContact CG1-CD1 3.85Å; I63-Y81 HydrophobicContact CG1-CD2 3.6Å; I63-Y81 HydrophobicContact CG1-CE1 4.17Å; I63-Y81 HydrophobicContact CG1-CE2 3.95Å; I63-Y81 HydrophobicContact CG1-CG 3.54Å; I63-Y81 HydrophobicContact CG2-CD2 4.4Å; I63-Y81 HydrophobicContact CG2-CE2 4.38Å | ||
| 64 | E | 59.2 | Low | 77.1 | Confident | 125 Ų | 125 | 64.8 Ų | 64.8 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -79.5 | -33.6 | 178.2 | -66.3 | 177.5 | 176.4 | 0 | 0 | 111.5 | ||
| 65 | H | 60.5 | Low | 77 | Confident | 96 Ų | 96 | 65.7 Ų | 65.7 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | trans | -143.1 | 153.6 | -176.8 | -57.7 | -58 | 0 | 0 | 0 | 113.3 | D19 I63 | D19-H65 IonicContact OD2-CD2 3.55Å; D19-H65 IonicContact OD2-CG 3.85Å; I63-H65 WeakPolarHBondContact CG2-O 3.21Å | ||
| 66 | T | 63.5 | Low | 76.8 | Confident | 116 Ų | 116 | 65 Ų | 65 | 71% | 0.712 | 34% | 0.339 | S | S | * | . | trans | -134.5 | 135.2 | 170.9 | 57.2 | 0 | 0 | 0 | 0 | 108.7 | W34 I63 | W34-T66 HydrophobicContact CH2-CG2 4.31Å; I63-T66 HydrophobicContact CD1-CG2 4.44Å | ||
| 67 | H | 64.4 | Low | 76.7 | Confident | 72 Ų | 72 | 64.5 Ų | 64.5 | 33% | 0.333 | 34% | 0.335 | S | S | . | . | trans | -133.6 | 128.8 | 176.3 | -173.9 | -101.3 | 0 | 0 | 0 | 111.3 | H21 T69 E72 | H21-H67 AromaticContact CE1-CD2 3.54Å; H21-H67 AromaticContact CE1-CG 3.56Å; H21-H67 AromaticContact NE2-CD2 3.82Å; H67-T69 WeakPolarHBondContact CE1-CG2 3.17Å; H67-E72 IonicContact ND1-OE2 3.93Å | ||
| 68 | E | 68.6 | Low | 76.5 | Confident | 132 Ų | 132 | 60.2 Ų | 60.2 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | trans | -132 | 119.3 | 166.9 | -72.4 | -175.2 | 176.9 | 0 | 0 | 108.5 | ||||
| 69 | T | 79 | Confident | 76.6 | Confident | 35 Ų | 35 | 60.8 Ų | 60.8 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | trans | -82 | 158.2 | 170.3 | 62 | 0 | 0 | 0 | 0 | 111.6 | H67 G71 E72 A73 | H67-T69 WeakPolarHBondContact CE1-CG2 3.17Å; T69-G71 PolarHBondContact O-N 2.88Å; T69-E72 WeakPolarHBondContact CB-OE2 3.21Å; T69-E72 WeakPolarHBondContact CG2-OE2 3.34Å; T69-E72 PolarHBondContact N-OE2 2.89Å; T69-E72 PolarHBondContact O-N 3.08Å; T69-E72 WeakPolarHBondContact OG1-CB 3.27Å; T69-E72 WeakPolarHBondContact OG1-CG 3.34Å; T69-E72 PolarHBondContact OG1-N 3.48Å; T69-E72 PolarHBondContact OG1-OE2 2.98Å; T69-A73 PolarHBondContact O-N 2.89Å | ||
| 70 | L | 81.9 | Confident | 77 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56 | -37.7 | 170.4 | -175.5 | 67.6 | 0 | 0 | 0 | 112 | L74 I318 T383 S386 I390 | L70-L74 HydrophobicContact CG-CD1 4.34Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.47Å; L70-L74 VanDerWaalsContact O-N 3.16Å; L70-I318 HydrophobicContact CD2-CD1 4.09Å; L70-T383 HydrophobicContact CD1-CG2 3.88Å; L70-S386 WeakPolarHBondContact CD1-OG 3.43Å; L70-I390 HydrophobicContact CD2-CD1 4.09Å |
| 71 | G | 82.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T69 L74 Q75 S315 | T69-G71 PolarHBondContact O-N 2.88Å; G71-L74 PolarHBondContact O-N 2.64Å; G71-Q75 WeakPolarHBondContact O-CG 3.2Å; G71-Q75 PolarHBondContact O-N 3.08Å; G71-Q75 VanDerWaalsContact O-N 3.14Å; G71-S315 WeakPolarHBondContact CA-OG 3.32Å; G71-S315 PolarHBondContact N-OG 2.97Å |
| 72 | E | 85.6 | Confident | 78.2 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.023 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 175.9 | -76 | 165.8 | 143.2 | 0 | 0 | 111.8 | H67 T69 L74 Q75 G76 T77 R310 | H67-E72 IonicContact ND1-OE2 3.93Å; T69-E72 WeakPolarHBondContact CB-OE2 3.21Å; T69-E72 WeakPolarHBondContact CG2-OE2 3.34Å; T69-E72 PolarHBondContact N-OE2 2.89Å; T69-E72 PolarHBondContact O-N 3.08Å; T69-E72 WeakPolarHBondContact OG1-CB 3.27Å; T69-E72 WeakPolarHBondContact OG1-CG 3.34Å; T69-E72 PolarHBondContact OG1-N 3.48Å; T69-E72 PolarHBondContact OG1-OE2 2.98Å; E72-L74 PolarHBondContact O-N 3.11Å; E72-Q75 PolarHBondContact O-N 3.26Å; E72-G76 PolarHBondContact O-N 3.08Å; E72-T77 HydrophobicContact CB-CG2 4.29Å; E72-T77 HydrophobicContact CG-CG2 4.43Å; E72-T77 WeakPolarHBondContact O-CB 3.38Å; E72-T77 PolarHBondContact O-N 2.81Å; E72-T77 VanDerWaalsContact O-N 3.14Å; E72-R310 HydrophobicContact CG-CB 3.92Å; E72-R310 WeakPolarHBondContact OE1-CB 3.37Å; E72-R310 IonicContact OE1-CZ 3.27Å; E72-R310 IonicContact OE1-NE 3.77Å; E72-R310 PolarHBondContact OE1-NE 2.8Å; E72-R310 IonicContact OE1-NH2 3.75Å; E72-R310 PolarHBondContact OE1-NH2 2.84Å |
| 73 | A | 86.3 | Confident | 78.8 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T69 G76 T383 | T69-A73 PolarHBondContact O-N 2.89Å; A73-G76 PolarHBondContact O-N 2.98Å; A73-T383 HydrophobicContact CB-CG2 4.34Å |
| 74 | L | 86.6 | Confident | 79.8 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.3 | -22.9 | 175.3 | -72.5 | 168.2 | 0 | 0 | 0 | 113.8 | L70 G71 E72 G76 I314 I318 I379 T383 I387 | L70-L74 HydrophobicContact CG-CD1 4.34Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.47Å; L70-L74 VanDerWaalsContact O-N 3.16Å; G71-L74 PolarHBondContact O-N 2.64Å; E72-L74 PolarHBondContact O-N 3.11Å; L74-G76 VanDerWaalsContact C-N 3.27Å; L74-I314 HydrophobicContact CB-CG2 4.43Å; L74-I314 HydrophobicContact CD1-CG2 3.92Å; L74-I318 HydrophobicContact CD1-CD1 3.53Å; L74-I379 HydrophobicContact CD2-CD1 4.18Å; L74-I379 HydrophobicContact CD2-CG1 4.47Å; L74-I379 HydrophobicContact CD2-CG2 4.14Å; L74-T383 HydrophobicContact CD2-CG2 3.63Å; L74-T383 HydrophobicContact CG-CG2 3.87Å; L74-I387 HydrophobicContact CD1-CD1 3.98Å; L74-I387 HydrophobicContact CD2-CD1 3.55Å; L74-I387 HydrophobicContact CG-CD1 4.31Å |
| 75 | Q | 86.4 | Confident | 81.1 | Confident | 64 Ų | 64 | 39.6 Ų | 39.6 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -81.8 | -6.6 | 173.8 | -70.3 | 179.4 | -27.8 | 0 | 0 | 112.8 | G71 E72 T77 I314 R377 | G71-Q75 WeakPolarHBondContact O-CG 3.2Å; G71-Q75 PolarHBondContact O-N 3.08Å; G71-Q75 VanDerWaalsContact O-N 3.14Å; E72-Q75 PolarHBondContact O-N 3.26Å; Q75-T77 VanDerWaalsContact C-N 3.28Å; Q75-I314 HydrophobicContact CG-CD1 3.45Å; Q75-I314 VanDerWaalsContact CG-CD1 3.45Å; Q75-R377 WeakPolarHBondContact O-CD 3.41Å; Q75-R377 PolarHBondContact O-NE 2.64Å |
| 76 | G | 85.1 | Confident | 82.5 | Confident | 6 Ų | 6 | 35 Ų | 35 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 28 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E72 A73 L74 E78 S376 | E72-G76 PolarHBondContact O-N 3.08Å; A73-G76 PolarHBondContact O-N 2.98Å; L74-G76 VanDerWaalsContact C-N 3.27Å; G76-E78 PolarHBondContact O-N 2.85Å; G76-S376 VanDerWaalsContact CA-O 3.24Å; G76-S376 WeakPolarHBondContact CA-O 3.29Å |
| 77 | T | 84.7 | Confident | 83.9 | Confident | 16 Ų | 16 | 33.2 Ų | 33.2 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | trans | -71.4 | 120.1 | 170.7 | -61.2 | 0 | 0 | 0 | 0 | 107.8 | N36 E72 Q75 L79 | N36-T77 WeakPolarHBondContact OD1-CA 3.49Å; E72-T77 HydrophobicContact CB-CG2 4.29Å; E72-T77 HydrophobicContact CG-CG2 4.43Å; E72-T77 WeakPolarHBondContact O-CB 3.38Å; E72-T77 PolarHBondContact O-N 2.81Å; E72-T77 VanDerWaalsContact O-N 3.14Å; Q75-T77 VanDerWaalsContact C-N 3.28Å; T77-L79 HydrophobicContact CG2-CD1 4.39Å; T77-L79 HydrophobicContact CG2-CD2 3.6Å; T77-L79 HydrophobicContact CG2-CG 3.73Å | ||
| 78 | E | 82 | Confident | 85.2 | Confident | 69 Ų | 69 | 29.8 Ų | 29.8 | 32% | 0.322 | 15% | 0.147 | S | C | . | . | trans | -122.4 | 85.3 | -179.4 | -170.9 | -176.6 | 169.3 | 0 | 0 | 107.8 | N36 G49 G76 Q80 | N36-E78 WeakPolarHBondContact CA-O 3.49Å; N36-E78 PolarHBondContact OD1-N 2.87Å; G49-E78 WeakPolarHBondContact CA-OE2 3.35Å; G76-E78 PolarHBondContact O-N 2.85Å; E78-Q80 HydrophobicContact CG-CG 4.35Å; E78-Q80 PolarHBondContact O-N 2.81Å; E78-Q80 PolarHBondContact OE1-NE2 3.42Å | ||
| 79 | L | 85.2 | Confident | 86.3 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 11% | 0.11 | 13% | 0.13 | C | C | . | . | trans | -77.4 | 116.8 | -176.8 | -57.8 | 179.7 | 0 | 0 | 0 | 110 | W34 N36 T77 Y123 | W34-L79 HydrophobicContact CB-CB 4.35Å; W34-L79 HydrophobicContact CB-CD2 3.96Å; W34-L79 HydrophobicContact CD2-CB 4.12Å; W34-L79 HydrophobicContact CD2-CD1 4.43Å; W34-L79 HydrophobicContact CE3-CB 3.76Å; W34-L79 HydrophobicContact CG-CB 4.4Å; W34-L79 HydrophobicContact CG-CD1 4.37Å; W34-L79 HydrophobicContact CG-CD2 4.49Å; W34-L79 HydrophobicContact CZ3-CB 4.39Å; N36-L79 HydrophobicContact CB-CD2 4.16Å; T77-L79 HydrophobicContact CG2-CD1 4.39Å; T77-L79 HydrophobicContact CG2-CD2 3.6Å; T77-L79 HydrophobicContact CG2-CG 3.73Å; L79-Y123 HydrophobicContact CD2-CD2 4.08Å | ||
| 80 | Q | 85.4 | Confident | 87.1 | Confident | 35 Ų | 35 | 28.6 Ų | 28.6 | 16% | 0.164 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 138.5 | 177.7 | -60.3 | 179.8 | -14.7 | 0 | 0 | 109.1 | M35 F51 E78 S82 | M35-Q80 HydrophobicContact CB-CB 4.5Å; M35-Q80 WeakPolarHBondContact CB-O 3.47Å; M35-Q80 PolarHBondContact N-O 2.88Å; M35-Q80 PolarHBondContact O-N 2.97Å; F51-Q80 HydrophobicContact CD2-CB 4.02Å; F51-Q80 HydrophobicContact CE2-CB 3.82Å; E78-Q80 HydrophobicContact CG-CG 4.35Å; E78-Q80 PolarHBondContact O-N 2.81Å; E78-Q80 PolarHBondContact OE1-NE2 3.42Å; Q80-S82 PolarHBondContact O-N 2.72Å |
| 81 | Y | 85.3 | Confident | 87.7 | Confident | 22 Ų | 22 | 30.6 Ų | 30.6 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 131.7 | -179.2 | -171.2 | -128.4 | 0 | 0 | 0 | 112.3 | E30 V32 F51 K60 I63 G83 | E30-Y81 PolarHBondContact OE1-OH 2.94Å; V32-Y81 HydrophobicContact CG1-CD2 3.85Å; V32-Y81 HydrophobicContact CG1-CE2 3.89Å; F51-Y81 WeakPolarHBondContact CE2-O 3.5Å; K60-Y81 HydrophobicContact CB-CE1 4.08Å; K60-Y81 WeakPolarHBondContact CD-OH 3.47Å; K60-Y81 WeakPolarHBondContact CE-OH 3.45Å; K60-Y81 HydrophobicContact CG-CE1 4.1Å; K60-Y81 WeakPolarHBondContact CG-OH 3.24Å; K60-Y81 WeakPolarHBondContact O-CE1 2.94Å; I63-Y81 VanDerWaalsContact CD1-CB 3.44Å; I63-Y81 HydrophobicContact CD1-CD1 4.29Å; I63-Y81 HydrophobicContact CD1-CD2 3.7Å; I63-Y81 HydrophobicContact CD1-CG 3.57Å; I63-Y81 HydrophobicContact CG1-CD1 3.85Å; I63-Y81 HydrophobicContact CG1-CD2 3.6Å; I63-Y81 HydrophobicContact CG1-CE1 4.17Å; I63-Y81 HydrophobicContact CG1-CE2 3.95Å; I63-Y81 HydrophobicContact CG1-CG 3.54Å; I63-Y81 HydrophobicContact CG2-CD2 4.4Å; I63-Y81 HydrophobicContact CG2-CE2 4.38Å; Y81-G83 VanDerWaalsContact C-N 3.34Å; Y81-G83 VanDerWaalsContact CD1-N 3.33Å |
| 82 | S | 87.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -70.1 | -27.2 | 176.5 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | L33 M35 G58 Q80 I84 M97 | L33-S82 WeakPolarHBondContact O-CB 3.46Å; L33-S82 PolarHBondContact O-N 3.37Å; L33-S82 PolarHBondContact O-OG 2.79Å; M35-S82 VanDerWaalsContact CE-CB 3.4Å; G58-S82 PolarHBondContact N-O 2.97Å; Q80-S82 PolarHBondContact O-N 2.72Å; S82-I84 PolarHBondContact OG-N 3.34Å; S82-M97 WeakPolarHBondContact O-CE 3.39Å | ||
| 83 | G | 86.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | 78.3 | 5.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G58 P59 K60 Y81 | G58-G83 CarbonylContact C-O 3.49Å; G58-G83 VanDerWaalsContact C-O 3.29Å; G58-G83 WeakPolarHBondContact CA-O 3.41Å; P59-G83 WeakPolarHBondContact CD-O 3.3Å; K60-G83 WeakPolarHBondContact CB-O 2.97Å; K60-G83 PolarHBondContact N-O 2.98Å; K60-G83 VanDerWaalsContact N-O 3.16Å; Y81-G83 VanDerWaalsContact C-N 3.34Å; Y81-G83 VanDerWaalsContact CD1-N 3.33Å | ||
| 84 | I | 88.1 | Confident | 88.9 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | trans | -88.4 | 121.4 | -179.2 | -62 | 179.3 | 0 | 0 | 0 | 108.9 | L33 S82 I86 M97 Y182 | L33-I84 HydrophobicContact CD2-CD1 3.95Å; S82-I84 PolarHBondContact OG-N 3.34Å; I84-I86 HydrophobicContact CB-CG1 4.49Å; I84-I86 HydrophobicContact CG2-CD1 4.18Å; I84-I86 HydrophobicContact CG2-CG1 3.67Å; I84-I86 PolarHBondContact O-N 2.76Å; I84-M97 HydrophobicContact CD1-CE 3.93Å; I84-M97 HydrophobicContact CD1-SD 3.88Å; I84-M97 HydrophobicContact CG1-CE 3.8Å; I84-M97 HydrophobicContact CG1-CG 4.4Å; I84-M97 HydrophobicContact CG1-SD 4.09Å; I84-Y182 HydrophobicContact CD1-CG 4.41Å; I84-Y182 HydrophobicContact CG2-CD2 3.53Å; I84-Y182 HydrophobicContact CG2-CE2 3.38Å; I84-Y182 HydrophobicContact CG2-CG 4.18Å | ||
| 85 | D | 87.3 | Confident | 89.2 | Confident | 42 Ų | 42 | 42.3 Ų | 42.3 | 23% | 0.225 | 21% | 0.212 | C | C | . | . | trans | -83.4 | 100.5 | 175.3 | 166.2 | 64.9 | 0 | 0 | 0 | 109.5 | K60 R87 K92 | K60-D85 HydrophobicContact CD-CB 4.09Å; D85-R87 IonicContact OD1-CZ 3.66Å; D85-R87 IonicContact OD1-NE 2.9Å; D85-R87 PolarHBondContact OD1-NE 3.34Å; D85-R87 IonicContact OD1-NH2 3.65Å; D85-K92 WeakPolarHBondContact O-CD 3.26Å; D85-K92 PolarHBondContact O-NZ 2.86Å; D85-K92 IonicContact OD2-NZ 2.83Å; D85-K92 PolarHBondContact OD2-NZ 2.87Å | ||
| 86 | I | 90.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 129.9 | 174.3 | -52.3 | -177.5 | 0 | 0 | 0 | 107.4 | V31 L33 I84 L124 L150 I152 V184 W186 | V31-I86 HydrophobicContact CB-CB 4.32Å; V31-I86 HydrophobicContact CB-CG2 3.98Å; V31-I86 HydrophobicContact CG1-CG2 4.46Å; V31-I86 PolarHBondContact N-O 2.88Å; V31-I86 WeakPolarHBondContact O-CB 3.32Å; L33-I86 HydrophobicContact CB-CD1 3.82Å; L33-I86 HydrophobicContact CD2-CD1 4.46Å; I84-I86 HydrophobicContact CB-CG1 4.49Å; I84-I86 HydrophobicContact CG2-CD1 4.18Å; I84-I86 HydrophobicContact CG2-CG1 3.67Å; I84-I86 PolarHBondContact O-N 2.76Å; I86-L124 HydrophobicContact CD1-CD1 4.02Å; I86-L150 HydrophobicContact CD1-CD1 3.94Å; I86-I152 HydrophobicContact CG2-CD1 3.98Å; I86-V184 HydrophobicContact CG1-CG2 4.15Å; I86-V184 HydrophobicContact CG2-CG1 4.15Å; I86-W186 HydrophobicContact CG2-CZ2 3.86Å |
| 87 | R | 91.5 | Very high | 89.6 | Confident | 77 Ų | 77 | 43.9 Ų | 43.9 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 132.6 | 178.4 | -61.6 | -61.4 | -175.5 | 159.8 | -0.3 | 110 | A28 E29 D85 K89 I90 W186 | A28-R87 WeakPolarHBondContact O-CD 3.41Å; E29-R87 CarbonylContact O-C 3.54Å; E29-R87 VanDerWaalsContact O-CA 3.31Å; E29-R87 WeakPolarHBondContact O-CA 3.43Å; D85-R87 IonicContact OD1-CZ 3.66Å; D85-R87 IonicContact OD1-NE 2.9Å; D85-R87 PolarHBondContact OD1-NE 3.34Å; D85-R87 IonicContact OD1-NH2 3.65Å; R87-K89 PolarHBondContact O-N 2.96Å; R87-I90 HydrophobicContact CB-CB 4Å; R87-I90 HydrophobicContact CB-CD1 3.99Å; R87-I90 HydrophobicContact CB-CG1 4.3Å; R87-I90 PolarHBondContact O-N 3.01Å; R87-I90 VanDerWaalsContact O-N 3.08Å; R87-W186 PolarHBondContact O-NE1 3.47Å |
| 88 | F | 92.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 130.1 | -175.7 | -173.6 | -113.5 | 0 | 0 | 0 | 111.4 | Y25 D26 A28 E29 V31 I90 I159 W186 | Y25-F88 HydrophobicContact CD2-CD2 4.43Å; Y25-F88 HydrophobicContact CD2-CE2 4.47Å; Y25-F88 HydrophobicContact CG-CD2 4.24Å; Y25-F88 HydrophobicContact CG-CG 4.46Å; Y25-F88 WeakPolarHBondContact O-CE1 3.48Å; D26-F88 WeakPolarHBondContact O-CB 3.5Å; D26-F88 VanDerWaalsContact O-CD1 3.31Å; D26-F88 WeakPolarHBondContact O-CD1 3.14Å; A28-F88 PolarHBondContact N-O 2.75Å; E29-F88 PolarHBondContact O-N 2.72Å; V31-F88 HydrophobicContact CG2-CB 4Å; V31-F88 HydrophobicContact CG2-CD2 4.4Å; F88-I90 PolarHBondContact O-N 2.9Å; F88-I90 VanDerWaalsContact O-N 3.12Å; F88-I159 HydrophobicContact CD2-CG1 4.33Å; F88-I159 HydrophobicContact CE2-CG1 4.01Å; F88-W186 HydrophobicContact CD2-CE3 4.43Å; F88-W186 AromaticContact CD2-CH2 3.5Å; F88-W186 HydrophobicContact CD2-CH2 3.5Å; F88-W186 HydrophobicContact CD2-CZ2 4.25Å; F88-W186 AromaticContact CD2-CZ3 3.59Å; F88-W186 HydrophobicContact CD2-CZ3 3.59Å; F88-W186 HydrophobicContact CE2-CH2 4.13Å; F88-W186 AromaticContact CE2-CZ3 3.75Å; F88-W186 HydrophobicContact CE2-CZ3 3.75Å; F88-W186 HydrophobicContact CG-CH2 4.44Å |
| 89 | K | 92.9 | Very high | 90.3 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 27% | 0.265 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 8.8 | -175.7 | -65.5 | 171.9 | 177.4 | 165 | 0 | 116.5 | V27 R87 Y154 E156 N157 | V27-K89 HydrophobicContact CG2-CD 4.27Å; R87-K89 PolarHBondContact O-N 2.96Å; K89-Y154 HydrophobicContact CD-CD2 4.36Å; K89-Y154 HydrophobicContact CD-CE2 4.13Å; K89-Y154 VanDerWaalsContact CE-CD2 3.44Å; K89-Y154 VanDerWaalsContact CE-CE2 3.44Å; K89-Y154 HydrophobicContact CG-CD1 4.4Å; K89-Y154 HydrophobicContact CG-CD2 4.17Å; K89-Y154 HydrophobicContact CG-CE1 4.29Å; K89-Y154 HydrophobicContact CG-CE2 4.09Å; K89-Y154 HydrophobicContact CG-CG 4.32Å; K89-E156 WeakPolarHBondContact CE-O 3.26Å; K89-E156 PolarHBondContact NZ-O 3.39Å; K89-N157 PolarHBondContact NZ-OD1 2.8Å |
| 90 | I | 94.7 | Very high | 90.6 | Very high | 82 Ų | 82 | 46 Ų | 46 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -106.7 | 114.9 | 177.9 | -59.9 | -179.5 | 0 | 0 | 0 | 110.3 | A28 R87 F88 W186 | A28-I90 HydrophobicContact CB-CD1 3.48Å; A28-I90 VanDerWaalsContact CB-CD1 3.48Å; A28-I90 HydrophobicContact CB-CG1 4.47Å; R87-I90 HydrophobicContact CB-CB 4Å; R87-I90 HydrophobicContact CB-CD1 3.99Å; R87-I90 HydrophobicContact CB-CG1 4.3Å; R87-I90 PolarHBondContact O-N 3.01Å; R87-I90 VanDerWaalsContact O-N 3.08Å; F88-I90 PolarHBondContact O-N 2.9Å; F88-I90 VanDerWaalsContact O-N 3.12Å; I90-W186 VanDerWaalsContact C-CD1 3.4Å; I90-W186 PolarHBondContact O-NE1 2.77Å; I90-W186 VanDerWaalsContact O-NE1 3.15Å |
| 91 | N | 94.7 | Very high | 90.9 | Very high | 96 Ų | 96 | 49.3 Ų | 49.3 | 51% | 0.513 | 25% | 0.254 | S | S | . | . | trans | -69 | 134.5 | 175.3 | -70.6 | -27.4 | 0 | 0 | 0 | 111 | R185 W186 | N91-R185 WeakPolarHBondContact OD1-CA 3.28Å; N91-W186 PolarHBondContact OD1-N 2.91Å | ||
| 92 | K | 93.2 | Very high | 91.1 | Very high | 48 Ų | 48 | 48.3 Ų | 48.3 | 21% | 0.209 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 116.9 | 175.4 | -161.1 | 149.3 | -179.8 | 179.2 | 0 | 109.6 | D85 Y182 K183 V184 | D85-K92 WeakPolarHBondContact O-CD 3.26Å; D85-K92 PolarHBondContact O-NZ 2.86Å; D85-K92 IonicContact OD2-NZ 2.83Å; D85-K92 PolarHBondContact OD2-NZ 2.87Å; K92-Y182 HydrophobicContact CD-CE2 3.83Å; K92-Y182 WeakPolarHBondContact CE-OH 3.27Å; K92-Y182 HydrophobicContact CG-CE2 4.25Å; K92-Y182 PolarHBondContact NZ-OH 2.84Å; K92-K183 WeakPolarHBondContact O-CG 3.46Å; K92-V184 HydrophobicContact CB-CB 3.92Å; K92-V184 HydrophobicContact CB-CG2 4.27Å; K92-V184 PolarHBondContact N-O 2.93Å; K92-V184 PolarHBondContact O-N 2.9Å |
| 93 | P | 93.7 | Very high | 91.3 | Very high | 100 Ų | 100 | 52 Ų | 52 | 65% | 0.649 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 167.5 | 177.1 | 28.8 | -34.8 | 0 | 0 | 0 | 110.7 | S95 | P93-S95 PolarHBondContact O-N 2.94Å |
| 94 | K | 93.4 | Very high | 91.5 | Very high | 114 Ų | 114 | 55.4 Ų | 55.4 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 114.8 | 177.6 | -179 | 169.7 | -175.2 | 171.4 | 0 | 109.1 | D168 S181 Y182 | K94-D168 IonicContact NZ-OD2 2.65Å; K94-D168 PolarHBondContact NZ-OD2 3.4Å; K94-S181 WeakPolarHBondContact CE-OG 3.43Å; K94-Y182 WeakPolarHBondContact CA-O 3.33Å |
| 95 | S | 91.6 | Very high | 91.6 | Very high | 32 Ų | 32 | 60.6 Ų | 60.6 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147.3 | -178.5 | 55.9 | 0 | 0 | 0 | 0 | 109.8 | P93 M97 S181 Y182 | P93-S95 PolarHBondContact O-N 2.94Å; S95-M97 PolarHBondContact O-N 3.26Å; S95-S181 CarbonylContact O-C 3.29Å; S95-S181 VanDerWaalsContact O-CA 3.27Å; S95-S181 WeakPolarHBondContact O-CA 3.37Å; S95-S181 WeakPolarHBondContact O-CB 3.48Å; S95-Y182 PolarHBondContact N-O 2.81Å; S95-Y182 PolarHBondContact O-N 3.17Å; S95-Y182 WeakPolarHBondContact OG-CE1 3.33Å |
| 96 | T | 91.6 | Very high | 91.8 | Very high | 85 Ų | 85 | 58.7 Ų | 58.7 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 124.3 | 175 | -59.4 | 0 | 0 | 0 | 0 | 108.8 | T179 | T96-T179 HydrophobicContact CG2-CG2 3.41Å; T96-T179 VanDerWaalsContact CG2-CG2 3.41Å |
| 97 | M | 88.5 | Confident | 91.9 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -55.8 | 173.6 | -170.2 | 177.7 | 169.5 | 0 | 0 | 109.4 | S82 I84 S95 F180 Y182 | S82-M97 WeakPolarHBondContact O-CE 3.39Å; I84-M97 HydrophobicContact CD1-CE 3.93Å; I84-M97 HydrophobicContact CD1-SD 3.88Å; I84-M97 HydrophobicContact CG1-CE 3.8Å; I84-M97 HydrophobicContact CG1-CG 4.4Å; I84-M97 HydrophobicContact CG1-SD 4.09Å; S95-M97 PolarHBondContact O-N 3.26Å; M97-F180 WeakPolarHBondContact CA-O 3.39Å; M97-F180 HydrophobicContact CB-CB 4.33Å; M97-F180 WeakPolarHBondContact CB-O 3.43Å; M97-F180 PolarHBondContact N-O 3.15Å; M97-Y182 HydrophobicContact CB-CD1 3.81Å; M97-Y182 HydrophobicContact CB-CE1 4.3Å; M97-Y182 HydrophobicContact CG-CD1 4.26Å |
| 98 | C | 91.2 | Very high | 91.9 | Very high | 21 Ų | 21 | 63 Ų | 63 | 14% | 0.142 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.7 | 167.9 | -174.8 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | C56 F180 | C56-C98 HydrophobicContact CB-CB 3.49Å; C56-C98 VanDerWaalsContact CB-CB 3.49Å; C56-C98 WeakPolarHBondContact CB-SG 3.49Å; C56-C98 WeakPolarHBondContact SG-CB 3.32Å; C56-C98 CovalentContact SG-SG 1.99Å; C56-C98 PolarHBondContact SG-SG 2.67Å; C98-F180 PolarHBondContact N-O 3.12Å; C98-F180 PolarHBondContact O-N 2.73Å |
| 99 | E | 91.6 | Very high | 91.9 | Very high | 113 Ų | 113 | 64.5 Ų | 64.5 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.7 | 176.6 | -63.4 | -176.1 | 173.5 | 0 | 0 | 109.8 | I178 T179 | E99-I178 WeakPolarHBondContact CA-O 3.49Å; E99-T179 HydrophobicContact CG-CG2 4.09Å |
| 100 | V | 91.2 | Very high | 92 | Very high | 15 Ų | 15 | 61.7 Ų | 61.7 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.1 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | P54 C56 V102 I178 F180 | P54-V100 WeakPolarHBondContact O-CG1 3.41Å; C56-V100 HydrophobicContact CB-CG2 3.69Å; C56-V100 WeakPolarHBondContact SG-CG2 3Å; V100-V102 PolarHBondContact O-N 3.34Å; V100-I178 PolarHBondContact N-O 2.81Å; V100-I178 PolarHBondContact O-N 3Å; V100-F180 HydrophobicContact CB-CE2 4.18Å; V100-F180 HydrophobicContact CG2-CD2 3.98Å; V100-F180 HydrophobicContact CG2-CE2 3.71Å |
| 101 | D | 90.7 | Very high | 91.8 | Very high | 105 Ų | 105 | 58.5 Ų | 58.5 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 113.6 | 166.5 | -75.2 | -54.6 | 0 | 0 | 0 | 109.6 | N103 K177 | D101-N103 VanDerWaalsContact C-N 3.33Å; D101-N103 PolarHBondContact O-N 3.14Å; D101-K177 WeakPolarHBondContact OD1-CE 3.49Å; D101-K177 WeakPolarHBondContact OD1-CG 3.06Å |
| 102 | V | 89.8 | Confident | 91.7 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 83.8 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | V100 A106 Y107 N175 T176 I178 | V100-V102 PolarHBondContact O-N 3.34Å; V102-A106 HydrophobicContact CG1-CB 4.49Å; V102-Y107 HydrophobicContact CG1-CD2 4.46Å; V102-N175 WeakPolarHBondContact O-CA 3.41Å; V102-N175 PolarHBondContact O-N 3.2Å; V102-T176 WeakPolarHBondContact CB-O 3.21Å; V102-T176 WeakPolarHBondContact CG2-O 3.4Å; V102-T176 PolarHBondContact N-O 3.06Å; V102-I178 HydrophobicContact CG2-CB 4.42Å; V102-I178 HydrophobicContact CG2-CD1 3.57Å; V102-I178 HydrophobicContact CG2-CG1 3.76Å |
| 103 | N | 91.5 | Very high | 91.7 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | trans | -70.7 | 177.3 | 168.7 | 69.2 | 6 | 0 | 0 | 0 | 111.3 | D101 D105 A106 Y107 | D101-N103 VanDerWaalsContact C-N 3.33Å; D101-N103 PolarHBondContact O-N 3.14Å; N103-D105 VanDerWaalsContact C-N 3.28Å; N103-D105 PolarHBondContact O-N 3.49Å; N103-D105 PolarHBondContact OD1-N 2.73Å; N103-A106 PolarHBondContact O-N 2.85Å; N103-A106 WeakPolarHBondContact OD1-CB 3.16Å; N103-A106 PolarHBondContact OD1-N 3.19Å; N103-Y107 WeakPolarHBondContact O-CB 3.26Å; N103-Y107 PolarHBondContact O-N 3.41Å | ||
| 104 | S | 90.9 | Very high | 91.7 | Very high | 72 Ų | 72 | 52.8 Ų | 52.8 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.6 | -41.2 | 179.5 | 51.1 | 0 | 0 | 0 | 0 | 113 | Y107 I108 | S104-Y107 PolarHBondContact O-N 3.24Å; S104-I108 WeakPolarHBondContact O-CD1 3.45Å; S104-I108 VanDerWaalsContact O-CG1 3.26Å; S104-I108 WeakPolarHBondContact O-CG1 3.33Å; S104-I108 PolarHBondContact O-N 2.67Å |
| 105 | D | 91 | Very high | 91.5 | Very high | 111 Ų | 111 | 53.6 Ų | 53.6 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71.9 | -40.7 | -176.5 | -59 | -24.5 | 0 | 0 | 0 | 111.3 | N103 I108 A109 | N103-D105 VanDerWaalsContact C-N 3.28Å; N103-D105 PolarHBondContact O-N 3.49Å; N103-D105 PolarHBondContact OD1-N 2.73Å; D105-I108 PolarHBondContact O-N 2.79Å; D105-A109 WeakPolarHBondContact O-CB 3.46Å; D105-A109 PolarHBondContact O-N 3.31Å |
| 106 | A | 90.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P54 V102 N103 A109 F110 | P54-A106 HydrophobicContact CB-CB 4.13Å; P54-A106 HydrophobicContact CG-CB 3.5Å; P54-A106 VanDerWaalsContact CG-CB 3.5Å; V102-A106 HydrophobicContact CG1-CB 4.49Å; N103-A106 PolarHBondContact O-N 2.85Å; N103-A106 WeakPolarHBondContact OD1-CB 3.16Å; N103-A106 PolarHBondContact OD1-N 3.19Å; A106-A109 PolarHBondContact O-N 3.4Å; A106-F110 HydrophobicContact CB-CD2 4.46Å; A106-F110 HydrophobicContact CB-CE2 4.49Å; A106-F110 WeakPolarHBondContact O-CB 3.2Å; A106-F110 WeakPolarHBondContact O-CD2 3.31Å; A106-F110 PolarHBondContact O-N 3.21Å |
| 107 | Y | 92.3 | Very high | 91.4 | Very high | 68 Ų | 68 | 57 Ų | 57 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.9 | -49.9 | 172.9 | 179.1 | -96.7 | 0 | 0 | 0 | 110.8 | V102 N103 S104 A109 S111 L172 | V102-Y107 HydrophobicContact CG1-CD2 4.46Å; N103-Y107 WeakPolarHBondContact O-CB 3.26Å; N103-Y107 PolarHBondContact O-N 3.41Å; S104-Y107 PolarHBondContact O-N 3.24Å; Y107-A109 PolarHBondContact O-N 3.25Å; Y107-S111 WeakPolarHBondContact O-CB 3.44Å; Y107-S111 PolarHBondContact O-N 2.97Å; Y107-S111 PolarHBondContact O-OG 2.92Å; Y107-S111 VanDerWaalsContact O-OG 3.13Å; Y107-L172 HydrophobicContact CD2-CB 4.2Å; Y107-L172 HydrophobicContact CE2-CB 4.05Å |
| 108 | I | 92.9 | Very high | 91.6 | Very high | 99 Ų | 99 | 57.4 Ų | 57.4 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 179.3 | -67.5 | 164.3 | 0 | 0 | 0 | 111.4 | S104 D105 S111 K112 | S104-I108 WeakPolarHBondContact O-CD1 3.45Å; S104-I108 VanDerWaalsContact O-CG1 3.26Å; S104-I108 WeakPolarHBondContact O-CG1 3.33Å; S104-I108 PolarHBondContact O-N 2.67Å; D105-I108 PolarHBondContact O-N 2.79Å; I108-S111 PolarHBondContact O-OG 2.82Å; I108-S111 VanDerWaalsContact O-OG 3.1Å; I108-K112 VanDerWaalsContact O-CB 3.23Å; I108-K112 WeakPolarHBondContact O-CB 3.25Å; I108-K112 PolarHBondContact O-N 2.63Å |
| 109 | A | 92.3 | Very high | 91.6 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 27% | 0.273 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -49.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L53 D105 A106 Y107 A113 | L53-A109 HydrophobicContact CD2-CB 3.98Å; D105-A109 WeakPolarHBondContact O-CB 3.46Å; D105-A109 PolarHBondContact O-N 3.31Å; A106-A109 PolarHBondContact O-N 3.4Å; Y107-A109 PolarHBondContact O-N 3.25Å; A109-A113 VanDerWaalsContact O-CB 3.31Å; A109-A113 WeakPolarHBondContact O-CB 3.19Å; A109-A113 PolarHBondContact O-N 3.23Å |
| 110 | F | 93.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.9 | -41.9 | 178 | -74 | -53.6 | 0 | 0 | 0 | 112.5 | L53 P54 F55 A106 K112 A113 I114 V133 I144 L172 | L53-F110 HydrophobicContact CB-CE1 4.09Å; L53-F110 HydrophobicContact CD1-CD1 4.11Å; L53-F110 HydrophobicContact CD1-CE1 4.23Å; P54-F110 HydrophobicContact CG-CD2 4.15Å; P54-F110 HydrophobicContact CG-CE1 4.5Å; P54-F110 HydrophobicContact CG-CE2 3.63Å; P54-F110 HydrophobicContact CG-CZ 3.82Å; F55-F110 HydrophobicContact CD1-CE1 4.11Å; F55-F110 HydrophobicContact CD1-CZ 4.17Å; F55-F110 HydrophobicContact CD2-CE1 4.37Å; F55-F110 AromaticContact CE1-CE1 3.8Å; F55-F110 HydrophobicContact CE1-CE1 3.8Å; F55-F110 HydrophobicContact CE1-CZ 4.23Å; F55-F110 HydrophobicContact CE2-CE1 4.09Å; F55-F110 HydrophobicContact CG-CE1 4.39Å; F55-F110 HydrophobicContact CG-CZ 4.49Å; F55-F110 AromaticContact CZ-CE1 3.79Å; F55-F110 HydrophobicContact CZ-CE1 3.79Å; A106-F110 HydrophobicContact CB-CD2 4.46Å; A106-F110 HydrophobicContact CB-CE2 4.49Å; A106-F110 WeakPolarHBondContact O-CB 3.2Å; A106-F110 WeakPolarHBondContact O-CD2 3.31Å; A106-F110 PolarHBondContact O-N 3.21Å; F110-K112 PolarHBondContact O-N 3.26Å; F110-A113 PolarHBondContact O-N 3.07Å; F110-I114 WeakPolarHBondContact O-CB 3.19Å; F110-I114 WeakPolarHBondContact O-CD1 3.32Å; F110-I114 VanDerWaalsContact O-CG1 3.26Å; F110-I114 WeakPolarHBondContact O-CG1 3.33Å; F110-I114 PolarHBondContact O-N 3.34Å; F110-V133 HydrophobicContact CD1-CG1 4.34Å; F110-I144 HydrophobicContact CD1-CD1 3.57Å; F110-I144 HydrophobicContact CD2-CD1 4.36Å; F110-I144 HydrophobicContact CE1-CD1 3.61Å; F110-I144 HydrophobicContact CE2-CD1 4.38Å; F110-I144 HydrophobicContact CG-CD1 3.98Å; F110-I144 HydrophobicContact CZ-CD1 4.03Å; F110-L172 HydrophobicContact CB-CD1 3.67Å; F110-L172 HydrophobicContact CB-CD2 4.22Å; F110-L172 HydrophobicContact CD2-CD2 4.3Å |
| 111 | S | 92.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 179.3 | 71.1 | 0 | 0 | 0 | 0 | 110.9 | Y107 I108 A113 I114 E115 | Y107-S111 WeakPolarHBondContact O-CB 3.44Å; Y107-S111 PolarHBondContact O-N 2.97Å; Y107-S111 PolarHBondContact O-OG 2.92Å; Y107-S111 VanDerWaalsContact O-OG 3.13Å; I108-S111 PolarHBondContact O-OG 2.82Å; I108-S111 VanDerWaalsContact O-OG 3.1Å; S111-A113 VanDerWaalsContact C-N 3.35Å; S111-A113 PolarHBondContact O-N 3.4Å; S111-I114 PolarHBondContact O-N 3.33Å; S111-E115 WeakPolarHBondContact O-CB 3.42Å; S111-E115 VanDerWaalsContact O-CG 3.31Å; S111-E115 WeakPolarHBondContact O-CG 3.44Å; S111-E115 PolarHBondContact O-N 2.78Å |
| 112 | K | 91.8 | Very high | 91.9 | Very high | 116 Ų | 116 | 47.1 Ų | 47.1 | 50% | 0.504 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.7 | -174.1 | 179.1 | 179.5 | -176.5 | 0 | 112.1 | I108 F110 Q116 | I108-K112 VanDerWaalsContact O-CB 3.23Å; I108-K112 WeakPolarHBondContact O-CB 3.25Å; I108-K112 PolarHBondContact O-N 2.63Å; F110-K112 PolarHBondContact O-N 3.26Å; K112-Q116 WeakPolarHBondContact O-CB 3.12Å; K112-Q116 WeakPolarHBondContact O-CG 3.42Å; K112-Q116 PolarHBondContact O-N 3.38Å |
| 113 | A | 92.5 | Very high | 92 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L53 A109 F110 S111 Q116 Q117 Y118 | L53-A113 HydrophobicContact CD1-CB 3.72Å; L53-A113 HydrophobicContact CD2-CB 4.15Å; A109-A113 VanDerWaalsContact O-CB 3.31Å; A109-A113 WeakPolarHBondContact O-CB 3.19Å; A109-A113 PolarHBondContact O-N 3.23Å; F110-A113 PolarHBondContact O-N 3.07Å; S111-A113 VanDerWaalsContact C-N 3.35Å; S111-A113 PolarHBondContact O-N 3.4Å; A113-Q116 CarbonylContact O-C 3.39Å; A113-Q116 PolarHBondContact O-N 2.92Å; A113-Q117 PolarHBondContact O-N 3.17Å; A113-Y118 HydrophobicContact CB-CD1 3.93Å; A113-Y118 HydrophobicContact CB-CD2 4.3Å; A113-Y118 HydrophobicContact CB-CG 3.79Å; A113-Y118 WeakPolarHBondContact O-CB 3.19Å; A113-Y118 VanDerWaalsContact O-CD2 3.31Å; A113-Y118 WeakPolarHBondContact O-CD2 3.37Å; A113-Y118 PolarHBondContact O-N 3.43Å |
| 114 | I | 93.2 | Very high | 92 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.8 | -45.1 | 178.7 | -68.6 | 162.7 | 0 | 0 | 0 | 111.1 | F110 S111 Q116 Q117 V133 V136 P142 S143 I144 L172 | F110-I114 WeakPolarHBondContact O-CB 3.19Å; F110-I114 WeakPolarHBondContact O-CD1 3.32Å; F110-I114 VanDerWaalsContact O-CG1 3.26Å; F110-I114 WeakPolarHBondContact O-CG1 3.33Å; F110-I114 PolarHBondContact O-N 3.34Å; S111-I114 PolarHBondContact O-N 3.33Å; I114-Q116 PolarHBondContact O-N 2.8Å; I114-Q117 PolarHBondContact O-N 3.16Å; I114-V133 HydrophobicContact CG1-CG1 4.11Å; I114-V136 HydrophobicContact CG2-CG2 3.89Å; I114-P142 HydrophobicContact CB-CB 4.17Å; I114-P142 HydrophobicContact CD1-CB 4.05Å; I114-P142 HydrophobicContact CG2-CB 3.95Å; I114-S143 WeakPolarHBondContact CD1-O 3.06Å; I114-I144 HydrophobicContact CD1-CB 4.29Å; I114-L172 HydrophobicContact CD1-CD1 3.37Å |
| 115 | E | 91 | Very high | 91.9 | Very high | 131 Ų | 131 | 41.3 Ų | 41.3 | 61% | 0.612 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -58.1 | -37.6 | 176.1 | -75.1 | 172 | -168 | 0 | 0 | 112.2 | S111 Q117 | S111-E115 WeakPolarHBondContact O-CB 3.42Å; S111-E115 VanDerWaalsContact O-CG 3.31Å; S111-E115 WeakPolarHBondContact O-CG 3.44Å; S111-E115 PolarHBondContact O-N 2.78Å; E115-Q117 VanDerWaalsContact C-N 3.29Å; E115-Q117 PolarHBondContact O-N 2.95Å |
| 116 | Q | 88.8 | Confident | 91.8 | Very high | 79 Ų | 79 | 37 Ų | 37 | 37% | 0.369 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 10.5 | 178.4 | -65.6 | -173.7 | -18.1 | 0 | 0 | 113.9 | K112 A113 I114 Y118 | K112-Q116 WeakPolarHBondContact O-CB 3.12Å; K112-Q116 WeakPolarHBondContact O-CG 3.42Å; K112-Q116 PolarHBondContact O-N 3.38Å; A113-Q116 CarbonylContact O-C 3.39Å; A113-Q116 PolarHBondContact O-N 2.92Å; I114-Q116 PolarHBondContact O-N 2.8Å; Q116-Y118 HydrophobicContact CB-CD2 3.71Å; Q116-Y118 HydrophobicContact CB-CE2 3.54Å; Q116-Y118 HydrophobicContact CG-CE2 4.45Å; Q116-Y118 PolarHBondContact O-N 2.99Å; Q116-Y118 VanDerWaalsContact OE1-CE2 3.28Å; Q116-Y118 PolarHBondContact OE1-OH 2.95Å |
| 117 | Q | 90.7 | Very high | 91.8 | Very high | 111 Ų | 111 | 36.9 Ų | 36.9 | 52% | 0.519 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 53.4 | 179.7 | -59 | -176.1 | -34.6 | 0 | 0 | 112.6 | Y41 A113 I114 E115 W119 | Y41-Q117 VanDerWaalsContact CB-O 3.31Å; Y41-Q117 WeakPolarHBondContact CB-O 3.42Å; Y41-Q117 PolarHBondContact N-O 3.25Å; A113-Q117 PolarHBondContact O-N 3.17Å; I114-Q117 PolarHBondContact O-N 3.16Å; E115-Q117 VanDerWaalsContact C-N 3.29Å; E115-Q117 PolarHBondContact O-N 2.95Å; Q117-W119 PolarHBondContact O-N 3.22Å |
| 118 | Y | 93.1 | Very high | 91.8 | Very high | 27 Ų | 27 | 33.9 Ų | 33.9 | 11% | 0.106 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 135.2 | 177.5 | -86 | -137.8 | 0 | 0 | 0 | 110.8 | I38 G39 P40 A113 Q116 V133 | I38-Y118 HydrophobicContact CD1-CD1 4.21Å; I38-Y118 HydrophobicContact CG1-CD1 3.96Å; G39-Y118 VanDerWaalsContact O-CA 3.31Å; G39-Y118 WeakPolarHBondContact O-CA 3.41Å; P40-Y118 HydrophobicContact CB-CD2 4.02Å; P40-Y118 HydrophobicContact CB-CE2 3.65Å; P40-Y118 HydrophobicContact CG-CE2 4.2Å; A113-Y118 HydrophobicContact CB-CD1 3.93Å; A113-Y118 HydrophobicContact CB-CD2 4.3Å; A113-Y118 HydrophobicContact CB-CG 3.79Å; A113-Y118 WeakPolarHBondContact O-CB 3.19Å; A113-Y118 VanDerWaalsContact O-CD2 3.31Å; A113-Y118 WeakPolarHBondContact O-CD2 3.37Å; A113-Y118 PolarHBondContact O-N 3.43Å; Q116-Y118 HydrophobicContact CB-CD2 3.71Å; Q116-Y118 HydrophobicContact CB-CE2 3.54Å; Q116-Y118 HydrophobicContact CG-CE2 4.45Å; Q116-Y118 PolarHBondContact O-N 2.99Å; Q116-Y118 VanDerWaalsContact OE1-CE2 3.28Å; Q116-Y118 PolarHBondContact OE1-OH 2.95Å; Y118-V133 PolarHBondContact O-N 3.47Å |
| 119 | W | 92.6 | Very high | 91.9 | Very high | 24 Ų | 24 | 29.5 Ų | 29.5 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.6 | 171.7 | 65.4 | -76.7 | 0 | 0 | 0 | 109 | I38 G39 P40 Q117 Q121 W130 A131 Y464 | I38-W119 WeakPolarHBondContact CA-O 3.46Å; I38-W119 VanDerWaalsContact CG1-O 3.31Å; I38-W119 WeakPolarHBondContact CG1-O 3.12Å; G39-W119 PolarHBondContact N-O 2.83Å; G39-W119 PolarHBondContact O-N 2.9Å; G39-W119 PolarHBondContact O-NE1 2.86Å; P40-W119 PolarHBondContact O-NE1 2.87Å; Q117-W119 PolarHBondContact O-N 3.22Å; W119-Q121 HydrophobicContact CZ3-CB 3.93Å; W119-W130 AromaticContact CE3-CD1 3.73Å; W119-W130 AromaticContact CZ3-CD1 3.45Å; W119-W130 VanDerWaalsContact CZ3-CD1 3.45Å; W119-W130 AromaticContact CZ3-NE1 3.91Å; W119-A131 CarbonylContact C-O 3.5Å; W119-A131 WeakPolarHBondContact CA-O 3.3Å; W119-A131 WeakPolarHBondContact CB-O 3.48Å; W119-Y464 AromaticContact CH2-CE2 3.92Å; W119-Y464 HydrophobicContact CH2-CE2 3.92Å; W119-Y464 HydrophobicContact CZ3-CE2 4.48Å |
| 120 | Y | 93.6 | Very high | 91.9 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.016 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 154 | 174.9 | 63.6 | -89.3 | 0 | 0 | 0 | 110.8 | T37 Y50 M122 A131 V132 V133 K148 | T37-Y120 CarbonylContact O-C 3.6Å; T37-Y120 WeakPolarHBondContact O-CA 3.42Å; Y50-Y120 HydrophobicContact CD2-CD2 4.22Å; Y50-Y120 HydrophobicContact CD2-CG 4.18Å; Y50-Y120 HydrophobicContact CE2-CD1 4.26Å; Y50-Y120 AromaticContact CE2-CD2 3.56Å; Y50-Y120 HydrophobicContact CE2-CD2 3.56Å; Y50-Y120 HydrophobicContact CE2-CE2 4.2Å; Y50-Y120 AromaticContact CE2-CG 3.6Å; Y50-Y120 HydrophobicContact CE2-CG 3.6Å; Y120-M122 HydrophobicContact CD2-CG 3.97Å; Y120-M122 HydrophobicContact CD2-SD 4.28Å; Y120-M122 HydrophobicContact CE2-CE 3.89Å; Y120-M122 HydrophobicContact CE2-CG 4.04Å; Y120-M122 HydrophobicContact CE2-SD 3.77Å; Y120-A131 HydrophobicContact CD1-CB 4.36Å; Y120-A131 VanDerWaalsContact CD1-O 3.3Å; Y120-A131 WeakPolarHBondContact CD1-O 3.5Å; Y120-A131 HydrophobicContact CE1-CB 3.6Å; Y120-A131 HydrophobicContact CE2-CB 3.88Å; Y120-A131 PolarHBondContact N-O 3.06Å; Y120-A131 PolarHBondContact O-N 2.81Å; Y120-A131 VanDerWaalsContact O-N 3.11Å; Y120-A131 VanDerWaalsContact OH-CB 3.3Å; Y120-A131 WeakPolarHBondContact OH-CB 3.34Å; Y120-V132 WeakPolarHBondContact CE1-O 3.47Å; Y120-V133 HydrophobicContact CD1-CG2 4.17Å; Y120-K148 WeakPolarHBondContact OH-CE 3.23Å |
| 121 | Q | 92.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.9 | 178.2 | -170 | 173.3 | 27 | 0 | 0 | 110.7 | N36 T37 W119 Y123 I129 Y464 | N36-Q121 HydrophobicContact CB-CB 4.34Å; N36-Q121 PolarHBondContact N-O 2.89Å; N36-Q121 PolarHBondContact ND2-OE1 2.89Å; T37-Q121 PolarHBondContact O-N 1.99Å; W119-Q121 HydrophobicContact CZ3-CB 3.93Å; Q121-Y123 HydrophobicContact CG-CD2 4.48Å; Q121-Y123 HydrophobicContact CG-CE2 4.02Å; Q121-Y123 PolarHBondContact NE2-OH 2.82Å; Q121-I129 CarbonylContact C-O 3.56Å; Q121-I129 WeakPolarHBondContact CA-O 3.12Å; Q121-Y464 PolarHBondContact NE2-OH 3.04Å |
| 122 | M | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 162.1 | 168.5 | -52.6 | 178.1 | -63.9 | 0 | 0 | 109.4 | L33 W34 M35 Y120 I129 L164 | L33-M122 HydrophobicContact CD1-CB 4.05Å; L33-M122 HydrophobicContact CD1-SD 4.44Å; L33-M122 HydrophobicContact CD2-SD 4.21Å; W34-M122 CarbonylContact O-C 3.56Å; W34-M122 WeakPolarHBondContact O-CA 3.47Å; W34-M122 WeakPolarHBondContact O-CB 3.23Å; M35-M122 HydrophobicContact CE-SD 3.81Å; M35-M122 HydrophobicContact SD-CG 3.61Å; M35-M122 HydrophobicContact SD-SD 3.5Å; Y120-M122 HydrophobicContact CD2-CG 3.97Å; Y120-M122 HydrophobicContact CD2-SD 4.28Å; Y120-M122 HydrophobicContact CE2-CE 3.89Å; Y120-M122 HydrophobicContact CE2-CG 4.04Å; Y120-M122 HydrophobicContact CE2-SD 3.77Å; M122-I129 HydrophobicContact CB-CB 4.25Å; M122-I129 HydrophobicContact CE-CB 4.17Å; M122-I129 HydrophobicContact CE-CD1 4.41Å; M122-I129 HydrophobicContact CE-CG2 3.71Å; M122-I129 PolarHBondContact N-O 3.33Å; M122-I129 PolarHBondContact O-N 2.81Å; M122-L164 HydrophobicContact CE-CD1 4.33Å; M122-L164 HydrophobicContact CE-CD2 3.59Å; M122-L164 HydrophobicContact CE-CG 4.49Å |
| 123 | Y | 91.5 | Very high | 92 | Very high | 27 Ų | 27 | 29.2 Ų | 29.2 | 11% | 0.106 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.8 | 172.6 | -75.2 | -79.7 | 0 | 0 | 0 | 110.2 | W34 N36 L79 Q121 L127 P128 R310 | W34-Y123 PolarHBondContact N-O 2.87Å; W34-Y123 PolarHBondContact O-N 3.47Å; N36-Y123 HydrophobicContact CB-CD2 4.05Å; N36-Y123 HydrophobicContact CB-CE2 4.17Å; L79-Y123 HydrophobicContact CD2-CD2 4.08Å; Q121-Y123 HydrophobicContact CG-CD2 4.48Å; Q121-Y123 HydrophobicContact CG-CE2 4.02Å; Q121-Y123 PolarHBondContact NE2-OH 2.82Å; Y123-L127 WeakPolarHBondContact CA-O 3.32Å; Y123-P128 HydrophobicContact CD1-CB 4.03Å; Y123-P128 HydrophobicContact CE1-CB 3.54Å; Y123-P128 HydrophobicContact CE1-CG 4.38Å; Y123-R310 HydrophobicContact CD1-CG 4.37Å; Y123-R310 VanDerWaalsContact CE1-CD 3.44Å; Y123-R310 HydrophobicContact CE1-CG 3.86Å; Y123-R310 VanDerWaalsContact CZ-CD 3.45Å |
| 124 | L | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 117.2 | 170 | -173.6 | 156.9 | 0 | 0 | 0 | 106.5 | V31 L33 I86 D126 L127 I129 I152 I159 V162 | V31-L124 HydrophobicContact CG1-CD1 4.15Å; V31-L124 HydrophobicContact CG1-CD2 3.73Å; V31-L124 HydrophobicContact CG1-CG 3.83Å; L33-L124 HydrophobicContact CD1-CB 4.01Å; L33-L124 HydrophobicContact CD1-CD1 4.21Å; I86-L124 HydrophobicContact CD1-CD1 4.02Å; L124-D126 VanDerWaalsContact C-N 3.33Å; L124-D126 PolarHBondContact O-N 3.13Å; L124-L127 PolarHBondContact N-O 3Å; L124-L127 VanDerWaalsContact N-O 3.14Å; L124-L127 VanDerWaalsContact O-CB 3.31Å; L124-L127 WeakPolarHBondContact O-CB 3.5Å; L124-L127 PolarHBondContact O-N 2.95Å; L124-I129 HydrophobicContact CB-CD1 4.24Å; L124-I152 HydrophobicContact CD1-CD1 3.77Å; L124-I152 HydrophobicContact CD1-CG1 4.4Å; L124-I159 HydrophobicContact CD2-CD1 3.62Å; L124-I159 HydrophobicContact CD2-CG2 4.01Å; L124-V162 HydrophobicContact CB-CG2 4.2Å; L124-V162 HydrophobicContact CD1-CG2 4.49Å; L124-V162 HydrophobicContact CD2-CG2 3.8Å; L124-V162 HydrophobicContact CG-CG2 4.38Å |
| 125 | D | 89.6 | Confident | 91.9 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 49.3 | -177.4 | -168.3 | 38.4 | 0 | 0 | 0 | 113.4 | H23 Y25 L127 I159 R196 | H23-D125 IonicContact CE1-OD1 3.97Å; H23-D125 IonicContact CG-OD1 3.97Å; H23-D125 IonicContact ND1-OD1 2.64Å; H23-D125 PolarHBondContact ND1-OD1 2.87Å; H23-D125 IonicContact ND1-OD2 3.62Å; Y25-D125 HydrophobicContact CE2-CB 4.34Å; Y25-D125 PolarHBondContact OH-OD1 3.32Å; D125-L127 PolarHBondContact O-N 3.04Å; D125-I159 HydrophobicContact CB-CB 4.31Å; D125-I159 HydrophobicContact CB-CD1 4.08Å; D125-R196 PolarHBondContact O-NH1 2.86Å; D125-R196 PolarHBondContact O-NH2 2.94Å; D125-R196 IonicContact OD2-CZ 2.92Å; D125-R196 IonicContact OD2-NH1 2.73Å; D125-R196 PolarHBondContact OD2-NH1 3.15Å |
| 126 | D | 87.9 | Confident | 91.8 | Very high | 21 Ų | 21 | 31.2 Ų | 31.2 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -7.5 | -175.3 | -69.9 | 6.4 | 0 | 0 | 0 | 117.3 | H23 L124 P128 R310 | H23-D126 IonicContact CE1-OD2 2.93Å; L124-D126 VanDerWaalsContact C-N 3.33Å; L124-D126 PolarHBondContact O-N 3.13Å; D126-P128 WeakPolarHBondContact O-CD 3.49Å; D126-R310 VanDerWaalsContact CA-NH1 3.29Å; D126-R310 IonicContact OD1-CZ 2.97Å; D126-R310 IonicContact OD1-NE 2.82Å; D126-R310 IonicContact OD1-NH1 3.47Å; D126-R310 PolarHBondContact OD1-NH1 3.01Å; D126-R310 IonicContact OD1-NH2 3.89Å; D126-R310 PolarHBondContact OD1-NH2 2.89Å |
| 127 | L | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 120.5 | 176.7 | -54.7 | 177.3 | 0 | 0 | 0 | 110.3 | Y123 L124 D125 I159 V162 R196 F197 Y200 | Y123-L127 WeakPolarHBondContact CA-O 3.32Å; L124-L127 PolarHBondContact N-O 3Å; L124-L127 VanDerWaalsContact N-O 3.14Å; L124-L127 VanDerWaalsContact O-CB 3.31Å; L124-L127 WeakPolarHBondContact O-CB 3.5Å; L124-L127 PolarHBondContact O-N 2.95Å; D125-L127 PolarHBondContact O-N 3.04Å; L127-I159 HydrophobicContact CD1-CG2 4.12Å; L127-V162 HydrophobicContact CB-CG2 4.41Å; L127-V162 HydrophobicContact CD1-CG2 4.06Å; L127-R196 HydrophobicContact CD2-CG 4.09Å; L127-F197 HydrophobicContact CD2-CD2 4.33Å; L127-Y200 HydrophobicContact CB-CE2 4.3Å; L127-Y200 HydrophobicContact CD2-CE2 4.04Å |
| 128 | P | 92.3 | Very high | 91 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.032 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 146.9 | 179.5 | 30.6 | -34.5 | 0 | 0 | 0 | 111.6 | Y123 D126 W130 Y200 | Y123-P128 HydrophobicContact CD1-CB 4.03Å; Y123-P128 HydrophobicContact CE1-CB 3.54Å; Y123-P128 HydrophobicContact CE1-CG 4.38Å; D126-P128 WeakPolarHBondContact O-CD 3.49Å; P128-W130 HydrophobicContact CB-CH2 3.77Å; P128-W130 HydrophobicContact CB-CZ2 3.28Å; P128-W130 HydrophobicContact CG-CH2 3.44Å; P128-W130 VanDerWaalsContact CG-CH2 3.44Å; P128-W130 HydrophobicContact CG-CZ2 3.48Å; P128-W130 VanDerWaalsContact CG-CZ2 3.48Å; P128-W130 HydrophobicContact CG-CZ3 4.38Å; P128-Y200 HydrophobicContact CG-CD1 3.97Å; P128-Y200 HydrophobicContact CG-CE1 3.89Å; P128-Y200 HydrophobicContact CG-CG 4.32Å; P128-Y200 WeakPolarHBondContact O-CE1 3.34Å; P128-Y200 VanDerWaalsContact O-CZ 3.29Å; P128-Y200 PolarHBondContact O-OH 2.87Å |
| 129 | I | 93.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.036 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 130.9 | 176.1 | -52.9 | 164.7 | 0 | 0 | 0 | 107.6 | L33 Q121 M122 L124 L150 V162 L164 | L33-I129 HydrophobicContact CD1-CD1 4.06Å; Q121-I129 CarbonylContact C-O 3.56Å; Q121-I129 WeakPolarHBondContact CA-O 3.12Å; M122-I129 HydrophobicContact CB-CB 4.25Å; M122-I129 HydrophobicContact CE-CB 4.17Å; M122-I129 HydrophobicContact CE-CD1 4.41Å; M122-I129 HydrophobicContact CE-CG2 3.71Å; M122-I129 PolarHBondContact N-O 3.33Å; M122-I129 PolarHBondContact O-N 2.81Å; L124-I129 HydrophobicContact CB-CD1 4.24Å; I129-L150 HydrophobicContact CD1-CD2 4.36Å; I129-V162 HydrophobicContact CD1-CB 4.02Å; I129-V162 HydrophobicContact CD1-CG1 3.44Å; I129-V162 VanDerWaalsContact CD1-CG1 3.44Å; I129-V162 HydrophobicContact CG1-CB 4.17Å; I129-V162 HydrophobicContact CG1-CG1 4.03Å; I129-L164 HydrophobicContact CG2-CB 3.52Å; I129-L164 HydrophobicContact CG2-CD2 3.79Å; I129-L164 HydrophobicContact CG2-CG 4.3Å |
| 130 | W | 91.9 | Very high | 89.9 | Confident | 90 Ų | 90 | 40.5 Ų | 40.5 | 34% | 0.341 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.7 | 177.2 | -56.9 | -66.3 | 0 | 0 | 0 | 110.8 | W119 P128 Y200 Y464 | W119-W130 AromaticContact CE3-CD1 3.73Å; W119-W130 AromaticContact CZ3-CD1 3.45Å; W119-W130 VanDerWaalsContact CZ3-CD1 3.45Å; W119-W130 AromaticContact CZ3-NE1 3.91Å; P128-W130 HydrophobicContact CB-CH2 3.77Å; P128-W130 HydrophobicContact CB-CZ2 3.28Å; P128-W130 HydrophobicContact CG-CH2 3.44Å; P128-W130 VanDerWaalsContact CG-CH2 3.44Å; P128-W130 HydrophobicContact CG-CZ2 3.48Å; P128-W130 VanDerWaalsContact CG-CZ2 3.48Å; P128-W130 HydrophobicContact CG-CZ3 4.38Å; W130-Y200 AromaticContact CH2-CD1 3.78Å; W130-Y200 HydrophobicContact CH2-CD1 3.78Å; W130-Y200 HydrophobicContact CH2-CE1 4.28Å; W130-Y200 AromaticContact CZ3-CD1 3.64Å; W130-Y200 HydrophobicContact CZ3-CD1 3.64Å; W130-Y200 HydrophobicContact CZ3-CE1 4.02Å; W130-Y464 HydrophobicContact CD2-CE1 4.02Å; W130-Y464 AromaticContact CE2-CE1 3.27Å; W130-Y464 AromaticContact CE2-CZ 3.51Å; W130-Y464 AromaticContact CH2-CE1 3.83Å; W130-Y464 HydrophobicContact CH2-CE1 3.83Å; W130-Y464 HydrophobicContact CZ2-CD1 4.43Å; W130-Y464 AromaticContact CZ2-CE1 3.2Å; W130-Y464 HydrophobicContact CZ2-CE1 3.2Å; W130-Y464 AromaticContact CZ2-CZ 3.58Å; W130-Y464 WeakPolarHBondContact CZ2-OH 3.26Å; W130-Y464 HydrophobicContact CZ3-CE1 4.44Å; W130-Y464 AromaticContact NE1-CE1 3.54Å; W130-Y464 AromaticContact NE1-CZ 3.3Å; W130-Y464 VanDerWaalsContact NE1-CZ 3.3Å; W130-Y464 PolarHBondContact NE1-OH 3.31Å |
| 131 | A | 93.5 | Very high | 89.6 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 157.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W119 Y120 L164 | W119-A131 CarbonylContact C-O 3.5Å; W119-A131 WeakPolarHBondContact CA-O 3.3Å; W119-A131 WeakPolarHBondContact CB-O 3.48Å; Y120-A131 HydrophobicContact CD1-CB 4.36Å; Y120-A131 VanDerWaalsContact CD1-O 3.3Å; Y120-A131 WeakPolarHBondContact CD1-O 3.5Å; Y120-A131 HydrophobicContact CE1-CB 3.6Å; Y120-A131 HydrophobicContact CE2-CB 3.88Å; Y120-A131 PolarHBondContact N-O 3.06Å; Y120-A131 PolarHBondContact O-N 2.81Å; Y120-A131 VanDerWaalsContact O-N 3.11Å; Y120-A131 VanDerWaalsContact OH-CB 3.3Å; Y120-A131 WeakPolarHBondContact OH-CB 3.34Å; A131-L164 HydrophobicContact CB-CD2 3.36Å |
| 132 | V | 93.3 | Very high | 89.5 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 35% | 0.345 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 146.5 | 170.7 | -66.5 | 0 | 0 | 0 | 0 | 110.1 | Y120 G134 | Y120-V132 WeakPolarHBondContact CE1-O 3.47Å; V132-G134 VanDerWaalsContact C-N 3.34Å |
| 133 | V | 93.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -63.3 | -43.1 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | I38 L53 F55 F110 I114 Y118 Y120 I144 W145 | I38-V133 HydrophobicContact CD1-CG2 3.59Å; I38-V133 HydrophobicContact CG1-CG2 4.42Å; L53-V133 HydrophobicContact CD1-CG1 4.37Å; L53-V133 HydrophobicContact CD1-CG2 4.14Å; F55-V133 HydrophobicContact CZ-CG1 4.05Å; F55-V133 HydrophobicContact CZ-CG2 4.39Å; F110-V133 HydrophobicContact CD1-CG1 4.34Å; I114-V133 HydrophobicContact CG1-CG1 4.11Å; Y118-V133 PolarHBondContact O-N 3.47Å; Y120-V133 HydrophobicContact CD1-CG2 4.17Å; V133-I144 HydrophobicContact CG1-CD1 4.19Å; V133-I144 HydrophobicContact CG1-CG1 4.24Å; V133-I144 WeakPolarHBondContact O-CG1 3.46Å; V133-W145 PolarHBondContact O-N 2.86Å |
| 134 | G | 92.5 | Very high | 89.6 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | -177.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V132 S143 | V132-G134 VanDerWaalsContact C-N 3.34Å; G134-S143 CarbonylContact C-O 3.52Å; G134-S143 WeakPolarHBondContact CA-O 3.42Å |
| 135 | E | 92.1 | Very high | 89.7 | Confident | 98 Ų | 98 | 47 Ų | 47 | 46% | 0.458 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 147.1 | -178.4 | -68.1 | -178.4 | -169.6 | 0 | 0 | 109.9 | S137 S143 L169 | E135-S137 PolarHBondContact O-N 3.47Å; E135-S143 PolarHBondContact N-O 2.85Å; E135-S143 WeakPolarHBondContact O-CA 3.4Å; E135-S143 WeakPolarHBondContact O-CB 3.45Å; E135-S143 PolarHBondContact O-N 3.35Å; E135-S143 VanDerWaalsContact O-O 3.11Å; E135-L169 HydrophobicContact CB-CD2 4.42Å |
| 136 | V | 88.9 | Confident | 89.9 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 46% | 0.455 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 120.2 | 169.2 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | I114 | I114-V136 HydrophobicContact CG2-CG2 3.89Å |
| 137 | S | 83.1 | Confident | 90.2 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | trans | -59 | 161.8 | 175.5 | -173.8 | 0 | 0 | 0 | 0 | 111 | E135 D139 G140 H141 | E135-S137 PolarHBondContact O-N 3.47Å; S137-D139 PolarHBondContact O-N 3.22Å; S137-D139 VanDerWaalsContact O-N 3.12Å; S137-G140 PolarHBondContact O-N 2.87Å; S137-H141 WeakPolarHBondContact CB-O 3.3Å; S137-H141 PolarHBondContact N-O 3.1Å | ||
| 138 | K | 79.7 | Confident | 90.3 | Very high | 214 Ų | 214 | 48 Ų | 48 | 93% | 0.93 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29 | 173.5 | -66.3 | -176.6 | -179.5 | 178.2 | 0 | 112.8 | G140 | K138-G140 PolarHBondContact O-N 3.49Š|
| 139 | D | 80 | Confident | 90.5 | Very high | 129 Ų | 129 | 49.1 Ų | 49.1 | 69% | 0.69 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0.2 | 177.4 | -52 | -45.3 | 0 | 0 | 0 | 113.2 | S137 H141 | S137-D139 PolarHBondContact O-N 3.22Å; S137-D139 VanDerWaalsContact O-N 3.12Å; D139-H141 VanDerWaalsContact C-N 3.31Å; D139-H141 PolarHBondContact O-N 3.05Å |
| 140 | G | 82.7 | Confident | 90.6 | Very high | 52 Ų | 52 | 49 Ų | 49 | 54% | 0.536 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 82.2 | 2.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S137 K138 | S137-G140 PolarHBondContact O-N 2.87Å; K138-G140 PolarHBondContact O-N 3.49Å |
| 141 | H | 87.1 | Confident | 90.8 | Very high | 116 Ų | 116 | 46.1 Ų | 46.1 | 54% | 0.537 | 25% | 0.247 | S | C | . | . | trans | -88.9 | 137 | 178.1 | -65 | -60.9 | 0 | 0 | 0 | 112.1 | S137 D139 S143 | S137-H141 WeakPolarHBondContact CB-O 3.3Å; S137-H141 PolarHBondContact N-O 3.1Å; D139-H141 VanDerWaalsContact C-N 3.31Å; D139-H141 PolarHBondContact O-N 3.05Å; H141-S143 PolarHBondContact O-N 3.13Å | ||
| 142 | P | 90.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 130 | 177.9 | 30.1 | -34.4 | 0 | 0 | 0 | 110.7 | I114 L172 | I114-P142 HydrophobicContact CB-CB 4.17Å; I114-P142 HydrophobicContact CD1-CB 4.05Å; I114-P142 HydrophobicContact CG2-CB 3.95Å; P142-L172 HydrophobicContact CB-CD1 4.21Å; P142-L172 HydrophobicContact CG-CD1 4.42Å; P142-L172 WeakPolarHBondContact O-CB 3.45Å; P142-L172 PolarHBondContact O-N 3.3Å |
| 143 | S | 92.5 | Very high | 91 | Very high | 5 Ų | 5 | 43 Ų | 43 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142 | 178.3 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | I114 G134 E135 H141 T170 | I114-S143 WeakPolarHBondContact CD1-O 3.06Å; G134-S143 CarbonylContact C-O 3.52Å; G134-S143 WeakPolarHBondContact CA-O 3.42Å; E135-S143 PolarHBondContact N-O 2.85Å; E135-S143 WeakPolarHBondContact O-CA 3.4Å; E135-S143 WeakPolarHBondContact O-CB 3.45Å; E135-S143 PolarHBondContact O-N 3.35Å; E135-S143 VanDerWaalsContact O-O 3.11Å; H141-S143 PolarHBondContact O-N 3.13Å; S143-T170 CarbonylContact C-O 3.58Å; S143-T170 WeakPolarHBondContact CA-O 3.26Å; S143-T170 WeakPolarHBondContact CB-O 3.44Å |
| 144 | I | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142 | -175.3 | -166.1 | 167.4 | 0 | 0 | 0 | 111.5 | F55 F110 I114 V133 T146 T170 L172 I178 F180 | F55-I144 HydrophobicContact CE1-CD1 4.09Å; F55-I144 HydrophobicContact CZ-CD1 4.49Å; F110-I144 HydrophobicContact CD1-CD1 3.57Å; F110-I144 HydrophobicContact CD2-CD1 4.36Å; F110-I144 HydrophobicContact CE1-CD1 3.61Å; F110-I144 HydrophobicContact CE2-CD1 4.38Å; F110-I144 HydrophobicContact CG-CD1 3.98Å; F110-I144 HydrophobicContact CZ-CD1 4.03Å; I114-I144 HydrophobicContact CD1-CB 4.29Å; V133-I144 HydrophobicContact CG1-CD1 4.19Å; V133-I144 HydrophobicContact CG1-CG1 4.24Å; V133-I144 WeakPolarHBondContact O-CG1 3.46Å; I144-T146 HydrophobicContact CG2-CG2 4.14Å; I144-T170 WeakPolarHBondContact CG2-OG1 3.48Å; I144-T170 PolarHBondContact N-O 3.12Å; I144-T170 PolarHBondContact O-N 3.49Å; I144-T170 PolarHBondContact O-OG1 3.18Å; I144-L172 HydrophobicContact CB-CD1 4.44Å; I144-L172 HydrophobicContact CB-CD2 4.39Å; I144-L172 HydrophobicContact CB-CG 4.31Å; I144-L172 HydrophobicContact CG2-CD2 3.96Å; I144-L172 HydrophobicContact CG2-CG 4.17Å; I144-I178 HydrophobicContact CG2-CD1 3.91Å; I144-F180 HydrophobicContact CD1-CE1 4.31Å; I144-F180 HydrophobicContact CD1-CZ 4Å |
| 145 | W | 94.1 | Very high | 91.1 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 121.9 | 174 | -68.9 | 112.5 | 0 | 0 | 0 | 110.3 | V133 N166 L169 | V133-W145 PolarHBondContact O-N 2.86Å; W145-N166 HydrophobicContact CB-CB 4.29Å; W145-N166 HydrophobicContact CD2-CB 3.73Å; W145-N166 HydrophobicContact CE3-CB 3.94Å; W145-N166 HydrophobicContact CG-CB 3.9Å; W145-L169 HydrophobicContact CD2-CB 4.43Å; W145-L169 HydrophobicContact CD2-CD1 3.81Å; W145-L169 HydrophobicContact CE3-CB 3.89Å; W145-L169 HydrophobicContact CE3-CD1 4.14Å; W145-L169 HydrophobicContact CG-CD1 4.2Å; W145-L169 HydrophobicContact CH2-CB 4.05Å; W145-L169 HydrophobicContact CZ2-CD1 4.18Å; W145-L169 HydrophobicContact CZ3-CB 3.7Å; W145-L169 HydrophobicContact CZ3-CD1 4.5Å |
| 146 | T | 93.2 | Very high | 91.1 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -17.2 | -174.4 | 59.2 | 0 | 0 | 0 | 0 | 114 | I144 G167 D168 T170 I178 F180 S181 | I144-T146 HydrophobicContact CG2-CG2 4.14Å; T146-G167 PolarHBondContact N-O 3.33Å; T146-D168 PolarHBondContact N-O 3.05Å; T146-D168 VanDerWaalsContact OG1-CB 3.26Å; T146-D168 WeakPolarHBondContact OG1-CB 3.29Å; T146-D168 PolarHBondContact OG1-O 2.73Å; T146-T170 HydrophobicContact CG2-CG2 3.7Å; T146-T170 WeakPolarHBondContact CG2-OG1 3.34Å; T146-I178 HydrophobicContact CG2-CG2 3.42Å; T146-I178 VanDerWaalsContact CG2-CG2 3.42Å; T146-F180 HydrophobicContact CG2-CE1 4.48Å; T146-F180 CarbonylContact O-C 3.6Å; T146-F180 WeakPolarHBondContact O-CA 3.2Å; T146-S181 PolarHBondContact O-N 3.48Å |
| 147 | H | 94.9 | Very high | 91.3 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 7% | 0.074 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135 | 178 | -173 | 56 | 0 | 0 | 0 | 111.9 | G167 D168 S181 | H147-G167 WeakPolarHBondContact CA-O 3.46Å; H147-G167 WeakPolarHBondContact CB-O 3.26Å; H147-G167 PolarHBondContact N-O 3.29Å; H147-G167 PolarHBondContact O-N 3.48Å; H147-D168 HydrophobicContact CB-CB 3.9Å; H147-D168 WeakPolarHBondContact CB-OD2 3.32Å; H147-D168 IonicContact CG-OD2 3.84Å; H147-S181 WeakPolarHBondContact CA-O 3.31Å; H147-S181 PolarHBondContact ND1-O 2.9Å; H147-S181 PolarHBondContact ND1-OG 3.42Å |
| 148 | K | 94.3 | Very high | 91.8 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 112.8 | 176.1 | -64.1 | -177.9 | -167.6 | 179.6 | 0 | 110.2 | Y50 Y120 L164 S181 Y182 K183 | Y50-K148 PolarHBondContact OH-NZ 2.93Å; Y120-K148 WeakPolarHBondContact OH-CE 3.23Å; K148-L164 HydrophobicContact CB-CD1 3.82Å; K148-L164 HydrophobicContact CD-CD1 4.47Å; K148-L164 HydrophobicContact CG-CD1 4.2Å; K148-S181 PolarHBondContact N-O 3.5Å; K148-Y182 CarbonylContact O-C 3.41Å; K148-Y182 WeakPolarHBondContact O-CA 3.4Å; K148-K183 PolarHBondContact O-N 3.02Å |
| 149 | E | 95.3 | Very high | 92.4 | Very high | 29 Ų | 29 | 39.4 Ų | 39.4 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.9 | 170.3 | 176.7 | 164.3 | -170 | 0 | 0 | 109.5 | I165 K183 R185 | E149-I165 HydrophobicContact CB-CB 4.23Å; E149-I165 PolarHBondContact N-O 3.05Å; E149-I165 PolarHBondContact O-N 2.83Å; E149-K183 WeakPolarHBondContact CA-O 3.36Å; E149-K183 HydrophobicContact CB-CB 4.36Å; E149-K183 VanDerWaalsContact CD-NZ 3.28Å; E149-K183 HydrophobicContact CG-CB 4.34Å; E149-K183 HydrophobicContact CG-CD 4.16Å; E149-K183 HydrophobicContact CG-CG 4.38Å; E149-K183 VanDerWaalsContact OE1-CE 3.31Å; E149-K183 WeakPolarHBondContact OE1-CE 3.37Å; E149-K183 IonicContact OE1-NZ 2.72Å; E149-K183 PolarHBondContact OE1-NZ 3.31Å; E149-K183 IonicContact OE2-NZ 3.22Å; E149-K183 PolarHBondContact OE2-NZ 2.83Å; E149-R185 IonicContact OE1-CZ 3.59Å; E149-R185 IonicContact OE1-NE 3.88Å |
| 150 | L | 95.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.1 | 175.3 | -67.9 | 167.8 | 0 | 0 | 0 | 108.7 | L33 I86 I129 V162 N163 L164 K183 V184 R185 | L33-L150 HydrophobicContact CD2-CD1 3.84Å; I86-L150 HydrophobicContact CD1-CD1 3.94Å; I129-L150 HydrophobicContact CD1-CD2 4.36Å; L150-V162 HydrophobicContact CD2-CG1 4.33Å; L150-N163 WeakPolarHBondContact CA-O 3.21Å; L150-L164 HydrophobicContact CD2-CB 4.38Å; L150-L164 HydrophobicContact CD2-CD1 3.72Å; L150-L164 HydrophobicContact CG-CD1 4.35Å; L150-K183 PolarHBondContact N-O 3.09Å; L150-V184 WeakPolarHBondContact O-CA 3.18Å; L150-R185 PolarHBondContact O-N 2.96Å |
| 151 | E | 96 | Very high | 93.6 | Very high | 31 Ų | 31 | 32 Ų | 32 | 15% | 0.145 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.6 | 170.9 | -179.8 | -171.9 | 148.4 | 0 | 0 | 109.1 | F161 V162 N163 R185 V187 | E151-F161 HydrophobicContact CG-CE2 4.35Å; E151-V162 CarbonylContact O-C 3.56Å; E151-V162 WeakPolarHBondContact O-CA 3.49Å; E151-N163 HydrophobicContact CB-CB 4.05Å; E151-N163 PolarHBondContact N-O 2.96Å; E151-N163 PolarHBondContact O-N 3.25Å; E151-R185 CarbonylContact C-O 3.59Å; E151-R185 VanDerWaalsContact CA-O 3.28Å; E151-R185 WeakPolarHBondContact CA-O 3.33Å; E151-R185 IonicContact OE2-CZ 3.23Å; E151-R185 IonicContact OE2-NE 3.91Å; E151-R185 IonicContact OE2-NH2 3.94Å; E151-R185 PolarHBondContact OE2-NH2 2.99Å; E151-V187 HydrophobicContact CG-CG2 3.7Å |
| 152 | I | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.1 | -173.3 | -51.4 | 170.9 | 0 | 0 | 0 | 108.7 | I86 L124 I159 V162 V184 R185 W186 V187 | I86-I152 HydrophobicContact CG2-CD1 3.98Å; L124-I152 HydrophobicContact CD1-CD1 3.77Å; L124-I152 HydrophobicContact CD1-CG1 4.4Å; I152-I159 HydrophobicContact CG2-CD1 4.5Å; I152-I159 HydrophobicContact CG2-CG2 3.58Å; I152-V162 HydrophobicContact CG1-CG1 4.3Å; I152-V162 HydrophobicContact CG2-CG2 4.37Å; I152-V184 HydrophobicContact CD1-CG1 3.92Å; I152-R185 PolarHBondContact N-O 2.73Å; I152-W186 HydrophobicContact CB-CD2 4.11Å; I152-W186 HydrophobicContact CB-CE3 3.74Å; I152-W186 HydrophobicContact CB-CH2 4.17Å; I152-W186 HydrophobicContact CB-CZ3 3.8Å; I152-W186 HydrophobicContact CD1-CH2 3.98Å; I152-W186 HydrophobicContact CD1-CZ2 3.78Å; I152-W186 HydrophobicContact CD1-CZ3 4.48Å; I152-W186 HydrophobicContact CG2-CD2 4.41Å; I152-W186 HydrophobicContact CG2-CE3 3.63Å; I152-W186 HydrophobicContact CG2-CH2 3.61Å; I152-W186 HydrophobicContact CG2-CZ2 4.39Å; I152-W186 HydrophobicContact CG2-CZ3 3.19Å; I152-W186 CarbonylContact O-C 3.57Å; I152-W186 VanDerWaalsContact O-CA 3.3Å; I152-W186 WeakPolarHBondContact O-CA 3.39Å; I152-V187 PolarHBondContact O-N 2.78Å |
| 153 | G | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | V160 F161 V187 | G153-V160 PolarHBondContact O-N 3.03Å; G153-F161 VanDerWaalsContact CA-CE1 3.44Å; G153-F161 PolarHBondContact N-O 2.88Å; G153-F161 PolarHBondContact O-N 3.23Å; G153-V187 CarbonylContact C-O 3.57Å; G153-V187 VanDerWaalsContact CA-O 3.27Å; G153-V187 WeakPolarHBondContact CA-O 3.49Å |
| 154 | Y | 94.7 | Very high | 94.3 | Very high | 56 Ų | 56 | 30.5 Ų | 30.5 | 22% | 0.22 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.2 | 173.3 | 70.4 | -85.5 | 0 | 0 | 0 | 111.2 | K89 Q158 W186 V187 P188 S189 | K89-Y154 HydrophobicContact CD-CD2 4.36Å; K89-Y154 HydrophobicContact CD-CE2 4.13Å; K89-Y154 VanDerWaalsContact CE-CD2 3.44Å; K89-Y154 VanDerWaalsContact CE-CE2 3.44Å; K89-Y154 HydrophobicContact CG-CD1 4.4Å; K89-Y154 HydrophobicContact CG-CD2 4.17Å; K89-Y154 HydrophobicContact CG-CE1 4.29Å; K89-Y154 HydrophobicContact CG-CE2 4.09Å; K89-Y154 HydrophobicContact CG-CG 4.32Å; Y154-Q158 VanDerWaalsContact CA-O 3.26Å; Y154-Q158 WeakPolarHBondContact CA-O 3.18Å; Y154-Q158 WeakPolarHBondContact CB-O 3.5Å; Y154-W186 HydrophobicContact CD1-CB 4.11Å; Y154-W186 AromaticContact CD1-CE3 3.88Å; Y154-W186 HydrophobicContact CD1-CE3 3.88Å; Y154-W186 HydrophobicContact CE1-CB 4.02Å; Y154-W186 HydrophobicContact CG-CE3 4.4Å; Y154-V187 WeakPolarHBondContact CD1-O 3.37Å; Y154-V187 PolarHBondContact N-O 3.14Å; Y154-P188 HydrophobicContact CE1-CB 4.45Å; Y154-S189 PolarHBondContact O-N 3.46Å |
| 155 | N | 93.9 | Very high | 94.3 | Very high | 44 Ų | 44 | 34.2 Ų | 34.2 | 24% | 0.235 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.7 | 167.2 | -172.9 | 3.7 | 0 | 0 | 0 | 107 | N157 Q158 V160 S189 I191 | N155-N157 PolarHBondContact O-N 3.22Å; N155-Q158 PolarHBondContact N-O 2.85Å; N155-Q158 PolarHBondContact O-N 2.95Å; N155-V160 HydrophobicContact CB-CG2 3.55Å; N155-S189 WeakPolarHBondContact CB-O 3.21Å; N155-I191 PolarHBondContact ND2-O 2.84Å |
| 156 | E | 91.5 | Very high | 94.3 | Very high | 152 Ų | 152 | 33.8 Ų | 33.8 | 71% | 0.71 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48 | -110 | -171.5 | -58.8 | -174.6 | 167.7 | 0 | 0 | 112.7 | K89 | K89-E156 WeakPolarHBondContact CE-O 3.26Å; K89-E156 PolarHBondContact NZ-O 3.39Å |
| 157 | N | 93 | Very high | 94.1 | Very high | 63 Ų | 63 | 34.1 Ų | 34.1 | 34% | 0.337 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 18.8 | -179.4 | -71.9 | -6.1 | 0 | 0 | 0 | 112.9 | V24 Y25 K89 N155 | V24-N157 WeakPolarHBondContact CA-O 3.44Å; V24-N157 HydrophobicContact CG1-CB 4.17Å; Y25-N157 PolarHBondContact N-O 3.45Å; Y25-N157 WeakPolarHBondContact O-CB 3.35Å; K89-N157 PolarHBondContact NZ-OD1 2.8Å; N155-N157 PolarHBondContact O-N 3.22Å |
| 158 | Q | 93.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 22% | 0.224 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 150.5 | -176 | -48.7 | -166.8 | -75.5 | 0 | 0 | 112.1 | H23 V24 Y154 N155 F193 | H23-Q158 VanDerWaalsContact O-CG 3.26Å; H23-Q158 WeakPolarHBondContact O-CG 3.39Å; H23-Q158 PolarHBondContact O-NE2 2.99Å; H23-Q158 VanDerWaalsContact O-NE2 3.08Å; V24-Q158 HydrophobicContact CG2-CG 4.3Å; Y154-Q158 VanDerWaalsContact CA-O 3.26Å; Y154-Q158 WeakPolarHBondContact CA-O 3.18Å; Y154-Q158 WeakPolarHBondContact CB-O 3.5Å; N155-Q158 PolarHBondContact N-O 2.85Å; N155-Q158 PolarHBondContact O-N 2.95Å; Q158-F193 HydrophobicContact CB-CD2 3.61Å; Q158-F193 HydrophobicContact CB-CE2 4.12Å; Q158-F193 HydrophobicContact CB-CG 4.44Å; Q158-F193 HydrophobicContact CG-CD2 4.19Å; Q158-F193 VanDerWaalsContact OE1-CG 3.27Å |
| 159 | I | 93.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129 | 177.9 | -55.1 | -179.3 | 0 | 0 | 0 | 109.2 | Y25 V31 F88 L124 D125 L127 I152 V162 W186 R196 | Y25-I159 HydrophobicContact CD2-CD1 4.04Å; Y25-I159 HydrophobicContact CD2-CG1 3.97Å; Y25-I159 HydrophobicContact CE2-CD1 3.66Å; Y25-I159 HydrophobicContact CE2-CG1 3.86Å; V31-I159 HydrophobicContact CG1-CD1 3.74Å; V31-I159 HydrophobicContact CG2-CD1 4.16Å; F88-I159 HydrophobicContact CD2-CG1 4.33Å; F88-I159 HydrophobicContact CE2-CG1 4.01Å; L124-I159 HydrophobicContact CD2-CD1 3.62Å; L124-I159 HydrophobicContact CD2-CG2 4.01Å; D125-I159 HydrophobicContact CB-CB 4.31Å; D125-I159 HydrophobicContact CB-CD1 4.08Å; L127-I159 HydrophobicContact CD1-CG2 4.12Å; I152-I159 HydrophobicContact CG2-CD1 4.5Å; I152-I159 HydrophobicContact CG2-CG2 3.58Å; I159-V162 HydrophobicContact CG2-CG2 4.31Å; I159-W186 HydrophobicContact CD1-CH2 3.84Å; I159-W186 HydrophobicContact CD1-CZ3 4.2Å; I159-W186 HydrophobicContact CG1-CH2 4.24Å; I159-W186 HydrophobicContact CG1-CZ3 4.11Å; I159-R196 PolarHBondContact O-NH1 3.4Å |
| 160 | V | 93.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -31.4 | -169.8 | -170 | 0 | 0 | 0 | 0 | 112.9 | G153 N155 I191 R196 | G153-V160 PolarHBondContact O-N 3.03Å; N155-V160 HydrophobicContact CB-CG2 3.55Å; V160-I191 HydrophobicContact CG1-CB 3.48Å; V160-I191 VanDerWaalsContact CG1-CB 3.48Å; V160-I191 HydrophobicContact CG1-CG2 3.36Å; V160-R196 HydrophobicContact CB-CB 4.46Å; V160-R196 HydrophobicContact CG1-CB 3.75Å; V160-R196 WeakPolarHBondContact O-CB 3.42Å |
| 161 | F | 94.6 | Very high | 93.3 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 156 | 171.3 | 69.4 | -100.3 | 0 | 0 | 0 | 111.5 | E151 G153 I191 K199 | E151-F161 HydrophobicContact CG-CE2 4.35Å; G153-F161 VanDerWaalsContact CA-CE1 3.44Å; G153-F161 PolarHBondContact N-O 2.88Å; G153-F161 PolarHBondContact O-N 3.23Å; F161-I191 HydrophobicContact CD1-CD1 4.3Å; F161-K199 HydrophobicContact CB-CD 4.23Å |
| 162 | V | 94.5 | Very high | 93 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.3 | 168.8 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | L124 L127 I129 L150 E151 I152 I159 K199 | L124-V162 HydrophobicContact CB-CG2 4.2Å; L124-V162 HydrophobicContact CD1-CG2 4.49Å; L124-V162 HydrophobicContact CD2-CG2 3.8Å; L124-V162 HydrophobicContact CG-CG2 4.38Å; L127-V162 HydrophobicContact CB-CG2 4.41Å; L127-V162 HydrophobicContact CD1-CG2 4.06Å; I129-V162 HydrophobicContact CD1-CB 4.02Å; I129-V162 HydrophobicContact CD1-CG1 3.44Å; I129-V162 VanDerWaalsContact CD1-CG1 3.44Å; I129-V162 HydrophobicContact CG1-CB 4.17Å; I129-V162 HydrophobicContact CG1-CG1 4.03Å; L150-V162 HydrophobicContact CD2-CG1 4.33Å; E151-V162 CarbonylContact O-C 3.56Å; E151-V162 WeakPolarHBondContact O-CA 3.49Å; I152-V162 HydrophobicContact CG1-CG1 4.3Å; I152-V162 HydrophobicContact CG2-CG2 4.37Å; I159-V162 HydrophobicContact CG2-CG2 4.31Å; V162-K199 PolarHBondContact O-NZ 3.49Å |
| 163 | N | 94.9 | Very high | 92.6 | Very high | 57 Ų | 57 | 48.1 Ų | 48.1 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.5 | 173 | -82.3 | -35.5 | 0 | 0 | 0 | 108.5 | L150 E151 K199 | L150-N163 WeakPolarHBondContact CA-O 3.21Å; E151-N163 HydrophobicContact CB-CB 4.05Å; E151-N163 PolarHBondContact N-O 2.96Å; E151-N163 PolarHBondContact O-N 3.25Å; N163-K199 WeakPolarHBondContact OD1-CE 3.31Å; N163-K199 PolarHBondContact OD1-NZ 3.41Å |
| 164 | L | 94.5 | Very high | 92.3 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.6 | 171.7 | 174.8 | 71.2 | 0 | 0 | 0 | 108.7 | M122 I129 A131 K148 L150 | M122-L164 HydrophobicContact CE-CD1 4.33Å; M122-L164 HydrophobicContact CE-CD2 3.59Å; M122-L164 HydrophobicContact CE-CG 4.49Å; I129-L164 HydrophobicContact CG2-CB 3.52Å; I129-L164 HydrophobicContact CG2-CD2 3.79Å; I129-L164 HydrophobicContact CG2-CG 4.3Å; A131-L164 HydrophobicContact CB-CD2 3.36Å; K148-L164 HydrophobicContact CB-CD1 3.82Å; K148-L164 HydrophobicContact CD-CD1 4.47Å; K148-L164 HydrophobicContact CG-CD1 4.2Å; L150-L164 HydrophobicContact CD2-CB 4.38Å; L150-L164 HydrophobicContact CD2-CD1 3.72Å; L150-L164 HydrophobicContact CG-CD1 4.35Å |
| 165 | I | 94.5 | Very high | 92 | Very high | 78 Ų | 78 | 56 Ų | 56 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.5 | 175.6 | -55.4 | 168.1 | 0 | 0 | 0 | 106.8 | E149 | E149-I165 HydrophobicContact CB-CB 4.23Å; E149-I165 PolarHBondContact N-O 3.05Å; E149-I165 PolarHBondContact O-N 2.83Å |
| 166 | N | 92.3 | Very high | 91.9 | Very high | 40 Ų | 40 | 56.2 Ų | 56.2 | 21% | 0.214 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135.5 | 173.5 | -68.2 | -30 | 0 | 0 | 0 | 109.5 | W145 | W145-N166 HydrophobicContact CB-CB 4.29Å; W145-N166 HydrophobicContact CD2-CB 3.73Å; W145-N166 HydrophobicContact CE3-CB 3.94Å; W145-N166 HydrophobicContact CG-CB 3.9Å |
| 167 | G | 90 | Very high | 91.9 | Very high | 16 Ų | 16 | 55.3 Ų | 55.3 | 17% | 0.165 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 169 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T146 H147 | T146-G167 PolarHBondContact N-O 3.33Å; H147-G167 WeakPolarHBondContact CA-O 3.46Å; H147-G167 WeakPolarHBondContact CB-O 3.26Å; H147-G167 PolarHBondContact N-O 3.29Å; H147-G167 PolarHBondContact O-N 3.48Å |
| 168 | D | 90.1 | Very high | 91.8 | Very high | 80 Ų | 80 | 53 Ų | 53 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.4 | 76.3 | 175.9 | -57.6 | -23.8 | 0 | 0 | 0 | 113.3 | K94 T146 H147 T170 | K94-D168 IonicContact NZ-OD2 2.65Å; K94-D168 PolarHBondContact NZ-OD2 3.4Å; T146-D168 PolarHBondContact N-O 3.05Å; T146-D168 VanDerWaalsContact OG1-CB 3.26Å; T146-D168 WeakPolarHBondContact OG1-CB 3.29Å; T146-D168 PolarHBondContact OG1-O 2.73Å; H147-D168 HydrophobicContact CB-CB 3.9Å; H147-D168 WeakPolarHBondContact CB-OD2 3.32Å; H147-D168 IonicContact CG-OD2 3.84Å; D168-T170 PolarHBondContact O-N 2.88Å |
| 169 | L | 91.4 | Very high | 91.8 | Very high | 66 Ų | 66 | 53.4 Ų | 53.4 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 110.9 | 174.1 | -171.2 | 66.8 | 0 | 0 | 0 | 109.8 | E135 W145 | E135-L169 HydrophobicContact CB-CD2 4.42Å; W145-L169 HydrophobicContact CD2-CB 4.43Å; W145-L169 HydrophobicContact CD2-CD1 3.81Å; W145-L169 HydrophobicContact CE3-CB 3.89Å; W145-L169 HydrophobicContact CE3-CD1 4.14Å; W145-L169 HydrophobicContact CG-CD1 4.2Å; W145-L169 HydrophobicContact CH2-CB 4.05Å; W145-L169 HydrophobicContact CZ2-CD1 4.18Å; W145-L169 HydrophobicContact CZ3-CB 3.7Å; W145-L169 HydrophobicContact CZ3-CD1 4.5Å |
| 170 | T | 91.3 | Very high | 91.9 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 26% | 0.258 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.5 | -176.2 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | S143 I144 T146 D168 L172 | S143-T170 CarbonylContact C-O 3.58Å; S143-T170 WeakPolarHBondContact CA-O 3.26Å; S143-T170 WeakPolarHBondContact CB-O 3.44Å; I144-T170 WeakPolarHBondContact CG2-OG1 3.48Å; I144-T170 PolarHBondContact N-O 3.12Å; I144-T170 PolarHBondContact O-N 3.49Å; I144-T170 PolarHBondContact O-OG1 3.18Å; T146-T170 HydrophobicContact CG2-CG2 3.7Å; T146-T170 WeakPolarHBondContact CG2-OG1 3.34Å; D168-T170 PolarHBondContact O-N 2.88Å; T170-L172 PolarHBondContact O-N 3.26Å |
| 171 | P | 91.1 | Very high | 91.9 | Very high | 72 Ų | 72 | 54.3 Ų | 54.3 | 47% | 0.468 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 130.6 | 177.2 | 27.6 | -33.3 | 0 | 0 | 0 | 110.7 | K173 | P171-K173 PolarHBondContact O-N 3.02Å |
| 172 | L | 89.2 | Confident | 91.9 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | trans | -70.6 | 127 | 177.3 | -76 | 161.8 | 0 | 0 | 0 | 110.2 | Y107 F110 I114 P142 I144 T170 I178 | Y107-L172 HydrophobicContact CD2-CB 4.2Å; Y107-L172 HydrophobicContact CE2-CB 4.05Å; F110-L172 HydrophobicContact CB-CD1 3.67Å; F110-L172 HydrophobicContact CB-CD2 4.22Å; F110-L172 HydrophobicContact CD2-CD2 4.3Å; I114-L172 HydrophobicContact CD1-CD1 3.37Å; P142-L172 HydrophobicContact CB-CD1 4.21Å; P142-L172 HydrophobicContact CG-CD1 4.42Å; P142-L172 WeakPolarHBondContact O-CB 3.45Å; P142-L172 PolarHBondContact O-N 3.3Å; I144-L172 HydrophobicContact CB-CD1 4.44Å; I144-L172 HydrophobicContact CB-CD2 4.39Å; I144-L172 HydrophobicContact CB-CG 4.31Å; I144-L172 HydrophobicContact CG2-CD2 3.96Å; I144-L172 HydrophobicContact CG2-CG 4.17Å; T170-L172 PolarHBondContact O-N 3.26Å; L172-I178 HydrophobicContact CD2-CD1 3.67Å | ||
| 173 | K | 88.7 | Confident | 91.9 | Very high | 123 Ų | 123 | 56.1 Ų | 56.1 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | trans | -128.5 | 140.6 | 172.4 | -67 | -179.6 | -177.3 | 178.3 | 0 | 109.4 | P171 T176 | P171-K173 PolarHBondContact O-N 3.02Å; K173-T176 HydrophobicContact CB-CG2 3.61Å; K173-T176 PolarHBondContact O-OG1 3.11Å | ||
| 174 | P | 88.3 | Confident | 91.9 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 49% | 0.494 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 145.5 | 175 | 28 | -33.8 | 0 | 0 | 0 | 110.2 | T176 | P174-T176 VanDerWaalsContact C-N 3.28Å; P174-T176 PolarHBondContact O-N 3.14Å |
| 175 | N | 88.5 | Confident | 92 | Very high | 146 Ų | 146 | 56.5 Ų | 56.5 | 78% | 0.781 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 31.4 | 179.9 | -55.5 | -36.5 | 0 | 0 | 0 | 114.5 | V102 | V102-N175 WeakPolarHBondContact O-CA 3.41Å; V102-N175 PolarHBondContact O-N 3.2Å |
| 176 | T | 91.1 | Very high | 92.1 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 149.4 | 171.1 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | V102 K173 P174 | V102-T176 WeakPolarHBondContact CB-O 3.21Å; V102-T176 WeakPolarHBondContact CG2-O 3.4Å; V102-T176 PolarHBondContact N-O 3.06Å; K173-T176 HydrophobicContact CB-CG2 3.61Å; K173-T176 PolarHBondContact O-OG1 3.11Å; P174-T176 VanDerWaalsContact C-N 3.28Å; P174-T176 PolarHBondContact O-N 3.14Å |
| 177 | K | 91.6 | Very high | 92.3 | Very high | 133 Ų | 133 | 53.4 Ų | 53.4 | 58% | 0.578 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129 | 169.6 | -78.7 | -176.3 | 173.6 | -167.3 | 0 | 110.1 | D101 | D101-K177 WeakPolarHBondContact OD1-CE 3.49Å; D101-K177 WeakPolarHBondContact OD1-CG 3.06Å |
| 178 | I | 92 | Very high | 92.6 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.5 | 173.9 | -63.5 | -176.3 | 0 | 0 | 0 | 108.5 | E99 V100 V102 I144 T146 L172 F180 | E99-I178 WeakPolarHBondContact CA-O 3.49Å; V100-I178 PolarHBondContact N-O 2.81Å; V100-I178 PolarHBondContact O-N 3Å; V102-I178 HydrophobicContact CG2-CB 4.42Å; V102-I178 HydrophobicContact CG2-CD1 3.57Å; V102-I178 HydrophobicContact CG2-CG1 3.76Å; I144-I178 HydrophobicContact CG2-CD1 3.91Å; T146-I178 HydrophobicContact CG2-CG2 3.42Å; T146-I178 VanDerWaalsContact CG2-CG2 3.42Å; L172-I178 HydrophobicContact CD2-CD1 3.67Å; I178-F180 HydrophobicContact CG2-CD2 4.48Å; I178-F180 HydrophobicContact CG2-CE2 4.05Å; I178-F180 HydrophobicContact CG2-CZ 4.12Å |
| 179 | T | 93.1 | Very high | 92.7 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 116.2 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 109.3 | T96 E99 | T96-T179 HydrophobicContact CG2-CG2 3.41Å; T96-T179 VanDerWaalsContact CG2-CG2 3.41Å; E99-T179 HydrophobicContact CG-CG2 4.09Å |
| 180 | F | 94.1 | Very high | 92.8 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 136.9 | 171.7 | -69 | -82.9 | 0 | 0 | 0 | 109.7 | F55 M97 C98 V100 I144 T146 I178 | F55-F180 HydrophobicContact CD1-CE1 4.18Å; F55-F180 HydrophobicContact CD1-CE2 4.46Å; F55-F180 AromaticContact CD1-CZ 3.94Å; F55-F180 HydrophobicContact CD1-CZ 3.94Å; F55-F180 AromaticContact CE1-CE1 4Å; F55-F180 HydrophobicContact CE1-CE1 4Å; F55-F180 AromaticContact CE1-CZ 3.99Å; F55-F180 HydrophobicContact CE1-CZ 3.99Å; M97-F180 WeakPolarHBondContact CA-O 3.39Å; M97-F180 HydrophobicContact CB-CB 4.33Å; M97-F180 WeakPolarHBondContact CB-O 3.43Å; M97-F180 PolarHBondContact N-O 3.15Å; C98-F180 PolarHBondContact N-O 3.12Å; C98-F180 PolarHBondContact O-N 2.73Å; V100-F180 HydrophobicContact CB-CE2 4.18Å; V100-F180 HydrophobicContact CG2-CD2 3.98Å; V100-F180 HydrophobicContact CG2-CE2 3.71Å; I144-F180 HydrophobicContact CD1-CE1 4.31Å; I144-F180 HydrophobicContact CD1-CZ 4Å; T146-F180 HydrophobicContact CG2-CE1 4.48Å; T146-F180 CarbonylContact O-C 3.6Å; T146-F180 WeakPolarHBondContact O-CA 3.2Å; I178-F180 HydrophobicContact CG2-CD2 4.48Å; I178-F180 HydrophobicContact CG2-CE2 4.05Å; I178-F180 HydrophobicContact CG2-CZ 4.12Å |
| 181 | S | 94.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.084 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 153.8 | -179.5 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | K94 S95 T146 H147 K148 | K94-S181 WeakPolarHBondContact CE-OG 3.43Å; S95-S181 CarbonylContact O-C 3.29Å; S95-S181 VanDerWaalsContact O-CA 3.27Å; S95-S181 WeakPolarHBondContact O-CA 3.37Å; S95-S181 WeakPolarHBondContact O-CB 3.48Å; T146-S181 PolarHBondContact O-N 3.48Å; H147-S181 WeakPolarHBondContact CA-O 3.31Å; H147-S181 PolarHBondContact ND1-O 2.9Å; H147-S181 PolarHBondContact ND1-OG 3.42Å; K148-S181 PolarHBondContact N-O 3.5Å |
| 182 | Y | 94.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 157.7 | 178.3 | 72.9 | -76.4 | 0 | 0 | 0 | 111.4 | I84 K92 K94 S95 M97 K148 V184 | I84-Y182 HydrophobicContact CD1-CG 4.41Å; I84-Y182 HydrophobicContact CG2-CD2 3.53Å; I84-Y182 HydrophobicContact CG2-CE2 3.38Å; I84-Y182 HydrophobicContact CG2-CG 4.18Å; K92-Y182 HydrophobicContact CD-CE2 3.83Å; K92-Y182 WeakPolarHBondContact CE-OH 3.27Å; K92-Y182 HydrophobicContact CG-CE2 4.25Å; K92-Y182 PolarHBondContact NZ-OH 2.84Å; K94-Y182 WeakPolarHBondContact CA-O 3.33Å; S95-Y182 PolarHBondContact N-O 2.81Å; S95-Y182 PolarHBondContact O-N 3.17Å; S95-Y182 WeakPolarHBondContact OG-CE1 3.33Å; M97-Y182 HydrophobicContact CB-CD1 3.81Å; M97-Y182 HydrophobicContact CB-CE1 4.3Å; M97-Y182 HydrophobicContact CG-CD1 4.26Å; K148-Y182 CarbonylContact O-C 3.41Å; K148-Y182 WeakPolarHBondContact O-CA 3.4Å; Y182-V184 HydrophobicContact CD2-CG2 4.14Å; Y182-V184 HydrophobicContact CE2-CG2 4.39Å |
| 183 | K | 94.9 | Very high | 92.7 | Very high | 64 Ų | 64 | 64.9 Ų | 64.9 | 28% | 0.278 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 139.4 | 175.2 | 179.9 | -178.1 | 169.8 | -152.4 | 0 | 108.1 | K92 K148 E149 L150 | K92-K183 WeakPolarHBondContact O-CG 3.46Å; K148-K183 PolarHBondContact O-N 3.02Å; E149-K183 WeakPolarHBondContact CA-O 3.36Å; E149-K183 HydrophobicContact CB-CB 4.36Å; E149-K183 VanDerWaalsContact CD-NZ 3.28Å; E149-K183 HydrophobicContact CG-CB 4.34Å; E149-K183 HydrophobicContact CG-CD 4.16Å; E149-K183 HydrophobicContact CG-CG 4.38Å; E149-K183 VanDerWaalsContact OE1-CE 3.31Å; E149-K183 WeakPolarHBondContact OE1-CE 3.37Å; E149-K183 IonicContact OE1-NZ 2.72Å; E149-K183 PolarHBondContact OE1-NZ 3.31Å; E149-K183 IonicContact OE2-NZ 3.22Å; E149-K183 PolarHBondContact OE2-NZ 2.83Å; L150-K183 PolarHBondContact N-O 3.09Å |
| 184 | V | 95.6 | Very high | 92.7 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.4 | 177.9 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | I86 K92 L150 I152 Y182 | I86-V184 HydrophobicContact CG1-CG2 4.15Å; I86-V184 HydrophobicContact CG2-CG1 4.15Å; K92-V184 HydrophobicContact CB-CB 3.92Å; K92-V184 HydrophobicContact CB-CG2 4.27Å; K92-V184 PolarHBondContact N-O 2.93Å; K92-V184 PolarHBondContact O-N 2.9Å; L150-V184 WeakPolarHBondContact O-CA 3.18Å; I152-V184 HydrophobicContact CD1-CG1 3.92Å; Y182-V184 HydrophobicContact CD2-CG2 4.14Å; Y182-V184 HydrophobicContact CE2-CG2 4.39Å |
| 185 | R | 96.5 | Very high | 92.7 | Very high | 95 Ų | 95 | 61.5 Ų | 61.5 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.5 | 176.9 | -178.4 | 172.6 | 67.7 | 176.7 | -2.1 | 109.6 | N91 E149 L150 E151 I152 V187 | N91-R185 WeakPolarHBondContact OD1-CA 3.28Å; E149-R185 IonicContact OE1-CZ 3.59Å; E149-R185 IonicContact OE1-NE 3.88Å; L150-R185 PolarHBondContact O-N 2.96Å; E151-R185 CarbonylContact C-O 3.59Å; E151-R185 VanDerWaalsContact CA-O 3.28Å; E151-R185 WeakPolarHBondContact CA-O 3.33Å; E151-R185 IonicContact OE2-CZ 3.23Å; E151-R185 IonicContact OE2-NE 3.91Å; E151-R185 IonicContact OE2-NH2 3.94Å; E151-R185 PolarHBondContact OE2-NH2 2.99Å; I152-R185 PolarHBondContact N-O 2.73Å; R185-V187 HydrophobicContact CG-CG2 4.12Å |
| 186 | W | 96.7 | Very high | 92.8 | Very high | 15 Ų | 15 | 55.4 Ų | 55.4 | 6% | 0.057 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 135 | 171.4 | -67.5 | 92.3 | 0 | 0 | 0 | 110.2 | V31 I86 R87 F88 I90 N91 I152 Y154 I159 | V31-W186 HydrophobicContact CG2-CH2 4.1Å; V31-W186 HydrophobicContact CG2-CZ2 4.26Å; I86-W186 HydrophobicContact CG2-CZ2 3.86Å; R87-W186 PolarHBondContact O-NE1 3.47Å; F88-W186 HydrophobicContact CD2-CE3 4.43Å; F88-W186 AromaticContact CD2-CH2 3.5Å; F88-W186 HydrophobicContact CD2-CH2 3.5Å; F88-W186 HydrophobicContact CD2-CZ2 4.25Å; F88-W186 AromaticContact CD2-CZ3 3.59Å; F88-W186 HydrophobicContact CD2-CZ3 3.59Å; F88-W186 HydrophobicContact CE2-CH2 4.13Å; F88-W186 AromaticContact CE2-CZ3 3.75Å; F88-W186 HydrophobicContact CE2-CZ3 3.75Å; F88-W186 HydrophobicContact CG-CH2 4.44Å; I90-W186 VanDerWaalsContact C-CD1 3.4Å; I90-W186 PolarHBondContact O-NE1 2.77Å; I90-W186 VanDerWaalsContact O-NE1 3.15Å; N91-W186 PolarHBondContact OD1-N 2.91Å; I152-W186 HydrophobicContact CB-CD2 4.11Å; I152-W186 HydrophobicContact CB-CE3 3.74Å; I152-W186 HydrophobicContact CB-CH2 4.17Å; I152-W186 HydrophobicContact CB-CZ3 3.8Å; I152-W186 HydrophobicContact CD1-CH2 3.98Å; I152-W186 HydrophobicContact CD1-CZ2 3.78Å; I152-W186 HydrophobicContact CD1-CZ3 4.48Å; I152-W186 HydrophobicContact CG2-CD2 4.41Å; I152-W186 HydrophobicContact CG2-CE3 3.63Å; I152-W186 HydrophobicContact CG2-CH2 3.61Å; I152-W186 HydrophobicContact CG2-CZ2 4.39Å; I152-W186 HydrophobicContact CG2-CZ3 3.19Å; I152-W186 CarbonylContact O-C 3.57Å; I152-W186 VanDerWaalsContact O-CA 3.3Å; I152-W186 WeakPolarHBondContact O-CA 3.39Å; Y154-W186 HydrophobicContact CD1-CB 4.11Å; Y154-W186 AromaticContact CD1-CE3 3.88Å; Y154-W186 HydrophobicContact CD1-CE3 3.88Å; Y154-W186 HydrophobicContact CE1-CB 4.02Å; Y154-W186 HydrophobicContact CG-CE3 4.4Å; I159-W186 HydrophobicContact CD1-CH2 3.84Å; I159-W186 HydrophobicContact CD1-CZ3 4.2Å; I159-W186 HydrophobicContact CG1-CH2 4.24Å; I159-W186 HydrophobicContact CG1-CZ3 4.11Å |
| 187 | V | 95.8 | Very high | 92.8 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.4 | -179.3 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | E151 I152 G153 Y154 R185 | E151-V187 HydrophobicContact CG-CG2 3.7Å; I152-V187 PolarHBondContact O-N 2.78Å; G153-V187 CarbonylContact C-O 3.57Å; G153-V187 VanDerWaalsContact CA-O 3.27Å; G153-V187 WeakPolarHBondContact CA-O 3.49Å; Y154-V187 WeakPolarHBondContact CD1-O 3.37Å; Y154-V187 PolarHBondContact N-O 3.14Å; R185-V187 HydrophobicContact CG-CG2 4.12Å |
| 188 | P | 95.5 | Very high | 92.6 | Very high | 94 Ų | 94 | 50 Ų | 50 | 61% | 0.61 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 139.1 | 173.4 | 28.7 | -33.9 | 0 | 0 | 0 | 110.3 | Y154 | Y154-P188 HydrophobicContact CE1-CB 4.45Å |
| 189 | S | 93.4 | Very high | 92.4 | Very high | 21 Ų | 21 | 54.1 Ų | 54.1 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | trans | -132.1 | 147 | 179.5 | -168.7 | 0 | 0 | 0 | 0 | 111 | Y154 N155 I191 | Y154-S189 PolarHBondContact O-N 3.46Å; N155-S189 WeakPolarHBondContact CB-O 3.21Å; S189-I191 WeakPolarHBondContact OG-CG1 3.25Å; S189-I191 PolarHBondContact OG-N 3.16Å | ||
| 190 | E | 92.8 | Very high | 92.2 | Very high | 197 Ų | 197 | 53 Ų | 53 | 92% | 0.921 | 27% | 0.27 | S | S | * | . | trans | -94.3 | 1.8 | 175.5 | -60.5 | -177.9 | 169.9 | 0 | 0 | 112.8 | ||||
| 191 | I | 91.9 | Very high | 91.9 | Very high | 77 Ų | 77 | 53 Ų | 53 | 40% | 0.395 | 27% | 0.27 | S | S | . | . | trans | -70.1 | 133 | -179.5 | -60.5 | 166.6 | 0 | 0 | 0 | 108.8 | N155 V160 F161 S189 | N155-I191 PolarHBondContact ND2-O 2.84Å; V160-I191 HydrophobicContact CG1-CB 3.48Å; V160-I191 VanDerWaalsContact CG1-CB 3.48Å; V160-I191 HydrophobicContact CG1-CG2 3.36Å; F161-I191 HydrophobicContact CD1-CD1 4.3Å; S189-I191 WeakPolarHBondContact OG-CG1 3.25Å; S189-I191 PolarHBondContact OG-N 3.16Å | ||
| 192 | D | 90.8 | Very high | 91.4 | Very high | 91 Ų | 91 | 55.1 Ų | 55.1 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | trans | -69.8 | 146.6 | 175.8 | -172 | 32 | 0 | 0 | 0 | 111.2 | A194 D195 R196 | D192-A194 PolarHBondContact O-N 3.16Å; D192-A194 WeakPolarHBondContact OD2-CB 3.47Å; D192-D195 PolarHBondContact O-N 2.88Å; D192-R196 PolarHBondContact O-N 3.43Å | ||
| 193 | F | 88 | Confident | 90.9 | Very high | 46 Ų | 46 | 59.5 Ų | 59.5 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -59.6 | -34.6 | -179.3 | -179.7 | -95.5 | 0 | 0 | 0 | 112.1 | H23 Q158 D195 R196 | H23-F193 HydrophobicContact CB-CE1 4.4Å; H23-F193 HydrophobicContact CB-CE2 3.54Å; H23-F193 HydrophobicContact CB-CZ 3.32Å; H23-F193 AromaticContact CD2-CZ 3.68Å; H23-F193 AromaticContact CG-CZ 3.58Å; Q158-F193 HydrophobicContact CB-CD2 3.61Å; Q158-F193 HydrophobicContact CB-CE2 4.12Å; Q158-F193 HydrophobicContact CB-CG 4.44Å; Q158-F193 HydrophobicContact CG-CD2 4.19Å; Q158-F193 VanDerWaalsContact OE1-CG 3.27Å; F193-D195 PolarHBondContact O-N 3.05Å; F193-R196 WeakPolarHBondContact O-CB 3.42Å; F193-R196 WeakPolarHBondContact O-CD 3.4Å; F193-R196 WeakPolarHBondContact O-CG 3.49Å; F193-R196 PolarHBondContact O-N 2.95Å |
| 194 | A | 87.3 | Confident | 90.3 | Very high | 54 Ų | 54 | 65 Ų | 65 | 45% | 0.446 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -65.2 | -22.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D192 K305 | D192-A194 PolarHBondContact O-N 3.16Å; D192-A194 WeakPolarHBondContact OD2-CB 3.47Å; A194-K305 PolarHBondContact O-NZ 3.08Å |
| 195 | D | 88.7 | Confident | 89.6 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -108.3 | 3.4 | -176.3 | -62.7 | -22.5 | 0 | 0 | 0 | 112.1 | D192 F193 F197 D198 K305 | D192-D195 PolarHBondContact O-N 2.88Å; F193-D195 PolarHBondContact O-N 3.05Å; D195-F197 PolarHBondContact O-N 3Å; D195-D198 VanDerWaalsContact O-CB 3.29Å; D195-D198 WeakPolarHBondContact O-CB 3.1Å; D195-D198 PolarHBondContact O-N 3.03Å; D195-K305 IonicContact OD1-NZ 2.67Å |
| 196 | R | 90.8 | Very high | 88.6 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -52.6 | -33.3 | -179.8 | 78.2 | -179.1 | -174.8 | 156.6 | -5.4 | 114.1 | H23 D125 L127 I159 V160 D192 F193 | H23-R196 PolarHBondContact CE1-NH2 2.97Å; H23-R196 PolarHBondContact ND1-NH2 3.37Å; H23-R196 PolarHBondContact NE2-NH2 3.08Å; D125-R196 PolarHBondContact O-NH1 2.86Å; D125-R196 PolarHBondContact O-NH2 2.94Å; D125-R196 IonicContact OD2-CZ 2.92Å; D125-R196 IonicContact OD2-NH1 2.73Å; D125-R196 PolarHBondContact OD2-NH1 3.15Å; L127-R196 HydrophobicContact CD2-CG 4.09Å; I159-R196 PolarHBondContact O-NH1 3.4Å; V160-R196 HydrophobicContact CB-CB 4.46Å; V160-R196 HydrophobicContact CG1-CB 3.75Å; V160-R196 WeakPolarHBondContact O-CB 3.42Å; D192-R196 PolarHBondContact O-N 3.43Å; F193-R196 WeakPolarHBondContact O-CB 3.42Å; F193-R196 WeakPolarHBondContact O-CD 3.4Å; F193-R196 WeakPolarHBondContact O-CG 3.49Å; F193-R196 PolarHBondContact O-N 2.95Å |
| 197 | F | 90.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -82.8 | -12.8 | -175 | -152.1 | -93.7 | 0 | 0 | 0 | 113.1 | L127 D195 K199 Y200 L201 Y307 A308 I466 | L127-F197 HydrophobicContact CD2-CD2 4.33Å; D195-F197 PolarHBondContact O-N 3Å; F197-K199 PolarHBondContact O-N 2.77Å; F197-K199 VanDerWaalsContact O-N 3.13Å; F197-Y200 HydrophobicContact CD2-CD2 4.1Å; F197-Y200 HydrophobicContact CE2-CD2 4.29Å; F197-Y200 HydrophobicContact CG-CD2 4.26Å; F197-Y200 PolarHBondContact O-N 3.34Å; F197-L201 HydrophobicContact CD1-CD2 3.93Å; F197-L201 HydrophobicContact CD1-CG 4.29Å; F197-L201 HydrophobicContact CE1-CD2 4.08Å; F197-Y307 AromaticContact CD1-CD2 3.78Å; F197-Y307 HydrophobicContact CD1-CD2 3.78Å; F197-Y307 AromaticContact CD1-CE2 3.86Å; F197-Y307 HydrophobicContact CD1-CE2 3.86Å; F197-Y307 AromaticContact CE1-CD2 3.9Å; F197-Y307 HydrophobicContact CE1-CD2 3.9Å; F197-Y307 HydrophobicContact CE1-CE2 4.44Å; F197-A308 HydrophobicContact CD2-CB 4.48Å; F197-A308 HydrophobicContact CG-CB 4.47Å; F197-I466 HydrophobicContact CE1-CD1 3.48Å; F197-I466 VanDerWaalsContact CE1-CD1 3.48Å; F197-I466 HydrophobicContact CE1-CG2 4.16Å; F197-I466 HydrophobicContact CZ-CD1 3.6Å |
| 198 | D | 88 | Confident | 86.6 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -59.4 | -29.2 | -176.9 | -78.4 | -11.7 | 0 | 0 | 0 | 113 | D195 Y200 L201 Y203 | D195-D198 VanDerWaalsContact O-CB 3.29Å; D195-D198 WeakPolarHBondContact O-CB 3.1Å; D195-D198 PolarHBondContact O-N 3.03Å; D198-Y200 PolarHBondContact O-N 3.19Å; D198-Y200 VanDerWaalsContact O-N 3.16Å; D198-L201 PolarHBondContact O-N 3.46Å; D198-Y203 HydrophobicContact CB-CE2 4.23Å; D198-Y203 PolarHBondContact OD1-OH 3.42Å |
| 199 | K | 88.4 | Confident | 86.1 | Confident | 100 Ų | 100 | 69.8 Ų | 69.8 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -55.7 | -30.1 | 173.9 | -178.9 | -177 | 173.6 | -169.6 | 0 | 113.4 | F161 V162 N163 F197 | F161-K199 HydrophobicContact CB-CD 4.23Å; V162-K199 PolarHBondContact O-NZ 3.49Å; N163-K199 WeakPolarHBondContact OD1-CE 3.31Å; N163-K199 PolarHBondContact OD1-NZ 3.41Å; F197-K199 PolarHBondContact O-N 2.77Å; F197-K199 VanDerWaalsContact O-N 3.13Å |
| 200 | Y | 88.3 | Confident | 85.5 | Confident | 32 Ų | 32 | 72.8 Ų | 72.8 | 13% | 0.125 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -92.4 | -7.4 | -178.2 | -57.9 | -75.2 | 0 | 0 | 0 | 113.1 | L127 P128 W130 F197 D198 | L127-Y200 HydrophobicContact CB-CE2 4.3Å; L127-Y200 HydrophobicContact CD2-CE2 4.04Å; P128-Y200 HydrophobicContact CG-CD1 3.97Å; P128-Y200 HydrophobicContact CG-CE1 3.89Å; P128-Y200 HydrophobicContact CG-CG 4.32Å; P128-Y200 WeakPolarHBondContact O-CE1 3.34Å; P128-Y200 VanDerWaalsContact O-CZ 3.29Å; P128-Y200 PolarHBondContact O-OH 2.87Å; W130-Y200 AromaticContact CH2-CD1 3.78Å; W130-Y200 HydrophobicContact CH2-CD1 3.78Å; W130-Y200 HydrophobicContact CH2-CE1 4.28Å; W130-Y200 AromaticContact CZ3-CD1 3.64Å; W130-Y200 HydrophobicContact CZ3-CD1 3.64Å; W130-Y200 HydrophobicContact CZ3-CE1 4.02Å; F197-Y200 HydrophobicContact CD2-CD2 4.1Å; F197-Y200 HydrophobicContact CE2-CD2 4.29Å; F197-Y200 HydrophobicContact CG-CD2 4.26Å; F197-Y200 PolarHBondContact O-N 3.34Å; D198-Y200 PolarHBondContact O-N 3.19Å; D198-Y200 VanDerWaalsContact O-N 3.16Å |
| 201 | L | 88.4 | Confident | 84.9 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | trans | -92.1 | 121.9 | -176.9 | -57 | -175.1 | 0 | 0 | 0 | 110.5 | F197 D198 Y203 Y307 I466 F468 | F197-L201 HydrophobicContact CD1-CD2 3.93Å; F197-L201 HydrophobicContact CD1-CG 4.29Å; F197-L201 HydrophobicContact CE1-CD2 4.08Å; D198-L201 PolarHBondContact O-N 3.46Å; L201-Y203 HydrophobicContact CB-CD2 4.15Å; L201-Y203 HydrophobicContact CB-CE2 3.69Å; L201-Y203 HydrophobicContact CD1-CE2 4.41Å; L201-Y203 WeakPolarHBondContact O-CD2 3.44Å; L201-Y203 PolarHBondContact O-N 3.37Å; L201-Y203 VanDerWaalsContact O-N 3.07Å; L201-Y307 HydrophobicContact CD1-CE2 3.98Å; L201-Y307 HydrophobicContact CD2-CD2 4.27Å; L201-Y307 HydrophobicContact CD2-CE2 4.18Å; L201-I466 HydrophobicContact CD2-CB 4.13Å; L201-I466 HydrophobicContact CD2-CG2 4.05Å; L201-F468 HydrophobicContact CB-CD1 3.99Å; L201-F468 HydrophobicContact CB-CE1 4.04Å; L201-F468 HydrophobicContact CD1-CB 4.08Å; L201-F468 HydrophobicContact CD1-CD1 4.22Å; L201-F468 HydrophobicContact CD1-CD2 4.38Å; L201-F468 HydrophobicContact CD1-CG 4Å; L201-F468 HydrophobicContact CD2-CB 3.95Å; L201-F468 HydrophobicContact CD2-CD1 3.92Å; L201-F468 HydrophobicContact CD2-CG 4.18Å; L201-F468 HydrophobicContact CG-CD1 4.26Å; L201-F468 HydrophobicContact CG-CG 4.49Å | ||
| 202 | D | 83.6 | Confident | 84.6 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | trans | -85.2 | 77.5 | 179.7 | -174.9 | -9.6 | 0 | 0 | 0 | 111 | E204 F205 F206 K465 | D202-E204 PolarHBondContact O-N 2.75Å; D202-E204 PolarHBondContact OD1-N 3.2Å; D202-F205 HydrophobicContact CB-CB 4.29Å; D202-F205 VanDerWaalsContact CG-CB 3.43Å; D202-F205 PolarHBondContact O-N 2.8Å; D202-F205 WeakPolarHBondContact OD1-CB 3.37Å; D202-F205 PolarHBondContact OD1-N 3.14Å; D202-F205 VanDerWaalsContact OD2-CB 3.29Å; D202-F205 WeakPolarHBondContact OD2-CB 3.42Å; D202-F206 VanDerWaalsContact O-CD2 3.25Å; D202-F206 WeakPolarHBondContact O-CD2 3.45Å; D202-F206 PolarHBondContact O-N 3.03Å; D202-F206 VanDerWaalsContact O-N 3.09Å; D202-K465 WeakPolarHBondContact OD2-CE 2.99Å; D202-K465 IonicContact OD2-NZ 3.65Å; D202-K465 PolarHBondContact OD2-NZ 2.87Å | ||
| 203 | Y | 83.1 | Confident | 84.2 | Confident | 97 Ų | 97 | 69 Ų | 69 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.9 | 179.3 | -70.7 | -79.4 | 0 | 0 | 0 | 113.7 | D198 L201 F206 G207 F468 | D198-Y203 HydrophobicContact CB-CE2 4.23Å; D198-Y203 PolarHBondContact OD1-OH 3.42Å; L201-Y203 HydrophobicContact CB-CD2 4.15Å; L201-Y203 HydrophobicContact CB-CE2 3.69Å; L201-Y203 HydrophobicContact CD1-CE2 4.41Å; L201-Y203 WeakPolarHBondContact O-CD2 3.44Å; L201-Y203 PolarHBondContact O-N 3.37Å; L201-Y203 VanDerWaalsContact O-N 3.07Å; Y203-F206 CarbonylContact O-C 3.5Å; Y203-G207 PolarHBondContact O-N 2.77Å; Y203-F468 HydrophobicContact CD1-CE1 4.43Å; Y203-F468 AromaticContact CD1-CE2 3.94Å; Y203-F468 HydrophobicContact CD1-CE2 3.94Å; Y203-F468 AromaticContact CD1-CZ 3.52Å; Y203-F468 HydrophobicContact CD1-CZ 3.52Å; Y203-F468 AromaticContact CE1-CE2 3.64Å; Y203-F468 HydrophobicContact CE1-CE2 3.64Å; Y203-F468 AromaticContact CE1-CZ 3.65Å; Y203-F468 HydrophobicContact CE1-CZ 3.65Å; Y203-F468 HydrophobicContact CG-CZ 4.25Å |
| 204 | E | 82.6 | Confident | 83.9 | Confident | 178 Ų | 178 | 66.8 Ų | 66.8 | 83% | 0.832 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -45.3 | 178.8 | -174.4 | 177 | -177.1 | 0 | 0 | 110.7 | D202 G207 | D202-E204 PolarHBondContact O-N 2.75Å; D202-E204 PolarHBondContact OD1-N 3.2Å; E204-G207 PolarHBondContact O-N 3.27Å |
| 205 | F | 80.3 | Confident | 83.8 | Confident | 40 Ų | 40 | 64.9 Ų | 64.9 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -42.7 | 176.6 | 179.4 | -102.9 | 0 | 0 | 0 | 113 | D202 G207 Y455 F456 T459 K465 | D202-F205 HydrophobicContact CB-CB 4.29Å; D202-F205 VanDerWaalsContact CG-CB 3.43Å; D202-F205 PolarHBondContact O-N 2.8Å; D202-F205 WeakPolarHBondContact OD1-CB 3.37Å; D202-F205 PolarHBondContact OD1-N 3.14Å; D202-F205 VanDerWaalsContact OD2-CB 3.29Å; D202-F205 WeakPolarHBondContact OD2-CB 3.42Å; F205-G207 PolarHBondContact O-N 3.02Å; F205-G207 VanDerWaalsContact O-N 3.1Å; F205-Y455 HydrophobicContact CZ-CE1 4.23Å; F205-F456 HydrophobicContact CD1-CD1 4.28Å; F205-F456 HydrophobicContact CD1-CE1 4.33Å; F205-F456 AromaticContact CE1-CD1 3.56Å; F205-F456 HydrophobicContact CE1-CD1 3.56Å; F205-F456 AromaticContact CE1-CE1 3.9Å; F205-F456 HydrophobicContact CE1-CE1 3.9Å; F205-F456 AromaticContact CZ-CD1 3.89Å; F205-F456 HydrophobicContact CZ-CD1 3.89Å; F205-F456 HydrophobicContact CZ-CE1 4.01Å; F205-T459 HydrophobicContact CE1-CG2 3.95Å; F205-T459 HydrophobicContact CE2-CG2 4.17Å; F205-T459 HydrophobicContact CZ-CG2 3.44Å; F205-T459 VanDerWaalsContact CZ-CG2 3.44Å; F205-K465 HydrophobicContact CB-CD 4.05Å; F205-K465 HydrophobicContact CD1-CD 3.27Å; F205-K465 HydrophobicContact CD2-CD 4.11Å; F205-K465 HydrophobicContact CE1-CD 3.63Å; F205-K465 HydrophobicContact CE2-CD 4.41Å; F205-K465 HydrophobicContact CG-CD 3.54Å; F205-K465 HydrophobicContact CZ-CD 4.2Å |
| 206 | F | 76.5 | Confident | 83.8 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 33.1 | 175.7 | -68 | -71 | 0 | 0 | 0 | 112.2 | D202 Y203 H208 H211 F456 S460 K465 I466 Y467 F468 V469 | D202-F206 VanDerWaalsContact O-CD2 3.25Å; D202-F206 WeakPolarHBondContact O-CD2 3.45Å; D202-F206 PolarHBondContact O-N 3.03Å; D202-F206 VanDerWaalsContact O-N 3.09Å; Y203-F206 CarbonylContact O-C 3.5Å; F206-H208 PolarHBondContact O-N 3.33Å; F206-H211 AromaticContact CD1-NE2 3.64Å; F206-F456 HydrophobicContact CD1-CD1 4.1Å; F206-F456 HydrophobicContact CE1-CB 4.5Å; F206-F456 HydrophobicContact CE1-CD1 4.19Å; F206-S460 VanDerWaalsContact CZ-OG 3.31Å; F206-S460 WeakPolarHBondContact CZ-OG 3.44Å; F206-K465 HydrophobicContact CE2-CB 4.02Å; F206-K465 HydrophobicContact CZ-CB 4.14Å; F206-I466 VanDerWaalsContact CE2-O 3.31Å; F206-I466 WeakPolarHBondContact CE2-O 3.33Å; F206-Y467 AromaticContact CE1-CD2 3.66Å; F206-Y467 HydrophobicContact CE1-CD2 3.66Å; F206-Y467 HydrophobicContact CE1-CE2 4.02Å; F206-Y467 HydrophobicContact CZ-CD2 4.01Å; F206-F468 HydrophobicContact CB-CE1 3.77Å; F206-F468 HydrophobicContact CB-CZ 3.76Å; F206-F468 AromaticContact CD2-CD1 3.88Å; F206-F468 HydrophobicContact CD2-CD1 3.88Å; F206-F468 AromaticContact CD2-CE1 3.34Å; F206-F468 HydrophobicContact CD2-CE1 3.34Å; F206-F468 HydrophobicContact CD2-CZ 4.22Å; F206-F468 HydrophobicContact CE2-CD1 4.19Å; F206-F468 HydrophobicContact CE2-CE1 4.09Å; F206-F468 HydrophobicContact CG-CD1 4.42Å; F206-F468 AromaticContact CG-CE1 3.78Å; F206-F468 HydrophobicContact CG-CE1 3.78Å; F206-F468 HydrophobicContact CG-CZ 4.25Å; F206-V469 HydrophobicContact CB-CG2 3.78Å; F206-V469 HydrophobicContact CD1-CG2 3.69Å; F206-V469 HydrophobicContact CE1-CG2 4.42Å; F206-V469 HydrophobicContact CG-CG2 3.79Å |
| 207 | G | 74.6 | Confident | 83.5 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | trans | -50.8 | 116.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y203 E204 F205 K209 I210 | Y203-G207 PolarHBondContact O-N 2.77Å; E204-G207 PolarHBondContact O-N 3.27Å; F205-G207 PolarHBondContact O-N 3.02Å; F205-G207 VanDerWaalsContact O-N 3.1Å; G207-K209 PolarHBondContact O-N 3.28Å; G207-I210 PolarHBondContact O-N 2.81Å | ||
| 208 | H | 76.4 | Confident | 83.2 | Confident | 98 Ų | 98 | 69 Ų | 69 | 45% | 0.454 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -50.7 | -28.6 | -173.8 | -67.9 | -65.6 | 0 | 0 | 0 | 113.8 | F206 I210 H211 W212 F472 | F206-H208 PolarHBondContact O-N 3.33Å; H208-I210 VanDerWaalsContact C-N 3.34Å; H208-I210 PolarHBondContact O-N 3.2Å; H208-H211 PolarHBondContact O-N 2.65Å; H208-W212 WeakPolarHBondContact O-CB 3.47Å; H208-W212 PolarHBondContact O-N 2.91Å; H208-F472 AromaticContact ND1-CE2 3.97Å; H208-F472 AromaticContact ND1-CZ 3.89Å |
| 209 | K | 83.9 | Confident | 83.2 | Confident | 187 Ų | 187 | 71.2 Ų | 71.2 | 81% | 0.813 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.9 | -41 | 177.7 | -63.6 | -178.3 | -177.4 | 175.4 | 0 | 112.9 | G207 F213 | G207-K209 PolarHBondContact O-N 3.28Å; K209-F213 WeakPolarHBondContact O-CB 3.48Å; K209-F213 PolarHBondContact O-N 2.78Å |
| 210 | I | 80.5 | Confident | 83.2 | Confident | 84 Ų | 84 | 70 Ų | 70 | 43% | 0.431 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.5 | -40.2 | -177.7 | -54.1 | 173.1 | 0 | 0 | 0 | 109.9 | G207 H208 F213 S214 I452 F456 | G207-I210 PolarHBondContact O-N 2.81Å; H208-I210 VanDerWaalsContact C-N 3.34Å; H208-I210 PolarHBondContact O-N 3.2Å; I210-F213 WeakPolarHBondContact O-CB 3.37Å; I210-F213 PolarHBondContact O-N 3.26Å; I210-S214 WeakPolarHBondContact O-CB 3.18Å; I210-S214 PolarHBondContact O-N 3.19Å; I210-I452 HydrophobicContact CG2-CG2 4.15Å; I210-F456 HydrophobicContact CB-CE2 4.38Å; I210-F456 HydrophobicContact CB-CZ 4.02Å; I210-F456 HydrophobicContact CD1-CZ 4.32Å; I210-F456 HydrophobicContact CG2-CE2 3.7Å; I210-F456 HydrophobicContact CG2-CZ 3.64Å |
| 211 | H | 79.8 | Confident | 83 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 175.3 | -67.7 | -68.8 | 0 | 0 | 0 | 112.3 | F206 H208 F213 S214 I215 E453 F456 F472 | F206-H211 AromaticContact CD1-NE2 3.64Å; H208-H211 PolarHBondContact O-N 2.65Å; H211-F213 VanDerWaalsContact C-N 3.32Å; H211-F213 PolarHBondContact O-N 3.41Å; H211-S214 WeakPolarHBondContact O-CB 3.15Å; H211-S214 PolarHBondContact O-N 3.43Å; H211-I215 WeakPolarHBondContact O-CG1 3.47Å; H211-I215 PolarHBondContact O-N 3.05Å; H211-E453 IonicContact CE1-OE1 2.77Å; H211-E453 IonicContact CE1-OE2 3.67Å; H211-E453 IonicContact CG-OE1 2.72Å; H211-E453 IonicContact ND1-OE1 2.89Å; H211-E453 PolarHBondContact ND1-OE1 2.92Å; H211-E453 IonicContact ND1-OE2 2.97Å; H211-E453 PolarHBondContact ND1-OE2 3.45Å; H211-F456 AromaticContact CE1-CD1 3.98Å; H211-F456 AromaticContact CE1-CD2 3.52Å; H211-F456 AromaticContact CE1-CE2 3.78Å; H211-F456 AromaticContact CE1-CG 3.64Å; H211-F456 AromaticContact ND1-CD2 3.96Å; H211-F472 HydrophobicContact CB-CD1 3.45Å; H211-F472 VanDerWaalsContact CB-CD1 3.45Å; H211-F472 HydrophobicContact CB-CE1 3.65Å; H211-F472 HydrophobicContact CB-CG 4.09Å; H211-F472 HydrophobicContact CB-CZ 4.37Å |
| 212 | W | 85.6 | Confident | 83 | Confident | 159 Ų | 159 | 71.4 Ų | 71.4 | 60% | 0.602 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.2 | -38.4 | 173.6 | -84.7 | 110.9 | 0 | 0 | 0 | 112.5 | H208 I215 F216 F472 | H208-W212 WeakPolarHBondContact O-CB 3.47Å; H208-W212 PolarHBondContact O-N 2.91Å; W212-I215 PolarHBondContact O-N 3.43Å; W212-F216 VanDerWaalsContact O-CB 3.31Å; W212-F216 WeakPolarHBondContact O-CB 3.3Å; W212-F216 PolarHBondContact O-N 3.48Å; W212-F472 HydrophobicContact CD2-CE1 4.37Å; W212-F472 HydrophobicContact CG-CE1 4.34Å; W212-F472 AromaticContact NE1-CE1 3.95Å; W212-F472 AromaticContact NE1-CZ 3.95Å |
| 213 | F | 83.8 | Confident | 83.3 | Confident | 126 Ų | 126 | 73.3 Ų | 73.3 | 55% | 0.553 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 173 | 179.1 | -96.9 | 0 | 0 | 0 | 112.1 | K209 I210 H211 F216 N217 I452 | K209-F213 WeakPolarHBondContact O-CB 3.48Å; K209-F213 PolarHBondContact O-N 2.78Å; I210-F213 WeakPolarHBondContact O-CB 3.37Å; I210-F213 PolarHBondContact O-N 3.26Å; H211-F213 VanDerWaalsContact C-N 3.32Å; H211-F213 PolarHBondContact O-N 3.41Å; F213-F216 PolarHBondContact O-N 2.87Å; F213-N217 WeakPolarHBondContact O-CB 3.24Å; F213-N217 PolarHBondContact O-N 2.96Å; F213-I452 HydrophobicContact CD1-CD1 3.95Å; F213-I452 HydrophobicContact CE1-CD1 4.03Å |
| 214 | S | 80.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.007 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.1 | -49 | 175.2 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | I210 H211 N217 S218 E453 | I210-S214 WeakPolarHBondContact O-CB 3.18Å; I210-S214 PolarHBondContact O-N 3.19Å; H211-S214 WeakPolarHBondContact O-CB 3.15Å; H211-S214 PolarHBondContact O-N 3.43Å; S214-N217 PolarHBondContact O-N 2.92Å; S214-S218 PolarHBondContact O-N 3.31Å; S214-S218 PolarHBondContact O-OG 3.35Å; S214-E453 WeakPolarHBondContact CB-OE1 3.49Å; S214-E453 PolarHBondContact OG-OE1 3.27Å |
| 215 | I | 86.3 | Confident | 83.8 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 176.4 | -71 | 177.5 | 0 | 0 | 0 | 110.6 | H211 W212 N217 S218 F219 F472 L475 V476 L479 | H211-I215 WeakPolarHBondContact O-CG1 3.47Å; H211-I215 PolarHBondContact O-N 3.05Å; W212-I215 PolarHBondContact O-N 3.43Å; I215-N217 PolarHBondContact O-N 2.86Å; I215-S218 PolarHBondContact O-N 3.32Å; I215-F219 WeakPolarHBondContact O-CB 3.45Å; I215-F219 PolarHBondContact O-N 3.16Å; I215-F472 HydrophobicContact CD1-CB 4.38Å; I215-F472 HydrophobicContact CD1-CD1 3.29Å; I215-F472 HydrophobicContact CD1-CE1 3.91Å; I215-F472 HydrophobicContact CD1-CG 4.2Å; I215-F472 HydrophobicContact CG1-CD1 4.32Å; I215-L475 HydrophobicContact CB-CD2 4.35Å; I215-L475 HydrophobicContact CD1-CD1 4.33Å; I215-L475 HydrophobicContact CD1-CD2 3.85Å; I215-L475 HydrophobicContact CG1-CD2 3.87Å; I215-L475 HydrophobicContact CG2-CD2 3.62Å; I215-V476 HydrophobicContact CG1-CG2 4.11Å; I215-L479 HydrophobicContact CG2-CD1 4.36Å |
| 216 | F | 87.9 | Confident | 84.1 | Confident | 124 Ų | 124 | 67.8 Ų | 67.8 | 54% | 0.544 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | -178.3 | -175.9 | -97.5 | 0 | 0 | 0 | 111.6 | W212 F213 F219 M220 | W212-F216 VanDerWaalsContact O-CB 3.31Å; W212-F216 WeakPolarHBondContact O-CB 3.3Å; W212-F216 PolarHBondContact O-N 3.48Å; F213-F216 PolarHBondContact O-N 2.87Å; F216-F219 PolarHBondContact O-N 2.85Å; F216-M220 HydrophobicContact CD1-CG 4.09Å; F216-M220 HydrophobicContact CE1-CG 3.69Å; F216-M220 HydrophobicContact CE1-SD 4.32Å; F216-M220 HydrophobicContact CE2-CE 4.04Å; F216-M220 HydrophobicContact CE2-CG 4.36Å; F216-M220 HydrophobicContact CE2-SD 4.39Å; F216-M220 HydrophobicContact CZ-CE 4.16Å; F216-M220 HydrophobicContact CZ-CG 3.84Å; F216-M220 HydrophobicContact CZ-SD 3.91Å; F216-M220 VanDerWaalsContact O-CG 3.28Å; F216-M220 WeakPolarHBondContact O-CG 3.36Å; F216-M220 PolarHBondContact O-N 3.46Å |
| 217 | N | 83.6 | Confident | 84.7 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 36% | 0.358 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.5 | -50.1 | 175.7 | -174 | -76.8 | 0 | 0 | 0 | 111.4 | F213 S214 I215 F219 M220 M221 | F213-N217 WeakPolarHBondContact O-CB 3.24Å; F213-N217 PolarHBondContact O-N 2.96Å; S214-N217 PolarHBondContact O-N 2.92Å; I215-N217 PolarHBondContact O-N 2.86Å; N217-F219 VanDerWaalsContact C-N 3.34Å; N217-F219 PolarHBondContact O-N 3.48Å; N217-M220 PolarHBondContact O-N 3.32Å; N217-M221 WeakPolarHBondContact O-CG 3.39Å; N217-M221 PolarHBondContact O-N 3.26Å |
| 218 | S | 84.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -41.8 | 177.4 | -66.6 | 0 | 0 | 0 | 0 | 113 | S214 I215 M221 V222 S449 | S214-S218 PolarHBondContact O-N 3.31Å; S214-S218 PolarHBondContact O-OG 3.35Å; I215-S218 PolarHBondContact O-N 3.32Å; S218-M221 WeakPolarHBondContact O-CB 3.31Å; S218-M221 PolarHBondContact O-N 2.99Å; S218-V222 WeakPolarHBondContact O-CG2 3.41Å; S218-V222 PolarHBondContact O-N 2.93Å; S218-S449 WeakPolarHBondContact OG-CA 3.4Å; S218-S449 WeakPolarHBondContact OG-CB 3.36Å; S218-S449 PolarHBondContact OG-O 3.46Å |
| 219 | F | 88.2 | Confident | 85.5 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 179.1 | 178.1 | -105 | 0 | 0 | 0 | 111.7 | I215 F216 N217 M221 V222 L223 L479 | I215-F219 WeakPolarHBondContact O-CB 3.45Å; I215-F219 PolarHBondContact O-N 3.16Å; F216-F219 PolarHBondContact O-N 2.85Å; N217-F219 VanDerWaalsContact C-N 3.34Å; N217-F219 PolarHBondContact O-N 3.48Å; F219-M221 VanDerWaalsContact C-N 3.31Å; F219-M221 PolarHBondContact O-N 3.04Å; F219-V222 PolarHBondContact O-N 3.22Å; F219-L223 HydrophobicContact CE1-CD1 4.42Å; F219-L223 WeakPolarHBondContact O-CB 3.46Å; F219-L223 PolarHBondContact O-N 3.31Å; F219-L479 HydrophobicContact CD2-CD2 4.34Å |
| 220 | M | 88.3 | Confident | 85.5 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 37% | 0.365 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 172.8 | -70.6 | -63.7 | 99.6 | 0 | 0 | 111.8 | F216 N217 L223 F224 | F216-M220 HydrophobicContact CD1-CG 4.09Å; F216-M220 HydrophobicContact CE1-CG 3.69Å; F216-M220 HydrophobicContact CE1-SD 4.32Å; F216-M220 HydrophobicContact CE2-CE 4.04Å; F216-M220 HydrophobicContact CE2-CG 4.36Å; F216-M220 HydrophobicContact CE2-SD 4.39Å; F216-M220 HydrophobicContact CZ-CE 4.16Å; F216-M220 HydrophobicContact CZ-CG 3.84Å; F216-M220 HydrophobicContact CZ-SD 3.91Å; F216-M220 VanDerWaalsContact O-CG 3.28Å; F216-M220 WeakPolarHBondContact O-CG 3.36Å; F216-M220 PolarHBondContact O-N 3.46Å; N217-M220 PolarHBondContact O-N 3.32Å; M220-L223 HydrophobicContact CE-CD1 4.36Å; M220-L223 PolarHBondContact O-N 2.9Å; M220-F224 WeakPolarHBondContact O-CB 3.48Å; M220-F224 PolarHBondContact O-N 3.28Å |
| 221 | M | 84.9 | Confident | 85.8 | Confident | 56 Ų | 56 | 63.8 Ų | 63.8 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.9 | -67.3 | -63.3 | -71.8 | 0 | 0 | 112.2 | N217 S218 F219 F224 L225 L445 | N217-M221 WeakPolarHBondContact O-CG 3.39Å; N217-M221 PolarHBondContact O-N 3.26Å; S218-M221 WeakPolarHBondContact O-CB 3.31Å; S218-M221 PolarHBondContact O-N 2.99Å; F219-M221 VanDerWaalsContact C-N 3.31Å; F219-M221 PolarHBondContact O-N 3.04Å; M221-F224 PolarHBondContact O-N 3.18Å; M221-L225 WeakPolarHBondContact O-CB 3.33Å; M221-L225 WeakPolarHBondContact O-CG 3.17Å; M221-L225 PolarHBondContact O-N 3.33Å; M221-L445 HydrophobicContact CE-CB 4.47Å; M221-L445 HydrophobicContact CE-CD2 3.73Å |
| 222 | V | 87.6 | Confident | 85.8 | Confident | 17 Ų | 17 | 65.2 Ų | 65.2 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 174 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | S218 F219 F224 L225 V226 L479 A482 V483 | S218-V222 WeakPolarHBondContact O-CG2 3.41Å; S218-V222 PolarHBondContact O-N 2.93Å; F219-V222 PolarHBondContact O-N 3.22Å; V222-F224 VanDerWaalsContact C-N 3.32Å; V222-F224 PolarHBondContact O-N 2.87Å; V222-L225 PolarHBondContact O-N 3.13Å; V222-V226 HydrophobicContact CG1-CG2 4.03Å; V222-V226 WeakPolarHBondContact O-CB 3.39Å; V222-V226 VanDerWaalsContact O-CG2 3.3Å; V222-V226 WeakPolarHBondContact O-CG2 3.37Å; V222-V226 PolarHBondContact O-N 3.3Å; V222-L479 HydrophobicContact CG2-CB 4.46Å; V222-L479 HydrophobicContact CG2-CD2 4.09Å; V222-A482 HydrophobicContact CG1-CB 4.01Å; V222-A482 HydrophobicContact CG2-CB 4.14Å; V222-V483 HydrophobicContact CB-CG2 4.43Å; V222-V483 HydrophobicContact CG2-CB 4.47Å; V222-V483 HydrophobicContact CG2-CG2 3.27Å |
| 223 | L | 89.6 | Confident | 85.3 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 49% | 0.492 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.9 | -46 | -178.6 | -172.7 | 153.1 | 0 | 0 | 0 | 111.1 | F219 M220 A227 | F219-L223 HydrophobicContact CE1-CD1 4.42Å; F219-L223 WeakPolarHBondContact O-CB 3.46Å; F219-L223 PolarHBondContact O-N 3.31Å; M220-L223 HydrophobicContact CE-CD1 4.36Å; M220-L223 PolarHBondContact O-N 2.9Å; L223-A227 WeakPolarHBondContact O-CB 3.37Å; L223-A227 PolarHBondContact O-N 3.34Å |
| 224 | F | 89.1 | Confident | 85.1 | Confident | 129 Ų | 129 | 59.8 Ų | 59.8 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.1 | -45.6 | 176.5 | 178.4 | -100.4 | 0 | 0 | 0 | 112.3 | M220 M221 V222 A227 L228 | M220-F224 WeakPolarHBondContact O-CB 3.48Å; M220-F224 PolarHBondContact O-N 3.28Å; M221-F224 PolarHBondContact O-N 3.18Å; V222-F224 VanDerWaalsContact C-N 3.32Å; V222-F224 PolarHBondContact O-N 2.87Å; F224-A227 PolarHBondContact O-N 2.85Å; F224-L228 WeakPolarHBondContact O-CB 3.31Å; F224-L228 PolarHBondContact O-N 3.44Å |
| 225 | L | 87.8 | Confident | 85 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.4 | -38.4 | -179.5 | -74.7 | 171.3 | 0 | 0 | 0 | 113.1 | M221 V222 A227 L228 V229 L445 V483 V487 | M221-L225 WeakPolarHBondContact O-CB 3.33Å; M221-L225 WeakPolarHBondContact O-CG 3.17Å; M221-L225 PolarHBondContact O-N 3.33Å; V222-L225 PolarHBondContact O-N 3.13Å; L225-A227 VanDerWaalsContact C-N 3.34Å; L225-L228 WeakPolarHBondContact O-CB 3.41Å; L225-L228 PolarHBondContact O-N 3.37Å; L225-V229 VanDerWaalsContact O-CG2 3.29Å; L225-V229 WeakPolarHBondContact O-CG2 3.4Å; L225-V229 PolarHBondContact O-N 3.15Å; L225-L445 HydrophobicContact CD1-CD1 4.33Å; L225-L445 HydrophobicContact CD2-CD1 3.9Å; L225-V483 HydrophobicContact CD1-CG1 3.72Å; L225-V487 HydrophobicContact CD1-CG2 3.63Å; L225-V487 HydrophobicContact CD2-CG2 4.13Å |
| 226 | V | 86.2 | Confident | 84.2 | Confident | 63 Ų | 63 | 68.6 Ų | 68.6 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 173.5 | 171.2 | 0 | 0 | 0 | 0 | 109.8 | V222 L228 V229 C230 | V222-V226 HydrophobicContact CG1-CG2 4.03Å; V222-V226 WeakPolarHBondContact O-CB 3.39Å; V222-V226 VanDerWaalsContact O-CG2 3.3Å; V222-V226 WeakPolarHBondContact O-CG2 3.37Å; V222-V226 PolarHBondContact O-N 3.3Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.01Å; V226-V229 PolarHBondContact O-N 2.96Å; V226-C230 VanDerWaalsContact O-CB 3.32Å; V226-C230 WeakPolarHBondContact O-CB 3.25Å; V226-C230 PolarHBondContact O-N 3.38Å; V226-C230 PolarHBondContact O-SG 3.38Å |
| 227 | A | 89.1 | Confident | 83.4 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L223 F224 L225 C230 M231 | L223-A227 WeakPolarHBondContact O-CB 3.37Å; L223-A227 PolarHBondContact O-N 3.34Å; F224-A227 PolarHBondContact O-N 2.85Å; L225-A227 VanDerWaalsContact C-N 3.34Å; A227-C230 PolarHBondContact O-N 3.38Å; A227-M231 VanDerWaalsContact O-CB 3.31Å; A227-M231 WeakPolarHBondContact O-CB 3.31Å; A227-M231 PolarHBondContact O-N 2.94Å |
| 228 | L | 85.6 | Confident | 83.1 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 174.7 | -172.9 | 101.6 | 0 | 0 | 0 | 111.9 | F224 L225 V226 C230 M231 I232 V490 | F224-L228 WeakPolarHBondContact O-CB 3.31Å; F224-L228 PolarHBondContact O-N 3.44Å; L225-L228 WeakPolarHBondContact O-CB 3.41Å; L225-L228 PolarHBondContact O-N 3.37Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.01Å; L228-C230 PolarHBondContact O-N 3.35Å; L228-M231 WeakPolarHBondContact O-CB 3.38Å; L228-M231 PolarHBondContact O-N 2.95Å; L228-I232 HydrophobicContact CD2-CD1 4.12Å; L228-I232 HydrophobicContact CG-CD1 4.17Å; L228-I232 VanDerWaalsContact O-CG1 3.31Å; L228-I232 WeakPolarHBondContact O-CG1 3.48Å; L228-I232 PolarHBondContact O-N 3.05Å; L228-V490 HydrophobicContact CD2-CG1 4.09Å; L228-V490 HydrophobicContact CD2-CG2 3.83Å |
| 229 | V | 82 | Confident | 82.4 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 13% | 0.127 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | L225 V226 M231 I232 L233 V489 V490 | L225-V229 VanDerWaalsContact O-CG2 3.29Å; L225-V229 WeakPolarHBondContact O-CG2 3.4Å; L225-V229 PolarHBondContact O-N 3.15Å; V226-V229 PolarHBondContact O-N 2.96Å; V229-M231 VanDerWaalsContact C-N 3.34Å; V229-M231 PolarHBondContact O-N 3.41Å; V229-I232 PolarHBondContact O-N 3.15Å; V229-L233 HydrophobicContact CG1-CD1 3.98Å; V229-L233 HydrophobicContact CG1-CG 4.45Å; V229-L233 WeakPolarHBondContact O-CB 3.31Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 2.87Å; V229-V489 HydrophobicContact CG1-CG1 4.4Å; V229-V490 HydrophobicContact CG2-CG2 3.52Å |
| 230 | C | 85 | Confident | 81.3 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 39% | 0.385 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 176 | -73.6 | 0 | 0 | 0 | 0 | 111.4 | V226 A227 L228 L233 M234 | V226-C230 VanDerWaalsContact O-CB 3.32Å; V226-C230 WeakPolarHBondContact O-CB 3.25Å; V226-C230 PolarHBondContact O-N 3.38Å; V226-C230 PolarHBondContact O-SG 3.38Å; A227-C230 PolarHBondContact O-N 3.38Å; L228-C230 PolarHBondContact O-N 3.35Å; C230-L233 PolarHBondContact O-N 3.05Å; C230-M234 HydrophobicContact CB-CE 4.45Å; C230-M234 VanDerWaalsContact O-CB 3.28Å; C230-M234 WeakPolarHBondContact O-CB 3.27Å; C230-M234 VanDerWaalsContact O-CG 3.24Å; C230-M234 WeakPolarHBondContact O-CG 3.35Å; C230-M234 PolarHBondContact O-N 2.96Å |
| 231 | M | 85.9 | Confident | 80.3 | Confident | 117 Ų | 117 | 77.9 Ų | 77.9 | 58% | 0.576 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 175.1 | 179.7 | -175.5 | 177 | 0 | 0 | 111.6 | A227 L228 V229 M234 R235 | A227-M231 VanDerWaalsContact O-CB 3.31Å; A227-M231 WeakPolarHBondContact O-CB 3.31Å; A227-M231 PolarHBondContact O-N 2.94Å; L228-M231 WeakPolarHBondContact O-CB 3.38Å; L228-M231 PolarHBondContact O-N 2.95Å; V229-M231 VanDerWaalsContact C-N 3.34Å; V229-M231 PolarHBondContact O-N 3.41Å; M231-M234 PolarHBondContact O-N 3.3Å; M231-R235 VanDerWaalsContact O-CB 3.23Å; M231-R235 WeakPolarHBondContact O-CB 3.4Å; M231-R235 PolarHBondContact O-N 2.97Å |
| 232 | I | 80.1 | Confident | 79.5 | Confident | 29 Ų | 29 | 78.2 Ų | 78.2 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61 | -51.1 | 176.7 | -70.8 | 165.7 | 0 | 0 | 0 | 110 | L228 V229 M234 R235 T236 V490 Y493 | L228-I232 HydrophobicContact CD2-CD1 4.12Å; L228-I232 HydrophobicContact CG-CD1 4.17Å; L228-I232 VanDerWaalsContact O-CG1 3.31Å; L228-I232 WeakPolarHBondContact O-CG1 3.48Å; L228-I232 PolarHBondContact O-N 3.05Å; V229-I232 PolarHBondContact O-N 3.15Å; I232-M234 PolarHBondContact O-N 2.82Å; I232-R235 PolarHBondContact O-N 3.44Å; I232-T236 PolarHBondContact O-N 3.3Å; I232-T236 PolarHBondContact O-OG1 3.34Å; I232-V490 HydrophobicContact CD1-CG1 4.26Å; I232-V490 HydrophobicContact CD1-CG2 4.14Å; I232-Y493 HydrophobicContact CG2-CD1 3.42Å; I232-Y493 VanDerWaalsContact CG2-CD1 3.42Å; I232-Y493 HydrophobicContact CG2-CD2 4.49Å; I232-Y493 HydrophobicContact CG2-CE1 3.29Å; I232-Y493 HydrophobicContact CG2-CE2 4.39Å; I232-Y493 HydrophobicContact CG2-CG 4.03Å |
| 233 | L | 75.8 | Confident | 78.4 | Confident | 61 Ų | 61 | 81 Ų | 81 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 177.9 | -75.5 | 172.7 | 0 | 0 | 0 | 111.9 | V229 C230 R235 T236 L237 F567 | V229-L233 HydrophobicContact CG1-CD1 3.98Å; V229-L233 HydrophobicContact CG1-CG 4.45Å; V229-L233 WeakPolarHBondContact O-CB 3.31Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 2.87Å; C230-L233 PolarHBondContact O-N 3.05Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.4Å; L233-T236 PolarHBondContact O-N 2.88Å; L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.14Å; L233-L237 PolarHBondContact O-N 3.5Å; L233-F567 HydrophobicContact CD2-CD2 4.26Å; L233-F567 HydrophobicContact CD2-CE2 3.7Å |
| 234 | M | 79.1 | Confident | 77.1 | Confident | 111 Ų | 111 | 80.1 Ų | 80.1 | 55% | 0.547 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -40.9 | 177.2 | -76.6 | -171 | -67.8 | 0 | 0 | 112 | C230 M231 I232 R238 | C230-M234 HydrophobicContact CB-CE 4.45Å; C230-M234 VanDerWaalsContact O-CB 3.28Å; C230-M234 WeakPolarHBondContact O-CB 3.27Å; C230-M234 VanDerWaalsContact O-CG 3.24Å; C230-M234 WeakPolarHBondContact O-CG 3.35Å; C230-M234 PolarHBondContact O-N 2.96Å; M231-M234 PolarHBondContact O-N 3.3Å; I232-M234 PolarHBondContact O-N 2.82Å; M234-R238 WeakPolarHBondContact O-CB 3.39Å; M234-R238 PolarHBondContact O-N 2.69Å |
| 235 | R | 79 | Confident | 75.9 | Confident | 185 Ų | 185 | 79.9 Ų | 79.9 | 70% | 0.698 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 176.7 | -177.6 | 179.3 | 177.6 | 178.9 | 0.1 | 111 | M231 I232 L233 R239 | M231-R235 VanDerWaalsContact O-CB 3.23Å; M231-R235 WeakPolarHBondContact O-CB 3.4Å; M231-R235 PolarHBondContact O-N 2.97Å; I232-R235 PolarHBondContact O-N 3.44Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.4Å; R235-R239 WeakPolarHBondContact O-CB 3.28Å; R235-R239 PolarHBondContact O-N 3.3Å |
| 236 | T | 70.1 | Confident | 74.7 | Confident | 15 Ų | 15 | 86.3 Ų | 86.3 | 9% | 0.092 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.1 | -48.8 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 111 | I232 L233 R238 R239 D240 W263 Y493 | I232-T236 PolarHBondContact O-N 3.3Å; I232-T236 PolarHBondContact O-OG1 3.34Å; L233-T236 PolarHBondContact O-N 2.88Å; T236-R238 PolarHBondContact O-N 3.07Å; T236-R239 PolarHBondContact O-N 3.09Å; T236-D240 WeakPolarHBondContact O-CB 3.31Å; T236-D240 PolarHBondContact O-N 3.14Å; T236-W263 HydrophobicContact CG2-CZ2 3.72Å; T236-Y493 PolarHBondContact OG1-OH 2.78Å |
| 237 | L | 71.2 | Confident | 73.2 | Confident | 74 Ų | 74 | 86.2 Ų | 86.2 | 39% | 0.387 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 177.6 | -70.3 | 172.3 | 0 | 0 | 0 | 111.9 | L233 D240 Y241 I574 | L233-L237 WeakPolarHBondContact O-CB 3.41Å; L233-L237 VanDerWaalsContact O-CG 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.14Å; L233-L237 PolarHBondContact O-N 3.5Å; L237-D240 PolarHBondContact O-N 3.5Å; L237-Y241 VanDerWaalsContact O-CD2 3.27Å; L237-Y241 WeakPolarHBondContact O-CD2 3.19Å; L237-Y241 PolarHBondContact O-N 3.43Å; L237-I574 HydrophobicContact CD2-CD1 4.34Å |
| 238 | R | 77.3 | Confident | 71.7 | Confident | 186 Ų | 186 | 90.7 Ų | 90.7 | 70% | 0.702 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 178.7 | -171.7 | -173.8 | -62.3 | -165.2 | -0.3 | 111.9 | M234 T236 D240 Y241 A242 | M234-R238 WeakPolarHBondContact O-CB 3.39Å; M234-R238 PolarHBondContact O-N 2.69Å; T236-R238 PolarHBondContact O-N 3.07Å; R238-D240 VanDerWaalsContact C-N 3.26Å; R238-D240 PolarHBondContact O-N 3.28Å; R238-Y241 PolarHBondContact O-N 3.16Å; R238-A242 WeakPolarHBondContact O-CB 3.45Å; R238-A242 PolarHBondContact O-N 3.28Å |
| 239 | R | 68.9 | Low | 70.5 | Confident | 120 Ų | 120 | 91.1 Ų | 91.1 | 45% | 0.453 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.1 | -37.8 | 176.8 | -167.6 | 177.5 | 89 | 165.6 | 5.6 | 111.1 | R235 T236 R243 Y261 | R235-R239 WeakPolarHBondContact O-CB 3.28Å; R235-R239 PolarHBondContact O-N 3.3Å; T236-R239 PolarHBondContact O-N 3.09Å; R239-R243 WeakPolarHBondContact O-CB 3.29Å; R239-R243 PolarHBondContact O-N 3.29Å; R239-Y261 PolarHBondContact NH2-O 2.62Å |
| 240 | D | 64.5 | Low | 69.3 | Low | 12 Ų | 12 | 93.4 Ų | 93.4 | 6% | 0.064 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -72.3 | -46 | 178.6 | -74.1 | -3.8 | 0 | 0 | 0 | 112.2 | T236 L237 R238 A242 R243 Y244 K264 | T236-D240 WeakPolarHBondContact O-CB 3.31Å; T236-D240 PolarHBondContact O-N 3.14Å; L237-D240 PolarHBondContact O-N 3.5Å; R238-D240 VanDerWaalsContact C-N 3.26Å; R238-D240 PolarHBondContact O-N 3.28Å; D240-A242 VanDerWaalsContact C-N 3.34Å; D240-A242 PolarHBondContact O-N 2.87Å; D240-R243 PolarHBondContact O-N 3.45Å; D240-R243 VanDerWaalsContact O-N 3.13Å; D240-Y244 VanDerWaalsContact O-CD2 3.3Å; D240-Y244 WeakPolarHBondContact O-CD2 3.03Å; D240-Y244 PolarHBondContact O-N 3.33Å; D240-K264 IonicContact OD1-NZ 3.89Å; D240-K264 PolarHBondContact OD1-NZ 3.46Å; D240-K264 WeakPolarHBondContact OD2-CE 3.22Å; D240-K264 IonicContact OD2-NZ 2.81Å; D240-K264 PolarHBondContact OD2-NZ 3.02Å |
| 241 | Y | 67.2 | Low | 67.9 | Low | 169 Ų | 169 | 94.2 Ų | 94.2 | 66% | 0.663 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -57.8 | -44.7 | 173.6 | -89.4 | -69.3 | 0 | 0 | 0 | 112.5 | L237 R238 R243 Y244 N245 | L237-Y241 VanDerWaalsContact O-CD2 3.27Å; L237-Y241 WeakPolarHBondContact O-CD2 3.19Å; L237-Y241 PolarHBondContact O-N 3.43Å; R238-Y241 PolarHBondContact O-N 3.16Å; Y241-R243 VanDerWaalsContact C-N 3.25Å; Y241-R243 PolarHBondContact O-N 3.18Å; Y241-Y244 PolarHBondContact O-N 3.45Å; Y241-N245 PolarHBondContact O-N 2.93Å; Y241-N245 VanDerWaalsContact O-N 3.15Å |
| 242 | A | 69 | Low | 66.7 | Low | 63 Ų | 63 | 95 Ų | 95 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.6 | -30.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R238 D240 K246 | R238-A242 WeakPolarHBondContact O-CB 3.45Å; R238-A242 PolarHBondContact O-N 3.28Å; D240-A242 VanDerWaalsContact C-N 3.34Å; D240-A242 PolarHBondContact O-N 2.87Å; A242-K246 PolarHBondContact O-N 3.34Å |
| 243 | R | 64 | Low | 65.4 | Low | 74 Ų | 74 | 98.9 Ų | 98.9 | 28% | 0.279 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.6 | -45.6 | 176.5 | -174.2 | -176.1 | -85.5 | -147 | -6 | 111.8 | R239 D240 Y241 N245 K246 E247 G258 | R239-R243 WeakPolarHBondContact O-CB 3.29Å; R239-R243 PolarHBondContact O-N 3.29Å; D240-R243 PolarHBondContact O-N 3.45Å; D240-R243 VanDerWaalsContact O-N 3.13Å; Y241-R243 VanDerWaalsContact C-N 3.25Å; Y241-R243 PolarHBondContact O-N 3.18Å; R243-N245 VanDerWaalsContact C-N 3.34Å; R243-N245 PolarHBondContact O-N 3.39Å; R243-K246 CarbonylContact O-C 3.57Å; R243-K246 WeakPolarHBondContact O-CA 3.44Å; R243-K246 WeakPolarHBondContact O-CB 3.32Å; R243-K246 PolarHBondContact O-N 3.18Å; R243-E247 WeakPolarHBondContact CD-OE1 3.35Å; R243-E247 HydrophobicContact CG-CG 4.45Å; R243-E247 WeakPolarHBondContact CG-OE1 3.31Å; R243-E247 PolarHBondContact O-N 2.92Å; R243-G258 PolarHBondContact NH1-O 3.36Å |
| 244 | Y | 61.5 | Low | 64.4 | Low | 77 Ų | 77 | 99.8 Ų | 99.8 | 30% | 0.302 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 177 | -81.2 | -64.4 | 0 | 0 | 0 | 112.5 | D240 Y241 K246 E247 D248 | D240-Y244 VanDerWaalsContact O-CD2 3.3Å; D240-Y244 WeakPolarHBondContact O-CD2 3.03Å; D240-Y244 PolarHBondContact O-N 3.33Å; Y241-Y244 PolarHBondContact O-N 3.45Å; Y244-K246 PolarHBondContact O-N 2.99Å; Y244-K246 VanDerWaalsContact O-N 3.15Å; Y244-E247 PolarHBondContact O-N 2.96Å; Y244-E247 VanDerWaalsContact O-N 3.17Å; Y244-D248 PolarHBondContact O-N 3.34Å; Y244-D248 VanDerWaalsContact O-N 3.09Å |
| 245 | N | 65.6 | Low | 63.2 | Low | 124 Ų | 124 | 102.5 Ų | 102.5 | 66% | 0.663 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -22.1 | 174.1 | -75.6 | 4.5 | 0 | 0 | 0 | 113.2 | Y241 R243 | Y241-N245 PolarHBondContact O-N 2.93Å; Y241-N245 VanDerWaalsContact O-N 3.15Å; R243-N245 VanDerWaalsContact C-N 3.34Å; R243-N245 PolarHBondContact O-N 3.39Å |
| 246 | K | 61.3 | Low | 61.9 | Low | 142 Ų | 142 | 101.6 Ų | 101.6 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -86.6 | -36.1 | 176.3 | -163.2 | 179.2 | -178.8 | -172 | 0 | 111.6 | A242 R243 Y244 G249 L250 | A242-K246 PolarHBondContact O-N 3.34Å; R243-K246 CarbonylContact O-C 3.57Å; R243-K246 WeakPolarHBondContact O-CA 3.44Å; R243-K246 WeakPolarHBondContact O-CB 3.32Å; R243-K246 PolarHBondContact O-N 3.18Å; Y244-K246 PolarHBondContact O-N 2.99Å; Y244-K246 VanDerWaalsContact O-N 3.15Å; K246-G249 PolarHBondContact O-N 3.14Å; K246-L250 HydrophobicContact CG-CD1 4.25Å; K246-L250 PolarHBondContact O-N 3.39Å |
| 247 | E | 54.5 | Low | 60.8 | Low | 62 Ų | 62 | 106.7 Ų | 106.7 | 29% | 0.29 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.2 | -33.1 | 176.8 | -77.2 | 173.2 | -164.9 | 0 | 0 | 112.7 | R243 Y244 G249 L250 | R243-E247 WeakPolarHBondContact CD-OE1 3.35Å; R243-E247 HydrophobicContact CG-CG 4.45Å; R243-E247 WeakPolarHBondContact CG-OE1 3.31Å; R243-E247 PolarHBondContact O-N 2.92Å; Y244-E247 PolarHBondContact O-N 2.96Å; Y244-E247 VanDerWaalsContact O-N 3.17Å; E247-G249 PolarHBondContact O-N 3.01Å; E247-L250 PolarHBondContact O-N 2.94Å |
| 248 | D | 58 | Low | 59.9 | Low | 147 Ų | 147 | 104.7 Ų | 104.7 | 79% | 0.786 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -15.8 | 171.5 | -75.5 | -20.3 | 0 | 0 | 0 | 113 | Y244 | Y244-D248 PolarHBondContact O-N 3.34Å; Y244-D248 VanDerWaalsContact O-N 3.09Å |
| 249 | G | 60.8 | Low | 58.7 | Low | 67 Ų | 67 | 100.2 Ų | 100.2 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -0.4 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | K246 E247 | K246-G249 PolarHBondContact O-N 3.14Å; E247-G249 PolarHBondContact O-N 3.01Å |
| 250 | L | 56.3 | Low | 58.1 | Low | 70 Ų | 70 | 97.5 Ų | 97.5 | 37% | 0.366 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -108 | 146.6 | -173.6 | -110.2 | 65.8 | 0 | 0 | 0 | 112.2 | K246 E247 D254 | K246-L250 HydrophobicContact CG-CD1 4.25Å; K246-L250 PolarHBondContact O-N 3.39Å; E247-L250 PolarHBondContact O-N 2.94Å; L250-D254 HydrophobicContact CB-CB 4.15Å; L250-D254 HydrophobicContact CD2-CB 3.33Å; L250-D254 HydrophobicContact CG-CB 3.79Å |
| 251 | S | 56.7 | Low | 58.2 | Low | 74 Ų | 74 | 104 Ų | 104 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | trans | -68.4 | 153.8 | 176.4 | 74.4 | 0 | 0 | 0 | 0 | 111.9 | L253 D254 R255 | S251-L253 PolarHBondContact O-N 3.5Å; S251-D254 PolarHBondContact O-N 3.43Å; S251-R255 PolarHBondContact O-N 3.07Å | ||
| 252 | D | 59.7 | Low | 58.7 | Low | 132 Ų | 132 | 96.4 Ų | 96.4 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -49.4 | -30.9 | -175.7 | -73.6 | -33 | 0 | 0 | 0 | 114.2 | R255 E256 | D252-R255 VanDerWaalsContact O-CB 3.28Å; D252-R255 WeakPolarHBondContact O-CB 3.35Å; D252-R255 PolarHBondContact O-N 3.14Å; D252-E256 PolarHBondContact O-N 3.48Å |
| 253 | L | 53.3 | Low | 59.4 | Low | 112 Ų | 112 | 93.5 Ų | 93.5 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.6 | -37.6 | 179.2 | -171.9 | 67 | 0 | 0 | 0 | 113.2 | S251 R255 E256 L257 | S251-L253 PolarHBondContact O-N 3.5Å; L253-R255 PolarHBondContact O-N 3.19Å; L253-E256 PolarHBondContact O-N 2.91Å; L253-L257 HydrophobicContact CG-CD1 4.31Å; L253-L257 PolarHBondContact O-N 2.96Å |
| 254 | D | 54.8 | Low | 60.3 | Low | 79 Ų | 79 | 90.8 Ų | 90.8 | 42% | 0.422 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.7 | -18.7 | 176.1 | -68.3 | -43.4 | 0 | 0 | 0 | 111.8 | L250 S251 G258 | L250-D254 HydrophobicContact CB-CB 4.15Å; L250-D254 HydrophobicContact CD2-CB 3.33Å; L250-D254 HydrophobicContact CG-CB 3.79Å; S251-D254 PolarHBondContact O-N 3.43Å; D254-G258 PolarHBondContact O-N 3.06Å |
| 255 | R | 53.6 | Low | 61.4 | Low | 168 Ų | 168 | 89.8 Ų | 89.8 | 63% | 0.634 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -72.1 | -34.2 | 175.8 | -146.1 | 172 | 84.7 | 155.8 | 4.7 | 112.1 | S251 D252 L253 | S251-R255 PolarHBondContact O-N 3.07Å; D252-R255 VanDerWaalsContact O-CB 3.28Å; D252-R255 WeakPolarHBondContact O-CB 3.35Å; D252-R255 PolarHBondContact O-N 3.14Å; L253-R255 PolarHBondContact O-N 3.19Å |
| 256 | E | 50.7 | Low | 62.5 | Low | 166 Ų | 166 | 84 Ų | 84 | 78% | 0.776 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -78.9 | -34.4 | 175.3 | -80 | -173.3 | 156.6 | 0 | 0 | 113.3 | D252 L253 G258 | D252-E256 PolarHBondContact O-N 3.48Å; L253-E256 PolarHBondContact O-N 2.91Å; E256-G258 VanDerWaalsContact C-N 3.34Å |
| 257 | L | 48.4 | Very low | 63.7 | Low | 122 Ų | 122 | 79.1 Ų | 79.1 | 64% | 0.639 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -81 | -10.5 | -179 | -81.7 | 154.2 | 0 | 0 | 0 | 114.2 | L253 D259 | L253-L257 HydrophobicContact CG-CD1 4.31Å; L253-L257 PolarHBondContact O-N 2.96Å; L257-D259 PolarHBondContact O-N 3.29Å |
| 258 | G | 52.1 | Low | 65.3 | Low | 33 Ų | 33 | 76.2 Ų | 76.2 | 34% | 0.34 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -73.5 | 50.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R243 D254 E256 E260 | R243-G258 PolarHBondContact NH1-O 3.36Å; D254-G258 PolarHBondContact O-N 3.06Å; E256-G258 VanDerWaalsContact C-N 3.34Å; G258-E260 PolarHBondContact O-N 3.31Å; G258-E260 VanDerWaalsContact O-N 3.14Å |
| 259 | D | 51.2 | Low | 66.8 | Low | 91 Ų | 91 | 69.4 Ų | 69.4 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | trans | -22.5 | 111.9 | 178.3 | -81.7 | -23.5 | 0 | 0 | 0 | 111.7 | L257 Y261 | L257-D259 PolarHBondContact O-N 3.29Å; D259-Y261 HydrophobicContact CB-CD2 4.32Å; D259-Y261 HydrophobicContact CB-CE2 3.82Å; D259-Y261 WeakPolarHBondContact O-CD2 3.43Å; D259-Y261 PolarHBondContact O-N 3.44Å | ||
| 260 | E | 56.7 | Low | 68.3 | Low | 64 Ų | 64 | 66.2 Ų | 66.2 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | trans | -60.5 | 100.5 | 171.4 | -65.9 | -167.9 | 144.5 | 0 | 0 | 107.7 | G258 K264 Q265 | G258-E260 PolarHBondContact O-N 3.31Å; G258-E260 VanDerWaalsContact O-N 3.14Å; E260-K264 HydrophobicContact CB-CB 4Å; E260-K264 HydrophobicContact CG-CB 4.45Å; E260-Q265 HydrophobicContact CB-CG 4.22Å; E260-Q265 WeakPolarHBondContact O-CG 3.35Å; E260-Q265 PolarHBondContact O-NE2 2.89Å | ||
| 261 | Y | 66 | Low | 70.1 | Confident | 148 Ų | 148 | 63.4 Ų | 63.4 | 58% | 0.58 | 32% | 0.319 | S | S | * | . | trans | -82.6 | 134.3 | 178.1 | -72.7 | -80.8 | 0 | 0 | 0 | 112.2 | R239 D259 | R239-Y261 PolarHBondContact NH2-O 2.62Å; D259-Y261 HydrophobicContact CB-CD2 4.32Å; D259-Y261 HydrophobicContact CB-CE2 3.82Å; D259-Y261 WeakPolarHBondContact O-CD2 3.43Å; D259-Y261 PolarHBondContact O-N 3.44Å | ||
| 262 | G | 77.7 | Confident | 71.7 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 9% | 0.093 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 85.5 | -131 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114 | K264 Q265 | G262-K264 PolarHBondContact O-N 2.99Å; G262-K264 VanDerWaalsContact O-N 3.07Å; G262-Q265 PolarHBondContact O-N 3.3Å; G262-Q265 VanDerWaalsContact O-N 3.16Å |
| 263 | W | 83.7 | Confident | 73.3 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.011 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -57.7 | -27.6 | -170.5 | 66.8 | -88.2 | 0 | 0 | 0 | 114.9 | T236 Q265 V266 Y493 L496 N497 I571 Y572 V575 | T236-W263 HydrophobicContact CG2-CZ2 3.72Å; W263-Q265 VanDerWaalsContact C-N 3.32Å; W263-Q265 PolarHBondContact O-N 3.3Å; W263-V266 WeakPolarHBondContact O-CG2 3.49Å; W263-V266 PolarHBondContact O-N 2.98Å; W263-Y493 AromaticContact CD1-CE2 3.93Å; W263-L496 WeakPolarHBondContact CA-O 3.4Å; W263-L496 HydrophobicContact CB-CB 3.7Å; W263-L496 PolarHBondContact N-O 3Å; W263-N497 VanDerWaalsContact CD1-OD1 3.28Å; W263-I571 HydrophobicContact CD2-CD1 4.47Å; W263-I571 HydrophobicContact CE3-CD1 3.93Å; W263-I571 HydrophobicContact CE3-CG1 4.39Å; W263-I571 HydrophobicContact CH2-CB 4.12Å; W263-I571 HydrophobicContact CZ3-CB 4.01Å; W263-I571 HydrophobicContact CZ3-CD1 4.12Å; W263-I571 HydrophobicContact CZ3-CG1 4.08Å; W263-Y572 HydrophobicContact CE3-CD1 4.47Å; W263-Y572 AromaticContact CE3-CE1 3.81Å; W263-Y572 HydrophobicContact CE3-CE1 3.81Å; W263-Y572 HydrophobicContact CE3-CE2 4.38Å; W263-Y572 AromaticContact CE3-CZ 3.75Å; W263-Y572 HydrophobicContact CZ3-CD1 4.17Å; W263-Y572 AromaticContact CZ3-CE1 3.95Å; W263-Y572 HydrophobicContact CZ3-CE1 3.95Å; W263-Y572 PolarHBondContact O-OH 3.4Å; W263-V575 HydrophobicContact CH2-CG2 3.62Å; W263-V575 HydrophobicContact CZ3-CG2 3.59Å |
| 264 | K | 83.7 | Confident | 75.2 | Confident | 16 Ų | 16 | 54.3 Ų | 54.3 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -65.3 | -32.2 | -179.9 | -69.8 | -175.8 | 173 | -175.4 | 0 | 113.4 | D240 E260 G262 V266 H267 V575 | D240-K264 IonicContact OD1-NZ 3.89Å; D240-K264 PolarHBondContact OD1-NZ 3.46Å; D240-K264 WeakPolarHBondContact OD2-CE 3.22Å; D240-K264 IonicContact OD2-NZ 2.81Å; D240-K264 PolarHBondContact OD2-NZ 3.02Å; E260-K264 HydrophobicContact CB-CB 4Å; E260-K264 HydrophobicContact CG-CB 4.45Å; G262-K264 PolarHBondContact O-N 2.99Å; G262-K264 VanDerWaalsContact O-N 3.07Å; K264-V266 PolarHBondContact O-N 3.5Å; K264-V266 VanDerWaalsContact O-N 3.08Å; K264-H267 WeakPolarHBondContact O-CB 3.39Å; K264-H267 PolarHBondContact O-N 2.9Å; K264-H267 VanDerWaalsContact O-N 3.12Å; K264-H267 PolarHBondContact O-ND1 3.44Å; K264-V575 HydrophobicContact CG-CG2 4.37Å |
| 265 | Q | 84.2 | Confident | 76.9 | Confident | 57 Ų | 57 | 55 Ų | 55 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -64.1 | -19.7 | -179.1 | -59.5 | -160.7 | -11.2 | 0 | 0 | 114 | E260 G262 W263 E499 | E260-Q265 HydrophobicContact CB-CG 4.22Å; E260-Q265 WeakPolarHBondContact O-CG 3.35Å; E260-Q265 PolarHBondContact O-NE2 2.89Å; G262-Q265 PolarHBondContact O-N 3.3Å; G262-Q265 VanDerWaalsContact O-N 3.16Å; W263-Q265 VanDerWaalsContact C-N 3.32Å; W263-Q265 PolarHBondContact O-N 3.3Å; Q265-E499 VanDerWaalsContact OE1-CD 3.24Å; Q265-E499 PolarHBondContact OE1-OE1 3.46Å; Q265-E499 PolarHBondContact OE1-OE2 3.2Å |
| 266 | V | 88.3 | Confident | 78.9 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -97.9 | 10.4 | -178.6 | -65.8 | 0 | 0 | 0 | 0 | 113.1 | W263 K264 G268 D269 V270 L496 E499 Y572 | W263-V266 WeakPolarHBondContact O-CG2 3.49Å; W263-V266 PolarHBondContact O-N 2.98Å; K264-V266 PolarHBondContact O-N 3.5Å; K264-V266 VanDerWaalsContact O-N 3.08Å; V266-G268 PolarHBondContact O-N 3Å; V266-G268 VanDerWaalsContact O-N 3.09Å; V266-D269 PolarHBondContact O-N 2.77Å; V266-V270 HydrophobicContact CB-CG2 3.97Å; V266-V270 HydrophobicContact CG2-CG2 3.63Å; V266-V270 WeakPolarHBondContact O-CG2 3.5Å; V266-V270 PolarHBondContact O-N 3.26Å; V266-L496 HydrophobicContact CG2-CD2 4.09Å; V266-E499 HydrophobicContact CG1-CB 4.1Å; V266-E499 WeakPolarHBondContact CG1-O 3.36Å; V266-Y572 WeakPolarHBondContact CG2-OH 3.17Å |
| 267 | H | 87.3 | Confident | 81 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 19% | 0.19 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -37.5 | 179.7 | 70.9 | -89.3 | 0 | 0 | 0 | 113 | K264 D269 Y572 | K264-H267 WeakPolarHBondContact O-CB 3.39Å; K264-H267 PolarHBondContact O-N 2.9Å; K264-H267 VanDerWaalsContact O-N 3.12Å; K264-H267 PolarHBondContact O-ND1 3.44Å; H267-D269 VanDerWaalsContact C-N 3.34Å; H267-D269 PolarHBondContact O-N 2.76Å; H267-Y572 VanDerWaalsContact CA-CE1 3.45Å; H267-Y572 HydrophobicContact CB-CD1 3.72Å; H267-Y572 HydrophobicContact CB-CE1 3.65Å |
| 268 | G | 87.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -13.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V266 V419 N420 | V266-G268 PolarHBondContact O-N 3Å; V266-G268 VanDerWaalsContact O-N 3.09Å; G268-V419 CarbonylContact O-C 3.56Å; G268-V419 VanDerWaalsContact O-CA 3.26Å; G268-V419 WeakPolarHBondContact O-CA 3.43Å; G268-N420 PolarHBondContact O-N 2.72Å |
| 269 | D | 91.2 | Very high | 85.3 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -16.2 | -175.5 | -79.8 | -52.2 | 0 | 0 | 0 | 114.3 | V266 H267 F271 R272 P423 K424 Y501 | V266-D269 PolarHBondContact O-N 2.77Å; H267-D269 VanDerWaalsContact C-N 3.34Å; H267-D269 PolarHBondContact O-N 2.76Å; D269-F271 VanDerWaalsContact C-N 3.28Å; D269-F271 PolarHBondContact O-N 2.87Å; D269-R272 WeakPolarHBondContact O-CB 3.33Å; D269-R272 PolarHBondContact O-N 3.44Å; D269-R272 IonicContact OD1-CZ 3.95Å; D269-R272 IonicContact OD1-NE 3.65Å; D269-R272 PolarHBondContact OD1-NE 3.25Å; D269-R272 IonicContact OD1-NH2 3.6Å; D269-R272 PolarHBondContact OD1-NH2 2.68Å; D269-P423 WeakPolarHBondContact OD1-CA 3.23Å; D269-K424 WeakPolarHBondContact OD2-CB 3.38Å; D269-K424 PolarHBondContact OD2-N 3.38Å; D269-Y501 HydrophobicContact CB-CD1 3.86Å; D269-Y501 HydrophobicContact CB-CD2 4.06Å; D269-Y501 HydrophobicContact CB-CE1 4.4Å; D269-Y501 HydrophobicContact CB-CG 3.67Å |
| 270 | V | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.7 | -175.4 | 166 | 0 | 0 | 0 | 0 | 114 | V266 R272 L496 W503 Q504 V568 Y572 | V266-V270 HydrophobicContact CB-CG2 3.97Å; V266-V270 HydrophobicContact CG2-CG2 3.63Å; V266-V270 WeakPolarHBondContact O-CG2 3.5Å; V266-V270 PolarHBondContact O-N 3.26Å; V270-R272 VanDerWaalsContact C-N 3.35Å; V270-L496 HydrophobicContact CG2-CD2 3.93Å; V270-W503 PolarHBondContact O-NE1 2.84Å; V270-Q504 PolarHBondContact O-NE2 2.69Å; V270-Q504 VanDerWaalsContact O-NE2 3.11Å; V270-V568 HydrophobicContact CG1-CG1 3.22Å; V270-Y572 HydrophobicContact CB-CE2 4.02Å; V270-Y572 HydrophobicContact CG1-CD2 3.9Å; V270-Y572 HydrophobicContact CG1-CE2 3.55Å; V270-Y572 HydrophobicContact CG2-CE1 4.33Å; V270-Y572 HydrophobicContact CG2-CE2 3.71Å; V270-Y572 VanDerWaalsContact CG2-OH 3.25Å; V270-Y572 WeakPolarHBondContact CG2-OH 3.28Å |
| 271 | F | 93 | Very high | 89.5 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 9.2 | 179.8 | -61.9 | -67.1 | 0 | 0 | 0 | 113.6 | D269 F415 P416 C417 V419 V568 R569 Y572 | D269-F271 VanDerWaalsContact C-N 3.28Å; D269-F271 PolarHBondContact O-N 2.87Å; F271-F415 HydrophobicContact CB-CB 4.35Å; F271-F415 HydrophobicContact CB-CD1 3.68Å; F271-F415 HydrophobicContact CB-CD2 4.34Å; F271-F415 HydrophobicContact CB-CE1 3.96Å; F271-F415 HydrophobicContact CB-CG 3.89Å; F271-F415 HydrophobicContact CB-CZ 4.4Å; F271-F415 AromaticContact CD1-CD1 3.51Å; F271-F415 HydrophobicContact CD1-CD1 3.51Å; F271-F415 AromaticContact CD1-CE1 3.96Å; F271-F415 HydrophobicContact CD1-CE1 3.96Å; F271-F415 HydrophobicContact CD1-CG 4.35Å; F271-F415 HydrophobicContact CD2-CB 4.36Å; F271-F415 HydrophobicContact CE1-CD1 4.35Å; F271-F415 HydrophobicContact CG-CB 4.19Å; F271-F415 AromaticContact CG-CD1 3.65Å; F271-F415 HydrophobicContact CG-CD1 3.65Å; F271-F415 HydrophobicContact CG-CE1 4.26Å; F271-F415 HydrophobicContact CG-CG 4.06Å; F271-P416 HydrophobicContact CD2-CG 4.42Å; F271-P416 HydrophobicContact CE1-CG 4.36Å; F271-P416 HydrophobicContact CE2-CG 3.43Å; F271-P416 VanDerWaalsContact CE2-CG 3.43Å; F271-P416 VanDerWaalsContact CZ-CD 3.45Å; F271-P416 HydrophobicContact CZ-CG 3.39Å; F271-C417 HydrophobicContact CD2-CB 4.41Å; F271-C417 HydrophobicContact CE2-CB 4.36Å; F271-V419 HydrophobicContact CB-CG2 3.88Å; F271-V568 HydrophobicContact CE1-CG1 3.95Å; F271-V568 HydrophobicContact CZ-CG1 4.04Å; F271-R569 HydrophobicContact CE1-CG 3.79Å; F271-R569 HydrophobicContact CZ-CG 4.29Å; F271-Y572 HydrophobicContact CE2-CD2 4.26Å; F271-Y572 HydrophobicContact CE2-CG 4.16Å; F271-Y572 HydrophobicContact CZ-CD2 4.14Å; F271-Y572 HydrophobicContact CZ-CG 4.36Å |
| 272 | R | 92 | Very high | 91 | Very high | 68 Ų | 68 | 28.6 Ų | 28.6 | 26% | 0.257 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -59.6 | 144.6 | 173.6 | -170.6 | 177.9 | -70.6 | -104.9 | -2.9 | 110.2 | D269 V270 V419 N420 P421 P423 Q504 | D269-R272 WeakPolarHBondContact O-CB 3.33Å; D269-R272 PolarHBondContact O-N 3.44Å; D269-R272 IonicContact OD1-CZ 3.95Å; D269-R272 IonicContact OD1-NE 3.65Å; D269-R272 PolarHBondContact OD1-NE 3.25Å; D269-R272 IonicContact OD1-NH2 3.6Å; D269-R272 PolarHBondContact OD1-NH2 2.68Å; V270-R272 VanDerWaalsContact C-N 3.35Å; R272-V419 HydrophobicContact CB-CG1 4.3Å; R272-N420 PolarHBondContact NH2-O 3.19Å; R272-P421 PolarHBondContact NH1-O 3.09Å; R272-P421 PolarHBondContact NH2-O 3.06Å; R272-P423 VanDerWaalsContact NH2-N 3.17Å; R272-Q504 PolarHBondContact O-NE2 3.33Å |
| 273 | S | 91.7 | Very high | 92 | Very high | 49 Ų | 49 | 29.3 Ų | 29.3 | 34% | 0.343 | 16% | 0.155 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 128.9 | 176.2 | -67.1 | 0 | 0 | 0 | 0 | 110 | M339 | S273-M339 PolarHBondContact OG-O 3.36Š|
| 274 | P | 93.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 7% | 0.071 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 157.9 | 179.3 | 28.3 | -33.6 | 0 | 0 | 0 | 111.4 | S277 L280 M339 Q504 | P274-S277 PolarHBondContact O-N 3.22Å; P274-L280 HydrophobicContact CB-CD2 4.33Å; P274-L280 HydrophobicContact CG-CD2 3.72Å; P274-M339 HydrophobicContact CG-CE 4.11Å; P274-M339 HydrophobicContact CG-SD 3.96Å; P274-Q504 HydrophobicContact CB-CB 3.94Å; P274-Q504 HydrophobicContact CB-CG 4.25Å; P274-Q504 HydrophobicContact CG-CB 4.11Å; P274-Q504 HydrophobicContact CG-CG 4.2Å |
| 275 | P | 91.9 | Very high | 93.4 | Very high | 92 Ų | 92 | 28.4 Ų | 28.4 | 60% | 0.597 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 145.8 | 168.9 | 26.7 | -34.3 | 0 | 0 | 0 | 109.6 | S277 W505 | P275-S277 VanDerWaalsContact C-N 3.29Å; P275-S277 PolarHBondContact O-N 3.45Å; P275-W505 PolarHBondContact O-NE1 2.89Å |
| 276 | H | 94.5 | Very high | 94 | Very high | 143 Ų | 143 | 25.8 Ų | 25.8 | 66% | 0.662 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 42.7 | -179.3 | -54.2 | -65.5 | 0 | 0 | 0 | 114.6 | S278 L279 L280 W505 | H276-S278 PolarHBondContact O-N 3.02Å; H276-S278 VanDerWaalsContact O-N 3.07Å; H276-L279 HydrophobicContact CB-CB 4.3Å; H276-L279 WeakPolarHBondContact O-CB 3.29Å; H276-L279 PolarHBondContact O-N 2.99Å; H276-L280 PolarHBondContact O-N 3.11Å; H276-W505 HydrophobicContact CB-CZ2 4.21Å |
| 277 | S | 94.4 | Very high | 94.5 | Very high | 22 Ų | 22 | 25.8 Ų | 25.8 | 15% | 0.154 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -53.7 | -29.7 | -178.9 | 58.5 | 0 | 0 | 0 | 0 | 114.8 | P274 P275 A281 | P274-S277 PolarHBondContact O-N 3.22Å; P275-S277 VanDerWaalsContact C-N 3.29Å; P275-S277 PolarHBondContact O-N 3.45Å; S277-A281 VanDerWaalsContact O-CB 3.26Å; S277-A281 WeakPolarHBondContact O-CB 3.5Å; S277-A281 PolarHBondContact O-N 3.41Å |
| 278 | S | 95.6 | Very high | 95 | Very high | 22 Ų | 22 | 25 Ų | 25 | 15% | 0.154 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 174.8 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | H276 S282 | H276-S278 PolarHBondContact O-N 3.02Å; H276-S278 VanDerWaalsContact O-N 3.07Å; S278-S282 VanDerWaalsContact O-CB 3.32Å; S278-S282 WeakPolarHBondContact O-CB 3.41Å; S278-S282 PolarHBondContact O-N 3.15Å; S278-S282 VanDerWaalsContact O-N 3.11Å; S278-S282 PolarHBondContact O-OG 3.4Å |
| 279 | L | 96.7 | Very high | 95.5 | Very high | 52 Ų | 52 | 25 Ų | 25 | 27% | 0.272 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -69.9 | -49.8 | 177.4 | 172.6 | 64.3 | 0 | 0 | 0 | 109.7 | H276 A281 S282 L283 M350 L354 W505 | H276-L279 HydrophobicContact CB-CB 4.3Å; H276-L279 WeakPolarHBondContact O-CB 3.29Å; H276-L279 PolarHBondContact O-N 2.99Å; L279-A281 VanDerWaalsContact C-N 3.31Å; L279-A281 PolarHBondContact O-N 3.2Å; L279-S282 WeakPolarHBondContact O-CB 3.35Å; L279-S282 PolarHBondContact O-N 3.27Å; L279-S282 VanDerWaalsContact O-N 3.11Å; L279-L283 HydrophobicContact CD1-CD1 3.82Å; L279-L283 HydrophobicContact CD1-CD2 4.17Å; L279-L283 HydrophobicContact CD1-CG 3.79Å; L279-L283 HydrophobicContact CD2-CD1 4.46Å; L279-L283 HydrophobicContact CG-CD1 3.81Å; L279-L283 HydrophobicContact CG-CG 4.19Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.31Å; L279-L283 PolarHBondContact O-N 3.1Å; L279-M350 HydrophobicContact CB-CE 3.77Å; L279-M350 HydrophobicContact CB-SD 4.15Å; L279-M350 HydrophobicContact CD1-CE 3.21Å; L279-M350 HydrophobicContact CD1-SD 4.36Å; L279-M350 HydrophobicContact CG-CE 3.99Å; L279-L354 HydrophobicContact CD1-CD2 4.1Å; L279-W505 HydrophobicContact CB-CH2 4.4Å; L279-W505 HydrophobicContact CD2-CH2 3.78Å; L279-W505 HydrophobicContact CD2-CZ2 4.32Å; L279-W505 HydrophobicContact CG-CH2 3.87Å; L279-W505 HydrophobicContact CG-CZ2 4.45Å |
| 280 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.9 | -47.6 | 179 | -176.5 | 65.3 | 0 | 0 | 0 | 111.4 | P274 H276 S282 L283 V284 M339 Q504 W505 F508 Y561 | P274-L280 HydrophobicContact CB-CD2 4.33Å; P274-L280 HydrophobicContact CG-CD2 3.72Å; H276-L280 PolarHBondContact O-N 3.11Å; L280-S282 VanDerWaalsContact C-N 3.32Å; L280-S282 PolarHBondContact O-N 2.95Å; L280-L283 PolarHBondContact O-N 3.38Å; L280-V284 HydrophobicContact CD1-CG2 4.31Å; L280-V284 HydrophobicContact CG-CG2 4.47Å; L280-V284 WeakPolarHBondContact O-CB 3.24Å; L280-V284 VanDerWaalsContact O-CG2 3.25Å; L280-V284 WeakPolarHBondContact O-CG2 3.2Å; L280-V284 PolarHBondContact O-N 3.28Å; L280-M339 HydrophobicContact CD2-CE 3.98Å; L280-Q504 HydrophobicContact CD2-CB 3.93Å; L280-W505 HydrophobicContact CB-CH2 3.98Å; L280-W505 HydrophobicContact CB-CZ2 3.65Å; L280-W505 HydrophobicContact CD1-CD2 4.06Å; L280-W505 HydrophobicContact CD1-CE3 3.89Å; L280-W505 HydrophobicContact CD1-CH2 4.18Å; L280-W505 HydrophobicContact CD1-CZ2 4.33Å; L280-W505 HydrophobicContact CD1-CZ3 3.95Å; L280-F508 HydrophobicContact CD1-CB 3.85Å; L280-F508 HydrophobicContact CD1-CD1 4.49Å; L280-F508 HydrophobicContact CD1-CD2 4.25Å; L280-F508 HydrophobicContact CD1-CG 3.94Å; L280-Y561 HydrophobicContact CD2-CE2 3.91Å |
| 281 | A | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.8 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S277 L279 G285 G332 L335 Y336 Q347 | S277-A281 VanDerWaalsContact O-CB 3.26Å; S277-A281 WeakPolarHBondContact O-CB 3.5Å; S277-A281 PolarHBondContact O-N 3.41Å; L279-A281 VanDerWaalsContact C-N 3.31Å; L279-A281 PolarHBondContact O-N 3.2Å; A281-G285 PolarHBondContact O-N 3.5Å; A281-G332 VanDerWaalsContact O-CA 3.31Å; A281-G332 WeakPolarHBondContact O-CA 3.34Å; A281-L335 HydrophobicContact CB-CB 4.36Å; A281-L335 HydrophobicContact CB-CD2 4.4Å; A281-L335 HydrophobicContact CB-CG 4.35Å; A281-Y336 HydrophobicContact CB-CD2 4.39Å; A281-Q347 HydrophobicContact CB-CG 4.34Å |
| 282 | S | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -42.5 | 176.7 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | S278 L279 L280 T286 Q347 G351 | S278-S282 VanDerWaalsContact O-CB 3.32Å; S278-S282 WeakPolarHBondContact O-CB 3.41Å; S278-S282 PolarHBondContact O-N 3.15Å; S278-S282 VanDerWaalsContact O-N 3.11Å; S278-S282 PolarHBondContact O-OG 3.4Å; L279-S282 WeakPolarHBondContact O-CB 3.35Å; L279-S282 PolarHBondContact O-N 3.27Å; L279-S282 VanDerWaalsContact O-N 3.11Å; L280-S282 VanDerWaalsContact C-N 3.32Å; L280-S282 PolarHBondContact O-N 2.95Å; S282-T286 VanDerWaalsContact O-CB 3.31Å; S282-T286 WeakPolarHBondContact O-CB 3.34Å; S282-T286 PolarHBondContact O-N 3.29Å; S282-T286 PolarHBondContact O-OG1 3.37Å; S282-Q347 PolarHBondContact OG-NE2 2.87Å; S282-Q347 PolarHBondContact OG-O 2.96Å; S282-G351 PolarHBondContact OG-N 2.92Å |
| 283 | L | 98.1 | Very high | 96.6 | Very high | 23 Ų | 23 | 25.4 Ų | 25.4 | 12% | 0.12 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 176.2 | -68.1 | 173.3 | 0 | 0 | 0 | 111.4 | L279 L280 T286 G287 L354 W505 F508 L554 S558 | L279-L283 HydrophobicContact CD1-CD1 3.82Å; L279-L283 HydrophobicContact CD1-CD2 4.17Å; L279-L283 HydrophobicContact CD1-CG 3.79Å; L279-L283 HydrophobicContact CD2-CD1 4.46Å; L279-L283 HydrophobicContact CG-CD1 3.81Å; L279-L283 HydrophobicContact CG-CG 4.19Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.31Å; L279-L283 PolarHBondContact O-N 3.1Å; L280-L283 PolarHBondContact O-N 3.38Å; L283-T286 PolarHBondContact O-N 3.23Å; L283-G287 PolarHBondContact O-N 2.85Å; L283-L354 HydrophobicContact CD2-CD2 3.62Å; L283-L354 HydrophobicContact CG-CD2 4.46Å; L283-W505 HydrophobicContact CD1-CH2 3.97Å; L283-W505 HydrophobicContact CD1-CZ3 3.98Å; L283-F508 HydrophobicContact CB-CE1 4.39Å; L283-F508 HydrophobicContact CB-CE2 3.93Å; L283-F508 HydrophobicContact CB-CZ 3.67Å; L283-F508 HydrophobicContact CD1-CE1 3.97Å; L283-F508 HydrophobicContact CD1-CZ 4.06Å; L283-F508 HydrophobicContact CG-CZ 4.38Å; L283-L554 HydrophobicContact CB-CD2 4.36Å; L283-L554 HydrophobicContact CD2-CD2 3.58Å; L283-S558 PolarHBondContact O-OG 3.01Å |
| 284 | V | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.3 | -44.8 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | L280 T286 G287 I288 V331 L335 F508 S558 Y561 I562 | L280-V284 HydrophobicContact CD1-CG2 4.31Å; L280-V284 HydrophobicContact CG-CG2 4.47Å; L280-V284 WeakPolarHBondContact O-CB 3.24Å; L280-V284 VanDerWaalsContact O-CG2 3.25Å; L280-V284 WeakPolarHBondContact O-CG2 3.2Å; L280-V284 PolarHBondContact O-N 3.28Å; V284-T286 VanDerWaalsContact C-N 3.32Å; V284-T286 PolarHBondContact O-N 3.48Å; V284-G287 PolarHBondContact O-N 2.85Å; V284-I288 WeakPolarHBondContact O-CG1 3.27Å; V284-I288 PolarHBondContact O-N 3.02Å; V284-I288 VanDerWaalsContact O-N 3.11Å; V284-V331 HydrophobicContact CG1-CG1 4.17Å; V284-L335 HydrophobicContact CB-CD2 3.86Å; V284-L335 HydrophobicContact CG1-CD2 3.81Å; V284-L335 HydrophobicContact CG2-CD2 4.12Å; V284-F508 HydrophobicContact CG2-CD2 3.83Å; V284-F508 HydrophobicContact CG2-CE2 4.16Å; V284-S558 VanDerWaalsContact CA-OG 3.3Å; V284-S558 WeakPolarHBondContact CA-OG 3.41Å; V284-S558 WeakPolarHBondContact O-CB 3.23Å; V284-S558 PolarHBondContact O-OG 3.08Å; V284-Y561 HydrophobicContact CB-CD1 4.45Å; V284-Y561 HydrophobicContact CG1-CD1 3.96Å; V284-Y561 HydrophobicContact CG2-CD1 3.65Å; V284-Y561 HydrophobicContact CG2-CE1 4.31Å; V284-Y561 HydrophobicContact CG2-CG 3.83Å; V284-I562 HydrophobicContact CG1-CD1 4.32Å; V284-I562 HydrophobicContact CG1-CG1 4.18Å |
| 285 | G | 98 | Very high | 97 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A281 I288 H289 | A281-G285 PolarHBondContact O-N 3.5Å; G285-I288 PolarHBondContact O-N 3.11Å; G285-H289 WeakPolarHBondContact O-CB 3.34Å; G285-H289 PolarHBondContact O-N 2.92Å |
| 286 | T | 98 | Very high | 97.2 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 112 | S282 L283 V284 I288 H289 I290 N328 L355 L554 | S282-T286 VanDerWaalsContact O-CB 3.31Å; S282-T286 WeakPolarHBondContact O-CB 3.34Å; S282-T286 PolarHBondContact O-N 3.29Å; S282-T286 PolarHBondContact O-OG1 3.37Å; L283-T286 PolarHBondContact O-N 3.23Å; V284-T286 VanDerWaalsContact C-N 3.32Å; V284-T286 PolarHBondContact O-N 3.48Å; T286-I288 PolarHBondContact O-N 3.33Å; T286-H289 WeakPolarHBondContact O-CB 3.2Å; T286-H289 PolarHBondContact O-N 3Å; T286-I290 HydrophobicContact CG2-CD1 4.22Å; T286-I290 WeakPolarHBondContact O-CG1 3.3Å; T286-I290 PolarHBondContact O-N 3.4Å; T286-N328 PolarHBondContact N-OD1 3.26Å; T286-L355 HydrophobicContact CG2-CB 3.63Å; T286-L355 HydrophobicContact CG2-CD2 3.65Å; T286-L355 HydrophobicContact CG2-CG 4.18Å; T286-L554 HydrophobicContact CG2-CD1 3.85Å |
| 287 | G | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.5 | -31.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L283 V284 I290 A291 L554 S558 | L283-G287 PolarHBondContact O-N 2.85Å; V284-G287 PolarHBondContact O-N 2.85Å; G287-I290 PolarHBondContact O-N 3.25Å; G287-A291 PolarHBondContact O-N 3.46Å; G287-L554 WeakPolarHBondContact CA-O 3.35Å; G287-S558 WeakPolarHBondContact CA-OG 3.21Å |
| 288 | I | 98.1 | Very high | 97.2 | Very high | 26 Ų | 26 | 17.2 Ų | 17.2 | 13% | 0.133 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.2 | -37.5 | 169 | -63 | -53.6 | 0 | 0 | 0 | 111.5 | V284 G285 T286 A291 V292 I327 V331 V559 I562 | V284-I288 WeakPolarHBondContact O-CG1 3.27Å; V284-I288 PolarHBondContact O-N 3.02Å; V284-I288 VanDerWaalsContact O-N 3.11Å; G285-I288 PolarHBondContact O-N 3.11Å; T286-I288 PolarHBondContact O-N 3.33Å; I288-A291 WeakPolarHBondContact O-CB 3.33Å; I288-A291 PolarHBondContact O-N 2.82Å; I288-V292 HydrophobicContact CG2-CG2 4.47Å; I288-V292 WeakPolarHBondContact O-CG2 3.23Å; I288-V292 PolarHBondContact O-N 2.89Å; I288-I327 HydrophobicContact CG2-CG2 4.19Å; I288-V331 HydrophobicContact CB-CG1 4.42Å; I288-V331 HydrophobicContact CB-CG2 4.46Å; I288-V331 HydrophobicContact CG1-CG1 4.17Å; I288-V331 HydrophobicContact CG2-CG2 4.1Å; I288-V559 HydrophobicContact CD1-CG2 3.87Å; I288-I562 HydrophobicContact CD1-CD1 3.62Å; I288-I562 HydrophobicContact CG1-CD1 3.55Å |
| 289 | H | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 172.7 | -179.4 | -151 | 0 | 0 | 0 | 111.3 | G285 T286 A291 V292 V293 F321 T324 N328 | G285-H289 WeakPolarHBondContact O-CB 3.34Å; G285-H289 PolarHBondContact O-N 2.92Å; T286-H289 WeakPolarHBondContact O-CB 3.2Å; T286-H289 PolarHBondContact O-N 3Å; H289-A291 VanDerWaalsContact C-N 3.33Å; H289-A291 PolarHBondContact O-N 3.43Å; H289-V292 PolarHBondContact O-N 3.39Å; H289-V293 WeakPolarHBondContact O-CB 3.15Å; H289-V293 VanDerWaalsContact O-CG2 3.23Å; H289-V293 WeakPolarHBondContact O-CG2 3.31Å; H289-V293 PolarHBondContact O-N 2.98Å; H289-F321 AromaticContact CE1-CD2 3.52Å; H289-F321 AromaticContact CE1-CE2 3.34Å; H289-F321 WeakPolarHBondContact CE1-CE2 3.38Å; H289-F321 AromaticContact CE1-CG 3.95Å; H289-F321 AromaticContact CE1-CZ 3.61Å; H289-F321 PolarHBondContact CE1-O 2.97Å; H289-F321 VanDerWaalsContact CE1-O 3.3Å; H289-F321 AromaticContact ND1-CE2 3.66Å; H289-F321 AromaticContact ND1-CZ 3.98Å; H289-F321 AromaticContact NE2-CD2 3.96Å; H289-F321 PolarHBondContact NE2-O 3.14Å; H289-T324 PolarHBondContact CD2-OG1 3.4Å; H289-T324 VanDerWaalsContact CD2-OG1 3.3Å; H289-T324 PolarHBondContact NE2-OG1 3.46Å; H289-N328 HydrophobicContact CB-CB 3.79Å |
| 290 | I | 97.9 | Very high | 97 | Very high | 19 Ų | 19 | 21.1 Ų | 21.1 | 10% | 0.097 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 173.5 | -63.9 | 169.3 | 0 | 0 | 0 | 111.2 | T286 G287 V292 V293 S294 L355 C551 L554 L555 | T286-I290 HydrophobicContact CG2-CD1 4.22Å; T286-I290 WeakPolarHBondContact O-CG1 3.3Å; T286-I290 PolarHBondContact O-N 3.4Å; G287-I290 PolarHBondContact O-N 3.25Å; I290-V292 PolarHBondContact O-N 3.3Å; I290-V293 PolarHBondContact O-N 3Å; I290-S294 WeakPolarHBondContact O-CB 3.25Å; I290-S294 PolarHBondContact O-N 3.29Å; I290-S294 PolarHBondContact O-OG 2.82Å; I290-S294 VanDerWaalsContact O-OG 3.07Å; I290-L355 HydrophobicContact CD1-CD2 3.8Å; I290-L355 HydrophobicContact CG1-CD2 3.94Å; I290-C551 HydrophobicContact CD1-CB 4.27Å; I290-C551 HydrophobicContact CG2-CB 4.36Å; I290-L554 HydrophobicContact CD1-CB 3.85Å; I290-L554 HydrophobicContact CD1-CD1 3.83Å; I290-L554 HydrophobicContact CD1-CG 4.48Å; I290-L555 HydrophobicContact CG2-CB 4.31Å; I290-L555 HydrophobicContact CG2-CD1 4.25Å |
| 291 | A | 97.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 8% | 0.083 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.8 | -50.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G287 I288 H289 S294 S295 L555 | G287-A291 PolarHBondContact O-N 3.46Å; I288-A291 WeakPolarHBondContact O-CB 3.33Å; I288-A291 PolarHBondContact O-N 2.82Å; H289-A291 VanDerWaalsContact C-N 3.33Å; H289-A291 PolarHBondContact O-N 3.43Å; A291-S294 PolarHBondContact O-N 2.82Å; A291-S294 PolarHBondContact O-OG 2.98Å; A291-S295 PolarHBondContact O-N 2.9Å; A291-S295 PolarHBondContact O-OG 3.08Å; A291-S295 VanDerWaalsContact O-OG 3.14Å; A291-L555 HydrophobicContact CB-CD1 4.11Å; A291-L555 HydrophobicContact CB-CG 3.88Å |
| 292 | V | 97.8 | Very high | 96.3 | Very high | 41 Ų | 41 | 25.4 Ų | 25.4 | 25% | 0.248 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 179.4 | 174.6 | 0 | 0 | 0 | 0 | 111.8 | I288 H289 I290 S294 S295 I296 T324 I327 | I288-V292 HydrophobicContact CG2-CG2 4.47Å; I288-V292 WeakPolarHBondContact O-CG2 3.23Å; I288-V292 PolarHBondContact O-N 2.89Å; H289-V292 PolarHBondContact O-N 3.39Å; I290-V292 PolarHBondContact O-N 3.3Å; V292-S294 PolarHBondContact O-N 3.39Å; V292-S295 PolarHBondContact O-N 2.67Å; V292-I296 HydrophobicContact CG1-CD1 3.62Å; V292-I296 HydrophobicContact CG1-CG1 4.34Å; V292-I296 WeakPolarHBondContact O-CG1 3.37Å; V292-I296 PolarHBondContact O-N 3.09Å; V292-T324 HydrophobicContact CG1-CG2 4.33Å; V292-I327 HydrophobicContact CB-CD1 4.24Å; V292-I327 HydrophobicContact CG1-CD1 3.69Å; V292-I327 HydrophobicContact CG2-CD1 4.21Å; V292-I327 HydrophobicContact CG2-CG2 4.43Å |
| 293 | V | 97.5 | Very high | 95.8 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.7 | -48.5 | 177.4 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | H289 I290 S295 I296 V297 V320 F321 T324 | H289-V293 WeakPolarHBondContact O-CB 3.15Å; H289-V293 VanDerWaalsContact O-CG2 3.23Å; H289-V293 WeakPolarHBondContact O-CG2 3.31Å; H289-V293 PolarHBondContact O-N 2.98Å; I290-V293 PolarHBondContact O-N 3Å; V293-S295 PolarHBondContact O-N 3.39Å; V293-I296 PolarHBondContact O-N 3.25Å; V293-V297 HydrophobicContact CG1-CG2 4.1Å; V293-V297 WeakPolarHBondContact O-CB 3.22Å; V293-V297 VanDerWaalsContact O-CG2 3.25Å; V293-V297 WeakPolarHBondContact O-CG2 3.41Å; V293-V297 PolarHBondContact O-N 3.5Å; V293-V320 HydrophobicContact CB-CG1 4.43Å; V293-V320 HydrophobicContact CG1-CG1 4.21Å; V293-V320 HydrophobicContact CG2-CG1 4.32Å; V293-F321 HydrophobicContact CG1-CB 4.4Å; V293-F321 HydrophobicContact CG2-CB 4.34Å; V293-F321 HydrophobicContact CG2-CD2 4.15Å; V293-T324 WeakPolarHBondContact CG2-OG1 3.29Å |
| 294 | S | 96 | Very high | 95.3 | Very high | 29 Ų | 29 | 32.8 Ų | 32.8 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.8 | -43 | 179.1 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | I290 A291 V292 L298 L477 | I290-S294 WeakPolarHBondContact O-CB 3.25Å; I290-S294 PolarHBondContact O-N 3.29Å; I290-S294 PolarHBondContact O-OG 2.82Å; I290-S294 VanDerWaalsContact O-OG 3.07Å; A291-S294 PolarHBondContact O-N 2.82Å; A291-S294 PolarHBondContact O-OG 2.98Å; V292-S294 PolarHBondContact O-N 3.39Å; S294-L298 VanDerWaalsContact O-CB 3.27Å; S294-L298 WeakPolarHBondContact O-CB 3.06Å; S294-L298 WeakPolarHBondContact O-CG 3.42Å; S294-L298 PolarHBondContact O-N 3.34Å; S294-L477 WeakPolarHBondContact OG-CD2 3.37Å |
| 295 | S | 96.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.6 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | A291 V292 V293 F299 | A291-S295 PolarHBondContact O-N 2.9Å; A291-S295 PolarHBondContact O-OG 3.08Å; A291-S295 VanDerWaalsContact O-OG 3.14Å; V292-S295 PolarHBondContact O-N 2.67Å; V293-S295 PolarHBondContact O-N 3.39Å; S295-F299 VanDerWaalsContact O-CB 3.3Å; S295-F299 WeakPolarHBondContact O-CB 3.3Å; S295-F299 PolarHBondContact O-N 3.05Å |
| 296 | I | 96.4 | Very high | 94 | Very high | 60 Ų | 60 | 37 Ų | 37 | 31% | 0.308 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -68 | -46.8 | -179.7 | -67.3 | 169.8 | 0 | 0 | 0 | 110.7 | V292 V293 L298 F299 L300 V320 T324 | V292-I296 HydrophobicContact CG1-CD1 3.62Å; V292-I296 HydrophobicContact CG1-CG1 4.34Å; V292-I296 WeakPolarHBondContact O-CG1 3.37Å; V292-I296 PolarHBondContact O-N 3.09Å; V293-I296 PolarHBondContact O-N 3.25Å; I296-L298 PolarHBondContact O-N 3.08Å; I296-F299 PolarHBondContact O-N 3.45Å; I296-L300 HydrophobicContact CG2-CD1 3.91Å; I296-L300 HydrophobicContact CG2-CG 4.3Å; I296-L300 WeakPolarHBondContact O-CG 3.27Å; I296-L300 PolarHBondContact O-N 3.37Å; I296-V320 HydrophobicContact CB-CG1 3.87Å; I296-V320 HydrophobicContact CD1-CG1 4.32Å; I296-V320 HydrophobicContact CG2-CB 4.49Å; I296-V320 HydrophobicContact CG2-CG1 3.68Å; I296-V320 HydrophobicContact CG2-CG2 3.88Å; I296-T324 HydrophobicContact CD1-CG2 3.86Å |
| 297 | V | 95.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -42.7 | -179.7 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | V293 F299 L300 A301 F313 A317 V320 | V293-V297 HydrophobicContact CG1-CG2 4.1Å; V293-V297 WeakPolarHBondContact O-CB 3.22Å; V293-V297 VanDerWaalsContact O-CG2 3.25Å; V293-V297 WeakPolarHBondContact O-CG2 3.41Å; V293-V297 PolarHBondContact O-N 3.5Å; V297-F299 VanDerWaalsContact C-N 3.34Å; V297-F299 PolarHBondContact O-N 2.9Å; V297-L300 PolarHBondContact O-N 3.32Å; V297-A301 VanDerWaalsContact O-CB 3.28Å; V297-A301 WeakPolarHBondContact O-CB 3.08Å; V297-A301 PolarHBondContact O-N 3.34Å; V297-F313 HydrophobicContact CG1-CD2 4.29Å; V297-F313 HydrophobicContact CG1-CE1 4.45Å; V297-F313 HydrophobicContact CG1-CE2 3.65Å; V297-F313 HydrophobicContact CG1-CZ 3.74Å; V297-A317 HydrophobicContact CG1-CB 4.43Å; V297-A317 HydrophobicContact CG2-CB 4.15Å; V297-V320 HydrophobicContact CG2-CB 3.97Å; V297-V320 HydrophobicContact CG2-CG1 4.08Å; V297-V320 HydrophobicContact CG2-CG2 4.17Å |
| 298 | L | 94.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 12% | 0.12 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66 | -36.8 | 176.4 | -72.2 | 173.3 | 0 | 0 | 0 | 112.4 | S294 I296 A301 L302 F470 T473 L474 L477 | S294-L298 VanDerWaalsContact O-CB 3.27Å; S294-L298 WeakPolarHBondContact O-CB 3.06Å; S294-L298 WeakPolarHBondContact O-CG 3.42Å; S294-L298 PolarHBondContact O-N 3.34Å; I296-L298 PolarHBondContact O-N 3.08Å; L298-A301 PolarHBondContact O-N 3.12Å; L298-L302 PolarHBondContact O-N 3.42Å; L298-F470 HydrophobicContact CD2-CD1 3.92Å; L298-T473 HydrophobicContact CD1-CG2 4.4Å; L298-T473 HydrophobicContact CD2-CG2 4.3Å; L298-L474 HydrophobicContact CB-CB 4.23Å; L298-L474 HydrophobicContact CB-CD1 3.92Å; L298-L474 HydrophobicContact CD1-CD1 4.39Å; L298-L477 HydrophobicContact CD1-CD2 3.92Å |
| 299 | F | 94.6 | Very high | 92 | Very high | 109 Ų | 109 | 44 Ų | 44 | 48% | 0.478 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 174.8 | -180 | -98.6 | 0 | 0 | 0 | 112.4 | S295 I296 V297 L302 T303 | S295-F299 VanDerWaalsContact O-CB 3.3Å; S295-F299 WeakPolarHBondContact O-CB 3.3Å; S295-F299 PolarHBondContact O-N 3.05Å; I296-F299 PolarHBondContact O-N 3.45Å; V297-F299 VanDerWaalsContact C-N 3.34Å; V297-F299 PolarHBondContact O-N 2.9Å; F299-L302 PolarHBondContact O-N 2.94Å; F299-T303 HydrophobicContact CE1-CG2 4.07Å; F299-T303 HydrophobicContact CE2-CG2 4.23Å; F299-T303 HydrophobicContact CZ-CG2 3.89Å; F299-T303 PolarHBondContact O-N 2.88Å; F299-T303 PolarHBondContact O-OG1 3.48Å |
| 300 | L | 93.2 | Very high | 91.3 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -38.3 | 174.2 | -68.2 | 176.6 | 0 | 0 | 0 | 111.7 | I296 V297 L302 T303 N304 L306 T316 V320 | I296-L300 HydrophobicContact CG2-CD1 3.91Å; I296-L300 HydrophobicContact CG2-CG 4.3Å; I296-L300 WeakPolarHBondContact O-CG 3.27Å; I296-L300 PolarHBondContact O-N 3.37Å; V297-L300 PolarHBondContact O-N 3.32Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 PolarHBondContact O-N 3.47Å; L300-T303 WeakPolarHBondContact CA-OG1 3.18Å; L300-T303 PolarHBondContact O-N 3.08Å; L300-T303 PolarHBondContact O-OG1 3.03Å; L300-N304 WeakPolarHBondContact O-CB 3.25Å; L300-N304 PolarHBondContact O-N 2.9Å; L300-L306 HydrophobicContact CB-CD1 4.1Å; L300-T316 HydrophobicContact CB-CG2 4.47Å; L300-T316 HydrophobicContact CD1-CG2 3.75Å; L300-V320 HydrophobicContact CD1-CG2 4.01Å |
| 301 | A | 91.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.8 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V297 L298 K305 L306 F313 F470 | V297-A301 VanDerWaalsContact O-CB 3.28Å; V297-A301 WeakPolarHBondContact O-CB 3.08Å; V297-A301 PolarHBondContact O-N 3.34Å; L298-A301 PolarHBondContact O-N 3.12Å; A301-K305 PolarHBondContact O-N 3.3Å; A301-L306 HydrophobicContact CB-CB 4.42Å; A301-L306 HydrophobicContact CB-CD1 4.12Å; A301-L306 HydrophobicContact CB-CG 4.49Å; A301-F313 HydrophobicContact CB-CD2 4.34Å; A301-F313 HydrophobicContact CB-CE2 4.24Å; A301-F470 HydrophobicContact CB-CB 4.24Å; A301-F470 HydrophobicContact CB-CD1 3.69Å; A301-F470 HydrophobicContact CB-CD2 3.99Å; A301-F470 HydrophobicContact CB-CE1 3.98Å; A301-F470 HydrophobicContact CB-CE2 4.27Å; A301-F470 HydrophobicContact CB-CG 3.69Å; A301-F470 HydrophobicContact CB-CZ 4.26Å |
| 302 | L | 88.8 | Confident | 90.1 | Very high | 90 Ų | 90 | 44.9 Ų | 44.9 | 47% | 0.471 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.2 | -44.8 | 174.8 | 178.6 | 66.3 | 0 | 0 | 0 | 112.5 | L298 F299 L300 | L298-L302 PolarHBondContact O-N 3.42Å; F299-L302 PolarHBondContact O-N 2.94Å; L300-L302 VanDerWaalsContact C-N 3.26Å; L300-L302 PolarHBondContact O-N 3.47Å |
| 303 | T | 88.6 | Confident | 89.8 | Confident | 72 Ų | 72 | 46.1 Ų | 46.1 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -80.7 | -39.3 | -172.5 | 45.1 | 0 | 0 | 0 | 0 | 113.3 | F299 L300 | F299-T303 HydrophobicContact CE1-CG2 4.07Å; F299-T303 HydrophobicContact CE2-CG2 4.23Å; F299-T303 HydrophobicContact CZ-CG2 3.89Å; F299-T303 PolarHBondContact O-N 2.88Å; F299-T303 PolarHBondContact O-OG1 3.48Å; L300-T303 WeakPolarHBondContact CA-OG1 3.18Å; L300-T303 PolarHBondContact O-N 3.08Å; L300-T303 PolarHBondContact O-OG1 3.03Å |
| 304 | N | 87.5 | Confident | 89.5 | Confident | 106 Ų | 106 | 47.5 Ų | 47.5 | 57% | 0.567 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -102.4 | 8.8 | -174.3 | -64.6 | -14.5 | 0 | 0 | 0 | 113.6 | L300 L306 | L300-N304 WeakPolarHBondContact O-CB 3.25Å; L300-N304 PolarHBondContact O-N 2.9Å; N304-L306 VanDerWaalsContact C-N 3.26Å; N304-L306 HydrophobicContact CB-CD2 3.96Å; N304-L306 HydrophobicContact CB-CG 4.31Å; N304-L306 PolarHBondContact O-N 2.82Å; N304-L306 VanDerWaalsContact O-N 3.16Å |
| 305 | K | 84 | Confident | 89.2 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 34% | 0.343 | 25% | 0.248 | S | C | . | . | trans | 44.2 | 49.6 | -175.9 | -62.2 | -175.5 | 179.5 | -173.3 | 0 | 112.4 | A194 D195 A301 Y307 A308 | A194-K305 PolarHBondContact O-NZ 3.08Å; D195-K305 IonicContact OD1-NZ 2.67Å; A301-K305 PolarHBondContact O-N 3.3Å; K305-Y307 HydrophobicContact CB-CD1 4.29Å; K305-Y307 HydrophobicContact CB-CE1 3.71Å; K305-Y307 HydrophobicContact CG-CE1 4.03Å; K305-Y307 PolarHBondContact O-N 2.99Å; K305-A308 WeakPolarHBondContact O-CB 3.48Å; K305-A308 PolarHBondContact O-N 3.48Å | ||
| 306 | L | 85.3 | Confident | 89 | Confident | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -6.7 | -174.1 | -64.5 | 179.1 | 0 | 0 | 0 | 115.4 | L300 A301 N304 T316 | L300-L306 HydrophobicContact CB-CD1 4.1Å; A301-L306 HydrophobicContact CB-CB 4.42Å; A301-L306 HydrophobicContact CB-CD1 4.12Å; A301-L306 HydrophobicContact CB-CG 4.49Å; N304-L306 VanDerWaalsContact C-N 3.26Å; N304-L306 HydrophobicContact CB-CD2 3.96Å; N304-L306 HydrophobicContact CB-CG 4.31Å; N304-L306 PolarHBondContact O-N 2.82Å; N304-L306 VanDerWaalsContact O-N 3.16Å; L306-T316 HydrophobicContact CD1-CG2 3.97Å |
| 307 | Y | 84.6 | Confident | 88.9 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -16 | 174.6 | 61.9 | -92.7 | 0 | 0 | 0 | 113.6 | F197 L201 K305 I466 F468 F470 | F197-Y307 AromaticContact CD1-CD2 3.78Å; F197-Y307 HydrophobicContact CD1-CD2 3.78Å; F197-Y307 AromaticContact CD1-CE2 3.86Å; F197-Y307 HydrophobicContact CD1-CE2 3.86Å; F197-Y307 AromaticContact CE1-CD2 3.9Å; F197-Y307 HydrophobicContact CE1-CD2 3.9Å; F197-Y307 HydrophobicContact CE1-CE2 4.44Å; L201-Y307 HydrophobicContact CD1-CE2 3.98Å; L201-Y307 HydrophobicContact CD2-CD2 4.27Å; L201-Y307 HydrophobicContact CD2-CE2 4.18Å; K305-Y307 HydrophobicContact CB-CD1 4.29Å; K305-Y307 HydrophobicContact CB-CE1 3.71Å; K305-Y307 HydrophobicContact CG-CE1 4.03Å; K305-Y307 PolarHBondContact O-N 2.99Å; Y307-I466 HydrophobicContact CD2-CG2 4.49Å; Y307-F468 HydrophobicContact CD1-CB 4.48Å; Y307-F468 HydrophobicContact CE1-CB 4.3Å; Y307-F468 HydrophobicContact CE2-CB 4.47Å; Y307-F470 HydrophobicContact CD1-CD2 4.2Å; Y307-F470 AromaticContact CD1-CE2 3.68Å; Y307-F470 HydrophobicContact CD1-CE2 3.68Å; Y307-F470 HydrophobicContact CG-CE2 4.29Å |
| 308 | A | 83.8 | Confident | 88.8 | Confident | 28 Ų | 28 | 48 Ų | 48 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -77.1 | -30.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | F197 K305 | F197-A308 HydrophobicContact CD2-CB 4.48Å; F197-A308 HydrophobicContact CG-CB 4.47Å; K305-A308 WeakPolarHBondContact O-CB 3.48Å; K305-A308 PolarHBondContact O-N 3.48Å |
| 309 | E | 83.3 | Confident | 88.8 | Confident | 104 Ų | 104 | 53.9 Ų | 53.9 | 49% | 0.486 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -100 | 142.3 | 179.1 | -68.3 | 174.2 | -176.1 | 0 | 0 | 111.6 | S312 | E309-S312 WeakPolarHBondContact OE2-CB 3.47Å; E309-S312 PolarHBondContact OE2-OG 3.29Å |
| 310 | R | 82.2 | Confident | 88.8 | Confident | 25 Ų | 25 | 49 Ų | 49 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -68.8 | 137.4 | 178 | -63.3 | -170.8 | -59.3 | -87.4 | -16.2 | 111.4 | E72 Y123 D126 S312 | E72-R310 HydrophobicContact CG-CB 3.92Å; E72-R310 WeakPolarHBondContact OE1-CB 3.37Å; E72-R310 IonicContact OE1-CZ 3.27Å; E72-R310 IonicContact OE1-NE 3.77Å; E72-R310 PolarHBondContact OE1-NE 2.8Å; E72-R310 IonicContact OE1-NH2 3.75Å; E72-R310 PolarHBondContact OE1-NH2 2.84Å; Y123-R310 HydrophobicContact CD1-CG 4.37Å; Y123-R310 VanDerWaalsContact CE1-CD 3.44Å; Y123-R310 HydrophobicContact CE1-CG 3.86Å; Y123-R310 VanDerWaalsContact CZ-CD 3.45Å; D126-R310 VanDerWaalsContact CA-NH1 3.29Å; D126-R310 IonicContact OD1-CZ 2.97Å; D126-R310 IonicContact OD1-NE 2.82Å; D126-R310 IonicContact OD1-NH1 3.47Å; D126-R310 PolarHBondContact OD1-NH1 3.01Å; D126-R310 IonicContact OD1-NH2 3.89Å; D126-R310 PolarHBondContact OD1-NH2 2.89Å; R310-S312 PolarHBondContact O-N 3.39Å |
| 311 | G | 84.3 | Confident | 88.9 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 65.4 | -11.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | F313 I314 S315 | G311-F313 VanDerWaalsContact C-N 3.34Å; G311-F313 PolarHBondContact O-N 3.2Å; G311-I314 PolarHBondContact O-N 3.03Å; G311-I314 VanDerWaalsContact O-N 3.09Å; G311-S315 PolarHBondContact O-N 3.38Å; G311-S315 PolarHBondContact O-OG 3.41Å |
| 312 | S | 87.5 | Confident | 89.1 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -40.2 | -172.2 | -168.8 | 0 | 0 | 0 | 0 | 112.6 | E309 R310 I314 S315 T316 | E309-S312 WeakPolarHBondContact OE2-CB 3.47Å; E309-S312 PolarHBondContact OE2-OG 3.29Å; R310-S312 PolarHBondContact O-N 3.39Å; S312-I314 PolarHBondContact O-N 3.24Å; S312-S315 PolarHBondContact O-N 2.83Å; S312-T316 VanDerWaalsContact O-CB 3.25Å; S312-T316 WeakPolarHBondContact O-CB 3.38Å; S312-T316 PolarHBondContact O-N 3.14Å; S312-T316 PolarHBondContact O-OG1 3.1Å |
| 313 | F | 89.9 | Confident | 89.4 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 30% | 0.298 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 174.4 | -175.8 | -90.2 | 0 | 0 | 0 | 113.1 | V297 A301 G311 A317 F470 | V297-F313 HydrophobicContact CG1-CD2 4.29Å; V297-F313 HydrophobicContact CG1-CE1 4.45Å; V297-F313 HydrophobicContact CG1-CE2 3.65Å; V297-F313 HydrophobicContact CG1-CZ 3.74Å; A301-F313 HydrophobicContact CB-CD2 4.34Å; A301-F313 HydrophobicContact CB-CE2 4.24Å; G311-F313 VanDerWaalsContact C-N 3.34Å; G311-F313 PolarHBondContact O-N 3.2Å; F313-A317 WeakPolarHBondContact O-CB 3.48Å; F313-A317 PolarHBondContact O-N 3.36Å; F313-F470 HydrophobicContact CD2-CE1 4.42Å; F313-F470 AromaticContact CE2-CE1 3.96Å; F313-F470 HydrophobicContact CE2-CE1 3.96Å |
| 314 | I | 91.1 | Very high | 89.8 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.8 | -44.6 | -177.5 | -66.5 | 176 | 0 | 0 | 0 | 110.5 | L74 Q75 G311 S312 T316 A317 I318 | L74-I314 HydrophobicContact CB-CG2 4.43Å; L74-I314 HydrophobicContact CD1-CG2 3.92Å; Q75-I314 HydrophobicContact CG-CD1 3.45Å; Q75-I314 VanDerWaalsContact CG-CD1 3.45Å; G311-I314 PolarHBondContact O-N 3.03Å; G311-I314 VanDerWaalsContact O-N 3.09Å; S312-I314 PolarHBondContact O-N 3.24Å; I314-T316 VanDerWaalsContact C-N 3.3Å; I314-T316 PolarHBondContact O-N 2.88Å; I314-A317 PolarHBondContact O-N 3.41Å; I314-A317 VanDerWaalsContact O-N 3.15Å; I314-I318 HydrophobicContact CG2-CD1 3.95Å; I314-I318 HydrophobicContact CG2-CG1 4.5Å; I314-I318 WeakPolarHBondContact O-CG1 3.37Å; I314-I318 PolarHBondContact O-N 2.9Å |
| 315 | S | 91.3 | Very high | 90.3 | Very high | 36 Ų | 36 | 40 Ų | 40 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.9 | -45.7 | 175.5 | -63.4 | 0 | 0 | 0 | 0 | 111.1 | G71 G311 S312 I318 F319 | G71-S315 WeakPolarHBondContact CA-OG 3.32Å; G71-S315 PolarHBondContact N-OG 2.97Å; G311-S315 PolarHBondContact O-N 3.38Å; G311-S315 PolarHBondContact O-OG 3.41Å; S312-S315 PolarHBondContact O-N 2.83Å; S315-I318 PolarHBondContact O-N 3.29Å; S315-F319 WeakPolarHBondContact O-CB 3.45Å; S315-F319 PolarHBondContact O-N 3.38Å |
| 316 | T | 91.8 | Very high | 90.9 | Very high | 27 Ų | 27 | 38 Ų | 38 | 17% | 0.166 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.6 | -60 | 0 | 0 | 0 | 0 | 111.4 | L300 L306 S312 I314 I318 F319 V320 | L300-T316 HydrophobicContact CB-CG2 4.47Å; L300-T316 HydrophobicContact CD1-CG2 3.75Å; L306-T316 HydrophobicContact CD1-CG2 3.97Å; S312-T316 VanDerWaalsContact O-CB 3.25Å; S312-T316 WeakPolarHBondContact O-CB 3.38Å; S312-T316 PolarHBondContact O-N 3.14Å; S312-T316 PolarHBondContact O-OG1 3.1Å; I314-T316 VanDerWaalsContact C-N 3.3Å; I314-T316 PolarHBondContact O-N 2.88Å; T316-I318 PolarHBondContact O-N 2.76Å; T316-F319 PolarHBondContact O-N 2.83Å; T316-V320 HydrophobicContact CG2-CG2 4.11Å; T316-V320 WeakPolarHBondContact O-CB 3.08Å; T316-V320 VanDerWaalsContact O-CG2 3.27Å; T316-V320 WeakPolarHBondContact O-CG2 3.31Å; T316-V320 PolarHBondContact O-N 2.98Å |
| 317 | A | 93.6 | Very high | 91.5 | Very high | 29 Ų | 29 | 40 Ų | 40 | 24% | 0.24 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V297 F313 I314 F321 | V297-A317 HydrophobicContact CG1-CB 4.43Å; V297-A317 HydrophobicContact CG2-CB 4.15Å; F313-A317 WeakPolarHBondContact O-CB 3.48Å; F313-A317 PolarHBondContact O-N 3.36Å; I314-A317 PolarHBondContact O-N 3.41Å; I314-A317 VanDerWaalsContact O-N 3.15Å; A317-F321 WeakPolarHBondContact O-CB 3.35Å; A317-F321 PolarHBondContact O-N 3.46Å |
| 318 | I | 93.7 | Very high | 92.1 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 176.2 | -66.8 | 167.7 | 0 | 0 | 0 | 110.5 | L70 L74 I314 S315 T316 F321 A322 I390 | L70-I318 HydrophobicContact CD2-CD1 4.09Å; L74-I318 HydrophobicContact CD1-CD1 3.53Å; I314-I318 HydrophobicContact CG2-CD1 3.95Å; I314-I318 HydrophobicContact CG2-CG1 4.5Å; I314-I318 WeakPolarHBondContact O-CG1 3.37Å; I314-I318 PolarHBondContact O-N 2.9Å; S315-I318 PolarHBondContact O-N 3.29Å; T316-I318 PolarHBondContact O-N 2.76Å; I318-F321 PolarHBondContact O-N 3.07Å; I318-A322 WeakPolarHBondContact O-CB 3.48Å; I318-A322 PolarHBondContact O-N 3.49Å; I318-I390 HydrophobicContact CG2-CD1 4.19Å |
| 319 | F | 93.7 | Very high | 92.8 | Very high | 145 Ų | 145 | 37 Ų | 37 | 64% | 0.636 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62.4 | -47.1 | 178.6 | 175.7 | -98.7 | 0 | 0 | 0 | 112.4 | S315 T316 A322 S323 | S315-F319 WeakPolarHBondContact O-CB 3.45Å; S315-F319 PolarHBondContact O-N 3.38Å; T316-F319 PolarHBondContact O-N 2.83Å; F319-A322 PolarHBondContact O-N 3.35Å; F319-S323 WeakPolarHBondContact O-CB 3.48Å; F319-S323 PolarHBondContact O-N 3.35Å; F319-S323 PolarHBondContact O-OG 2.87Å |
| 320 | V | 95.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -42.2 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | V293 I296 V297 L300 T316 A322 S323 T324 | V293-V320 HydrophobicContact CB-CG1 4.43Å; V293-V320 HydrophobicContact CG1-CG1 4.21Å; V293-V320 HydrophobicContact CG2-CG1 4.32Å; I296-V320 HydrophobicContact CB-CG1 3.87Å; I296-V320 HydrophobicContact CD1-CG1 4.32Å; I296-V320 HydrophobicContact CG2-CB 4.49Å; I296-V320 HydrophobicContact CG2-CG1 3.68Å; I296-V320 HydrophobicContact CG2-CG2 3.88Å; V297-V320 HydrophobicContact CG2-CB 3.97Å; V297-V320 HydrophobicContact CG2-CG1 4.08Å; V297-V320 HydrophobicContact CG2-CG2 4.17Å; L300-V320 HydrophobicContact CD1-CG2 4.01Å; T316-V320 HydrophobicContact CG2-CG2 4.11Å; T316-V320 WeakPolarHBondContact O-CB 3.08Å; T316-V320 VanDerWaalsContact O-CG2 3.27Å; T316-V320 WeakPolarHBondContact O-CG2 3.31Å; T316-V320 PolarHBondContact O-N 2.98Å; V320-A322 PolarHBondContact O-N 3Å; V320-S323 WeakPolarHBondContact CA-OG 3.48Å; V320-S323 PolarHBondContact O-N 3.48Å; V320-S323 PolarHBondContact O-OG 3.35Å; V320-S323 VanDerWaalsContact O-OG 3.13Å; V320-T324 HydrophobicContact CG1-CG2 4.17Å; V320-T324 WeakPolarHBondContact O-CB 3.35Å; V320-T324 WeakPolarHBondContact O-CG2 3.47Å; V320-T324 PolarHBondContact O-N 2.89Å; V320-T324 PolarHBondContact O-OG1 2.89Å |
| 321 | F | 95.7 | Very high | 94.2 | Very high | 44 Ų | 44 | 34.8 Ų | 34.8 | 19% | 0.193 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 175.9 | -177.4 | -90.6 | 0 | 0 | 0 | 112 | H289 V293 A317 I318 S325 L355 P356 V395 | H289-F321 AromaticContact CE1-CD2 3.52Å; H289-F321 AromaticContact CE1-CE2 3.34Å; H289-F321 WeakPolarHBondContact CE1-CE2 3.38Å; H289-F321 AromaticContact CE1-CG 3.95Å; H289-F321 AromaticContact CE1-CZ 3.61Å; H289-F321 PolarHBondContact CE1-O 2.97Å; H289-F321 VanDerWaalsContact CE1-O 3.3Å; H289-F321 AromaticContact ND1-CE2 3.66Å; H289-F321 AromaticContact ND1-CZ 3.98Å; H289-F321 AromaticContact NE2-CD2 3.96Å; H289-F321 PolarHBondContact NE2-O 3.14Å; V293-F321 HydrophobicContact CG1-CB 4.4Å; V293-F321 HydrophobicContact CG2-CB 4.34Å; V293-F321 HydrophobicContact CG2-CD2 4.15Å; A317-F321 WeakPolarHBondContact O-CB 3.35Å; A317-F321 PolarHBondContact O-N 3.46Å; I318-F321 PolarHBondContact O-N 3.07Å; F321-S325 PolarHBondContact O-N 2.82Å; F321-L355 HydrophobicContact CE2-CD2 4.05Å; F321-L355 HydrophobicContact CZ-CD2 4.32Å; F321-P356 HydrophobicContact CE1-CG 4.5Å; F321-P356 HydrophobicContact CZ-CG 4.37Å; F321-V395 HydrophobicContact CD1-CG2 4.43Å; F321-V395 HydrophobicContact CE1-CG1 4.17Å; F321-V395 HydrophobicContact CE1-CG2 4.33Å |
| 322 | A | 95.5 | Very high | 94.8 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -48.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | I318 F319 V320 T324 S325 I390 V394 V395 L398 | I318-A322 WeakPolarHBondContact O-CB 3.48Å; I318-A322 PolarHBondContact O-N 3.49Å; F319-A322 PolarHBondContact O-N 3.35Å; V320-A322 PolarHBondContact O-N 3Å; A322-T324 PolarHBondContact O-N 3.38Å; A322-S325 WeakPolarHBondContact O-CB 3.3Å; A322-S325 PolarHBondContact O-N 2.92Å; A322-I390 HydrophobicContact CB-CG2 4.2Å; A322-V394 HydrophobicContact CB-CG1 4.09Å; A322-V395 HydrophobicContact CB-CG2 4.26Å; A322-L398 VanDerWaalsContact O-CD1 3.31Å; A322-L398 WeakPolarHBondContact O-CD1 3.34Å |
| 323 | S | 95.2 | Very high | 95.3 | Very high | 59 Ų | 59 | 33.8 Ų | 33.8 | 41% | 0.413 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.9 | -33.1 | -178.1 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | F319 V320 S325 P326 | F319-S323 WeakPolarHBondContact O-CB 3.48Å; F319-S323 PolarHBondContact O-N 3.35Å; F319-S323 PolarHBondContact O-OG 2.87Å; V320-S323 WeakPolarHBondContact CA-OG 3.48Å; V320-S323 PolarHBondContact O-N 3.48Å; V320-S323 PolarHBondContact O-OG 3.35Å; V320-S323 VanDerWaalsContact O-OG 3.13Å; S323-S325 VanDerWaalsContact C-N 3.34Å; S323-P326 WeakPolarHBondContact O-CD 3.42Å |
| 324 | T | 96.6 | Very high | 95.6 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 10% | 0.104 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 2 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | H289 V292 V293 I296 V320 A322 P326 I327 | H289-T324 PolarHBondContact CD2-OG1 3.4Å; H289-T324 VanDerWaalsContact CD2-OG1 3.3Å; H289-T324 PolarHBondContact NE2-OG1 3.46Å; V292-T324 HydrophobicContact CG1-CG2 4.33Å; V293-T324 WeakPolarHBondContact CG2-OG1 3.29Å; I296-T324 HydrophobicContact CD1-CG2 3.86Å; V320-T324 HydrophobicContact CG1-CG2 4.17Å; V320-T324 WeakPolarHBondContact O-CB 3.35Å; V320-T324 WeakPolarHBondContact O-CG2 3.47Å; V320-T324 PolarHBondContact O-N 2.89Å; V320-T324 PolarHBondContact O-OG1 2.89Å; A322-T324 PolarHBondContact O-N 3.38Å; T324-P326 VanDerWaalsContact C-N 3.29Å; T324-P326 VanDerWaalsContact O-N 3.15Å; T324-I327 HydrophobicContact CG2-CD1 4.5Å; T324-I327 WeakPolarHBondContact O-CB 3.27Å; T324-I327 WeakPolarHBondContact O-CG1 3.16Å; T324-I327 PolarHBondContact O-N 2.64Å |
| 325 | S | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -51.4 | -33.2 | 178.4 | -167.3 | 0 | 0 | 0 | 0 | 115.7 | F321 A322 S323 I327 N328 V395 | F321-S325 PolarHBondContact O-N 2.82Å; A322-S325 WeakPolarHBondContact O-CB 3.3Å; A322-S325 PolarHBondContact O-N 2.92Å; S323-S325 VanDerWaalsContact C-N 3.34Å; S325-I327 PolarHBondContact O-N 3.32Å; S325-I327 VanDerWaalsContact O-N 3.1Å; S325-N328 WeakPolarHBondContact O-CB 3.27Å; S325-N328 PolarHBondContact O-N 2.84Å; S325-N328 VanDerWaalsContact O-N 3.14Å; S325-V395 WeakPolarHBondContact OG-CG1 3.41Å; S325-V395 PolarHBondContact OG-O 3.33Å; S325-V395 VanDerWaalsContact OG-O 3.06Å |
| 326 | P | 97.7 | Very high | 96.1 | Very high | 36 Ų | 36 | 28.5 Ų | 28.5 | 23% | 0.234 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.8 | -25.2 | 174.6 | -25.3 | 35.5 | 0 | 0 | 0 | 114.2 | S323 T324 G329 L330 L398 G402 | S323-P326 WeakPolarHBondContact O-CD 3.42Å; T324-P326 VanDerWaalsContact C-N 3.29Å; T324-P326 VanDerWaalsContact O-N 3.15Å; P326-G329 PolarHBondContact O-N 3.45Å; P326-L330 VanDerWaalsContact O-CB 3.3Å; P326-L330 WeakPolarHBondContact O-CB 3.48Å; P326-L330 PolarHBondContact O-N 3.26Å; P326-L398 WeakPolarHBondContact CA-O 3.39Å; P326-L398 HydrophobicContact CG-CB 3.97Å; P326-L398 HydrophobicContact CG-CD2 4.35Å; P326-G402 VanDerWaalsContact O-CA 3.22Å; P326-G402 WeakPolarHBondContact O-CA 3.43Å |
| 327 | I | 97.6 | Very high | 96.2 | Very high | 53 Ų | 53 | 28 Ų | 28 | 27% | 0.272 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 179 | -60.8 | 176.7 | 0 | 0 | 0 | 110.9 | I288 V292 T324 S325 G329 L330 V331 | I288-I327 HydrophobicContact CG2-CG2 4.19Å; V292-I327 HydrophobicContact CB-CD1 4.24Å; V292-I327 HydrophobicContact CG1-CD1 3.69Å; V292-I327 HydrophobicContact CG2-CD1 4.21Å; V292-I327 HydrophobicContact CG2-CG2 4.43Å; T324-I327 HydrophobicContact CG2-CD1 4.5Å; T324-I327 WeakPolarHBondContact O-CB 3.27Å; T324-I327 WeakPolarHBondContact O-CG1 3.16Å; T324-I327 PolarHBondContact O-N 2.64Å; S325-I327 PolarHBondContact O-N 3.32Å; S325-I327 VanDerWaalsContact O-N 3.1Å; I327-G329 VanDerWaalsContact C-N 3.33Å; I327-G329 PolarHBondContact O-N 3.33Å; I327-L330 PolarHBondContact O-N 3.32Å; I327-V331 HydrophobicContact CG2-CG2 4.31Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 2.9Å |
| 328 | N | 97.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.1 | -51.8 | 175.4 | -177 | -3.9 | 0 | 0 | 0 | 110.1 | T286 H289 S325 L330 V331 G332 G351 N399 | T286-N328 PolarHBondContact N-OD1 3.26Å; H289-N328 HydrophobicContact CB-CB 3.79Å; S325-N328 WeakPolarHBondContact O-CB 3.27Å; S325-N328 PolarHBondContact O-N 2.84Å; S325-N328 VanDerWaalsContact O-N 3.14Å; N328-L330 PolarHBondContact O-N 3.27Å; N328-V331 PolarHBondContact O-N 3.23Å; N328-G332 PolarHBondContact O-N 3.21Å; N328-G351 PolarHBondContact ND2-O 3.01Å; N328-N399 PolarHBondContact ND2-ND2 2.64Å |
| 329 | G | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P326 I327 G333 N399 G402 T403 | P326-G329 PolarHBondContact O-N 3.45Å; I327-G329 VanDerWaalsContact C-N 3.33Å; I327-G329 PolarHBondContact O-N 3.33Å; G329-G333 VanDerWaalsContact O-CA 3.3Å; G329-G333 WeakPolarHBondContact O-CA 3.48Å; G329-G333 PolarHBondContact O-N 3.09Å; G329-N399 WeakPolarHBondContact CA-OD1 3.21Å; G329-N399 PolarHBondContact N-OD1 3.27Å; G329-G402 CarbonylContact C-O 3.45Å; G329-T403 VanDerWaalsContact CA-OG1 3.24Å; G329-T403 WeakPolarHBondContact CA-OG1 3.38Å; G329-T403 VanDerWaalsContact O-CA 3.29Å; G329-T403 WeakPolarHBondContact O-CA 3.45Å |
| 330 | L | 97.6 | Very high | 96 | Very high | 59 Ų | 59 | 25.2 Ų | 25.2 | 31% | 0.309 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.1 | -48.6 | -179.1 | -174.4 | 152.9 | 0 | 0 | 0 | 111.6 | P326 I327 N328 S334 G402 F410 | P326-L330 VanDerWaalsContact O-CB 3.3Å; P326-L330 WeakPolarHBondContact O-CB 3.48Å; P326-L330 PolarHBondContact O-N 3.26Å; I327-L330 PolarHBondContact O-N 3.32Å; N328-L330 PolarHBondContact O-N 3.27Å; L330-S334 WeakPolarHBondContact O-CB 2.89Å; L330-S334 PolarHBondContact O-N 3.22Å; L330-S334 PolarHBondContact O-OG 3.41Å; L330-G402 WeakPolarHBondContact CA-O 3.31Å; L330-G402 VanDerWaalsContact N-C 3.32Å; L330-G402 PolarHBondContact N-O 3.45Å; L330-F410 HydrophobicContact CD1-CE2 4.43Å; L330-F410 HydrophobicContact CD2-CD2 4.23Å; L330-F410 HydrophobicContact CD2-CE2 4.44Å |
| 331 | V | 97.6 | Very high | 95.8 | Very high | 25 Ų | 25 | 25.3 Ų | 25.3 | 15% | 0.152 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -71.2 | -48.2 | -178.8 | 176.1 | 0 | 0 | 0 | 0 | 111 | V284 I288 I327 N328 S334 L335 I562 | V284-V331 HydrophobicContact CG1-CG1 4.17Å; I288-V331 HydrophobicContact CB-CG1 4.42Å; I288-V331 HydrophobicContact CB-CG2 4.46Å; I288-V331 HydrophobicContact CG1-CG1 4.17Å; I288-V331 HydrophobicContact CG2-CG2 4.1Å; I327-V331 HydrophobicContact CG2-CG2 4.31Å; I327-V331 WeakPolarHBondContact O-CG2 3.46Å; I327-V331 PolarHBondContact O-N 2.9Å; N328-V331 PolarHBondContact O-N 3.23Å; V331-S334 PolarHBondContact O-OG 2.97Å; V331-L335 VanDerWaalsContact O-CB 3.27Å; V331-L335 WeakPolarHBondContact O-CB 3.22Å; V331-L335 PolarHBondContact O-N 3.45Å; V331-I562 HydrophobicContact CG1-CD1 4.37Å |
| 332 | G | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A281 N328 L335 Y336 | A281-G332 VanDerWaalsContact O-CA 3.31Å; A281-G332 WeakPolarHBondContact O-CA 3.34Å; N328-G332 PolarHBondContact O-N 3.21Å; G332-L335 PolarHBondContact O-N 3.38Å; G332-Y336 WeakPolarHBondContact O-CB 3.3Å; G332-Y336 PolarHBondContact O-N 3.42Å |
| 333 | G | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G329 Y336 A337 R407 | G329-G333 VanDerWaalsContact O-CA 3.3Å; G329-G333 WeakPolarHBondContact O-CA 3.48Å; G329-G333 PolarHBondContact O-N 3.09Å; G333-Y336 PolarHBondContact O-N 2.95Å; G333-A337 WeakPolarHBondContact O-CB 3.42Å; G333-A337 PolarHBondContact O-N 2.92Å; G333-R407 VanDerWaalsContact O-CG 3.26Å; G333-R407 WeakPolarHBondContact O-CG 3.27Å |
| 334 | S | 96.4 | Very high | 95.5 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 9% | 0.091 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 176.8 | 62.3 | 0 | 0 | 0 | 0 | 112 | L330 V331 A337 R338 G406 | L330-S334 WeakPolarHBondContact O-CB 2.89Å; L330-S334 PolarHBondContact O-N 3.22Å; L330-S334 PolarHBondContact O-OG 3.41Å; V331-S334 PolarHBondContact O-OG 2.97Å; S334-A337 PolarHBondContact O-N 2.92Å; S334-R338 WeakPolarHBondContact O-CB 3.34Å; S334-R338 VanDerWaalsContact O-CG 3.3Å; S334-R338 WeakPolarHBondContact O-CG 3.17Å; S334-R338 PolarHBondContact O-N 3.24Å; S334-G406 WeakPolarHBondContact CA-O 3.26Å; S334-G406 WeakPolarHBondContact CB-O 3.21Å |
| 335 | L | 96 | Very high | 95.5 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | 179.7 | -175.6 | 58.4 | 0 | 0 | 0 | 111.8 | A281 V284 V331 G332 R338 M339 Y561 | A281-L335 HydrophobicContact CB-CB 4.36Å; A281-L335 HydrophobicContact CB-CD2 4.4Å; A281-L335 HydrophobicContact CB-CG 4.35Å; V284-L335 HydrophobicContact CB-CD2 3.86Å; V284-L335 HydrophobicContact CG1-CD2 3.81Å; V284-L335 HydrophobicContact CG2-CD2 4.12Å; V331-L335 VanDerWaalsContact O-CB 3.27Å; V331-L335 WeakPolarHBondContact O-CB 3.22Å; V331-L335 PolarHBondContact O-N 3.45Å; G332-L335 PolarHBondContact O-N 3.38Å; L335-R338 PolarHBondContact O-N 3.42Å; L335-M339 HydrophobicContact CD1-CE 3.67Å; L335-M339 HydrophobicContact CD2-CE 4.13Å; L335-M339 HydrophobicContact CG-CE 3.7Å; L335-M339 HydrophobicContact CG-SD 4.47Å; L335-M339 WeakPolarHBondContact O-CG 3.38Å; L335-M339 PolarHBondContact O-N 3.3Å; L335-M339 VanDerWaalsContact O-N 3.1Å; L335-Y561 HydrophobicContact CD1-CE1 3.81Å; L335-Y561 HydrophobicContact CD2-CD1 4.12Å; L335-Y561 HydrophobicContact CD2-CE1 3.44Å; L335-Y561 VanDerWaalsContact CD2-CE1 3.44Å; L335-Y561 HydrophobicContact CG-CE1 4.26Å |
| 336 | Y | 96.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 53 Ų | 53 | 7% | 0.067 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 177.8 | -173.5 | -115.1 | 0 | 0 | 0 | 112.6 | A281 G332 G333 M339 G341 R343 W344 Q347 | A281-Y336 HydrophobicContact CB-CD2 4.39Å; G332-Y336 WeakPolarHBondContact O-CB 3.3Å; G332-Y336 PolarHBondContact O-N 3.42Å; G333-Y336 PolarHBondContact O-N 2.95Å; Y336-M339 PolarHBondContact O-N 3.08Å; Y336-G341 VanDerWaalsContact CE1-C 3.45Å; Y336-G341 VanDerWaalsContact CE1-CA 3.5Å; Y336-G341 WeakPolarHBondContact CE1-O 3.29Å; Y336-G341 WeakPolarHBondContact O-CA 3.23Å; Y336-G341 PolarHBondContact O-N 2.83Å; Y336-R343 PolarHBondContact OH-N 3.2Å; Y336-W344 HydrophobicContact CD1-CB 4.45Å; Y336-W344 HydrophobicContact CE1-CB 4.44Å; Y336-Q347 HydrophobicContact CD1-CB 3.78Å; Y336-Q347 HydrophobicContact CD1-CG 4.02Å; Y336-Q347 HydrophobicContact CD2-CB 4.39Å; Y336-Q347 HydrophobicContact CD2-CG 4.16Å; Y336-Q347 HydrophobicContact CE1-CB 4.02Å; Y336-Q347 HydrophobicContact CG-CB 4Å; Y336-Q347 HydrophobicContact CG-CG 3.75Å |
| 337 | A | 95.6 | Very high | 95.4 | Very high | 17 Ų | 17 | 51.3 Ų | 51.3 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G333 S334 M339 S340 R407 G411 | G333-A337 WeakPolarHBondContact O-CB 3.42Å; G333-A337 PolarHBondContact O-N 2.92Å; S334-A337 PolarHBondContact O-N 2.92Å; A337-M339 PolarHBondContact O-N 2.99Å; A337-S340 PolarHBondContact O-N 2.88Å; A337-R407 HydrophobicContact CB-CB 4.42Å; A337-R407 HydrophobicContact CB-CG 4.17Å; A337-G411 CarbonylContact C-O 3.58Å; A337-G411 VanDerWaalsContact C-O 3.31Å; A337-G411 VanDerWaalsContact CB-CA 3.46Å |
| 338 | R | 93.5 | Very high | 95.4 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 20% | 0.204 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -28.1 | 176.6 | -74.5 | 168.1 | 58.9 | -173.2 | -3.5 | 113.4 | S334 L335 S340 F410 G411 A413 F415 N565 R569 | S334-R338 WeakPolarHBondContact O-CB 3.34Å; S334-R338 VanDerWaalsContact O-CG 3.3Å; S334-R338 WeakPolarHBondContact O-CG 3.17Å; S334-R338 PolarHBondContact O-N 3.24Å; L335-R338 PolarHBondContact O-N 3.42Å; R338-S340 PolarHBondContact O-N 3.4Å; R338-F410 VanDerWaalsContact CD-O 3.3Å; R338-F410 WeakPolarHBondContact CD-O 3.3Å; R338-G411 PolarHBondContact N-O 2.93Å; R338-A413 WeakPolarHBondContact O-CB 3.46Å; R338-F415 WeakPolarHBondContact O-CZ 3.33Å; R338-N565 PolarHBondContact NH2-ND2 3.37Å; R338-N565 VanDerWaalsContact NH2-ND2 3.16Å; R338-R569 VanDerWaalsContact NH2-NH2 3.14Å |
| 339 | M | 92.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 6% | 0.064 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 21.2 | 172.5 | -64.2 | 172.7 | -178.4 | 0 | 0 | 112.8 | S273 P274 L280 L335 Y336 A337 G341 Y561 | S273-M339 PolarHBondContact OG-O 3.36Å; P274-M339 HydrophobicContact CG-CE 4.11Å; P274-M339 HydrophobicContact CG-SD 3.96Å; L280-M339 HydrophobicContact CD2-CE 3.98Å; L335-M339 HydrophobicContact CD1-CE 3.67Å; L335-M339 HydrophobicContact CD2-CE 4.13Å; L335-M339 HydrophobicContact CG-CE 3.7Å; L335-M339 HydrophobicContact CG-SD 4.47Å; L335-M339 WeakPolarHBondContact O-CG 3.38Å; L335-M339 PolarHBondContact O-N 3.3Å; L335-M339 VanDerWaalsContact O-N 3.1Å; Y336-M339 PolarHBondContact O-N 3.08Å; A337-M339 PolarHBondContact O-N 2.99Å; M339-G341 PolarHBondContact O-N 2.96Å; M339-G341 VanDerWaalsContact O-N 3.13Å; M339-Y561 WeakPolarHBondContact CE-OH 3.44Å |
| 340 | S | 89.9 | Confident | 95.4 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 63% | 0.629 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 26.9 | -178.2 | 67.8 | 0 | 0 | 0 | 0 | 114.7 | A337 R338 K342 | A337-S340 PolarHBondContact O-N 2.88Å; R338-S340 PolarHBondContact O-N 3.4Å; S340-K342 PolarHBondContact O-N 3.49Å |
| 341 | G | 90.2 | Very high | 95.3 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | trans | -71.9 | 117 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y336 M339 | Y336-G341 VanDerWaalsContact CE1-C 3.45Å; Y336-G341 VanDerWaalsContact CE1-CA 3.5Å; Y336-G341 WeakPolarHBondContact CE1-O 3.29Å; Y336-G341 WeakPolarHBondContact O-CA 3.23Å; Y336-G341 PolarHBondContact O-N 2.83Å; M339-G341 PolarHBondContact O-N 2.96Å; M339-G341 VanDerWaalsContact O-N 3.13Å | ||
| 342 | K | 91.2 | Very high | 95.2 | Very high | 192 Ų | 192 | 51.6 Ų | 51.6 | 84% | 0.835 | 24% | 0.239 | S | C | * | . | trans | -83.4 | -37.1 | -179.3 | -62.5 | -174.8 | 179.6 | -177.9 | 0 | 113.9 | S340 W344 | S340-K342 PolarHBondContact O-N 3.49Å; K342-W344 VanDerWaalsContact C-N 3.29Å; K342-W344 PolarHBondContact O-N 2.83Å | ||
| 343 | R | 94.9 | Very high | 95.1 | Very high | 176 Ų | 176 | 54.3 Ų | 54.3 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | trans | -87.4 | 61.5 | -172.7 | -63.4 | -176.5 | -174.9 | 177.3 | 2.4 | 112 | Y336 I345 R346 Q347 | Y336-R343 PolarHBondContact OH-N 3.2Å; R343-I345 PolarHBondContact O-N 3.41Å; R343-R346 HydrophobicContact CB-CB 4.39Å; R343-R346 PolarHBondContact O-N 3.31Å; R343-Q347 PolarHBondContact O-N 3.32Å | ||
| 344 | W | 95.1 | Very high | 95 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 35% | 0.345 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.9 | -33.8 | -170.1 | 68.8 | -92.3 | 0 | 0 | 0 | 114.1 | Y336 K342 R346 Q347 F348 L400 T403 | Y336-W344 HydrophobicContact CD1-CB 4.45Å; Y336-W344 HydrophobicContact CE1-CB 4.44Å; K342-W344 VanDerWaalsContact C-N 3.29Å; K342-W344 PolarHBondContact O-N 2.83Å; W344-R346 VanDerWaalsContact C-N 3.27Å; W344-R346 PolarHBondContact O-N 3.04Å; W344-Q347 PolarHBondContact O-N 2.93Å; W344-Q347 VanDerWaalsContact O-N 3.14Å; W344-F348 WeakPolarHBondContact O-CB 3.25Å; W344-F348 PolarHBondContact O-N 3.03Å; W344-L400 HydrophobicContact CZ3-CD1 4.12Å; W344-T403 HydrophobicContact CE3-CG2 4.44Å |
| 345 | I | 96.9 | Very high | 94.9 | Very high | 94 Ų | 94 | 56 Ų | 56 | 48% | 0.482 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 176 | -60.5 | 172.9 | 0 | 0 | 0 | 110.7 | R343 F348 L349 | R343-I345 PolarHBondContact O-N 3.41Å; I345-F348 WeakPolarHBondContact O-CB 3.43Å; I345-F348 PolarHBondContact O-N 3.43Å; I345-L349 HydrophobicContact CG2-CD1 4.21Å; I345-L349 WeakPolarHBondContact O-CG 3.47Å; I345-L349 PolarHBondContact O-N 3.34Å |
| 346 | R | 96.1 | Very high | 94.9 | Very high | 157 Ų | 157 | 56.1 Ų | 56.1 | 59% | 0.592 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -66 | -40 | 176.6 | -176.5 | 178.5 | 176 | -178.7 | -1.1 | 111.6 | R343 W344 M350 | R343-R346 HydrophobicContact CB-CB 4.39Å; R343-R346 PolarHBondContact O-N 3.31Å; W344-R346 VanDerWaalsContact C-N 3.27Å; W344-R346 PolarHBondContact O-N 3.04Å; R346-M350 VanDerWaalsContact O-CB 3.25Å; R346-M350 WeakPolarHBondContact O-CB 3.4Å; R346-M350 PolarHBondContact O-N 3.22Å |
| 347 | Q | 96.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 175.8 | -179.1 | -80.7 | -42.9 | 0 | 0 | 111.3 | A281 S282 Y336 R343 W344 M350 G351 | A281-Q347 HydrophobicContact CB-CG 4.34Å; S282-Q347 PolarHBondContact OG-NE2 2.87Å; S282-Q347 PolarHBondContact OG-O 2.96Å; Y336-Q347 HydrophobicContact CD1-CB 3.78Å; Y336-Q347 HydrophobicContact CD1-CG 4.02Å; Y336-Q347 HydrophobicContact CD2-CB 4.39Å; Y336-Q347 HydrophobicContact CD2-CG 4.16Å; Y336-Q347 HydrophobicContact CE1-CB 4.02Å; Y336-Q347 HydrophobicContact CG-CB 4Å; Y336-Q347 HydrophobicContact CG-CG 3.75Å; R343-Q347 PolarHBondContact O-N 3.32Å; W344-Q347 PolarHBondContact O-N 2.93Å; W344-Q347 VanDerWaalsContact O-N 3.14Å; Q347-M350 PolarHBondContact O-N 3.46Å; Q347-G351 PolarHBondContact O-N 3.44Å |
| 348 | F | 97.3 | Very high | 94.8 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -53.4 | -56.5 | 173.4 | 154.5 | -114.6 | 0 | 0 | 0 | 111.3 | W344 I345 M350 G351 A352 I396 N399 L400 T403 | W344-F348 WeakPolarHBondContact O-CB 3.25Å; W344-F348 PolarHBondContact O-N 3.03Å; I345-F348 WeakPolarHBondContact O-CB 3.43Å; I345-F348 PolarHBondContact O-N 3.43Å; F348-M350 VanDerWaalsContact C-N 3.28Å; F348-M350 PolarHBondContact O-N 3.48Å; F348-G351 PolarHBondContact O-N 3.5Å; F348-A352 HydrophobicContact CD2-CB 4.45Å; F348-A352 HydrophobicContact CE2-CB 4.11Å; F348-A352 WeakPolarHBondContact O-CB 3.33Å; F348-A352 PolarHBondContact O-N 3.16Å; F348-I396 HydrophobicContact CE2-CG2 4.42Å; F348-I396 WeakPolarHBondContact CE2-O 3.32Å; F348-I396 HydrophobicContact CZ-CG2 3.69Å; F348-N399 HydrophobicContact CE2-CB 4.24Å; F348-L400 HydrophobicContact CD1-CD1 4.16Å; F348-L400 HydrophobicContact CD2-CB 4.35Å; F348-L400 HydrophobicContact CD2-CD1 4.29Å; F348-L400 HydrophobicContact CE1-CD1 4.06Å; F348-L400 VanDerWaalsContact CE2-CA 3.5Å; F348-L400 HydrophobicContact CE2-CB 3.63Å; F348-L400 HydrophobicContact CE2-CD1 4.19Å; F348-L400 HydrophobicContact CG-CD1 4.27Å; F348-L400 HydrophobicContact CZ-CB 3.73Å; F348-L400 HydrophobicContact CZ-CD1 4.06Å; F348-L400 HydrophobicContact CZ-CG 4.38Å; F348-T403 HydrophobicContact CB-CG2 4.12Å |
| 349 | L | 97 | Very high | 94.9 | Very high | 83 Ų | 83 | 64.3 Ų | 64.3 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.6 | -44.3 | -179.4 | -73.8 | 171.7 | 0 | 0 | 0 | 110.7 | I345 G351 A352 T353 | I345-L349 HydrophobicContact CG2-CD1 4.21Å; I345-L349 WeakPolarHBondContact O-CG 3.47Å; I345-L349 PolarHBondContact O-N 3.34Å; L349-G351 PolarHBondContact O-N 2.91Å; L349-A352 PolarHBondContact O-N 3.08Å; L349-T353 WeakPolarHBondContact O-CG2 3.35Å; L349-T353 PolarHBondContact O-N 3.01Å; L349-T353 PolarHBondContact O-OG1 3.08Å |
| 350 | M | 96.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 65.9 Ų | 65.9 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 177.4 | -170.9 | 173.6 | -160 | 0 | 0 | 112.6 | L279 R346 Q347 F348 L354 | L279-M350 HydrophobicContact CB-CE 3.77Å; L279-M350 HydrophobicContact CB-SD 4.15Å; L279-M350 HydrophobicContact CD1-CE 3.21Å; L279-M350 HydrophobicContact CD1-SD 4.36Å; L279-M350 HydrophobicContact CG-CE 3.99Å; R346-M350 VanDerWaalsContact O-CB 3.25Å; R346-M350 WeakPolarHBondContact O-CB 3.4Å; R346-M350 PolarHBondContact O-N 3.22Å; Q347-M350 PolarHBondContact O-N 3.46Å; F348-M350 VanDerWaalsContact C-N 3.28Å; F348-M350 PolarHBondContact O-N 3.48Å; M350-L354 WeakPolarHBondContact O-CB 3.16Å; M350-L354 PolarHBondContact O-N 3.43Å |
| 351 | G | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S282 N328 Q347 F348 L349 | S282-G351 PolarHBondContact OG-N 2.92Å; N328-G351 PolarHBondContact ND2-O 3.01Å; Q347-G351 PolarHBondContact O-N 3.44Å; F348-G351 PolarHBondContact O-N 3.5Å; L349-G351 PolarHBondContact O-N 2.91Å |
| 352 | A | 96.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 64.9 Ų | 64.9 | 2% | 0.017 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -75.7 | -34.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.4 | F348 L349 P356 I396 N399 | F348-A352 HydrophobicContact CD2-CB 4.45Å; F348-A352 HydrophobicContact CE2-CB 4.11Å; F348-A352 WeakPolarHBondContact O-CB 3.33Å; F348-A352 PolarHBondContact O-N 3.16Å; L349-A352 PolarHBondContact O-N 3.08Å; A352-P356 WeakPolarHBondContact O-CG 3.42Å; A352-I396 HydrophobicContact CB-CG1 4.25Å; A352-N399 WeakPolarHBondContact CA-ND2 3.35Å; A352-N399 HydrophobicContact CB-CB 4.18Å; A352-N399 WeakPolarHBondContact CB-ND2 3.35Å |
| 353 | T | 95.1 | Very high | 95.3 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -106.7 | -22.4 | -171.4 | 67.7 | 0 | 0 | 0 | 0 | 114.7 | L349 L355 P356 F357 I396 | L349-T353 WeakPolarHBondContact O-CG2 3.35Å; L349-T353 PolarHBondContact O-N 3.01Å; L349-T353 PolarHBondContact O-OG1 3.08Å; T353-L355 PolarHBondContact O-N 2.9Å; T353-P356 WeakPolarHBondContact O-CD 3.19Å; T353-F357 WeakPolarHBondContact O-CB 3.17Å; T353-F357 PolarHBondContact O-N 3.25Å; T353-I396 HydrophobicContact CG2-CD1 4.12Å |
| 354 | L | 94.4 | Very high | 95.2 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.8 | -53.8 | -170.5 | -177.9 | 70.6 | 0 | 0 | 0 | 113.1 | L279 L283 M350 L358 | L279-L354 HydrophobicContact CD1-CD2 4.1Å; L283-L354 HydrophobicContact CD2-CD2 3.62Å; L283-L354 HydrophobicContact CG-CD2 4.46Å; M350-L354 WeakPolarHBondContact O-CB 3.16Å; M350-L354 PolarHBondContact O-N 3.43Å; L354-L358 HydrophobicContact CD1-CD1 4.37Å; L354-L358 HydrophobicContact CG-CD1 4.29Å; L354-L358 VanDerWaalsContact O-CG 3.23Å; L354-L358 WeakPolarHBondContact O-CG 3.49Å; L354-L358 PolarHBondContact O-N 2.9Å; L354-L358 VanDerWaalsContact O-N 3.08Å |
| 355 | L | 95.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.5 | -50.7 | 179.9 | 174.2 | 73.8 | 0 | 0 | 0 | 112.3 | T286 I290 F321 T353 F357 L358 I359 L550 L554 | T286-L355 HydrophobicContact CG2-CB 3.63Å; T286-L355 HydrophobicContact CG2-CD2 3.65Å; T286-L355 HydrophobicContact CG2-CG 4.18Å; I290-L355 HydrophobicContact CD1-CD2 3.8Å; I290-L355 HydrophobicContact CG1-CD2 3.94Å; F321-L355 HydrophobicContact CE2-CD2 4.05Å; F321-L355 HydrophobicContact CZ-CD2 4.32Å; T353-L355 PolarHBondContact O-N 2.9Å; L355-F357 VanDerWaalsContact C-N 3.25Å; L355-F357 PolarHBondContact O-N 3.42Å; L355-L358 PolarHBondContact O-N 3.33Å; L355-L358 VanDerWaalsContact O-N 3.16Å; L355-I359 HydrophobicContact CD1-CD1 3.86Å; L355-I359 HydrophobicContact CD1-CG1 4.2Å; L355-I359 HydrophobicContact CD2-CD1 4.43Å; L355-I359 HydrophobicContact CG-CD1 3.82Å; L355-I359 HydrophobicContact CG-CG1 4.48Å; L355-I359 WeakPolarHBondContact O-CG1 3.42Å; L355-I359 PolarHBondContact O-N 3.36Å; L355-L550 HydrophobicContact CD1-CD2 3.51Å; L355-L554 HydrophobicContact CD1-CD1 4.04Å |
| 356 | P | 95.3 | Very high | 95 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 8% | 0.078 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.6 | -39.9 | 176.8 | -27.1 | 35.8 | 0 | 0 | 0 | 112.9 | F321 A352 T353 I359 C360 I391 | F321-P356 HydrophobicContact CE1-CG 4.5Å; F321-P356 HydrophobicContact CZ-CG 4.37Å; A352-P356 WeakPolarHBondContact O-CG 3.42Å; T353-P356 WeakPolarHBondContact O-CD 3.19Å; P356-I359 PolarHBondContact O-N 2.89Å; P356-C360 VanDerWaalsContact O-CB 3.32Å; P356-C360 WeakPolarHBondContact O-CB 3.4Å; P356-C360 PolarHBondContact O-N 2.72Å; P356-C360 PolarHBondContact O-SG 2.94Å; P356-I391 HydrophobicContact CB-CD1 3.83Å; P356-I391 HydrophobicContact CB-CG1 4.27Å; P356-I391 HydrophobicContact CB-CG2 4.27Å |
| 357 | F | 94.7 | Very high | 94.9 | Very high | 132 Ų | 132 | 43.4 Ų | 43.4 | 58% | 0.579 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -62.4 | -46.5 | 176.4 | 179.5 | -99.3 | 0 | 0 | 0 | 111.9 | T353 L355 I359 C360 C361 | T353-F357 WeakPolarHBondContact O-CB 3.17Å; T353-F357 PolarHBondContact O-N 3.25Å; L355-F357 VanDerWaalsContact C-N 3.25Å; L355-F357 PolarHBondContact O-N 3.42Å; F357-I359 VanDerWaalsContact C-N 3.32Å; F357-I359 PolarHBondContact O-N 2.96Å; F357-C360 PolarHBondContact O-N 3.48Å; F357-C361 VanDerWaalsContact CE2-SG 3.54Å; F357-C361 WeakPolarHBondContact CZ-SG 3.46Å; F357-C361 VanDerWaalsContact O-CB 3.28Å; F357-C361 WeakPolarHBondContact O-CB 3.22Å; F357-C361 PolarHBondContact O-N 2.65Å; F357-C361 PolarHBondContact O-SG 3.43Å |
| 358 | L | 95.1 | Very high | 94.7 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 178.2 | -71.4 | 172 | 0 | 0 | 0 | 112.2 | L354 L355 S362 L550 | L354-L358 HydrophobicContact CD1-CD1 4.37Å; L354-L358 HydrophobicContact CG-CD1 4.29Å; L354-L358 VanDerWaalsContact O-CG 3.23Å; L354-L358 WeakPolarHBondContact O-CG 3.49Å; L354-L358 PolarHBondContact O-N 2.9Å; L354-L358 VanDerWaalsContact O-N 3.08Å; L355-L358 PolarHBondContact O-N 3.33Å; L355-L358 VanDerWaalsContact O-N 3.16Å; L358-S362 WeakPolarHBondContact O-CB 3.46Å; L358-S362 PolarHBondContact O-N 3.1Å; L358-S362 VanDerWaalsContact O-N 3.08Å; L358-S362 PolarHBondContact O-OG 3.44Å; L358-S362 VanDerWaalsContact O-OG 3.08Å; L358-L550 HydrophobicContact CD1-CD1 3.96Å |
| 359 | I | 95.3 | Very high | 94.5 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 30% | 0.303 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.6 | -50.9 | 175.7 | -65.3 | 170.1 | 0 | 0 | 0 | 110.5 | L355 P356 F357 C361 S362 T363 L547 | L355-I359 HydrophobicContact CD1-CD1 3.86Å; L355-I359 HydrophobicContact CD1-CG1 4.2Å; L355-I359 HydrophobicContact CD2-CD1 4.43Å; L355-I359 HydrophobicContact CG-CD1 3.82Å; L355-I359 HydrophobicContact CG-CG1 4.48Å; L355-I359 WeakPolarHBondContact O-CG1 3.42Å; L355-I359 PolarHBondContact O-N 3.36Å; P356-I359 PolarHBondContact O-N 2.89Å; F357-I359 VanDerWaalsContact C-N 3.32Å; F357-I359 PolarHBondContact O-N 2.96Å; I359-C361 VanDerWaalsContact C-N 3.32Å; I359-C361 PolarHBondContact O-N 3.5Å; I359-S362 PolarHBondContact O-N 3.38Å; I359-S362 PolarHBondContact O-OG 2.9Å; I359-T363 VanDerWaalsContact O-CB 3.27Å; I359-T363 WeakPolarHBondContact O-CB 3.4Å; I359-T363 PolarHBondContact O-N 3.49Å; I359-T363 PolarHBondContact O-OG1 3.13Å; I359-T363 VanDerWaalsContact O-OG1 3.05Å; I359-L547 HydrophobicContact CG1-CD2 4.09Å |
| 360 | C | 94.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 31% | 0.311 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.7 | -41.5 | -179.8 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | P356 F357 F364 | P356-C360 VanDerWaalsContact O-CB 3.32Å; P356-C360 WeakPolarHBondContact O-CB 3.4Å; P356-C360 PolarHBondContact O-N 2.72Å; P356-C360 PolarHBondContact O-SG 2.94Å; F357-C360 PolarHBondContact O-N 3.48Å; C360-F364 WeakPolarHBondContact O-CB 3Å; C360-F364 PolarHBondContact O-N 2.93Å |
| 361 | C | 93.3 | Very high | 94.1 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 32% | 0.324 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.4 | -47.5 | 177.7 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | F357 I359 F364 L365 | F357-C361 VanDerWaalsContact CE2-SG 3.54Å; F357-C361 WeakPolarHBondContact CZ-SG 3.46Å; F357-C361 VanDerWaalsContact O-CB 3.28Å; F357-C361 WeakPolarHBondContact O-CB 3.22Å; F357-C361 PolarHBondContact O-N 2.65Å; F357-C361 PolarHBondContact O-SG 3.43Å; I359-C361 VanDerWaalsContact C-N 3.32Å; I359-C361 PolarHBondContact O-N 3.5Å; C361-F364 PolarHBondContact O-N 3.25Å; C361-L365 VanDerWaalsContact O-CG 3.31Å; C361-L365 WeakPolarHBondContact O-CG 3.44Å; C361-L365 PolarHBondContact O-N 3.33Å |
| 362 | S | 93.4 | Very high | 93.9 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | 179.6 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | L358 I359 F364 L365 V366 L547 | L358-S362 WeakPolarHBondContact O-CB 3.46Å; L358-S362 PolarHBondContact O-N 3.1Å; L358-S362 VanDerWaalsContact O-N 3.08Å; L358-S362 PolarHBondContact O-OG 3.44Å; L358-S362 VanDerWaalsContact O-OG 3.08Å; I359-S362 PolarHBondContact O-N 3.38Å; I359-S362 PolarHBondContact O-OG 2.9Å; S362-F364 VanDerWaalsContact C-N 3.33Å; S362-F364 PolarHBondContact O-N 3.08Å; S362-L365 PolarHBondContact O-N 2.91Å; S362-V366 WeakPolarHBondContact O-CG2 3.42Å; S362-V366 PolarHBondContact O-N 3.06Å; S362-L547 WeakPolarHBondContact OG-CD1 3.28Å; S362-L547 VanDerWaalsContact OG-CD2 3.3Å; S362-L547 WeakPolarHBondContact OG-CD2 3.23Å; S362-L547 WeakPolarHBondContact OG-CG 3.28Å |
| 363 | T | 92.8 | Very high | 93.6 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 15% | 0.153 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.5 | -62.3 | 0 | 0 | 0 | 0 | 111 | I359 V366 N367 I379 | I359-T363 VanDerWaalsContact O-CB 3.27Å; I359-T363 WeakPolarHBondContact O-CB 3.4Å; I359-T363 PolarHBondContact O-N 3.49Å; I359-T363 PolarHBondContact O-OG1 3.13Å; I359-T363 VanDerWaalsContact O-OG1 3.05Å; T363-V366 PolarHBondContact O-N 2.75Å; T363-N367 VanDerWaalsContact O-CB 3.22Å; T363-N367 WeakPolarHBondContact O-CB 3.2Å; T363-N367 PolarHBondContact O-N 3.47Å; T363-I379 HydrophobicContact CG2-CD1 3.39Å |
| 364 | F | 93.3 | Very high | 93.3 | Very high | 106 Ų | 106 | 66.2 Ų | 66.2 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.5 | 178.8 | -100.9 | 0 | 0 | 0 | 112 | C360 C361 S362 N367 L368 M384 | C360-F364 WeakPolarHBondContact O-CB 3Å; C360-F364 PolarHBondContact O-N 2.93Å; C361-F364 PolarHBondContact O-N 3.25Å; S362-F364 VanDerWaalsContact C-N 3.33Å; S362-F364 PolarHBondContact O-N 3.08Å; F364-N367 CarbonylContact O-C 3.31Å; F364-N367 WeakPolarHBondContact O-CA 3.45Å; F364-N367 WeakPolarHBondContact O-CB 3.47Å; F364-N367 PolarHBondContact O-N 3.22Å; F364-N367 VanDerWaalsContact O-N 3.11Å; F364-L368 HydrophobicContact CD1-CD1 4.29Å; F364-L368 HydrophobicContact CD1-CG 4.43Å; F364-L368 HydrophobicContact CE1-CD1 3.83Å; F364-L368 HydrophobicContact CE1-CD2 4.21Å; F364-L368 HydrophobicContact CE1-CG 4.08Å; F364-L368 HydrophobicContact CE2-CD2 4.43Å; F364-L368 HydrophobicContact CZ-CD1 4.39Å; F364-L368 HydrophobicContact CZ-CD2 3.93Å; F364-L368 HydrophobicContact CZ-CG 4.28Å; F364-L368 WeakPolarHBondContact O-CG 3.43Å; F364-L368 PolarHBondContact O-N 3.02Å; F364-M384 HydrophobicContact CD2-SD 4.44Å |
| 365 | L | 93.1 | Very high | 93 | Very high | 108 Ų | 108 | 64.2 Ų | 64.2 | 57% | 0.565 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.7 | -43.8 | 176.6 | -70 | 172.6 | 0 | 0 | 0 | 112.3 | C361 S362 N367 L368 | C361-L365 VanDerWaalsContact O-CG 3.31Å; C361-L365 WeakPolarHBondContact O-CG 3.44Å; C361-L365 PolarHBondContact O-N 3.33Å; S362-L365 PolarHBondContact O-N 2.91Å; L365-N367 PolarHBondContact O-N 3.32Å; L365-L368 HydrophobicContact CD2-CD1 4.36Å; L365-L368 PolarHBondContact O-N 3.49Å |
| 366 | V | 93.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.067 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.7 | -38.3 | 173 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | S362 T363 L368 V369 A370 T539 F540 Y544 | S362-V366 WeakPolarHBondContact O-CG2 3.42Å; S362-V366 PolarHBondContact O-N 3.06Å; T363-V366 PolarHBondContact O-N 2.75Å; V366-L368 PolarHBondContact O-N 2.99Å; V366-V369 PolarHBondContact O-N 3.46Å; V366-A370 PolarHBondContact O-N 3.26Å; V366-T539 HydrophobicContact CG2-CG2 4.22Å; V366-F540 HydrophobicContact CG1-CB 4.31Å; V366-F540 HydrophobicContact CG1-CD2 3.71Å; V366-F540 HydrophobicContact CG1-CE2 4.47Å; V366-F540 HydrophobicContact CG1-CG 4.35Å; V366-Y544 HydrophobicContact CG1-CE2 4.22Å |
| 367 | N | 93.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68 | -32 | 179.5 | -162 | 65.9 | 0 | 0 | 0 | 113.4 | T363 F364 L365 V369 A370 I371 S378 I379 M384 | T363-N367 VanDerWaalsContact O-CB 3.22Å; T363-N367 WeakPolarHBondContact O-CB 3.2Å; T363-N367 PolarHBondContact O-N 3.47Å; F364-N367 CarbonylContact O-C 3.31Å; F364-N367 WeakPolarHBondContact O-CA 3.45Å; F364-N367 WeakPolarHBondContact O-CB 3.47Å; F364-N367 PolarHBondContact O-N 3.22Å; F364-N367 VanDerWaalsContact O-N 3.11Å; L365-N367 PolarHBondContact O-N 3.32Å; N367-V369 VanDerWaalsContact C-N 3.28Å; N367-V369 PolarHBondContact O-N 2.77Å; N367-A370 WeakPolarHBondContact O-CB 3.07Å; N367-A370 PolarHBondContact O-N 2.89Å; N367-A370 VanDerWaalsContact O-N 3.16Å; N367-I371 VanDerWaalsContact ND2-CD1 3.35Å; N367-I371 WeakPolarHBondContact ND2-CD1 3.46Å; N367-I371 VanDerWaalsContact O-CG1 3.31Å; N367-I371 WeakPolarHBondContact O-CG1 3.3Å; N367-I371 PolarHBondContact O-N 3.2Å; N367-S378 WeakPolarHBondContact OD1-CA 3.18Å; N367-I379 PolarHBondContact OD1-N 3.04Å; N367-M384 HydrophobicContact CB-CE 3.75Å; N367-M384 WeakPolarHBondContact ND2-CE 3.23Å |
| 368 | L | 93.9 | Very high | 91.9 | Very high | 84 Ų | 84 | 62.6 Ų | 62.6 | 44% | 0.44 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 172.8 | -69.3 | 177.3 | 0 | 0 | 0 | 111.3 | F364 L365 V366 Y372 | F364-L368 HydrophobicContact CD1-CD1 4.29Å; F364-L368 HydrophobicContact CD1-CG 4.43Å; F364-L368 HydrophobicContact CE1-CD1 3.83Å; F364-L368 HydrophobicContact CE1-CD2 4.21Å; F364-L368 HydrophobicContact CE1-CG 4.08Å; F364-L368 HydrophobicContact CE2-CD2 4.43Å; F364-L368 HydrophobicContact CZ-CD1 4.39Å; F364-L368 HydrophobicContact CZ-CD2 3.93Å; F364-L368 HydrophobicContact CZ-CG 4.28Å; F364-L368 WeakPolarHBondContact O-CG 3.43Å; F364-L368 PolarHBondContact O-N 3.02Å; L365-L368 HydrophobicContact CD2-CD1 4.36Å; L365-L368 PolarHBondContact O-N 3.49Å; V366-L368 PolarHBondContact O-N 2.99Å; L368-Y372 PolarHBondContact O-N 2.9Å; L368-Y372 VanDerWaalsContact O-N 3.14Å |
| 369 | V | 93.3 | Very high | 91.7 | Very high | 32 Ų | 32 | 60 Ų | 60 | 19% | 0.194 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 174.3 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | V366 N367 I371 Y372 Y373 F536 T539 | V366-V369 PolarHBondContact O-N 3.46Å; N367-V369 VanDerWaalsContact C-N 3.28Å; N367-V369 PolarHBondContact O-N 2.77Å; V369-I371 PolarHBondContact O-N 3.5Å; V369-Y372 PolarHBondContact O-N 3.47Å; V369-Y373 HydrophobicContact CG1-CD2 4.08Å; V369-Y373 HydrophobicContact CG1-CE2 4.13Å; V369-Y373 WeakPolarHBondContact O-CD2 3.49Å; V369-Y373 PolarHBondContact O-N 3Å; V369-F536 HydrophobicContact CG1-CB 4.27Å; V369-F536 HydrophobicContact CG1-CD2 4.15Å; V369-T539 HydrophobicContact CG2-CG2 4.17Å |
| 370 | A | 92.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V366 N367 Y372 Y373 R374 T375 F536 | V366-A370 PolarHBondContact O-N 3.26Å; N367-A370 WeakPolarHBondContact O-CB 3.07Å; N367-A370 PolarHBondContact O-N 2.89Å; N367-A370 VanDerWaalsContact O-N 3.16Å; A370-Y372 PolarHBondContact O-N 3.34Å; A370-Y373 PolarHBondContact O-N 3.5Å; A370-R374 PolarHBondContact O-N 3.1Å; A370-T375 PolarHBondContact O-N 3.43Å; A370-T375 PolarHBondContact O-OG1 2.88Å; A370-F536 HydrophobicContact CB-CD2 4.42Å; A370-F536 HydrophobicContact CB-CE2 3.65Å |
| 371 | I | 91.9 | Very high | 91.2 | Very high | 94 Ų | 94 | 65.4 Ų | 65.4 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 178.2 | -68.8 | 165.8 | 0 | 0 | 0 | 111 | N367 V369 Y373 R374 | N367-I371 VanDerWaalsContact ND2-CD1 3.35Å; N367-I371 WeakPolarHBondContact ND2-CD1 3.46Å; N367-I371 VanDerWaalsContact O-CG1 3.31Å; N367-I371 WeakPolarHBondContact O-CG1 3.3Å; N367-I371 PolarHBondContact O-N 3.2Å; V369-I371 PolarHBondContact O-N 3.5Å; I371-Y373 VanDerWaalsContact C-N 3.26Å; I371-Y373 PolarHBondContact O-N 3.44Å; I371-R374 PolarHBondContact O-N 3.44Å |
| 372 | Y | 91.7 | Very high | 91 | Very high | 187 Ų | 187 | 69.4 Ų | 69.4 | 73% | 0.733 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -58.1 | -40.1 | 177.7 | 177.5 | -97.2 | 0 | 0 | 0 | 112.1 | L368 V369 A370 R374 | L368-Y372 PolarHBondContact O-N 2.9Å; L368-Y372 VanDerWaalsContact O-N 3.14Å; V369-Y372 PolarHBondContact O-N 3.47Å; A370-Y372 PolarHBondContact O-N 3.34Å; Y372-R374 VanDerWaalsContact C-N 3.35Å |
| 373 | Y | 89.4 | Confident | 90.9 | Very high | 75 Ų | 75 | 68.8 Ų | 68.8 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -82 | -8.1 | 175.9 | -81.1 | -95.2 | 0 | 0 | 0 | 113.9 | Y48 V369 A370 I371 T375 F536 | Y48-Y373 WeakPolarHBondContact CE1-O 3.48Å; V369-Y373 HydrophobicContact CG1-CD2 4.08Å; V369-Y373 HydrophobicContact CG1-CE2 4.13Å; V369-Y373 WeakPolarHBondContact O-CD2 3.49Å; V369-Y373 PolarHBondContact O-N 3Å; A370-Y373 PolarHBondContact O-N 3.5Å; I371-Y373 VanDerWaalsContact C-N 3.26Å; I371-Y373 PolarHBondContact O-N 3.44Å; Y373-T375 VanDerWaalsContact C-N 3.28Å; Y373-T375 PolarHBondContact O-N 3.48Å; Y373-F536 HydrophobicContact CD2-CB 3.94Å; Y373-F536 HydrophobicContact CE2-CB 4.04Å; Y373-F536 HydrophobicContact CG-CB 4.25Å |
| 374 | R | 89.1 | Confident | 90.8 | Very high | 214 Ų | 214 | 69.4 Ų | 69.4 | 81% | 0.808 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 39.7 | -172.8 | -57.4 | 179.9 | 177.4 | -89.7 | -0.1 | 113.2 | Y48 A370 I371 Y372 | Y48-R374 WeakPolarHBondContact CD1-O 3.29Å; A370-R374 PolarHBondContact O-N 3.1Å; I371-R374 PolarHBondContact O-N 3.44Å; Y372-R374 VanDerWaalsContact C-N 3.35Å |
| 375 | T | 89.4 | Confident | 90.8 | Very high | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.012 | 33% | 0.325 | C | S | . | . | trans | -75.9 | 149.1 | 177.7 | 61.4 | 0 | 0 | 0 | 0 | 111.3 | E46 T47 Y48 A370 Y373 R377 S378 F536 | E46-T375 HydrophobicContact CG-CG2 4.31Å; T47-T375 CarbonylContact O-C 3.46Å; T47-T375 WeakPolarHBondContact O-CA 3.35Å; T47-T375 WeakPolarHBondContact O-CB 3.24Å; Y48-T375 HydrophobicContact CE1-CG2 3.98Å; A370-T375 PolarHBondContact O-N 3.43Å; A370-T375 PolarHBondContact O-OG1 2.88Å; Y373-T375 VanDerWaalsContact C-N 3.28Å; Y373-T375 PolarHBondContact O-N 3.48Å; T375-R377 PolarHBondContact O-N 3.28Å; T375-S378 VanDerWaalsContact O-CB 3.3Å; T375-S378 WeakPolarHBondContact O-CB 3.33Å; T375-S378 PolarHBondContact O-N 3.18Å; T375-S378 PolarHBondContact O-OG 3.4Å; T375-F536 HydrophobicContact CG2-CD1 4.38Å; T375-F536 HydrophobicContact CG2-CE1 4.21Å; T375-F536 HydrophobicContact CG2-CE2 4.33Å; T375-F536 HydrophobicContact CG2-CZ 4.18Å | ||
| 376 | S | 87.1 | Confident | 90.8 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.6 | 172.4 | 61.1 | 0 | 0 | 0 | 0 | 112.2 | T37 T47 G76 S378 | T37-S376 WeakPolarHBondContact CG2-OG 3.31Å; T47-S376 VanDerWaalsContact C-OG 3.24Å; T47-S376 WeakPolarHBondContact CB-OG 3.47Å; T47-S376 PolarHBondContact O-N 3.48Å; T47-S376 PolarHBondContact O-OG 3.37Å; T47-S376 PolarHBondContact OG1-OG 3Å; G76-S376 VanDerWaalsContact CA-O 3.24Å; G76-S376 WeakPolarHBondContact CA-O 3.29Å; S376-S378 PolarHBondContact O-N 2.92Å |
| 377 | R | 86.5 | Confident | 90.7 | Very high | 68 Ų | 68 | 66.6 Ų | 66.6 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -4 | 169.9 | -78 | -79.7 | -174.1 | 127.8 | 8.1 | 114.5 | Q45 T47 Q75 T375 I379 F536 | Q45-R377 WeakPolarHBondContact O-CG 3.31Å; T47-R377 VanDerWaalsContact OG1-CG 3.25Å; T47-R377 WeakPolarHBondContact OG1-CG 3.4Å; Q75-R377 WeakPolarHBondContact O-CD 3.41Å; Q75-R377 PolarHBondContact O-NE 2.64Å; T375-R377 PolarHBondContact O-N 3.28Å; R377-I379 PolarHBondContact O-N 3.22Å; R377-F536 HydrophobicContact CB-CZ 4.21Å |
| 378 | S | 88.4 | Confident | 90.7 | Very high | 36 Ų | 36 | 69.7 Ų | 69.7 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -67.3 | 121.9 | 170.2 | 63 | 0 | 0 | 0 | 0 | 109.7 | N367 T375 S376 P380 | N367-S378 WeakPolarHBondContact OD1-CA 3.18Å; T375-S378 VanDerWaalsContact O-CB 3.3Å; T375-S378 WeakPolarHBondContact O-CB 3.33Å; T375-S378 PolarHBondContact O-N 3.18Å; T375-S378 PolarHBondContact O-OG 3.4Å; S376-S378 PolarHBondContact O-N 2.92Å; S378-P380 WeakPolarHBondContact O-CD 3.42Å |
| 379 | I | 90.5 | Very high | 90.8 | Very high | 15 Ų | 15 | 67.8 Ų | 67.8 | 8% | 0.077 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 123.1 | 179.5 | -60.1 | 168.2 | 0 | 0 | 0 | 107.6 | L74 T363 N367 R377 T383 M384 | L74-I379 HydrophobicContact CD2-CD1 4.18Å; L74-I379 HydrophobicContact CD2-CG1 4.47Å; L74-I379 HydrophobicContact CD2-CG2 4.14Å; T363-I379 HydrophobicContact CG2-CD1 3.39Å; N367-I379 PolarHBondContact OD1-N 3.04Å; R377-I379 PolarHBondContact O-N 3.22Å; I379-T383 HydrophobicContact CG2-CG2 3.84Å; I379-M384 HydrophobicContact CB-CE 3.78Å; I379-M384 HydrophobicContact CB-CG 4.47Å; I379-M384 HydrophobicContact CG2-CE 4.08Å; I379-M384 HydrophobicContact CG2-CG 3.76Å |
| 380 | P | 89.8 | Confident | 90.9 | Very high | 66 Ų | 66 | 68.5 Ų | 68.5 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 150.6 | -179.7 | 26.8 | -33.1 | 0 | 0 | 0 | 110.9 | S378 L382 T383 M384 | S378-P380 WeakPolarHBondContact O-CD 3.42Å; P380-L382 VanDerWaalsContact C-N 3.28Å; P380-L382 PolarHBondContact O-N 3.39Å; P380-T383 WeakPolarHBondContact CG-OG1 3.42Å; P380-T383 WeakPolarHBondContact O-CB 3.43Å; P380-T383 PolarHBondContact O-N 3.45Å; P380-M384 PolarHBondContact O-N 3.22Å |
| 381 | F | 89.9 | Confident | 91 | Very high | 151 Ų | 151 | 69.8 Ų | 69.8 | 66% | 0.662 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -56.3 | -39.8 | -175.2 | 173.5 | -102.7 | 0 | 0 | 0 | 113.2 | T383 M384 L385 | F381-T383 VanDerWaalsContact C-N 3.3Å; F381-T383 PolarHBondContact O-N 2.91Å; F381-M384 WeakPolarHBondContact O-CB 3.47Å; F381-M384 PolarHBondContact O-N 2.99Å; F381-M384 VanDerWaalsContact O-N 3.15Å; F381-L385 HydrophobicContact CE1-CD2 4.43Å; F381-L385 PolarHBondContact O-N 3.4Å |
| 382 | L | 88.8 | Confident | 91.2 | Very high | 132 Ų | 132 | 69.7 Ų | 69.7 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.8 | -35.7 | 179.3 | -68.8 | 177.3 | 0 | 0 | 0 | 112.4 | P380 L385 S386 | P380-L382 VanDerWaalsContact C-N 3.28Å; P380-L382 PolarHBondContact O-N 3.39Å; L382-L385 PolarHBondContact O-N 3.36Å; L382-S386 WeakPolarHBondContact O-CB 3.38Å; L382-S386 PolarHBondContact O-N 2.83Å |
| 383 | T | 90.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 67.8 Ų | 67.8 | 9% | 0.092 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.8 | -35.6 | 174.5 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | L70 A73 L74 I379 P380 F381 S386 I387 | L70-T383 HydrophobicContact CD1-CG2 3.88Å; A73-T383 HydrophobicContact CB-CG2 4.34Å; L74-T383 HydrophobicContact CD2-CG2 3.63Å; L74-T383 HydrophobicContact CG-CG2 3.87Å; I379-T383 HydrophobicContact CG2-CG2 3.84Å; P380-T383 WeakPolarHBondContact CG-OG1 3.42Å; P380-T383 WeakPolarHBondContact O-CB 3.43Å; P380-T383 PolarHBondContact O-N 3.45Å; F381-T383 VanDerWaalsContact C-N 3.3Å; F381-T383 PolarHBondContact O-N 2.91Å; T383-S386 WeakPolarHBondContact CA-OG 3.44Å; T383-S386 PolarHBondContact O-N 2.95Å; T383-S386 PolarHBondContact O-OG 3.45Å; T383-I387 HydrophobicContact CG2-CD1 4.47Å; T383-I387 WeakPolarHBondContact O-CG1 3.42Å; T383-I387 PolarHBondContact O-N 3.2Å; T383-I387 VanDerWaalsContact O-N 3.14Å |
| 384 | M | 91.6 | Very high | 91.7 | Very high | 39 Ų | 39 | 67 Ų | 67 | 19% | 0.192 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 172.6 | -61.5 | -170 | 167.2 | 0 | 0 | 111.8 | F364 N367 I379 P380 F381 T388 | F364-M384 HydrophobicContact CD2-SD 4.44Å; N367-M384 HydrophobicContact CB-CE 3.75Å; N367-M384 WeakPolarHBondContact ND2-CE 3.23Å; I379-M384 HydrophobicContact CB-CE 3.78Å; I379-M384 HydrophobicContact CB-CG 4.47Å; I379-M384 HydrophobicContact CG2-CE 4.08Å; I379-M384 HydrophobicContact CG2-CG 3.76Å; P380-M384 PolarHBondContact O-N 3.22Å; F381-M384 WeakPolarHBondContact O-CB 3.47Å; F381-M384 PolarHBondContact O-N 2.99Å; F381-M384 VanDerWaalsContact O-N 3.15Å; M384-T388 WeakPolarHBondContact O-CB 3.21Å; M384-T388 PolarHBondContact O-N 3.25Å; M384-T388 PolarHBondContact O-OG1 3.17Å |
| 385 | L | 92.4 | Very high | 92 | Very high | 84 Ų | 84 | 57 Ų | 57 | 44% | 0.44 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 177.4 | -175.4 | 63.2 | 0 | 0 | 0 | 111.6 | F381 L382 T388 S389 | F381-L385 HydrophobicContact CE1-CD2 4.43Å; F381-L385 PolarHBondContact O-N 3.4Å; L382-L385 PolarHBondContact O-N 3.36Å; L385-T388 PolarHBondContact O-N 3.32Å; L385-S389 WeakPolarHBondContact O-CB 3.32Å; L385-S389 PolarHBondContact O-N 2.8Å; L385-S389 PolarHBondContact O-OG 3.04Å |
| 386 | S | 92.2 | Very high | 92.4 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 177.9 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | L70 L382 T383 T388 S389 I390 | L70-S386 WeakPolarHBondContact CD1-OG 3.43Å; L382-S386 WeakPolarHBondContact O-CB 3.38Å; L382-S386 PolarHBondContact O-N 2.83Å; T383-S386 WeakPolarHBondContact CA-OG 3.44Å; T383-S386 PolarHBondContact O-N 2.95Å; T383-S386 PolarHBondContact O-OG 3.45Å; S386-T388 VanDerWaalsContact C-N 3.35Å; S386-T388 PolarHBondContact O-N 2.97Å; S386-S389 WeakPolarHBondContact O-CB 3.18Å; S386-S389 PolarHBondContact O-N 3.31Å; S386-I390 WeakPolarHBondContact O-CG1 3.41Å; S386-I390 PolarHBondContact O-N 3.44Å |
| 387 | I | 93.4 | Very high | 92.9 | Very high | 42 Ų | 42 | 60.7 Ų | 60.7 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 174 | -69.1 | 167.1 | 0 | 0 | 0 | 110.9 | L74 T383 S389 I390 I391 | L74-I387 HydrophobicContact CD1-CD1 3.98Å; L74-I387 HydrophobicContact CD2-CD1 3.55Å; L74-I387 HydrophobicContact CG-CD1 4.31Å; T383-I387 HydrophobicContact CG2-CD1 4.47Å; T383-I387 WeakPolarHBondContact O-CG1 3.42Å; T383-I387 PolarHBondContact O-N 3.2Å; T383-I387 VanDerWaalsContact O-N 3.14Å; I387-S389 PolarHBondContact O-N 3.46Å; I387-I390 PolarHBondContact O-N 2.9Å; I387-I391 HydrophobicContact CG2-CD1 3.86Å; I387-I391 WeakPolarHBondContact O-CG1 3.21Å; I387-I391 PolarHBondContact O-N 3.3Å |
| 388 | T | 93.4 | Very high | 93.3 | Very high | 74 Ų | 74 | 60.3 Ų | 60.3 | 45% | 0.454 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 178.6 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | M384 L385 S386 I391 L392 | M384-T388 WeakPolarHBondContact O-CB 3.21Å; M384-T388 PolarHBondContact O-N 3.25Å; M384-T388 PolarHBondContact O-OG1 3.17Å; L385-T388 PolarHBondContact O-N 3.32Å; S386-T388 VanDerWaalsContact C-N 3.35Å; S386-T388 PolarHBondContact O-N 2.97Å; T388-I391 PolarHBondContact O-N 3.11Å; T388-L392 WeakPolarHBondContact O-CB 3.4Å; T388-L392 PolarHBondContact O-N 2.79Å |
| 389 | S | 95.4 | Very high | 93.8 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 175.9 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | L385 S386 I387 I391 L392 F393 | L385-S389 WeakPolarHBondContact O-CB 3.32Å; L385-S389 PolarHBondContact O-N 2.8Å; L385-S389 PolarHBondContact O-OG 3.04Å; S386-S389 WeakPolarHBondContact O-CB 3.18Å; S386-S389 PolarHBondContact O-N 3.31Å; I387-S389 PolarHBondContact O-N 3.46Å; S389-I391 VanDerWaalsContact C-N 3.3Å; S389-I391 PolarHBondContact O-N 3.34Å; S389-L392 PolarHBondContact O-N 2.9Å; S389-F393 WeakPolarHBondContact O-CB 3.39Å; S389-F393 WeakPolarHBondContact O-CD2 3.33Å; S389-F393 PolarHBondContact O-N 3.47Å |
| 390 | I | 94.8 | Very high | 94.1 | Very high | 48 Ų | 48 | 61.1 Ų | 61.1 | 25% | 0.246 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 173.4 | -67.5 | 165.5 | 0 | 0 | 0 | 110.1 | L70 I318 A322 S386 I387 V394 V395 | L70-I390 HydrophobicContact CD2-CD1 4.09Å; I318-I390 HydrophobicContact CG2-CD1 4.19Å; A322-I390 HydrophobicContact CB-CG2 4.2Å; S386-I390 WeakPolarHBondContact O-CG1 3.41Å; S386-I390 PolarHBondContact O-N 3.44Å; I387-I390 PolarHBondContact O-N 2.9Å; I390-V394 HydrophobicContact CG2-CB 4.46Å; I390-V394 WeakPolarHBondContact O-CA 3.14Å; I390-V394 VanDerWaalsContact O-CB 3.23Å; I390-V394 WeakPolarHBondContact O-CB 3.3Å; I390-V394 PolarHBondContact O-N 3.14Å; I390-V395 HydrophobicContact CG2-CG2 4.37Å; I390-V395 PolarHBondContact O-N 2.93Å |
| 391 | I | 95.3 | Very high | 94.5 | Very high | 29 Ų | 29 | 61.7 Ų | 61.7 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -62.7 | -49.3 | 177.6 | -65.8 | 161.3 | 0 | 0 | 0 | 110.7 | P356 I387 T388 S389 V395 I396 | P356-I391 HydrophobicContact CB-CD1 3.83Å; P356-I391 HydrophobicContact CB-CG1 4.27Å; P356-I391 HydrophobicContact CB-CG2 4.27Å; I387-I391 HydrophobicContact CG2-CD1 3.86Å; I387-I391 WeakPolarHBondContact O-CG1 3.21Å; I387-I391 PolarHBondContact O-N 3.3Å; T388-I391 PolarHBondContact O-N 3.11Å; S389-I391 VanDerWaalsContact C-N 3.3Å; S389-I391 PolarHBondContact O-N 3.34Å; I391-V395 WeakPolarHBondContact O-CB 3.35Å; I391-V395 PolarHBondContact O-N 3.02Å; I391-I396 HydrophobicContact CG2-CD1 4.36Å; I391-I396 HydrophobicContact CG2-CG1 4.39Å; I391-I396 WeakPolarHBondContact O-CG1 3.39Å; I391-I396 PolarHBondContact O-N 3.27Å |
| 392 | L | 95.1 | Very high | 94.9 | Very high | 91 Ų | 91 | 54.6 Ų | 54.6 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -68.6 | -44.3 | -174.4 | -176.4 | 61.8 | 0 | 0 | 0 | 113.2 | T388 S389 I396 P397 | T388-L392 WeakPolarHBondContact O-CB 3.4Å; T388-L392 PolarHBondContact O-N 2.79Å; S389-L392 PolarHBondContact O-N 2.9Å; L392-I396 HydrophobicContact CD1-CD1 4.33Å; L392-P397 WeakPolarHBondContact O-CD 3.32Å |
| 393 | F | 96.2 | Very high | 95.3 | Very high | 147 Ų | 147 | 48.3 Ų | 48.3 | 65% | 0.645 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -100 | -16.7 | -170.4 | -64.2 | -67 | 0 | 0 | 0 | 114.2 | S389 P397 | S389-F393 WeakPolarHBondContact O-CB 3.39Å; S389-F393 WeakPolarHBondContact O-CD2 3.33Å; S389-F393 PolarHBondContact O-N 3.47Å; F393-P397 WeakPolarHBondContact O-CG 3.36Å |
| 394 | V | 95.1 | Very high | 95.6 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -116.8 | -58.8 | -179.7 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | A322 I390 P397 L398 | A322-V394 HydrophobicContact CB-CG1 4.09Å; I390-V394 HydrophobicContact CG2-CB 4.46Å; I390-V394 WeakPolarHBondContact O-CA 3.14Å; I390-V394 VanDerWaalsContact O-CB 3.23Å; I390-V394 WeakPolarHBondContact O-CB 3.3Å; I390-V394 PolarHBondContact O-N 3.14Å; V394-P397 WeakPolarHBondContact O-CD 3.46Å; V394-L398 HydrophobicContact CG1-CD1 3.71Å; V394-L398 VanDerWaalsContact O-CB 3.27Å; V394-L398 WeakPolarHBondContact O-CB 3.3Å; V394-L398 VanDerWaalsContact O-CG 3.24Å; V394-L398 WeakPolarHBondContact O-CG 3.38Å; V394-L398 PolarHBondContact O-N 3.11Å; V394-L398 VanDerWaalsContact O-N 3.07Å |
| 395 | V | 96 | Very high | 95.9 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -64.7 | -51.7 | -173.8 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | F321 A322 S325 I390 I391 L398 N399 | F321-V395 HydrophobicContact CD1-CG2 4.43Å; F321-V395 HydrophobicContact CE1-CG1 4.17Å; F321-V395 HydrophobicContact CE1-CG2 4.33Å; A322-V395 HydrophobicContact CB-CG2 4.26Å; S325-V395 WeakPolarHBondContact OG-CG1 3.41Å; S325-V395 PolarHBondContact OG-O 3.33Å; S325-V395 VanDerWaalsContact OG-O 3.06Å; I390-V395 HydrophobicContact CG2-CG2 4.37Å; I390-V395 PolarHBondContact O-N 2.93Å; I391-V395 WeakPolarHBondContact O-CB 3.35Å; I391-V395 PolarHBondContact O-N 3.02Å; V395-L398 PolarHBondContact O-N 3.41Å; V395-N399 VanDerWaalsContact O-CB 3.23Å; V395-N399 WeakPolarHBondContact O-CB 3.39Å; V395-N399 PolarHBondContact O-N 3.36Å |
| 396 | I | 96.9 | Very high | 96.1 | Very high | 34 Ų | 34 | 48.4 Ų | 48.4 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | -176.9 | -68.5 | 175.4 | 0 | 0 | 0 | 111.8 | F348 A352 T353 I391 L392 N399 L400 | F348-I396 HydrophobicContact CE2-CG2 4.42Å; F348-I396 WeakPolarHBondContact CE2-O 3.32Å; F348-I396 HydrophobicContact CZ-CG2 3.69Å; A352-I396 HydrophobicContact CB-CG1 4.25Å; T353-I396 HydrophobicContact CG2-CD1 4.12Å; I391-I396 HydrophobicContact CG2-CD1 4.36Å; I391-I396 HydrophobicContact CG2-CG1 4.39Å; I391-I396 WeakPolarHBondContact O-CG1 3.39Å; I391-I396 PolarHBondContact O-N 3.27Å; L392-I396 HydrophobicContact CD1-CD1 4.33Å; I396-N399 PolarHBondContact O-N 3.45Å; I396-L400 PolarHBondContact O-N 3.25Å |
| 397 | P | 97.4 | Very high | 96.3 | Very high | 57 Ų | 57 | 49 Ų | 49 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 176.9 | -27.3 | 38.1 | 0 | 0 | 0 | 113.9 | L392 F393 V394 N399 L400 V401 | L392-P397 WeakPolarHBondContact O-CD 3.32Å; F393-P397 WeakPolarHBondContact O-CG 3.36Å; V394-P397 WeakPolarHBondContact O-CD 3.46Å; P397-N399 VanDerWaalsContact C-N 3.34Å; P397-N399 PolarHBondContact O-N 3.48Å; P397-L400 WeakPolarHBondContact O-CB 3.36Å; P397-L400 PolarHBondContact O-N 2.66Å; P397-V401 PolarHBondContact O-N 3.11Å; P397-V401 VanDerWaalsContact O-N 3.14Å |
| 398 | L | 97 | Very high | 96.3 | Very high | 59 Ų | 59 | 52.9 Ų | 52.9 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 177.6 | -74 | 178.5 | 0 | 0 | 0 | 112 | A322 P326 V394 V395 L400 V401 G402 | A322-L398 VanDerWaalsContact O-CD1 3.31Å; A322-L398 WeakPolarHBondContact O-CD1 3.34Å; P326-L398 WeakPolarHBondContact CA-O 3.39Å; P326-L398 HydrophobicContact CG-CB 3.97Å; P326-L398 HydrophobicContact CG-CD2 4.35Å; V394-L398 HydrophobicContact CG1-CD1 3.71Å; V394-L398 VanDerWaalsContact O-CB 3.27Å; V394-L398 WeakPolarHBondContact O-CB 3.3Å; V394-L398 VanDerWaalsContact O-CG 3.24Å; V394-L398 WeakPolarHBondContact O-CG 3.38Å; V394-L398 PolarHBondContact O-N 3.11Å; V394-L398 VanDerWaalsContact O-N 3.07Å; V395-L398 PolarHBondContact O-N 3.41Å; L398-L400 VanDerWaalsContact C-N 3.31Å; L398-L400 PolarHBondContact O-N 3.49Å; L398-V401 PolarHBondContact O-N 3.49Å; L398-G402 PolarHBondContact O-N 2.84Å; L398-G402 VanDerWaalsContact O-N 3.08Å |
| 399 | N | 97.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.011 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.6 | -36 | 173.6 | -162.6 | -23 | 0 | 0 | 0 | 112 | N328 G329 F348 A352 V395 I396 P397 G402 T403 | N328-N399 PolarHBondContact ND2-ND2 2.64Å; G329-N399 WeakPolarHBondContact CA-OD1 3.21Å; G329-N399 PolarHBondContact N-OD1 3.27Å; F348-N399 HydrophobicContact CE2-CB 4.24Å; A352-N399 WeakPolarHBondContact CA-ND2 3.35Å; A352-N399 HydrophobicContact CB-CB 4.18Å; A352-N399 WeakPolarHBondContact CB-ND2 3.35Å; V395-N399 VanDerWaalsContact O-CB 3.23Å; V395-N399 WeakPolarHBondContact O-CB 3.39Å; V395-N399 PolarHBondContact O-N 3.36Å; I396-N399 PolarHBondContact O-N 3.45Å; P397-N399 VanDerWaalsContact C-N 3.34Å; P397-N399 PolarHBondContact O-N 3.48Å; N399-G402 PolarHBondContact O-N 3.34Å; N399-T403 WeakPolarHBondContact O-CB 3.46Å; N399-T403 PolarHBondContact O-N 2.96Å; N399-T403 PolarHBondContact O-OG1 3.43Å; N399-T403 PolarHBondContact OD1-OG1 3.35Å |
| 400 | L | 98 | Very high | 96.2 | Very high | 66 Ų | 66 | 58.4 Ų | 58.4 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.7 | -47.4 | 174.6 | 179.5 | 62.9 | 0 | 0 | 0 | 111.1 | W344 F348 I396 P397 L398 G402 T403 V404 | W344-L400 HydrophobicContact CZ3-CD1 4.12Å; F348-L400 HydrophobicContact CD1-CD1 4.16Å; F348-L400 HydrophobicContact CD2-CB 4.35Å; F348-L400 HydrophobicContact CD2-CD1 4.29Å; F348-L400 HydrophobicContact CE1-CD1 4.06Å; F348-L400 VanDerWaalsContact CE2-CA 3.5Å; F348-L400 HydrophobicContact CE2-CB 3.63Å; F348-L400 HydrophobicContact CE2-CD1 4.19Å; F348-L400 HydrophobicContact CG-CD1 4.27Å; F348-L400 HydrophobicContact CZ-CB 3.73Å; F348-L400 HydrophobicContact CZ-CD1 4.06Å; F348-L400 HydrophobicContact CZ-CG 4.38Å; I396-L400 PolarHBondContact O-N 3.25Å; P397-L400 WeakPolarHBondContact O-CB 3.36Å; P397-L400 PolarHBondContact O-N 2.66Å; L398-L400 VanDerWaalsContact C-N 3.31Å; L398-L400 PolarHBondContact O-N 3.49Å; L400-G402 VanDerWaalsContact C-N 3.31Å; L400-G402 PolarHBondContact O-N 3.44Å; L400-T403 PolarHBondContact O-N 3.32Å; L400-T403 VanDerWaalsContact O-N 3.12Å; L400-V404 HydrophobicContact CD1-CG2 4.32Å; L400-V404 WeakPolarHBondContact O-CG2 3.32Å; L400-V404 PolarHBondContact O-N 3.16Å |
| 401 | V | 97.7 | Very high | 96 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 48% | 0.479 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56 | -48.9 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | P397 L398 T403 V404 L405 | P397-V401 PolarHBondContact O-N 3.11Å; P397-V401 VanDerWaalsContact O-N 3.14Å; L398-V401 PolarHBondContact O-N 3.49Å; V401-T403 VanDerWaalsContact C-N 3.32Å; V401-T403 PolarHBondContact O-N 2.97Å; V401-V404 PolarHBondContact O-N 3.4Å; V401-L405 HydrophobicContact CG1-CD1 3.98Å; V401-L405 HydrophobicContact CG1-CG 4.5Å; V401-L405 WeakPolarHBondContact O-CG 3.29Å; V401-L405 PolarHBondContact O-N 2.99Å |
| 402 | G | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | P326 G329 L330 L398 N399 L400 L405 G406 | P326-G402 VanDerWaalsContact O-CA 3.22Å; P326-G402 WeakPolarHBondContact O-CA 3.43Å; G329-G402 CarbonylContact C-O 3.45Å; L330-G402 WeakPolarHBondContact CA-O 3.31Å; L330-G402 VanDerWaalsContact N-C 3.32Å; L330-G402 PolarHBondContact N-O 3.45Å; L398-G402 PolarHBondContact O-N 2.84Å; L398-G402 VanDerWaalsContact O-N 3.08Å; N399-G402 PolarHBondContact O-N 3.34Å; L400-G402 VanDerWaalsContact C-N 3.31Å; L400-G402 PolarHBondContact O-N 3.44Å; G402-L405 PolarHBondContact O-N 3.01Å; G402-G406 PolarHBondContact O-N 3.07Å |
| 403 | T | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -44.1 | -178.8 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | G329 W344 F348 N399 L400 V401 R407 | G329-T403 VanDerWaalsContact CA-OG1 3.24Å; G329-T403 WeakPolarHBondContact CA-OG1 3.38Å; G329-T403 VanDerWaalsContact O-CA 3.29Å; G329-T403 WeakPolarHBondContact O-CA 3.45Å; W344-T403 HydrophobicContact CE3-CG2 4.44Å; F348-T403 HydrophobicContact CB-CG2 4.12Å; N399-T403 WeakPolarHBondContact O-CB 3.46Å; N399-T403 PolarHBondContact O-N 2.96Å; N399-T403 PolarHBondContact O-OG1 3.43Å; N399-T403 PolarHBondContact OD1-OG1 3.35Å; L400-T403 PolarHBondContact O-N 3.32Å; L400-T403 VanDerWaalsContact O-N 3.12Å; V401-T403 VanDerWaalsContact C-N 3.32Å; V401-T403 PolarHBondContact O-N 2.97Å; T403-R407 HydrophobicContact CG2-CG 4.41Å; T403-R407 WeakPolarHBondContact O-CB 3.5Å; T403-R407 WeakPolarHBondContact O-CG 3.25Å; T403-R407 PolarHBondContact O-N 3.22Å; T403-R407 VanDerWaalsContact O-N 3.08Å |
| 404 | V | 97.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 58.1 Ų | 58.1 | 35% | 0.352 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 110.5 | L400 V401 R407 N408 | L400-V404 HydrophobicContact CD1-CG2 4.32Å; L400-V404 WeakPolarHBondContact O-CG2 3.32Å; L400-V404 PolarHBondContact O-N 3.16Å; V401-V404 PolarHBondContact O-N 3.4Å; V404-R407 PolarHBondContact O-N 2.62Å; V404-N408 WeakPolarHBondContact O-CB 3.31Å; V404-N408 VanDerWaalsContact O-CG 3.3Å; V404-N408 PolarHBondContact O-N 3.33Å; V404-N408 VanDerWaalsContact O-N 3.1Å; V404-N408 PolarHBondContact O-ND2 2.83Å |
| 405 | L | 97.2 | Very high | 93.9 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 177.6 | -69.3 | 175.4 | 0 | 0 | 0 | 112.2 | V401 G402 R407 N408 L409 | V401-L405 HydrophobicContact CG1-CD1 3.98Å; V401-L405 HydrophobicContact CG1-CG 4.5Å; V401-L405 WeakPolarHBondContact O-CG 3.29Å; V401-L405 PolarHBondContact O-N 2.99Å; G402-L405 PolarHBondContact O-N 3.01Å; L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 3.11Å; L405-N408 PolarHBondContact O-N 2.96Å; L405-L409 HydrophobicContact CD2-CD1 4.42Å; L405-L409 VanDerWaalsContact O-CB 3.32Å; L405-L409 WeakPolarHBondContact O-CB 3.49Å; L405-L409 WeakPolarHBondContact O-CG 3.31Å; L405-L409 PolarHBondContact O-N 2.99Å |
| 406 | G | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -40.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | S334 G402 F410 G411 | S334-G406 WeakPolarHBondContact CA-O 3.26Å; S334-G406 WeakPolarHBondContact CB-O 3.21Å; G402-G406 PolarHBondContact O-N 3.07Å; G406-F410 CarbonylContact O-C 3.43Å; G406-F410 WeakPolarHBondContact O-CA 3.41Å; G406-F410 PolarHBondContact O-N 2.96Å; G406-G411 PolarHBondContact O-N 3.28Å |
| 407 | R | 95.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 20% | 0.204 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.5 | -43.1 | 177.8 | -70.3 | 178.5 | 65.3 | 72.2 | 3 | 112.5 | G333 A337 T403 V404 L405 G411 | G333-R407 VanDerWaalsContact O-CG 3.26Å; G333-R407 WeakPolarHBondContact O-CG 3.27Å; A337-R407 HydrophobicContact CB-CB 4.42Å; A337-R407 HydrophobicContact CB-CG 4.17Å; T403-R407 HydrophobicContact CG2-CG 4.41Å; T403-R407 WeakPolarHBondContact O-CB 3.5Å; T403-R407 WeakPolarHBondContact O-CG 3.25Å; T403-R407 PolarHBondContact O-N 3.22Å; T403-R407 VanDerWaalsContact O-N 3.08Å; V404-R407 PolarHBondContact O-N 2.62Å; L405-R407 VanDerWaalsContact C-N 3.33Å; L405-R407 PolarHBondContact O-N 3.11Å; R407-G411 WeakPolarHBondContact O-CA 3.3Å; R407-G411 PolarHBondContact O-N 2.92Å; R407-G411 VanDerWaalsContact O-N 3.16Å |
| 408 | N | 94.6 | Very high | 92.2 | Very high | 122 Ų | 122 | 68 Ų | 68 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -77.1 | -38.1 | -175.3 | -68.7 | -22.3 | 0 | 0 | 0 | 112.5 | V404 L405 | V404-N408 WeakPolarHBondContact O-CB 3.31Å; V404-N408 VanDerWaalsContact O-CG 3.3Å; V404-N408 PolarHBondContact O-N 3.33Å; V404-N408 VanDerWaalsContact O-N 3.1Å; V404-N408 PolarHBondContact O-ND2 2.83Å; L405-N408 PolarHBondContact O-N 2.96Å |
| 409 | L | 94.1 | Very high | 91.8 | Very high | 113 Ų | 113 | 67.6 Ų | 67.6 | 59% | 0.592 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -88.9 | -36.6 | -176.4 | -60.3 | 177.7 | 0 | 0 | 0 | 113 | L405 | L405-L409 HydrophobicContact CD2-CD1 4.42Å; L405-L409 VanDerWaalsContact O-CB 3.32Å; L405-L409 WeakPolarHBondContact O-CB 3.49Å; L405-L409 WeakPolarHBondContact O-CG 3.31Å; L405-L409 PolarHBondContact O-N 2.99Å |
| 410 | F | 93.2 | Very high | 91.4 | Very high | 120 Ų | 120 | 71 Ų | 71 | 53% | 0.526 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -126.9 | 10.9 | -170.2 | -53.9 | -66.9 | 0 | 0 | 0 | 113.6 | L330 R338 G406 | L330-F410 HydrophobicContact CD1-CE2 4.43Å; L330-F410 HydrophobicContact CD2-CD2 4.23Å; L330-F410 HydrophobicContact CD2-CE2 4.44Å; R338-F410 VanDerWaalsContact CD-O 3.3Å; R338-F410 WeakPolarHBondContact CD-O 3.3Å; G406-F410 CarbonylContact O-C 3.43Å; G406-F410 WeakPolarHBondContact O-CA 3.41Å; G406-F410 PolarHBondContact O-N 2.96Å |
| 411 | G | 89.2 | Confident | 90.9 | Very high | 9 Ų | 9 | 73.3 Ų | 73.3 | 9% | 0.093 | 39% | 0.386 | C | S | . | . | trans | -86 | -7.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A337 R338 G406 R407 A413 | A337-G411 CarbonylContact C-O 3.58Å; A337-G411 VanDerWaalsContact C-O 3.31Å; A337-G411 VanDerWaalsContact CB-CA 3.46Å; R338-G411 PolarHBondContact N-O 2.93Å; G406-G411 PolarHBondContact O-N 3.28Å; R407-G411 WeakPolarHBondContact O-CA 3.3Å; R407-G411 PolarHBondContact O-N 2.92Å; R407-G411 VanDerWaalsContact O-N 3.16Å; G411-A413 PolarHBondContact O-N 3.24Å | ||
| 412 | L | 88.6 | Confident | 90.6 | Very high | 134 Ų | 134 | 74.9 Ų | 74.9 | 70% | 0.702 | 40% | 0.396 | S | S | * | . | trans | -68.5 | 127 | -179.9 | -68.6 | 171.8 | 0 | 0 | 0 | 111.5 | N414 | L412-N414 PolarHBondContact O-N 3.21Š| ||
| 413 | A | 81.5 | Confident | 90.2 | Very high | 48 Ų | 48 | 77.8 Ų | 77.8 | 40% | 0.397 | 42% | 0.415 | S | S | . | . | trans | -80.1 | 86.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | R338 G411 F415 | R338-A413 WeakPolarHBondContact O-CB 3.46Å; G411-A413 PolarHBondContact O-N 3.24Å; A413-F415 HydrophobicContact CB-CD2 4.19Å; A413-F415 HydrophobicContact CB-CE2 3.78Å; A413-F415 HydrophobicContact CB-CZ 4.14Å; A413-F415 PolarHBondContact O-N 2.91Å | ||
| 414 | N | 82.8 | Confident | 89.6 | Confident | 118 Ų | 118 | 81.4 Ų | 81.4 | 63% | 0.631 | 43% | 0.43 | S | S | * | . | trans | -89.4 | 85.3 | 171 | -63.4 | -9.8 | 0 | 0 | 0 | 109 | L412 R569 | L412-N414 PolarHBondContact O-N 3.21Å; N414-R569 PolarHBondContact O-NH1 2.97Å | ||
| 415 | F | 85.8 | Confident | 89.2 | Confident | 72 Ų | 72 | 82.7 Ų | 82.7 | 32% | 0.316 | 45% | 0.447 | S | S | . | . | trans | -89.4 | 137.1 | 174 | -61.5 | -52.9 | 0 | 0 | 0 | 110.3 | F271 R338 A413 C417 | F271-F415 HydrophobicContact CB-CB 4.35Å; F271-F415 HydrophobicContact CB-CD1 3.68Å; F271-F415 HydrophobicContact CB-CD2 4.34Å; F271-F415 HydrophobicContact CB-CE1 3.96Å; F271-F415 HydrophobicContact CB-CG 3.89Å; F271-F415 HydrophobicContact CB-CZ 4.4Å; F271-F415 AromaticContact CD1-CD1 3.51Å; F271-F415 HydrophobicContact CD1-CD1 3.51Å; F271-F415 AromaticContact CD1-CE1 3.96Å; F271-F415 HydrophobicContact CD1-CE1 3.96Å; F271-F415 HydrophobicContact CD1-CG 4.35Å; F271-F415 HydrophobicContact CD2-CB 4.36Å; F271-F415 HydrophobicContact CE1-CD1 4.35Å; F271-F415 HydrophobicContact CG-CB 4.19Å; F271-F415 AromaticContact CG-CD1 3.65Å; F271-F415 HydrophobicContact CG-CD1 3.65Å; F271-F415 HydrophobicContact CG-CE1 4.26Å; F271-F415 HydrophobicContact CG-CG 4.06Å; R338-F415 WeakPolarHBondContact O-CZ 3.33Å; A413-F415 HydrophobicContact CB-CD2 4.19Å; A413-F415 HydrophobicContact CB-CE2 3.78Å; A413-F415 HydrophobicContact CB-CZ 4.14Å; A413-F415 PolarHBondContact O-N 2.91Å; F415-C417 VanDerWaalsContact C-N 3.33Å | ||
| 416 | P | 84.5 | Confident | 88.8 | Confident | 56 Ų | 56 | 81.4 Ų | 81.4 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -72 | -27.3 | 179.5 | 28.5 | -33.8 | 0 | 0 | 0 | 113 | F271 | F271-P416 HydrophobicContact CD2-CG 4.42Å; F271-P416 HydrophobicContact CE1-CG 4.36Å; F271-P416 HydrophobicContact CE2-CG 3.43Å; F271-P416 VanDerWaalsContact CE2-CG 3.43Å; F271-P416 VanDerWaalsContact CZ-CD 3.45Å; F271-P416 HydrophobicContact CZ-CG 3.39Å |
| 417 | C | 83.9 | Confident | 88.3 | Confident | 15 Ų | 15 | 84 Ų | 84 | 10% | 0.101 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -122.3 | 148 | -179.7 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | F271 F415 | F271-C417 HydrophobicContact CD2-CB 4.41Å; F271-C417 HydrophobicContact CE2-CB 4.36Å; F415-C417 VanDerWaalsContact C-N 3.33Å |
| 418 | R | 86.7 | Confident | 87.9 | Confident | 221 Ų | 221 | 91 Ų | 91 | 83% | 0.834 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 139.8 | 172.4 | -175.7 | 177.2 | 179 | 176.9 | -0.2 | 110.1 | ||
| 419 | V | 87.8 | Confident | 87.4 | Confident | 49 Ų | 49 | 87.4 Ų | 87.4 | 30% | 0.297 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 126.7 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | G268 F271 R272 | G268-V419 CarbonylContact O-C 3.56Å; G268-V419 VanDerWaalsContact O-CA 3.26Å; G268-V419 WeakPolarHBondContact O-CA 3.43Å; F271-V419 HydrophobicContact CB-CG2 3.88Å; R272-V419 HydrophobicContact CB-CG1 4.3Å |
| 420 | N | 88.9 | Confident | 87.1 | Confident | 74 Ų | 74 | 89 Ų | 89 | 40% | 0.396 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 142.5 | 175.6 | -75.4 | -19.3 | 0 | 0 | 0 | 110.8 | G268 R272 | G268-N420 PolarHBondContact O-N 2.72Å; R272-N420 PolarHBondContact NH2-O 3.19Å |
| 421 | P | 88.2 | Confident | 86.8 | Confident | 114 Ų | 114 | 91.3 Ų | 91.3 | 74% | 0.74 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -65.1 | -44.7 | 179.8 | 23.5 | -31.2 | 0 | 0 | 0 | 111.6 | R272 | R272-P421 PolarHBondContact NH1-O 3.09Å; R272-P421 PolarHBondContact NH2-O 3.06Å |
| 422 | V | 90.4 | Very high | 86.7 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 69% | 0.685 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -95.7 | 128.9 | -178.8 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 423 | P | 89 | Confident | 86.5 | Confident | 61 Ų | 61 | 89.9 Ų | 89.9 | 40% | 0.396 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 137.9 | 177.6 | 28.2 | -31.7 | 0 | 0 | 0 | 111.4 | D269 R272 | D269-P423 WeakPolarHBondContact OD1-CA 3.23Å; R272-P423 VanDerWaalsContact NH2-N 3.17Å |
| 424 | K | 86.7 | Confident | 87 | Confident | 76 Ų | 76 | 92 Ų | 92 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 144 | 170.8 | -166.2 | -172.3 | 177.2 | -163.4 | 0 | 110.9 | D269 E499 | D269-K424 WeakPolarHBondContact OD2-CB 3.38Å; D269-K424 PolarHBondContact OD2-N 3.38Å; K424-E499 IonicContact NZ-OE2 3.88Å; K424-E499 PolarHBondContact NZ-OE2 3.42Å |
| 425 | A | 87.9 | Confident | 87.4 | Confident | 85 Ų | 85 | 87.6 Ų | 87.6 | 70% | 0.702 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 134.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 426 | I | 88.5 | Confident | 87.7 | Confident | 56 Ų | 56 | 88 Ų | 88 | 29% | 0.287 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 125.3 | 180 | -58.1 | 168.1 | 0 | 0 | 0 | 107.8 | D500 Y501 | I426-D500 HydrophobicContact CG2-CB 4.07Å; I426-Y501 HydrophobicContact CD1-CE1 4.12Å; I426-Y501 HydrophobicContact CG1-CD1 4.35Å; I426-Y501 HydrophobicContact CG1-CE1 3.91Å |
| 427 | P | 87.9 | Confident | 88.1 | Confident | 53 Ų | 53 | 89.2 Ų | 89.2 | 34% | 0.344 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -68 | 159 | 178.9 | 28.8 | -34.6 | 0 | 0 | 0 | 111.8 | K429 E499 | P427-K429 PolarHBondContact O-N 3.44Å; P427-E499 HydrophobicContact CG-CB 3.79Å; P427-E499 HydrophobicContact CG-CG 4.42Å |
| 428 | E | 86.3 | Confident | 88.5 | Confident | 202 Ų | 202 | 89.5 Ų | 89.5 | 94% | 0.944 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 133.2 | 169.8 | -65.7 | -175.7 | 179.2 | 0 | 0 | 109.9 | ||
| 429 | K | 84.5 | Confident | 88.9 | Confident | 47 Ų | 47 | 80.5 Ų | 80.5 | 20% | 0.204 | 42% | 0.424 | C | S | . | . | trans | -123.5 | 157.3 | -177 | 58.4 | -174.6 | 167.7 | 178.7 | 0 | 110.7 | P427 M433 D500 | P427-K429 PolarHBondContact O-N 3.44Å; K429-M433 HydrophobicContact CB-CB 4.28Å; K429-M433 HydrophobicContact CD-CB 4.17Å; K429-M433 WeakPolarHBondContact CD-O 3.46Å; K429-M433 HydrophobicContact CG-CB 4.47Å; K429-M433 PolarHBondContact NZ-O 3.48Å; K429-D500 IonicContact NZ-OD2 2.76Å; K429-D500 PolarHBondContact NZ-OD2 2.81Å | ||
| 430 | K | 87.6 | Confident | 89.2 | Confident | 145 Ų | 145 | 82.5 Ų | 82.5 | 63% | 0.63 | 43% | 0.432 | S | S | * | . | trans | -61.8 | 147.2 | 174.5 | -61.7 | -177.3 | -179.5 | -177.3 | 0 | 109.7 | F432 M433 | K430-F432 HydrophobicContact CB-CD1 3.86Å; K430-F432 HydrophobicContact CB-CE1 3.52Å; K430-F432 HydrophobicContact CB-CZ 3.9Å; K430-F432 HydrophobicContact CD-CE1 3.44Å; K430-F432 VanDerWaalsContact CD-CE1 3.44Å; K430-F432 HydrophobicContact CD-CZ 3.49Å; K430-F432 VanDerWaalsContact CD-CZ 3.49Å; K430-F432 HydrophobicContact CG-CE1 4.1Å; K430-F432 HydrophobicContact CG-CZ 4.31Å; K430-F432 PolarHBondContact O-N 2.88Å; K430-F432 VanDerWaalsContact O-N 3.08Å; K430-M433 WeakPolarHBondContact O-CB 3.43Å; K430-M433 PolarHBondContact O-N 2.93Å | ||
| 431 | W | 87.2 | Confident | 89.4 | Confident | 169 Ų | 169 | 81 Ų | 81 | 64% | 0.64 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -50.8 | -37.8 | -176.7 | 72.1 | -86.9 | 0 | 0 | 0 | 113.7 | M433 E434 F437 | W431-M433 PolarHBondContact O-N 3.41Å; W431-E434 WeakPolarHBondContact O-CB 3.36Å; W431-E434 WeakPolarHBondContact O-CG 3.23Å; W431-E434 PolarHBondContact O-N 2.91Å; W431-F437 HydrophobicContact CE3-CD2 4.21Å; W431-F437 HydrophobicContact CE3-CE2 4.44Å; W431-F437 HydrophobicContact CH2-CE2 4.06Å; W431-F437 HydrophobicContact CH2-CZ 4.26Å; W431-F437 AromaticContact CZ3-CD2 3.66Å; W431-F437 HydrophobicContact CZ3-CD2 3.66Å; W431-F437 AromaticContact CZ3-CE2 3.51Å; W431-F437 HydrophobicContact CZ3-CE2 3.51Å; W431-F437 HydrophobicContact CZ3-CG 4.3Å; W431-F437 HydrophobicContact CZ3-CZ 4.03Å |
| 432 | F | 85.9 | Confident | 89.5 | Confident | 78 Ų | 78 | 75.9 Ų | 75.9 | 34% | 0.342 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -74 | -9.6 | 179.6 | 63.3 | -99.2 | 0 | 0 | 0 | 114.6 | K430 F437 | K430-F432 HydrophobicContact CB-CD1 3.86Å; K430-F432 HydrophobicContact CB-CE1 3.52Å; K430-F432 HydrophobicContact CB-CZ 3.9Å; K430-F432 HydrophobicContact CD-CE1 3.44Å; K430-F432 VanDerWaalsContact CD-CE1 3.44Å; K430-F432 HydrophobicContact CD-CZ 3.49Å; K430-F432 VanDerWaalsContact CD-CZ 3.49Å; K430-F432 HydrophobicContact CG-CE1 4.1Å; K430-F432 HydrophobicContact CG-CZ 4.31Å; K430-F432 PolarHBondContact O-N 2.88Å; K430-F432 VanDerWaalsContact O-N 3.08Å; F432-F437 HydrophobicContact CB-CD1 4.11Å; F432-F437 HydrophobicContact CB-CE1 3.98Å; F432-F437 VanDerWaalsContact O-CD1 3.31Å; F432-F437 WeakPolarHBondContact O-CD1 3.4Å |
| 433 | M | 85.4 | Confident | 89.7 | Confident | 36 Ų | 36 | 70.5 Ų | 70.5 | 18% | 0.177 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -98.4 | 1.4 | 172.9 | -65.4 | -56 | -163.9 | 0 | 0 | 112.5 | K429 K430 W431 F494 S498 | K429-M433 HydrophobicContact CB-CB 4.28Å; K429-M433 HydrophobicContact CD-CB 4.17Å; K429-M433 WeakPolarHBondContact CD-O 3.46Å; K429-M433 HydrophobicContact CG-CB 4.47Å; K429-M433 PolarHBondContact NZ-O 3.48Å; K430-M433 WeakPolarHBondContact O-CB 3.43Å; K430-M433 PolarHBondContact O-N 2.93Å; W431-M433 PolarHBondContact O-N 3.41Å; M433-F494 HydrophobicContact CE-CB 4.43Å; M433-F494 HydrophobicContact CE-CD1 3.77Å; M433-F494 HydrophobicContact CE-CE1 4.44Å; M433-F494 HydrophobicContact CE-CG 4.38Å; M433-F494 HydrophobicContact SD-CB 4.02Å; M433-F494 HydrophobicContact SD-CD1 4.41Å; M433-F494 HydrophobicContact SD-CG 4.45Å; M433-S498 WeakPolarHBondContact CB-OG 3.37Å; M433-S498 WeakPolarHBondContact CG-OG 3.39Å |
| 434 | E | 90.5 | Very high | 89.9 | Confident | 92 Ų | 92 | 72 Ų | 72 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -66.1 | 144.6 | 175.1 | -70.7 | -172 | 179.2 | 0 | 0 | 111.9 | W431 S436 F437 L438 | W431-E434 WeakPolarHBondContact O-CB 3.36Å; W431-E434 WeakPolarHBondContact O-CG 3.23Å; W431-E434 PolarHBondContact O-N 2.91Å; E434-S436 PolarHBondContact O-N 3.4Å; E434-F437 PolarHBondContact O-N 3.49Å; E434-L438 WeakPolarHBondContact O-CG 3.44Å; E434-L438 PolarHBondContact O-N 3.48Å |
| 435 | P | 91.6 | Very high | 90.1 | Very high | 26 Ų | 26 | 71.3 Ų | 71.3 | 17% | 0.169 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.4 | -38.6 | -178.5 | -20.7 | 34.8 | 0 | 0 | 0 | 111.6 | L438 I439 L495 T506 | P435-L438 PolarHBondContact O-N 3.24Å; P435-I439 WeakPolarHBondContact O-CB 3.3Å; P435-I439 WeakPolarHBondContact O-CD1 3.25Å; P435-I439 WeakPolarHBondContact O-CG1 3.42Å; P435-I439 PolarHBondContact O-N 3.07Å; P435-L495 HydrophobicContact CG-CD1 4.06Å; P435-T506 HydrophobicContact CB-CG2 3.97Å |
| 436 | S | 91.7 | Very high | 90.3 | Very high | 80 Ų | 80 | 67.4 Ų | 67.4 | 56% | 0.559 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.1 | -46.7 | -179.9 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | E434 I440 | E434-S436 PolarHBondContact O-N 3.4Å; S436-I440 WeakPolarHBondContact O-CG1 3.49Å; S436-I440 PolarHBondContact O-N 3.24Å |
| 437 | F | 93.8 | Very high | 90.6 | Very high | 82 Ų | 82 | 66 Ų | 66 | 36% | 0.36 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 177.1 | 179.5 | -95.4 | 0 | 0 | 0 | 111.5 | W431 F432 E434 I439 I440 A441 | W431-F437 HydrophobicContact CE3-CD2 4.21Å; W431-F437 HydrophobicContact CE3-CE2 4.44Å; W431-F437 HydrophobicContact CH2-CE2 4.06Å; W431-F437 HydrophobicContact CH2-CZ 4.26Å; W431-F437 AromaticContact CZ3-CD2 3.66Å; W431-F437 HydrophobicContact CZ3-CD2 3.66Å; W431-F437 AromaticContact CZ3-CE2 3.51Å; W431-F437 HydrophobicContact CZ3-CE2 3.51Å; W431-F437 HydrophobicContact CZ3-CG 4.3Å; W431-F437 HydrophobicContact CZ3-CZ 4.03Å; F432-F437 HydrophobicContact CB-CD1 4.11Å; F432-F437 HydrophobicContact CB-CE1 3.98Å; F432-F437 VanDerWaalsContact O-CD1 3.31Å; F432-F437 WeakPolarHBondContact O-CD1 3.4Å; E434-F437 PolarHBondContact O-N 3.49Å; F437-I439 VanDerWaalsContact C-N 3.3Å; F437-I439 PolarHBondContact O-N 2.92Å; F437-I440 PolarHBondContact O-N 2.98Å; F437-A441 HydrophobicContact CD1-CB 4.43Å; F437-A441 HydrophobicContact CE1-CB 4.09Å; F437-A441 HydrophobicContact CZ-CB 4.31Å; F437-A441 VanDerWaalsContact O-CB 3.28Å; F437-A441 WeakPolarHBondContact O-CB 3.31Å; F437-A441 PolarHBondContact O-N 3.31Å |
| 438 | L | 92.2 | Very high | 90.7 | Very high | 20 Ų | 20 | 65.2 Ų | 65.2 | 11% | 0.105 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 177.2 | -72.5 | 172.6 | 0 | 0 | 0 | 112 | E434 P435 S442 L495 | E434-L438 WeakPolarHBondContact O-CG 3.44Å; E434-L438 PolarHBondContact O-N 3.48Å; P435-L438 PolarHBondContact O-N 3.24Å; L438-S442 WeakPolarHBondContact O-CB 2.96Å; L438-S442 PolarHBondContact O-N 2.8Å; L438-S442 PolarHBondContact O-OG 3.41Å; L438-S442 VanDerWaalsContact O-OG 3.1Å; L438-L495 HydrophobicContact CD1-CB 4.18Å; L438-L495 HydrophobicContact CD1-CD1 4.16Å |
| 439 | I | 95.2 | Very high | 90.8 | Very high | 32 Ų | 32 | 55.8 Ų | 55.8 | 16% | 0.164 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.5 | -53.4 | 176.8 | -73.8 | 161.8 | 0 | 0 | 0 | 110 | P435 F437 S442 T506 L509 S513 | P435-I439 WeakPolarHBondContact O-CB 3.3Å; P435-I439 WeakPolarHBondContact O-CD1 3.25Å; P435-I439 WeakPolarHBondContact O-CG1 3.42Å; P435-I439 PolarHBondContact O-N 3.07Å; F437-I439 VanDerWaalsContact C-N 3.3Å; F437-I439 PolarHBondContact O-N 2.92Å; I439-S442 PolarHBondContact O-N 2.98Å; I439-S442 PolarHBondContact O-OG 2.89Å; I439-T506 HydrophobicContact CD1-CG2 4.32Å; I439-T506 HydrophobicContact CG1-CG2 4.03Å; I439-L509 HydrophobicContact CD1-CB 3.73Å; I439-L509 HydrophobicContact CD1-CD1 3.89Å; I439-L509 HydrophobicContact CD1-CG 4.48Å; I439-L509 HydrophobicContact CG1-CB 3.87Å; I439-L509 HydrophobicContact CG2-CB 3.95Å; I439-S513 WeakPolarHBondContact O-CB 3.48Å; I439-S513 PolarHBondContact O-OG 3.41Å; I439-S513 VanDerWaalsContact O-OG 3.09Å |
| 440 | I | 94.5 | Very high | 91.1 | Very high | 92 Ų | 92 | 54 Ų | 54 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.5 | -51 | -177.7 | -64.9 | 168.9 | 0 | 0 | 0 | 110.5 | S436 F437 S442 G443 Y517 | S436-I440 WeakPolarHBondContact O-CG1 3.49Å; S436-I440 PolarHBondContact O-N 3.24Å; F437-I440 PolarHBondContact O-N 2.98Å; I440-S442 PolarHBondContact O-N 3.36Å; I440-G443 PolarHBondContact O-N 3.41Å; I440-Y517 WeakPolarHBondContact CG2-OH 3.39Å; I440-Y517 WeakPolarHBondContact O-CE2 3.5Å; I440-Y517 PolarHBondContact O-OH 3.05Å |
| 441 | A | 92.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 34% | 0.339 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.8 | -35.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F437 G443 L444 | F437-A441 HydrophobicContact CD1-CB 4.43Å; F437-A441 HydrophobicContact CE1-CB 4.09Å; F437-A441 HydrophobicContact CZ-CB 4.31Å; F437-A441 VanDerWaalsContact O-CB 3.28Å; F437-A441 WeakPolarHBondContact O-CB 3.31Å; F437-A441 PolarHBondContact O-N 3.31Å; A441-G443 VanDerWaalsContact C-N 3.29Å; A441-G443 PolarHBondContact O-N 3.02Å; A441-L444 PolarHBondContact O-N 3.4Å |
| 442 | S | 91.6 | Very high | 91.5 | Very high | 8 Ų | 8 | 45 Ų | 45 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -24.2 | -178.4 | 66.5 | 0 | 0 | 0 | 0 | 114.8 | L438 I439 I440 P446 V487 S510 S513 | L438-S442 WeakPolarHBondContact O-CB 2.96Å; L438-S442 PolarHBondContact O-N 2.8Å; L438-S442 PolarHBondContact O-OG 3.41Å; L438-S442 VanDerWaalsContact O-OG 3.1Å; I439-S442 PolarHBondContact O-N 2.98Å; I439-S442 PolarHBondContact O-OG 2.89Å; I440-S442 PolarHBondContact O-N 3.36Å; S442-P446 WeakPolarHBondContact O-CD 3.37Å; S442-P446 WeakPolarHBondContact O-CG 3.44Å; S442-V487 WeakPolarHBondContact O-CG1 3Å; S442-S510 WeakPolarHBondContact CB-OG 3.36Å; S442-S510 WeakPolarHBondContact OG-CA 3.44Å; S442-S510 VanDerWaalsContact OG-CB 3.27Å; S442-S510 WeakPolarHBondContact OG-CB 3.27Å; S442-S510 PolarHBondContact OG-O 3.46Å; S442-S510 PolarHBondContact OG-OG 3.26Å; S442-S513 PolarHBondContact OG-OG 3.29Å |
| 443 | G | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -80.3 | -18.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I440 A441 L445 P446 F447 S513 Y517 | I440-G443 PolarHBondContact O-N 3.41Å; A441-G443 VanDerWaalsContact C-N 3.29Å; A441-G443 PolarHBondContact O-N 3.02Å; G443-L445 PolarHBondContact O-N 3.46Å; G443-P446 WeakPolarHBondContact O-CD 3.48Å; G443-F447 VanDerWaalsContact O-CB 3.29Å; G443-F447 WeakPolarHBondContact O-CB 3.3Å; G443-F447 PolarHBondContact O-N 3.17Å; G443-S513 WeakPolarHBondContact CA-OG 3.27Å; G443-S513 PolarHBondContact N-OG 2.91Å; G443-Y517 VanDerWaalsContact C-CE2 3.48Å |
| 444 | L | 93.2 | Very high | 91.9 | Very high | 93 Ų | 93 | 40.2 Ų | 40.2 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.2 | -42.9 | -175.5 | -176.7 | 62.6 | 0 | 0 | 0 | 112.1 | A441 G448 Y517 | A441-L444 PolarHBondContact O-N 3.4Å; L444-G448 PolarHBondContact O-N 2.99Å; L444-Y517 HydrophobicContact CB-CE2 4.4Å; L444-Y517 HydrophobicContact CD1-CD1 4.36Å; L444-Y517 HydrophobicContact CD1-CE1 3.91Å |
| 445 | L | 90.9 | Very high | 92 | Very high | 61 Ų | 61 | 39.1 Ų | 39.1 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.4 | -47.8 | -178.8 | -54.7 | 178.2 | 0 | 0 | 0 | 112.7 | M221 L225 G443 F447 G448 S449 V487 | M221-L445 HydrophobicContact CE-CB 4.47Å; M221-L445 HydrophobicContact CE-CD2 3.73Å; L225-L445 HydrophobicContact CD1-CD1 4.33Å; L225-L445 HydrophobicContact CD2-CD1 3.9Å; G443-L445 PolarHBondContact O-N 3.46Å; L445-F447 VanDerWaalsContact C-N 3.28Å; L445-F447 PolarHBondContact O-N 2.86Å; L445-G448 PolarHBondContact O-N 2.85Å; L445-S449 PolarHBondContact O-N 3.36Å; L445-S449 VanDerWaalsContact O-N 3.08Å; L445-V487 HydrophobicContact CB-CG2 4.19Å; L445-V487 HydrophobicContact CD1-CG2 4.04Å |
| 446 | P | 93.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.013 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -37.7 | 171.2 | -24.5 | 32.7 | 0 | 0 | 0 | 113.8 | S442 G443 S449 I450 L480 V483 I514 | S442-P446 WeakPolarHBondContact O-CD 3.37Å; S442-P446 WeakPolarHBondContact O-CG 3.44Å; G443-P446 WeakPolarHBondContact O-CD 3.48Å; P446-S449 PolarHBondContact O-N 3.39Å; P446-S449 PolarHBondContact O-OG 3.39Å; P446-I450 PolarHBondContact O-N 3.3Å; P446-L480 HydrophobicContact CB-CD1 3.98Å; P446-V483 HydrophobicContact CB-CG1 4.27Å; P446-V483 HydrophobicContact CG-CG1 3.98Å; P446-I514 HydrophobicContact CB-CD1 3.85Å; P446-I514 HydrophobicContact CB-CG1 4.42Å |
| 447 | F | 93.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 35.4 Ų | 35.4 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 174.7 | 174.5 | -106 | 0 | 0 | 0 | 111.5 | G443 L445 S449 I450 F451 L454 I514 Y517 Y521 | G443-F447 VanDerWaalsContact O-CB 3.29Å; G443-F447 WeakPolarHBondContact O-CB 3.3Å; G443-F447 PolarHBondContact O-N 3.17Å; L445-F447 VanDerWaalsContact C-N 3.28Å; L445-F447 PolarHBondContact O-N 2.86Å; F447-S449 VanDerWaalsContact C-N 3.26Å; F447-S449 PolarHBondContact O-N 3.5Å; F447-I450 PolarHBondContact O-N 3.14Å; F447-I450 VanDerWaalsContact O-N 3.17Å; F447-F451 AromaticContact CE1-CD2 3.83Å; F447-F451 HydrophobicContact CE1-CD2 3.83Å; F447-F451 HydrophobicContact CE1-CE2 4.43Å; F447-F451 HydrophobicContact CE2-CD2 4.36Å; F447-F451 AromaticContact CZ-CD2 3.57Å; F447-F451 HydrophobicContact CZ-CD2 3.57Å; F447-F451 HydrophobicContact CZ-CE2 4.13Å; F447-F451 PolarHBondContact O-N 3.29Å; F447-L454 HydrophobicContact CE2-CD2 3.96Å; F447-I514 HydrophobicContact CB-CG1 4.18Å; F447-Y517 HydrophobicContact CB-CD2 4.46Å; F447-Y517 HydrophobicContact CB-CG 4.2Å; F447-Y517 HydrophobicContact CD1-CG 4.39Å; F447-Y517 VanDerWaalsContact CG-CB 3.41Å; F447-Y517 HydrophobicContact CG-CG 4.21Å; F447-Y521 HydrophobicContact CE2-CG 4.47Å; F447-Y521 HydrophobicContact CZ-CD2 4.48Å; F447-Y521 HydrophobicContact CZ-CG 4.17Å |
| 448 | G | 90.4 | Very high | 91.7 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 38% | 0.381 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.7 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L444 L445 | L444-G448 PolarHBondContact O-N 2.99Å; L445-G448 PolarHBondContact O-N 2.85Å |
| 449 | S | 89.3 | Confident | 91.6 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 177.6 | 64 | 0 | 0 | 0 | 0 | 112.6 | S218 L445 P446 F447 | S218-S449 WeakPolarHBondContact OG-CA 3.4Å; S218-S449 WeakPolarHBondContact OG-CB 3.36Å; S218-S449 PolarHBondContact OG-O 3.46Å; L445-S449 PolarHBondContact O-N 3.36Å; L445-S449 VanDerWaalsContact O-N 3.08Å; P446-S449 PolarHBondContact O-N 3.39Å; P446-S449 PolarHBondContact O-OG 3.39Å; F447-S449 VanDerWaalsContact C-N 3.26Å; F447-S449 PolarHBondContact O-N 3.5Å |
| 450 | I | 91.2 | Very high | 91.3 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.056 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -90.1 | -6.1 | -177.4 | 68 | 166.9 | 0 | 0 | 0 | 114.2 | P446 F447 I452 E453 L454 V476 L480 I514 | P446-I450 PolarHBondContact O-N 3.3Å; F447-I450 PolarHBondContact O-N 3.14Å; F447-I450 VanDerWaalsContact O-N 3.17Å; I450-I452 VanDerWaalsContact C-N 3.33Å; I450-I452 PolarHBondContact O-N 2.84Å; I450-E453 PolarHBondContact O-N 3.14Å; I450-L454 VanDerWaalsContact O-CB 3.32Å; I450-L454 WeakPolarHBondContact O-CB 3.37Å; I450-L454 PolarHBondContact O-N 2.91Å; I450-V476 HydrophobicContact CG2-CG1 3.96Å; I450-L480 HydrophobicContact CG2-CB 3.91Å; I450-L480 HydrophobicContact CG2-CD1 3.84Å; I450-L480 HydrophobicContact CG2-CD2 4.12Å; I450-L480 HydrophobicContact CG2-CG 4.16Å; I450-I514 HydrophobicContact CD1-CD1 3.54Å; I450-I514 HydrophobicContact CD1-CG1 4.33Å; I450-I514 HydrophobicContact CG1-CD1 4.15Å |
| 451 | F | 91.3 | Very high | 91 | Very high | 84 Ų | 84 | 31.9 Ų | 31.9 | 37% | 0.368 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -52.5 | -46.4 | -169 | 177.3 | -101.7 | 0 | 0 | 0 | 113.9 | F447 L454 Y455 Y521 | F447-F451 AromaticContact CE1-CD2 3.83Å; F447-F451 HydrophobicContact CE1-CD2 3.83Å; F447-F451 HydrophobicContact CE1-CE2 4.43Å; F447-F451 HydrophobicContact CE2-CD2 4.36Å; F447-F451 AromaticContact CZ-CD2 3.57Å; F447-F451 HydrophobicContact CZ-CD2 3.57Å; F447-F451 HydrophobicContact CZ-CE2 4.13Å; F447-F451 PolarHBondContact O-N 3.29Å; F451-L454 PolarHBondContact O-N 3.42Å; F451-Y455 PolarHBondContact O-N 2.95Å; F451-Y521 HydrophobicContact CD2-CD2 4.38Å; F451-Y521 HydrophobicContact CD2-CE2 4.26Å; F451-Y521 AromaticContact CE2-CD2 3.6Å; F451-Y521 HydrophobicContact CE2-CD2 3.6Å; F451-Y521 AromaticContact CE2-CE2 3.32Å; F451-Y521 HydrophobicContact CE2-CE2 3.32Å; F451-Y521 HydrophobicContact CE2-CG 4.38Å; F451-Y521 AromaticContact CE2-CZ 3.91Å; F451-Y521 HydrophobicContact CZ-CD2 4.43Å; F451-Y521 AromaticContact CZ-CE2 3.77Å; F451-Y521 HydrophobicContact CZ-CE2 3.77Å |
| 452 | I | 90.1 | Very high | 90.8 | Very high | 41 Ų | 41 | 30.6 Ų | 30.6 | 21% | 0.21 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.4 | -45.7 | -177.5 | -64.2 | 170.8 | 0 | 0 | 0 | 110.7 | I210 F213 I450 L454 Y455 F456 | I210-I452 HydrophobicContact CG2-CG2 4.15Å; F213-I452 HydrophobicContact CD1-CD1 3.95Å; F213-I452 HydrophobicContact CE1-CD1 4.03Å; I450-I452 VanDerWaalsContact C-N 3.33Å; I450-I452 PolarHBondContact O-N 2.84Å; I452-L454 VanDerWaalsContact C-N 3.32Å; I452-L454 PolarHBondContact O-N 3.33Å; I452-Y455 WeakPolarHBondContact O-CB 3.32Å; I452-Y455 PolarHBondContact O-N 3.25Å; I452-F456 HydrophobicContact CG2-CD2 4.09Å; I452-F456 HydrophobicContact CG2-CE2 3.7Å; I452-F456 WeakPolarHBondContact O-CD2 3.28Å; I452-F456 PolarHBondContact O-N 3.35Å |
| 453 | E | 89.7 | Confident | 90.2 | Very high | 6 Ų | 6 | 31.9 Ų | 31.9 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.3 | -35.8 | 176.9 | -68 | -52.4 | 135.3 | 0 | 0 | 112.4 | H211 S214 I450 Y455 F456 V457 V476 | H211-E453 IonicContact CE1-OE1 2.77Å; H211-E453 IonicContact CE1-OE2 3.67Å; H211-E453 IonicContact CG-OE1 2.72Å; H211-E453 IonicContact ND1-OE1 2.89Å; H211-E453 PolarHBondContact ND1-OE1 2.92Å; H211-E453 IonicContact ND1-OE2 2.97Å; H211-E453 PolarHBondContact ND1-OE2 3.45Å; S214-E453 WeakPolarHBondContact CB-OE1 3.49Å; S214-E453 PolarHBondContact OG-OE1 3.27Å; I450-E453 PolarHBondContact O-N 3.14Å; E453-Y455 PolarHBondContact O-N 2.71Å; E453-F456 PolarHBondContact O-N 3.32Å; E453-F456 VanDerWaalsContact O-N 3.09Å; E453-V457 WeakPolarHBondContact O-CG2 3.38Å; E453-V457 PolarHBondContact O-N 3.37Å; E453-V476 HydrophobicContact CB-CG1 4.27Å; E453-V476 HydrophobicContact CG-CB 4.15Å; E453-V476 HydrophobicContact CG-CG1 3.96Å; E453-V476 HydrophobicContact CG-CG2 3.6Å |
| 454 | L | 91.7 | Very high | 89.1 | Confident | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -38.9 | 175.6 | -174.3 | 64.7 | 0 | 0 | 0 | 111.3 | F447 I450 F451 I452 V457 F458 A518 Y521 F548 | F447-L454 HydrophobicContact CE2-CD2 3.96Å; I450-L454 VanDerWaalsContact O-CB 3.32Å; I450-L454 WeakPolarHBondContact O-CB 3.37Å; I450-L454 PolarHBondContact O-N 2.91Å; F451-L454 PolarHBondContact O-N 3.42Å; I452-L454 VanDerWaalsContact C-N 3.32Å; I452-L454 PolarHBondContact O-N 3.33Å; L454-V457 PolarHBondContact O-N 3.13Å; L454-F458 HydrophobicContact CD1-CD1 3.89Å; L454-F458 HydrophobicContact CD1-CE1 3.33Å; L454-F458 HydrophobicContact CD1-CE2 4.47Å; L454-F458 HydrophobicContact CD1-CZ 3.67Å; L454-F458 HydrophobicContact CD2-CZ 4.27Å; L454-F458 HydrophobicContact CG-CD1 4.29Å; L454-F458 HydrophobicContact CG-CE1 3.96Å; L454-F458 HydrophobicContact CG-CE2 4.29Å; L454-F458 HydrophobicContact CG-CZ 3.95Å; L454-F458 WeakPolarHBondContact O-CB 3.08Å; L454-F458 WeakPolarHBondContact O-CD1 3.47Å; L454-F458 WeakPolarHBondContact O-CG 3.29Å; L454-F458 PolarHBondContact O-N 3Å; L454-A518 HydrophobicContact CD2-CB 4.33Å; L454-Y521 HydrophobicContact CD2-CD1 3.64Å; L454-Y521 HydrophobicContact CD2-CE1 4.18Å; L454-Y521 HydrophobicContact CD2-CG 4.47Å; L454-Y521 HydrophobicContact CG-CD1 4.1Å; L454-Y521 HydrophobicContact CG-CE1 4.21Å; L454-F548 HydrophobicContact CD1-CE1 3.52Å; L454-F548 HydrophobicContact CD1-CZ 3.72Å |
| 455 | Y | 91.3 | Very high | 88.5 | Confident | 70 Ų | 70 | 34.2 Ų | 34.2 | 28% | 0.275 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -62.1 | -43.3 | 173.5 | 173.5 | -100.8 | 0 | 0 | 0 | 112.7 | F205 F451 I452 E453 F458 T459 Y521 Y525 | F205-Y455 HydrophobicContact CZ-CE1 4.23Å; F451-Y455 PolarHBondContact O-N 2.95Å; I452-Y455 WeakPolarHBondContact O-CB 3.32Å; I452-Y455 PolarHBondContact O-N 3.25Å; E453-Y455 PolarHBondContact O-N 2.71Å; Y455-F458 PolarHBondContact O-N 3.35Å; Y455-T459 WeakPolarHBondContact O-CB 3.47Å; Y455-T459 PolarHBondContact O-N 3.07Å; Y455-T459 PolarHBondContact O-OG1 3.06Å; Y455-Y521 WeakPolarHBondContact CB-OH 3.29Å; Y455-Y521 VanDerWaalsContact CD2-OH 3.3Å; Y455-Y521 WeakPolarHBondContact CD2-OH 3.46Å; Y455-Y525 HydrophobicContact CD2-CD2 4.29Å; Y455-Y525 AromaticContact CD2-CE2 3.82Å; Y455-Y525 HydrophobicContact CD2-CE2 3.82Å; Y455-Y525 AromaticContact CE2-CE2 3.87Å; Y455-Y525 HydrophobicContact CE2-CE2 3.87Å |
| 456 | F | 89.5 | Confident | 88.3 | Confident | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.5 | -44.7 | 177.3 | -75.8 | -70.2 | 0 | 0 | 0 | 111.8 | F205 F206 I210 H211 I452 E453 T459 S460 Y467 | F205-F456 HydrophobicContact CD1-CD1 4.28Å; F205-F456 HydrophobicContact CD1-CE1 4.33Å; F205-F456 AromaticContact CE1-CD1 3.56Å; F205-F456 HydrophobicContact CE1-CD1 3.56Å; F205-F456 AromaticContact CE1-CE1 3.9Å; F205-F456 HydrophobicContact CE1-CE1 3.9Å; F205-F456 AromaticContact CZ-CD1 3.89Å; F205-F456 HydrophobicContact CZ-CD1 3.89Å; F205-F456 HydrophobicContact CZ-CE1 4.01Å; F206-F456 HydrophobicContact CD1-CD1 4.1Å; F206-F456 HydrophobicContact CE1-CB 4.5Å; F206-F456 HydrophobicContact CE1-CD1 4.19Å; I210-F456 HydrophobicContact CB-CE2 4.38Å; I210-F456 HydrophobicContact CB-CZ 4.02Å; I210-F456 HydrophobicContact CD1-CZ 4.32Å; I210-F456 HydrophobicContact CG2-CE2 3.7Å; I210-F456 HydrophobicContact CG2-CZ 3.64Å; H211-F456 AromaticContact CE1-CD1 3.98Å; H211-F456 AromaticContact CE1-CD2 3.52Å; H211-F456 AromaticContact CE1-CE2 3.78Å; H211-F456 AromaticContact CE1-CG 3.64Å; H211-F456 AromaticContact ND1-CD2 3.96Å; I452-F456 HydrophobicContact CG2-CD2 4.09Å; I452-F456 HydrophobicContact CG2-CE2 3.7Å; I452-F456 WeakPolarHBondContact O-CD2 3.28Å; I452-F456 PolarHBondContact O-N 3.35Å; E453-F456 PolarHBondContact O-N 3.32Å; E453-F456 VanDerWaalsContact O-N 3.09Å; F456-T459 PolarHBondContact O-N 3.19Å; F456-S460 WeakPolarHBondContact O-CB 3.48Å; F456-S460 PolarHBondContact O-N 3.42Å; F456-S460 PolarHBondContact O-OG 2.97Å; F456-Y467 HydrophobicContact CB-CE2 4.4Å |
| 457 | V | 90.2 | Very high | 88 | Confident | 21 Ų | 21 | 34.3 Ų | 34.3 | 13% | 0.127 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -50.9 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 109.8 | E453 L454 T459 S460 F461 Y467 | E453-V457 WeakPolarHBondContact O-CG2 3.38Å; E453-V457 PolarHBondContact O-N 3.37Å; L454-V457 PolarHBondContact O-N 3.13Å; V457-T459 VanDerWaalsContact C-N 3.35Å; V457-T459 PolarHBondContact O-N 2.99Å; V457-S460 PolarHBondContact O-N 3.3Å; V457-S460 VanDerWaalsContact O-N 3.11Å; V457-F461 HydrophobicContact CG1-CD2 3.68Å; V457-F461 HydrophobicContact CG1-CE2 3.78Å; V457-F461 VanDerWaalsContact O-CD2 3.29Å; V457-F461 WeakPolarHBondContact O-CD2 3.28Å; V457-F461 PolarHBondContact O-N 3.28Å; V457-Y467 HydrophobicContact CG2-CE2 4.39Å |
| 458 | F | 92.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 179.3 | -77.9 | 13.4 | 0 | 0 | 0 | 112 | L454 Y455 S460 F461 W462 Y521 Y525 M545 F548 | L454-F458 HydrophobicContact CD1-CD1 3.89Å; L454-F458 HydrophobicContact CD1-CE1 3.33Å; L454-F458 HydrophobicContact CD1-CE2 4.47Å; L454-F458 HydrophobicContact CD1-CZ 3.67Å; L454-F458 HydrophobicContact CD2-CZ 4.27Å; L454-F458 HydrophobicContact CG-CD1 4.29Å; L454-F458 HydrophobicContact CG-CE1 3.96Å; L454-F458 HydrophobicContact CG-CE2 4.29Å; L454-F458 HydrophobicContact CG-CZ 3.95Å; L454-F458 WeakPolarHBondContact O-CB 3.08Å; L454-F458 WeakPolarHBondContact O-CD1 3.47Å; L454-F458 WeakPolarHBondContact O-CG 3.29Å; L454-F458 PolarHBondContact O-N 3Å; Y455-F458 PolarHBondContact O-N 3.35Å; F458-S460 VanDerWaalsContact C-N 3.26Å; F458-S460 PolarHBondContact O-N 2.94Å; F458-F461 PolarHBondContact O-N 3.31Å; F458-W462 VanDerWaalsContact O-CB 3.25Å; F458-W462 WeakPolarHBondContact O-CB 3.49Å; F458-W462 PolarHBondContact O-N 3.1Å; F458-Y521 AromaticContact CD2-CD1 3.97Å; F458-Y521 HydrophobicContact CD2-CD1 3.97Å; F458-Y521 AromaticContact CD2-CE1 3.77Å; F458-Y521 HydrophobicContact CD2-CE1 3.77Å; F458-Y521 AromaticContact CE2-CD1 3.6Å; F458-Y521 HydrophobicContact CE2-CD1 3.6Å; F458-Y521 AromaticContact CE2-CE1 3.91Å; F458-Y521 HydrophobicContact CE2-CE1 3.91Å; F458-Y521 HydrophobicContact CZ-CD1 4.46Å; F458-Y525 HydrophobicContact CB-CD1 4.4Å; F458-Y525 HydrophobicContact CB-CD2 4.24Å; F458-Y525 HydrophobicContact CB-CE1 4.16Å; F458-Y525 HydrophobicContact CB-CE2 3.98Å; F458-Y525 HydrophobicContact CB-CG 4.46Å; F458-Y525 HydrophobicContact CD2-CD1 4.29Å; F458-Y525 HydrophobicContact CD2-CD2 4.14Å; F458-Y525 AromaticContact CD2-CG 3.93Å; F458-Y525 HydrophobicContact CD2-CG 3.93Å; F458-M545 HydrophobicContact CD1-SD 4.22Å; F458-M545 HydrophobicContact CE1-CE 4.45Å; F458-M545 HydrophobicContact CE1-SD 3.65Å; F458-M545 HydrophobicContact CE2-SD 4.24Å; F458-M545 HydrophobicContact CZ-SD 3.67Å; F458-F548 HydrophobicContact CE1-CD1 4.14Å; F458-F548 AromaticContact CE1-CE1 3.78Å; F458-F548 HydrophobicContact CE1-CE1 3.78Å; F458-F548 HydrophobicContact CE1-CZ 4.34Å; F458-F548 HydrophobicContact CZ-CE1 4.33Å |
| 459 | T | 89.9 | Confident | 87.5 | Confident | 8 Ų | 8 | 33 Ų | 33 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.1 | -32.6 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 112 | F205 Y455 F456 V457 A463 K465 Y525 | F205-T459 HydrophobicContact CE1-CG2 3.95Å; F205-T459 HydrophobicContact CE2-CG2 4.17Å; F205-T459 HydrophobicContact CZ-CG2 3.44Å; F205-T459 VanDerWaalsContact CZ-CG2 3.44Å; Y455-T459 WeakPolarHBondContact O-CB 3.47Å; Y455-T459 PolarHBondContact O-N 3.07Å; Y455-T459 PolarHBondContact O-OG1 3.06Å; F456-T459 PolarHBondContact O-N 3.19Å; V457-T459 VanDerWaalsContact C-N 3.35Å; V457-T459 PolarHBondContact O-N 2.99Å; T459-A463 HydrophobicContact CG2-CB 3.7Å; T459-A463 CarbonylContact O-C 3.56Å; T459-A463 WeakPolarHBondContact O-CA 3.43Å; T459-A463 WeakPolarHBondContact O-CB 3.43Å; T459-A463 PolarHBondContact O-N 3.03Å; T459-K465 HydrophobicContact CG2-CD 4.43Å; T459-Y525 WeakPolarHBondContact CA-OH 3.5Å; T459-Y525 PolarHBondContact N-OH 3.31Å; T459-Y525 PolarHBondContact OG1-OH 3.26Å |
| 460 | S | 88.4 | Confident | 87.6 | Confident | 10 Ų | 10 | 33.6 Ų | 33.6 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.5 | -49.2 | 177.6 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | F206 F456 V457 F458 W462 K465 Y467 | F206-S460 VanDerWaalsContact CZ-OG 3.31Å; F206-S460 WeakPolarHBondContact CZ-OG 3.44Å; F456-S460 WeakPolarHBondContact O-CB 3.48Å; F456-S460 PolarHBondContact O-N 3.42Å; F456-S460 PolarHBondContact O-OG 2.97Å; V457-S460 PolarHBondContact O-N 3.3Å; V457-S460 VanDerWaalsContact O-N 3.11Å; F458-S460 VanDerWaalsContact C-N 3.26Å; F458-S460 PolarHBondContact O-N 2.94Å; S460-W462 PolarHBondContact O-N 3.06Å; S460-K465 CarbonylContact C-O 3.22Å; S460-K465 VanDerWaalsContact CA-O 3.22Å; S460-K465 WeakPolarHBondContact CA-O 3.49Å; S460-K465 VanDerWaalsContact CB-O 3.23Å; S460-K465 WeakPolarHBondContact CB-O 3.4Å; S460-Y467 WeakPolarHBondContact OG-CD2 3.35Å |
| 461 | F | 87.5 | Confident | 87.5 | Confident | 132 Ų | 132 | 34.4 Ų | 34.4 | 58% | 0.579 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -66.3 | -35.7 | 179.3 | -82.8 | -79.2 | 0 | 0 | 0 | 113.2 | V457 F458 | V457-F461 HydrophobicContact CG1-CD2 3.68Å; V457-F461 HydrophobicContact CG1-CE2 3.78Å; V457-F461 VanDerWaalsContact O-CD2 3.29Å; V457-F461 WeakPolarHBondContact O-CD2 3.28Å; V457-F461 PolarHBondContact O-N 3.28Å; F458-F461 PolarHBondContact O-N 3.31Å |
| 462 | W | 88.8 | Confident | 87.4 | Confident | 15 Ų | 15 | 32.1 Ų | 32.1 | 6% | 0.057 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -105.3 | -23.6 | -172.2 | -59.1 | 123.3 | 0 | 0 | 0 | 114.5 | Q45 F458 S460 Y525 M532 F540 Y541 M545 | Q45-W462 HydrophobicContact CG-CE3 4.41Å; Q45-W462 HydrophobicContact CG-CZ3 3.94Å; F458-W462 VanDerWaalsContact O-CB 3.25Å; F458-W462 WeakPolarHBondContact O-CB 3.49Å; F458-W462 PolarHBondContact O-N 3.1Å; S460-W462 PolarHBondContact O-N 3.06Å; W462-Y525 HydrophobicContact CB-CE1 4.32Å; W462-M532 HydrophobicContact CB-CE 3.75Å; W462-M532 HydrophobicContact CD2-CE 4.42Å; W462-M532 HydrophobicContact CE3-CE 4.07Å; W462-M532 HydrophobicContact CG-CE 4.34Å; W462-F540 AromaticContact CH2-CD1 3.89Å; W462-F540 HydrophobicContact CH2-CD1 3.89Å; W462-F540 HydrophobicContact CH2-CE1 4.03Å; W462-F540 AromaticContact CZ3-CD1 3.84Å; W462-F540 HydrophobicContact CZ3-CD1 3.84Å; W462-F540 AromaticContact CZ3-CE1 3.98Å; W462-F540 HydrophobicContact CZ3-CE1 3.98Å; W462-Y541 AromaticContact CD1-CE2 3.62Å; W462-Y541 AromaticContact CD2-CD2 3.63Å; W462-Y541 HydrophobicContact CD2-CD2 3.63Å; W462-Y541 AromaticContact CD2-CE2 3.84Å; W462-Y541 HydrophobicContact CD2-CE2 3.84Å; W462-Y541 AromaticContact CE2-CD2 3.38Å; W462-Y541 AromaticContact CE2-CE2 3.48Å; W462-Y541 VanDerWaalsContact CE2-CE2 3.48Å; W462-Y541 AromaticContact CE3-CD2 4Å; W462-Y541 HydrophobicContact CE3-CD2 4Å; W462-Y541 HydrophobicContact CG-CD2 4.17Å; W462-Y541 AromaticContact CG-CE2 3.93Å; W462-Y541 HydrophobicContact CG-CE2 3.93Å; W462-Y541 AromaticContact CH2-CD2 3.97Å; W462-Y541 HydrophobicContact CH2-CD2 3.97Å; W462-Y541 HydrophobicContact CH2-CG 4.48Å; W462-Y541 AromaticContact CZ2-CD2 3.55Å; W462-Y541 HydrophobicContact CZ2-CD2 3.55Å; W462-Y541 HydrophobicContact CZ2-CE2 4.02Å; W462-Y541 HydrophobicContact CZ2-CG 4.24Å; W462-Y541 HydrophobicContact CZ3-CD2 4.17Å; W462-Y541 AromaticContact NE1-CD2 3.77Å; W462-Y541 AromaticContact NE1-CE2 3.33Å; W462-Y541 VanDerWaalsContact NE1-CE2 3.33Å; W462-M545 HydrophobicContact CZ2-CE 3.46Å; W462-M545 VanDerWaalsContact CZ2-CE 3.46Å; W462-M545 HydrophobicContact CZ2-CG 4Å; W462-M545 HydrophobicContact CZ2-SD 4.12Å |
| 463 | A | 79.4 | Confident | 87.4 | Confident | 35 Ų | 35 | 31.5 Ų | 31.5 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -113.4 | 23 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R44 T459 K465 | R44-A463 PolarHBondContact NH1-O 2.99Å; T459-A463 HydrophobicContact CG2-CB 3.7Å; T459-A463 CarbonylContact O-C 3.56Å; T459-A463 WeakPolarHBondContact O-CA 3.43Å; T459-A463 WeakPolarHBondContact O-CB 3.43Å; T459-A463 PolarHBondContact O-N 3.03Å; A463-K465 PolarHBondContact O-N 3.17Å |
| 464 | Y | 69.2 | Low | 87.6 | Confident | 89 Ų | 89 | 32.2 Ų | 32.2 | 35% | 0.349 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 33.4 | 169.7 | -151 | -87.9 | 0 | 0 | 0 | 113.6 | W119 Q121 W130 | W119-Y464 AromaticContact CH2-CE2 3.92Å; W119-Y464 HydrophobicContact CH2-CE2 3.92Å; W119-Y464 HydrophobicContact CZ3-CE2 4.48Å; Q121-Y464 PolarHBondContact NE2-OH 3.04Å; W130-Y464 HydrophobicContact CD2-CE1 4.02Å; W130-Y464 AromaticContact CE2-CE1 3.27Å; W130-Y464 AromaticContact CE2-CZ 3.51Å; W130-Y464 AromaticContact CH2-CE1 3.83Å; W130-Y464 HydrophobicContact CH2-CE1 3.83Å; W130-Y464 HydrophobicContact CZ2-CD1 4.43Å; W130-Y464 AromaticContact CZ2-CE1 3.2Å; W130-Y464 HydrophobicContact CZ2-CE1 3.2Å; W130-Y464 AromaticContact CZ2-CZ 3.58Å; W130-Y464 WeakPolarHBondContact CZ2-OH 3.26Å; W130-Y464 HydrophobicContact CZ3-CE1 4.44Å; W130-Y464 AromaticContact NE1-CE1 3.54Å; W130-Y464 AromaticContact NE1-CZ 3.3Å; W130-Y464 VanDerWaalsContact NE1-CZ 3.3Å; W130-Y464 PolarHBondContact NE1-OH 3.31Å |
| 465 | K | 81.6 | Confident | 87.6 | Confident | 53 Ų | 53 | 35.4 Ų | 35.4 | 23% | 0.23 | 18% | 0.176 | C | C | . | . | trans | -96.6 | 125.3 | 168.2 | -60.8 | -163.9 | 178.5 | -151.7 | 0 | 107.7 | D202 F205 F206 T459 S460 A463 Y467 | D202-K465 WeakPolarHBondContact OD2-CE 2.99Å; D202-K465 IonicContact OD2-NZ 3.65Å; D202-K465 PolarHBondContact OD2-NZ 2.87Å; F205-K465 HydrophobicContact CB-CD 4.05Å; F205-K465 HydrophobicContact CD1-CD 3.27Å; F205-K465 HydrophobicContact CD2-CD 4.11Å; F205-K465 HydrophobicContact CE1-CD 3.63Å; F205-K465 HydrophobicContact CE2-CD 4.41Å; F205-K465 HydrophobicContact CG-CD 3.54Å; F205-K465 HydrophobicContact CZ-CD 4.2Å; F206-K465 HydrophobicContact CE2-CB 4.02Å; F206-K465 HydrophobicContact CZ-CB 4.14Å; T459-K465 HydrophobicContact CG2-CD 4.43Å; S460-K465 CarbonylContact C-O 3.22Å; S460-K465 VanDerWaalsContact CA-O 3.22Å; S460-K465 WeakPolarHBondContact CA-O 3.49Å; S460-K465 VanDerWaalsContact CB-O 3.23Å; S460-K465 WeakPolarHBondContact CB-O 3.4Å; A463-K465 PolarHBondContact O-N 3.17Å; K465-Y467 PolarHBondContact O-N 3.39Å; K465-Y467 VanDerWaalsContact O-N 3.15Å | ||
| 466 | I | 85.6 | Confident | 87.7 | Confident | 40 Ų | 40 | 32.4 Ų | 32.4 | 21% | 0.205 | 17% | 0.165 | C | C | . | . | trans | -69.6 | 115.8 | 177.4 | -56.9 | 178.1 | 0 | 0 | 0 | 107.3 | F197 L201 F206 Y307 F468 | F197-I466 HydrophobicContact CE1-CD1 3.48Å; F197-I466 VanDerWaalsContact CE1-CD1 3.48Å; F197-I466 HydrophobicContact CE1-CG2 4.16Å; F197-I466 HydrophobicContact CZ-CD1 3.6Å; L201-I466 HydrophobicContact CD2-CB 4.13Å; L201-I466 HydrophobicContact CD2-CG2 4.05Å; F206-I466 VanDerWaalsContact CE2-O 3.31Å; F206-I466 WeakPolarHBondContact CE2-O 3.33Å; Y307-I466 HydrophobicContact CD2-CG2 4.49Å; I466-F468 PolarHBondContact O-N 3.22Å | ||
| 467 | Y | 86.5 | Confident | 87.9 | Confident | 25 Ų | 25 | 33 Ų | 33 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | trans | -74.8 | 114.2 | 176.6 | -168.5 | -94.4 | 0 | 0 | 0 | 109.2 | F206 F456 V457 S460 K465 V469 F470 T473 | F206-Y467 AromaticContact CE1-CD2 3.66Å; F206-Y467 HydrophobicContact CE1-CD2 3.66Å; F206-Y467 HydrophobicContact CE1-CE2 4.02Å; F206-Y467 HydrophobicContact CZ-CD2 4.01Å; F456-Y467 HydrophobicContact CB-CE2 4.4Å; V457-Y467 HydrophobicContact CG2-CE2 4.39Å; S460-Y467 WeakPolarHBondContact OG-CD2 3.35Å; K465-Y467 PolarHBondContact O-N 3.39Å; K465-Y467 VanDerWaalsContact O-N 3.15Å; Y467-V469 HydrophobicContact CE1-CB 4.44Å; Y467-V469 HydrophobicContact CE2-CB 4.42Å; Y467-V469 PolarHBondContact OH-O 3Å; Y467-F470 HydrophobicContact CD1-CD1 4.02Å; Y467-F470 AromaticContact CD1-CE1 3.81Å; Y467-F470 HydrophobicContact CD1-CE1 3.81Å; Y467-F470 HydrophobicContact CD1-CG 4.49Å; Y467-F470 HydrophobicContact CD1-CZ 4.08Å; Y467-F470 HydrophobicContact CE1-CD1 4.09Å; Y467-F470 HydrophobicContact CE1-CE1 4.33Å; Y467-F470 HydrophobicContact CE1-CG 4.48Å; Y467-F470 WeakPolarHBondContact O-CE2 3.48Å; Y467-F470 WeakPolarHBondContact O-CZ 3.41Å; Y467-T473 WeakPolarHBondContact CE1-OG1 3.25Å; Y467-T473 VanDerWaalsContact CZ-OG1 3.23Å; Y467-T473 PolarHBondContact OH-OG1 3.39Å | ||
| 468 | F | 87.6 | Confident | 88.1 | Confident | 29 Ų | 29 | 37.4 Ų | 37.4 | 13% | 0.127 | 19% | 0.186 | C | C | . | . | trans | -113.8 | -7.7 | 178.1 | 67.7 | -91.3 | 0 | 0 | 0 | 113.3 | L201 Y203 F206 Y307 I466 F470 | L201-F468 HydrophobicContact CB-CD1 3.99Å; L201-F468 HydrophobicContact CB-CE1 4.04Å; L201-F468 HydrophobicContact CD1-CB 4.08Å; L201-F468 HydrophobicContact CD1-CD1 4.22Å; L201-F468 HydrophobicContact CD1-CD2 4.38Å; L201-F468 HydrophobicContact CD1-CG 4Å; L201-F468 HydrophobicContact CD2-CB 3.95Å; L201-F468 HydrophobicContact CD2-CD1 3.92Å; L201-F468 HydrophobicContact CD2-CG 4.18Å; L201-F468 HydrophobicContact CG-CD1 4.26Å; L201-F468 HydrophobicContact CG-CG 4.49Å; Y203-F468 HydrophobicContact CD1-CE1 4.43Å; Y203-F468 AromaticContact CD1-CE2 3.94Å; Y203-F468 HydrophobicContact CD1-CE2 3.94Å; Y203-F468 AromaticContact CD1-CZ 3.52Å; Y203-F468 HydrophobicContact CD1-CZ 3.52Å; Y203-F468 AromaticContact CE1-CE2 3.64Å; Y203-F468 HydrophobicContact CE1-CE2 3.64Å; Y203-F468 AromaticContact CE1-CZ 3.65Å; Y203-F468 HydrophobicContact CE1-CZ 3.65Å; Y203-F468 HydrophobicContact CG-CZ 4.25Å; F206-F468 HydrophobicContact CB-CE1 3.77Å; F206-F468 HydrophobicContact CB-CZ 3.76Å; F206-F468 AromaticContact CD2-CD1 3.88Å; F206-F468 HydrophobicContact CD2-CD1 3.88Å; F206-F468 AromaticContact CD2-CE1 3.34Å; F206-F468 HydrophobicContact CD2-CE1 3.34Å; F206-F468 HydrophobicContact CD2-CZ 4.22Å; F206-F468 HydrophobicContact CE2-CD1 4.19Å; F206-F468 HydrophobicContact CE2-CE1 4.09Å; F206-F468 HydrophobicContact CG-CD1 4.42Å; F206-F468 AromaticContact CG-CE1 3.78Å; F206-F468 HydrophobicContact CG-CE1 3.78Å; F206-F468 HydrophobicContact CG-CZ 4.25Å; Y307-F468 HydrophobicContact CD1-CB 4.48Å; Y307-F468 HydrophobicContact CE1-CB 4.3Å; Y307-F468 HydrophobicContact CE2-CB 4.47Å; I466-F468 PolarHBondContact O-N 3.22Å; F468-F470 WeakPolarHBondContact O-CD2 3.36Å; F468-F470 PolarHBondContact O-N 3.07Å | ||
| 469 | V | 87.7 | Confident | 88.2 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.036 | 19% | 0.191 | C | C | . | . | trans | -87.1 | 44.3 | -167.7 | -163.4 | 0 | 0 | 0 | 0 | 111.7 | F206 Y467 G471 F472 T473 | F206-V469 HydrophobicContact CB-CG2 3.78Å; F206-V469 HydrophobicContact CD1-CG2 3.69Å; F206-V469 HydrophobicContact CE1-CG2 4.42Å; F206-V469 HydrophobicContact CG-CG2 3.79Å; Y467-V469 HydrophobicContact CE1-CB 4.44Å; Y467-V469 HydrophobicContact CE2-CB 4.42Å; Y467-V469 PolarHBondContact OH-O 3Å; V469-G471 VanDerWaalsContact C-N 3.31Å; V469-G471 PolarHBondContact O-N 3.42Å; V469-F472 HydrophobicContact CB-CD2 4.43Å; V469-F472 HydrophobicContact CG1-CB 3.84Å; V469-F472 HydrophobicContact CG1-CD2 3.05Å; V469-F472 HydrophobicContact CG1-CE2 3.7Å; V469-F472 HydrophobicContact CG1-CG 3.62Å; V469-F472 PolarHBondContact O-N 2.89Å; V469-T473 PolarHBondContact O-N 3.16Å; V469-T473 PolarHBondContact O-OG1 2.8Å | ||
| 470 | F | 90 | Very high | 88.4 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -32 | -172 | -66.7 | -74 | 0 | 0 | 0 | 114.3 | L298 A301 Y307 F313 Y467 F468 F472 T473 L474 | L298-F470 HydrophobicContact CD2-CD1 3.92Å; A301-F470 HydrophobicContact CB-CB 4.24Å; A301-F470 HydrophobicContact CB-CD1 3.69Å; A301-F470 HydrophobicContact CB-CD2 3.99Å; A301-F470 HydrophobicContact CB-CE1 3.98Å; A301-F470 HydrophobicContact CB-CE2 4.27Å; A301-F470 HydrophobicContact CB-CG 3.69Å; A301-F470 HydrophobicContact CB-CZ 4.26Å; Y307-F470 HydrophobicContact CD1-CD2 4.2Å; Y307-F470 AromaticContact CD1-CE2 3.68Å; Y307-F470 HydrophobicContact CD1-CE2 3.68Å; Y307-F470 HydrophobicContact CG-CE2 4.29Å; F313-F470 HydrophobicContact CD2-CE1 4.42Å; F313-F470 AromaticContact CE2-CE1 3.96Å; F313-F470 HydrophobicContact CE2-CE1 3.96Å; Y467-F470 HydrophobicContact CD1-CD1 4.02Å; Y467-F470 AromaticContact CD1-CE1 3.81Å; Y467-F470 HydrophobicContact CD1-CE1 3.81Å; Y467-F470 HydrophobicContact CD1-CG 4.49Å; Y467-F470 HydrophobicContact CD1-CZ 4.08Å; Y467-F470 HydrophobicContact CE1-CD1 4.09Å; Y467-F470 HydrophobicContact CE1-CE1 4.33Å; Y467-F470 HydrophobicContact CE1-CG 4.48Å; Y467-F470 WeakPolarHBondContact O-CE2 3.48Å; Y467-F470 WeakPolarHBondContact O-CZ 3.41Å; F468-F470 WeakPolarHBondContact O-CD2 3.36Å; F468-F470 PolarHBondContact O-N 3.07Å; F470-F472 VanDerWaalsContact C-N 3.3Å; F470-F472 PolarHBondContact O-N 3.22Å; F470-T473 PolarHBondContact O-N 3.47Å; F470-T473 PolarHBondContact O-OG1 3Å; F470-L474 WeakPolarHBondContact O-CB 3.47Å; F470-L474 PolarHBondContact O-N 3.36Å |
| 471 | G | 89.2 | Confident | 88.7 | Confident | 28 Ų | 28 | 39.8 Ų | 39.8 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V469 L474 L475 | V469-G471 VanDerWaalsContact C-N 3.31Å; V469-G471 PolarHBondContact O-N 3.42Å; G471-L474 PolarHBondContact O-N 2.84Å; G471-L475 PolarHBondContact O-N 2.9Å; G471-L475 VanDerWaalsContact O-N 3.15Å |
| 472 | F | 89.3 | Confident | 89 | Confident | 36 Ų | 36 | 34.9 Ų | 34.9 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.9 | -39.9 | 177.3 | -65.5 | -104.4 | 0 | 0 | 0 | 111 | H208 H211 W212 I215 V469 F470 L474 L475 V476 | H208-F472 AromaticContact ND1-CE2 3.97Å; H208-F472 AromaticContact ND1-CZ 3.89Å; H211-F472 HydrophobicContact CB-CD1 3.45Å; H211-F472 VanDerWaalsContact CB-CD1 3.45Å; H211-F472 HydrophobicContact CB-CE1 3.65Å; H211-F472 HydrophobicContact CB-CG 4.09Å; H211-F472 HydrophobicContact CB-CZ 4.37Å; W212-F472 HydrophobicContact CD2-CE1 4.37Å; W212-F472 HydrophobicContact CG-CE1 4.34Å; W212-F472 AromaticContact NE1-CE1 3.95Å; W212-F472 AromaticContact NE1-CZ 3.95Å; I215-F472 HydrophobicContact CD1-CB 4.38Å; I215-F472 HydrophobicContact CD1-CD1 3.29Å; I215-F472 HydrophobicContact CD1-CE1 3.91Å; I215-F472 HydrophobicContact CD1-CG 4.2Å; I215-F472 HydrophobicContact CG1-CD1 4.32Å; V469-F472 HydrophobicContact CB-CD2 4.43Å; V469-F472 HydrophobicContact CG1-CB 3.84Å; V469-F472 HydrophobicContact CG1-CD2 3.05Å; V469-F472 HydrophobicContact CG1-CE2 3.7Å; V469-F472 HydrophobicContact CG1-CG 3.62Å; V469-F472 PolarHBondContact O-N 2.89Å; F470-F472 VanDerWaalsContact C-N 3.3Å; F470-F472 PolarHBondContact O-N 3.22Å; F472-L474 VanDerWaalsContact C-N 3.31Å; F472-L474 PolarHBondContact O-N 3.41Å; F472-L475 PolarHBondContact O-N 3.41Å; F472-V476 WeakPolarHBondContact O-CB 3.41Å; F472-V476 WeakPolarHBondContact O-CG2 3.27Å; F472-V476 PolarHBondContact O-N 3.15Å |
| 473 | T | 90.6 | Very high | 89.3 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 17% | 0.166 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 174.4 | -22.2 | 0 | 0 | 0 | 0 | 111.7 | L298 Y467 V469 F470 L475 V476 L477 | L298-T473 HydrophobicContact CD1-CG2 4.4Å; L298-T473 HydrophobicContact CD2-CG2 4.3Å; Y467-T473 WeakPolarHBondContact CE1-OG1 3.25Å; Y467-T473 VanDerWaalsContact CZ-OG1 3.23Å; Y467-T473 PolarHBondContact OH-OG1 3.39Å; V469-T473 PolarHBondContact O-N 3.16Å; V469-T473 PolarHBondContact O-OG1 2.8Å; F470-T473 PolarHBondContact O-N 3.47Å; F470-T473 PolarHBondContact O-OG1 3Å; T473-L475 VanDerWaalsContact C-N 3.34Å; T473-V476 PolarHBondContact O-N 3.45Å; T473-L477 WeakPolarHBondContact O-CB 3.29Å; T473-L477 PolarHBondContact O-N 2.93Å |
| 474 | L | 93 | Very high | 90.1 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 179.2 | -179.1 | 65.2 | 0 | 0 | 0 | 111 | L298 F470 G471 F472 L477 F478 | L298-L474 HydrophobicContact CB-CB 4.23Å; L298-L474 HydrophobicContact CB-CD1 3.92Å; L298-L474 HydrophobicContact CD1-CD1 4.39Å; F470-L474 WeakPolarHBondContact O-CB 3.47Å; F470-L474 PolarHBondContact O-N 3.36Å; G471-L474 PolarHBondContact O-N 2.84Å; F472-L474 VanDerWaalsContact C-N 3.31Å; F472-L474 PolarHBondContact O-N 3.41Å; L474-L477 WeakPolarHBondContact O-CB 3.09Å; L474-L477 PolarHBondContact O-N 3.44Å; L474-F478 HydrophobicContact CD1-CE2 3.81Å; L474-F478 HydrophobicContact CD1-CZ 4.22Å; L474-F478 HydrophobicContact CD2-CE2 4.46Å; L474-F478 HydrophobicContact CG-CD2 4.35Å; L474-F478 HydrophobicContact CG-CE2 3.82Å; L474-F478 WeakPolarHBondContact O-CD2 3.24Å; L474-F478 PolarHBondContact O-N 3.25Å |
| 475 | L | 92.5 | Very high | 91.3 | Very high | 72 Ų | 72 | 30 Ų | 30 | 38% | 0.377 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.1 | -171.2 | 150.8 | 0 | 0 | 0 | 111.3 | I215 G471 F472 T473 L477 F478 L479 | I215-L475 HydrophobicContact CB-CD2 4.35Å; I215-L475 HydrophobicContact CD1-CD1 4.33Å; I215-L475 HydrophobicContact CD1-CD2 3.85Å; I215-L475 HydrophobicContact CG1-CD2 3.87Å; I215-L475 HydrophobicContact CG2-CD2 3.62Å; G471-L475 PolarHBondContact O-N 2.9Å; G471-L475 VanDerWaalsContact O-N 3.15Å; F472-L475 PolarHBondContact O-N 3.41Å; T473-L475 VanDerWaalsContact C-N 3.34Å; L475-L477 VanDerWaalsContact C-N 3.28Å; L475-L477 PolarHBondContact O-N 2.9Å; L475-F478 PolarHBondContact O-N 2.67Å; L475-F478 VanDerWaalsContact O-N 3.11Å; L475-L479 HydrophobicContact CD2-CD1 3.49Å; L475-L479 VanDerWaalsContact CD2-CD1 3.49Å; L475-L479 HydrophobicContact CD2-CG 3.88Å; L475-L479 PolarHBondContact O-N 3.23Å |
| 476 | V | 92.7 | Very high | 91.8 | Very high | 7 Ų | 7 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -32.8 | 178.4 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | I215 I450 E453 F472 T473 L479 L480 | I215-V476 HydrophobicContact CG1-CG2 4.11Å; I450-V476 HydrophobicContact CG2-CG1 3.96Å; E453-V476 HydrophobicContact CB-CG1 4.27Å; E453-V476 HydrophobicContact CG-CB 4.15Å; E453-V476 HydrophobicContact CG-CG1 3.96Å; E453-V476 HydrophobicContact CG-CG2 3.6Å; F472-V476 WeakPolarHBondContact O-CB 3.41Å; F472-V476 WeakPolarHBondContact O-CG2 3.27Å; F472-V476 PolarHBondContact O-N 3.15Å; T473-V476 PolarHBondContact O-N 3.45Å; V476-L479 PolarHBondContact O-N 2.92Å; V476-L480 VanDerWaalsContact O-CB 3.32Å; V476-L480 WeakPolarHBondContact O-CB 3.29Å; V476-L480 PolarHBondContact O-N 2.89Å |
| 477 | L | 94.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 26.7 Ų | 26.7 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 171.3 | 177.3 | 65.1 | 0 | 0 | 0 | 111.6 | S294 L298 T473 L474 L475 L480 I481 L555 | S294-L477 WeakPolarHBondContact OG-CD2 3.37Å; L298-L477 HydrophobicContact CD1-CD2 3.92Å; T473-L477 WeakPolarHBondContact O-CB 3.29Å; T473-L477 PolarHBondContact O-N 2.93Å; L474-L477 WeakPolarHBondContact O-CB 3.09Å; L474-L477 PolarHBondContact O-N 3.44Å; L475-L477 VanDerWaalsContact C-N 3.28Å; L475-L477 PolarHBondContact O-N 2.9Å; L477-L480 PolarHBondContact O-N 3.36Å; L477-I481 HydrophobicContact CG-CD1 4.39Å; L477-I481 WeakPolarHBondContact O-CG1 3.42Å; L477-I481 PolarHBondContact O-N 3.01Å; L477-L555 HydrophobicContact CD1-CD1 3.9Å; L477-L555 HydrophobicContact CD1-CD2 4.49Å |
| 478 | F | 94.6 | Very high | 92.6 | Very high | 112 Ų | 112 | 25.6 Ų | 25.6 | 49% | 0.491 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -67.8 | -38.3 | 175.8 | -69.6 | -56.8 | 0 | 0 | 0 | 112.7 | L474 L475 I481 A482 | L474-F478 HydrophobicContact CD1-CE2 3.81Å; L474-F478 HydrophobicContact CD1-CZ 4.22Å; L474-F478 HydrophobicContact CD2-CE2 4.46Å; L474-F478 HydrophobicContact CG-CD2 4.35Å; L474-F478 HydrophobicContact CG-CE2 3.82Å; L474-F478 WeakPolarHBondContact O-CD2 3.24Å; L474-F478 PolarHBondContact O-N 3.25Å; L475-F478 PolarHBondContact O-N 2.67Å; L475-F478 VanDerWaalsContact O-N 3.11Å; F478-I481 PolarHBondContact O-N 3.41Å; F478-A482 PolarHBondContact O-N 3.04Å |
| 479 | L | 93.1 | Very high | 92.8 | Very high | 21 Ų | 21 | 25.1 Ų | 25.1 | 11% | 0.11 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 173.4 | -66.7 | 179.7 | 0 | 0 | 0 | 111.4 | I215 F219 V222 L475 V476 I481 A482 V483 | I215-L479 HydrophobicContact CG2-CD1 4.36Å; F219-L479 HydrophobicContact CD2-CD2 4.34Å; V222-L479 HydrophobicContact CG2-CB 4.46Å; V222-L479 HydrophobicContact CG2-CD2 4.09Å; L475-L479 HydrophobicContact CD2-CD1 3.49Å; L475-L479 VanDerWaalsContact CD2-CD1 3.49Å; L475-L479 HydrophobicContact CD2-CG 3.88Å; L475-L479 PolarHBondContact O-N 3.23Å; V476-L479 PolarHBondContact O-N 2.92Å; L479-I481 VanDerWaalsContact C-N 3.34Å; L479-I481 PolarHBondContact O-N 3.45Å; L479-A482 WeakPolarHBondContact O-CB 3.48Å; L479-A482 PolarHBondContact O-N 3.02Å; L479-A482 VanDerWaalsContact O-N 3.14Å; L479-V483 WeakPolarHBondContact O-CG2 3.29Å; L479-V483 PolarHBondContact O-N 3.08Å |
| 480 | L | 94.5 | Very high | 93 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.7 | -48.4 | 175 | 172.7 | 62.4 | 0 | 0 | 0 | 110.6 | P446 I450 V476 L477 A482 V483 T484 I514 | P446-L480 HydrophobicContact CB-CD1 3.98Å; I450-L480 HydrophobicContact CG2-CB 3.91Å; I450-L480 HydrophobicContact CG2-CD1 3.84Å; I450-L480 HydrophobicContact CG2-CD2 4.12Å; I450-L480 HydrophobicContact CG2-CG 4.16Å; V476-L480 VanDerWaalsContact O-CB 3.32Å; V476-L480 WeakPolarHBondContact O-CB 3.29Å; V476-L480 PolarHBondContact O-N 2.89Å; L477-L480 PolarHBondContact O-N 3.36Å; L480-A482 VanDerWaalsContact C-N 3.31Å; L480-A482 PolarHBondContact O-N 3.4Å; L480-V483 PolarHBondContact O-N 3.03Å; L480-T484 VanDerWaalsContact O-CB 3.29Å; L480-T484 WeakPolarHBondContact O-CB 3.48Å; L480-T484 PolarHBondContact O-N 3.47Å; L480-T484 PolarHBondContact O-OG1 3.18Å; L480-I514 HydrophobicContact CD1-CD1 3.55Å |
| 481 | I | 95.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 25.4 Ų | 25.4 | 21% | 0.205 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -54.2 | -49.6 | 174.3 | -76.3 | 167.4 | 0 | 0 | 0 | 110.2 | L477 F478 L479 T484 T485 L555 V559 | L477-I481 HydrophobicContact CG-CD1 4.39Å; L477-I481 WeakPolarHBondContact O-CG1 3.42Å; L477-I481 PolarHBondContact O-N 3.01Å; F478-I481 PolarHBondContact O-N 3.41Å; L479-I481 VanDerWaalsContact C-N 3.34Å; L479-I481 PolarHBondContact O-N 3.45Å; I481-T484 PolarHBondContact O-N 3.49Å; I481-T485 VanDerWaalsContact O-CG2 3.28Å; I481-T485 WeakPolarHBondContact O-CG2 3.43Å; I481-T485 PolarHBondContact O-N 2.72Å; I481-T485 PolarHBondContact O-OG1 3.38Å; I481-L555 HydrophobicContact CG1-CD2 4.22Å; I481-V559 HydrophobicContact CB-CG1 4.38Å; I481-V559 HydrophobicContact CG1-CG1 4.4Å; I481-V559 HydrophobicContact CG1-CG2 4.38Å; I481-V559 HydrophobicContact CG2-CG1 3.83Å |
| 482 | A | 94.1 | Very high | 93.3 | Very high | 28 Ų | 28 | 24.2 Ų | 24.2 | 23% | 0.231 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.1 | -52.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V222 F478 L479 L480 T484 T485 S486 | V222-A482 HydrophobicContact CG1-CB 4.01Å; V222-A482 HydrophobicContact CG2-CB 4.14Å; F478-A482 PolarHBondContact O-N 3.04Å; L479-A482 WeakPolarHBondContact O-CB 3.48Å; L479-A482 PolarHBondContact O-N 3.02Å; L479-A482 VanDerWaalsContact O-N 3.14Å; L480-A482 VanDerWaalsContact C-N 3.31Å; L480-A482 PolarHBondContact O-N 3.4Å; A482-T484 PolarHBondContact O-N 2.94Å; A482-T485 PolarHBondContact O-N 2.94Å; A482-T485 PolarHBondContact O-OG1 3.35Å; A482-S486 PolarHBondContact O-N 3.21Å; A482-S486 PolarHBondContact O-OG 2.99Å |
| 483 | V | 94 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.7 | -49.9 | 178.2 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | V222 L225 P446 L479 L480 T485 S486 V487 | V222-V483 HydrophobicContact CB-CG2 4.43Å; V222-V483 HydrophobicContact CG2-CB 4.47Å; V222-V483 HydrophobicContact CG2-CG2 3.27Å; L225-V483 HydrophobicContact CD1-CG1 3.72Å; P446-V483 HydrophobicContact CB-CG1 4.27Å; P446-V483 HydrophobicContact CG-CG1 3.98Å; L479-V483 WeakPolarHBondContact O-CG2 3.29Å; L479-V483 PolarHBondContact O-N 3.08Å; L480-V483 PolarHBondContact O-N 3.03Å; V483-T485 VanDerWaalsContact C-N 3.34Å; V483-T485 PolarHBondContact O-N 2.83Å; V483-S486 PolarHBondContact O-N 3.4Å; V483-V487 HydrophobicContact CG1-CG2 4.15Å; V483-V487 WeakPolarHBondContact O-CG2 3.34Å; V483-V487 PolarHBondContact O-N 3.19Å |
| 484 | T | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | -179.7 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | L480 I481 A482 S486 T488 C556 | L480-T484 VanDerWaalsContact O-CB 3.29Å; L480-T484 WeakPolarHBondContact O-CB 3.48Å; L480-T484 PolarHBondContact O-N 3.47Å; L480-T484 PolarHBondContact O-OG1 3.18Å; I481-T484 PolarHBondContact O-N 3.49Å; A482-T484 PolarHBondContact O-N 2.94Å; T484-S486 PolarHBondContact O-N 3.2Å; T484-T488 HydrophobicContact CG2-CG2 4.16Å; T484-T488 VanDerWaalsContact O-CB 3.32Å; T484-T488 WeakPolarHBondContact O-CB 3.16Å; T484-T488 WeakPolarHBondContact O-CG2 3.22Å; T484-T488 PolarHBondContact O-N 3Å; T484-T488 PolarHBondContact O-OG1 3.22Å; T484-C556 HydrophobicContact CG2-CB 3.88Å; T484-C556 VanDerWaalsContact CG2-O 3.24Å; T484-C556 WeakPolarHBondContact CG2-O 3.17Å |
| 485 | T | 95 | Very high | 93.3 | Very high | 37 Ų | 37 | 25.3 Ų | 25.3 | 23% | 0.227 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 175.7 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | I481 A482 V483 T488 V489 V559 A563 | I481-T485 VanDerWaalsContact O-CG2 3.28Å; I481-T485 WeakPolarHBondContact O-CG2 3.43Å; I481-T485 PolarHBondContact O-N 2.72Å; I481-T485 PolarHBondContact O-OG1 3.38Å; A482-T485 PolarHBondContact O-N 2.94Å; A482-T485 PolarHBondContact O-OG1 3.35Å; V483-T485 VanDerWaalsContact C-N 3.34Å; V483-T485 PolarHBondContact O-N 2.83Å; T485-T488 PolarHBondContact O-OG1 3.46Å; T485-T488 VanDerWaalsContact O-OG1 3.04Å; T485-V489 WeakPolarHBondContact O-CB 3.32Å; T485-V489 VanDerWaalsContact O-CG2 3.22Å; T485-V489 WeakPolarHBondContact O-CG2 3.46Å; T485-V489 PolarHBondContact O-N 2.75Å; T485-V489 VanDerWaalsContact O-N 3.1Å; T485-V559 HydrophobicContact CG2-CG1 3.37Å; T485-A563 HydrophobicContact CG2-CB 3.63Å |
| 486 | S | 92.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 8% | 0.077 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.2 | -49.4 | -180 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | A482 V483 T484 T488 V489 V490 | A482-S486 PolarHBondContact O-N 3.21Å; A482-S486 PolarHBondContact O-OG 2.99Å; V483-S486 PolarHBondContact O-N 3.4Å; T484-S486 PolarHBondContact O-N 3.2Å; S486-T488 PolarHBondContact O-N 2.94Å; S486-V489 PolarHBondContact O-N 3.35Å; S486-V490 VanDerWaalsContact O-CG2 3.26Å; S486-V490 WeakPolarHBondContact O-CG2 3.3Å; S486-V490 PolarHBondContact O-N 2.94Å |
| 487 | V | 93.4 | Very high | 93 | Very high | 13 Ų | 13 | 24 Ų | 24 | 8% | 0.079 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | -177.2 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | L225 S442 L445 V483 V490 G491 | L225-V487 HydrophobicContact CD1-CG2 3.63Å; L225-V487 HydrophobicContact CD2-CG2 4.13Å; S442-V487 WeakPolarHBondContact O-CG1 3Å; L445-V487 HydrophobicContact CB-CG2 4.19Å; L445-V487 HydrophobicContact CD1-CG2 4.04Å; V483-V487 HydrophobicContact CG1-CG2 4.15Å; V483-V487 WeakPolarHBondContact O-CG2 3.34Å; V483-V487 PolarHBondContact O-N 3.19Å; V487-V490 PolarHBondContact O-N 3.46Å; V487-G491 PolarHBondContact O-N 2.96Å |
| 488 | T | 94.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.9 | -36 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | T484 T485 S486 T492 G560 | T484-T488 HydrophobicContact CG2-CG2 4.16Å; T484-T488 VanDerWaalsContact O-CB 3.32Å; T484-T488 WeakPolarHBondContact O-CB 3.16Å; T484-T488 WeakPolarHBondContact O-CG2 3.22Å; T484-T488 PolarHBondContact O-N 3Å; T484-T488 PolarHBondContact O-OG1 3.22Å; T485-T488 PolarHBondContact O-OG1 3.46Å; T485-T488 VanDerWaalsContact O-OG1 3.04Å; S486-T488 PolarHBondContact O-N 2.94Å; T488-T492 VanDerWaalsContact O-CB 3.27Å; T488-T492 WeakPolarHBondContact O-CB 3.43Å; T488-T492 PolarHBondContact O-N 2.91Å; T488-T492 PolarHBondContact O-OG1 2.83Å; T488-G560 VanDerWaalsContact OG1-CA 3.29Å; T488-G560 WeakPolarHBondContact OG1-CA 2.95Å |
| 489 | V | 93.4 | Very high | 92.4 | Very high | 18 Ų | 18 | 20.3 Ų | 20.3 | 11% | 0.109 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 172.2 | 167.3 | 0 | 0 | 0 | 0 | 111 | V229 T485 S486 T492 Y493 A563 F567 | V229-V489 HydrophobicContact CG1-CG1 4.4Å; T485-V489 WeakPolarHBondContact O-CB 3.32Å; T485-V489 VanDerWaalsContact O-CG2 3.22Å; T485-V489 WeakPolarHBondContact O-CG2 3.46Å; T485-V489 PolarHBondContact O-N 2.75Å; T485-V489 VanDerWaalsContact O-N 3.1Å; S486-V489 PolarHBondContact O-N 3.35Å; V489-T492 PolarHBondContact O-N 2.87Å; V489-Y493 WeakPolarHBondContact O-CB 3.42Å; V489-Y493 PolarHBondContact O-N 3.21Å; V489-A563 HydrophobicContact CG2-CB 4.08Å; V489-F567 HydrophobicContact CG1-CB 4.16Å; V489-F567 HydrophobicContact CG1-CD1 4.04Å; V489-F567 HydrophobicContact CG1-CD2 3.72Å; V489-F567 HydrophobicContact CG1-CE1 4.37Å; V489-F567 HydrophobicContact CG1-CE2 4.07Å; V489-F567 HydrophobicContact CG1-CG 3.7Å; V489-F567 HydrophobicContact CG1-CZ 4.38Å; V489-F567 HydrophobicContact CG2-CB 4.08Å; V489-F567 HydrophobicContact CG2-CG 4.48Å |
| 490 | V | 91 | Very high | 92.4 | Very high | 17 Ų | 17 | 19.3 Ų | 19.3 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.7 | -47.8 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L228 V229 I232 S486 V487 T492 Y493 F494 | L228-V490 HydrophobicContact CD2-CG1 4.09Å; L228-V490 HydrophobicContact CD2-CG2 3.83Å; V229-V490 HydrophobicContact CG2-CG2 3.52Å; I232-V490 HydrophobicContact CD1-CG1 4.26Å; I232-V490 HydrophobicContact CD1-CG2 4.14Å; S486-V490 VanDerWaalsContact O-CG2 3.26Å; S486-V490 WeakPolarHBondContact O-CG2 3.3Å; S486-V490 PolarHBondContact O-N 2.94Å; V487-V490 PolarHBondContact O-N 3.46Å; V490-T492 VanDerWaalsContact C-N 3.33Å; V490-T492 PolarHBondContact O-N 3.38Å; V490-Y493 PolarHBondContact O-N 3.49Å; V490-F494 HydrophobicContact CG1-CD2 3.7Å; V490-F494 HydrophobicContact CG1-CE2 3.39Å; V490-F494 HydrophobicContact CG1-CZ 4.45Å; V490-F494 VanDerWaalsContact O-CD2 3.3Å; V490-F494 WeakPolarHBondContact O-CD2 3.37Å; V490-F494 PolarHBondContact O-N 2.8Å |
| 491 | G | 92 | Very high | 92.3 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 12% | 0.124 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.2 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V487 Y493 F494 L495 | V487-G491 PolarHBondContact O-N 2.96Å; G491-Y493 PolarHBondContact O-N 3.31Å; G491-F494 PolarHBondContact O-N 2.63Å; G491-L495 WeakPolarHBondContact O-CB 3.45Å; G491-L495 PolarHBondContact O-N 3.35Å |
| 492 | T | 93.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.018 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 174.7 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | T488 V489 V490 L495 L496 W503 A564 F567 V568 | T488-T492 VanDerWaalsContact O-CB 3.27Å; T488-T492 WeakPolarHBondContact O-CB 3.43Å; T488-T492 PolarHBondContact O-N 2.91Å; T488-T492 PolarHBondContact O-OG1 2.83Å; V489-T492 PolarHBondContact O-N 2.87Å; V490-T492 VanDerWaalsContact C-N 3.33Å; V490-T492 PolarHBondContact O-N 3.38Å; T492-L495 PolarHBondContact O-N 3.3Å; T492-L496 HydrophobicContact CG2-CD1 4.1Å; T492-L496 HydrophobicContact CG2-CG 4.46Å; T492-L496 VanDerWaalsContact O-CG 3.31Å; T492-L496 WeakPolarHBondContact O-CG 3.44Å; T492-L496 PolarHBondContact O-N 3.42Å; T492-W503 HydrophobicContact CG2-CB 3.93Å; T492-W503 HydrophobicContact CG2-CE3 4.36Å; T492-W503 HydrophobicContact CG2-CG 4.34Å; T492-A564 HydrophobicContact CG2-CB 4.32Å; T492-A564 WeakPolarHBondContact OG1-CB 3.48Å; T492-F567 HydrophobicContact CG2-CD1 4.48Å; T492-V568 HydrophobicContact CG2-CG2 3.8Å |
| 493 | Y | 90.6 | Very high | 92.2 | Very high | 29 Ų | 29 | 23.5 Ų | 23.5 | 11% | 0.114 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.3 | -179.7 | -109.9 | 0 | 0 | 0 | 112.3 | I232 T236 W263 V489 V490 G491 L495 L496 N497 F567 | I232-Y493 HydrophobicContact CG2-CD1 3.42Å; I232-Y493 VanDerWaalsContact CG2-CD1 3.42Å; I232-Y493 HydrophobicContact CG2-CD2 4.49Å; I232-Y493 HydrophobicContact CG2-CE1 3.29Å; I232-Y493 HydrophobicContact CG2-CE2 4.39Å; I232-Y493 HydrophobicContact CG2-CG 4.03Å; T236-Y493 PolarHBondContact OG1-OH 2.78Å; W263-Y493 AromaticContact CD1-CE2 3.93Å; V489-Y493 WeakPolarHBondContact O-CB 3.42Å; V489-Y493 PolarHBondContact O-N 3.21Å; V490-Y493 PolarHBondContact O-N 3.49Å; G491-Y493 PolarHBondContact O-N 3.31Å; Y493-L495 VanDerWaalsContact C-N 3.33Å; Y493-L495 PolarHBondContact O-N 3.44Å; Y493-L496 PolarHBondContact O-N 2.65Å; Y493-N497 WeakPolarHBondContact CD1-ND2 3.43Å; Y493-N497 WeakPolarHBondContact CE1-ND2 3.34Å; Y493-N497 PolarHBondContact O-N 3.48Å; Y493-N497 PolarHBondContact O-ND2 2.82Å; Y493-F567 HydrophobicContact CD2-CE1 4.32Å; Y493-F567 AromaticContact CD2-CZ 3.77Å; Y493-F567 HydrophobicContact CD2-CZ 3.77Å; Y493-F567 HydrophobicContact CG-CZ 4.21Å |
| 494 | F | 89.6 | Confident | 92.3 | Very high | 80 Ų | 80 | 24.1 Ų | 24.1 | 35% | 0.351 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -62.7 | -39.5 | 175.3 | -77.6 | -54.7 | 0 | 0 | 0 | 112.8 | M433 V490 G491 N497 S498 | M433-F494 HydrophobicContact CE-CB 4.43Å; M433-F494 HydrophobicContact CE-CD1 3.77Å; M433-F494 HydrophobicContact CE-CE1 4.44Å; M433-F494 HydrophobicContact CE-CG 4.38Å; M433-F494 HydrophobicContact SD-CB 4.02Å; M433-F494 HydrophobicContact SD-CD1 4.41Å; M433-F494 HydrophobicContact SD-CG 4.45Å; V490-F494 HydrophobicContact CG1-CD2 3.7Å; V490-F494 HydrophobicContact CG1-CE2 3.39Å; V490-F494 HydrophobicContact CG1-CZ 4.45Å; V490-F494 VanDerWaalsContact O-CD2 3.3Å; V490-F494 WeakPolarHBondContact O-CD2 3.37Å; V490-F494 PolarHBondContact O-N 2.8Å; G491-F494 PolarHBondContact O-N 2.63Å; F494-N497 PolarHBondContact O-N 3.18Å; F494-S498 PolarHBondContact O-N 3.49Å; F494-S498 PolarHBondContact O-OG 3.09Å |
| 495 | L | 92 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 175.5 | -174.9 | 71.8 | 0 | 0 | 0 | 111.6 | P435 L438 G491 T492 Y493 N497 S498 D500 W503 T506 | P435-L495 HydrophobicContact CG-CD1 4.06Å; L438-L495 HydrophobicContact CD1-CB 4.18Å; L438-L495 HydrophobicContact CD1-CD1 4.16Å; G491-L495 WeakPolarHBondContact O-CB 3.45Å; G491-L495 PolarHBondContact O-N 3.35Å; T492-L495 PolarHBondContact O-N 3.3Å; Y493-L495 VanDerWaalsContact C-N 3.33Å; Y493-L495 PolarHBondContact O-N 3.44Å; L495-N497 PolarHBondContact O-N 3.33Å; L495-S498 CarbonylContact O-C 3.48Å; L495-S498 WeakPolarHBondContact O-CA 3.34Å; L495-S498 WeakPolarHBondContact O-CB 3.19Å; L495-S498 PolarHBondContact O-N 2.97Å; L495-D500 HydrophobicContact CD1-CB 3.71Å; L495-D500 HydrophobicContact CG-CB 3.99Å; L495-D500 PolarHBondContact O-N 2.93Å; L495-W503 HydrophobicContact CD2-CB 3.94Å; L495-T506 HydrophobicContact CD2-CG2 3.95Å |
| 496 | L | 91.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.9 | -36.6 | 179 | -69.1 | 174.7 | 0 | 0 | 0 | 112.2 | W263 V266 V270 T492 Y493 S498 E499 V568 I571 Y572 | W263-L496 WeakPolarHBondContact CA-O 3.4Å; W263-L496 HydrophobicContact CB-CB 3.7Å; W263-L496 PolarHBondContact N-O 3Å; V266-L496 HydrophobicContact CG2-CD2 4.09Å; V270-L496 HydrophobicContact CG2-CD2 3.93Å; T492-L496 HydrophobicContact CG2-CD1 4.1Å; T492-L496 HydrophobicContact CG2-CG 4.46Å; T492-L496 VanDerWaalsContact O-CG 3.31Å; T492-L496 WeakPolarHBondContact O-CG 3.44Å; T492-L496 PolarHBondContact O-N 3.42Å; Y493-L496 PolarHBondContact O-N 2.65Å; L496-S498 PolarHBondContact O-N 2.71Å; L496-E499 WeakPolarHBondContact O-CA 3.41Å; L496-E499 PolarHBondContact O-N 3.1Å; L496-V568 HydrophobicContact CD1-CG2 4.03Å; L496-I571 HydrophobicContact CD1-CD1 4Å; L496-Y572 HydrophobicContact CD1-CE2 4.32Å |
| 497 | N | 87.4 | Confident | 92.7 | Very high | 50 Ų | 50 | 25 Ų | 25 | 27% | 0.267 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -63 | -22.8 | 172.8 | -78.5 | -51.4 | 0 | 0 | 0 | 113.6 | W263 Y493 F494 L495 | W263-N497 VanDerWaalsContact CD1-OD1 3.28Å; Y493-N497 WeakPolarHBondContact CD1-ND2 3.43Å; Y493-N497 WeakPolarHBondContact CE1-ND2 3.34Å; Y493-N497 PolarHBondContact O-N 3.48Å; Y493-N497 PolarHBondContact O-ND2 2.82Å; F494-N497 PolarHBondContact O-N 3.18Å; L495-N497 PolarHBondContact O-N 3.33Å |
| 498 | S | 88.3 | Confident | 92.9 | Very high | 19 Ų | 19 | 24.7 Ų | 24.7 | 13% | 0.133 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 14.6 | 173.8 | -50.4 | 0 | 0 | 0 | 0 | 112 | M433 F494 L495 L496 D500 | M433-S498 WeakPolarHBondContact CB-OG 3.37Å; M433-S498 WeakPolarHBondContact CG-OG 3.39Å; F494-S498 PolarHBondContact O-N 3.49Å; F494-S498 PolarHBondContact O-OG 3.09Å; L495-S498 CarbonylContact O-C 3.48Å; L495-S498 WeakPolarHBondContact O-CA 3.34Å; L495-S498 WeakPolarHBondContact O-CB 3.19Å; L495-S498 PolarHBondContact O-N 2.97Å; L496-S498 PolarHBondContact O-N 2.71Å; S498-D500 PolarHBondContact O-N 3.04Å; S498-D500 VanDerWaalsContact O-N 3.11Å |
| 499 | E | 89.7 | Confident | 93 | Very high | 37 Ų | 37 | 28 Ų | 28 | 17% | 0.173 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 23.6 | 179.9 | -59 | 178.3 | -152.6 | 0 | 0 | 114.4 | Q265 V266 K424 P427 L496 | Q265-E499 VanDerWaalsContact OE1-CD 3.24Å; Q265-E499 PolarHBondContact OE1-OE1 3.46Å; Q265-E499 PolarHBondContact OE1-OE2 3.2Å; V266-E499 HydrophobicContact CG1-CB 4.1Å; V266-E499 WeakPolarHBondContact CG1-O 3.36Å; K424-E499 IonicContact NZ-OE2 3.88Å; K424-E499 PolarHBondContact NZ-OE2 3.42Å; P427-E499 HydrophobicContact CG-CB 3.79Å; P427-E499 HydrophobicContact CG-CG 4.42Å; L496-E499 WeakPolarHBondContact O-CA 3.41Å; L496-E499 PolarHBondContact O-N 3.1Å |
| 500 | D | 91.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -95.5 | 106.9 | 173 | -167.3 | -18.6 | 0 | 0 | 0 | 109.4 | I426 K429 L495 S498 R502 | I426-D500 HydrophobicContact CG2-CB 4.07Å; K429-D500 IonicContact NZ-OD2 2.76Å; K429-D500 PolarHBondContact NZ-OD2 2.81Å; L495-D500 HydrophobicContact CD1-CB 3.71Å; L495-D500 HydrophobicContact CG-CB 3.99Å; L495-D500 PolarHBondContact O-N 2.93Å; S498-D500 PolarHBondContact O-N 3.04Å; S498-D500 VanDerWaalsContact O-N 3.11Å; D500-R502 PolarHBondContact O-N 2.72Å; D500-R502 VanDerWaalsContact OD1-CB 3.32Å; D500-R502 WeakPolarHBondContact OD1-CB 3.25Å; D500-R502 WeakPolarHBondContact OD1-CG 2.98Å; D500-R502 IonicContact OD1-CZ 3.65Å; D500-R502 PolarHBondContact OD1-N 3.41Å; D500-R502 VanDerWaalsContact OD1-N 3.09Å; D500-R502 IonicContact OD1-NE 3.33Å; D500-R502 PolarHBondContact OD1-NE 3.1Å; D500-R502 IonicContact OD1-NH2 2.73Å; D500-R502 IonicContact OD2-CZ 2.67Å; D500-R502 IonicContact OD2-NE 3.5Å; D500-R502 IonicContact OD2-NH2 3.88Å; D500-R502 PolarHBondContact OD2-NH2 2.89Å | ||
| 501 | Y | 92.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 15% | 0.145 | 13% | 0.125 | C | C | . | . | trans | -74.9 | -5.8 | -179.1 | 61.3 | -95.6 | 0 | 0 | 0 | 113.8 | D269 I426 W503 | D269-Y501 HydrophobicContact CB-CD1 3.86Å; D269-Y501 HydrophobicContact CB-CD2 4.06Å; D269-Y501 HydrophobicContact CB-CE1 4.4Å; D269-Y501 HydrophobicContact CB-CG 3.67Å; I426-Y501 HydrophobicContact CD1-CE1 4.12Å; I426-Y501 HydrophobicContact CG1-CD1 4.35Å; I426-Y501 HydrophobicContact CG1-CE1 3.91Å; Y501-W503 PolarHBondContact O-N 3.24Å | ||
| 502 | R | 93.3 | Very high | 93.6 | Very high | 124 Ų | 124 | 27 Ų | 27 | 47% | 0.468 | 13% | 0.126 | S | C | . | . | trans | -83.7 | 53.6 | -175 | -57.8 | 173.9 | -62.5 | 175.2 | 1.8 | 112.5 | D500 T506 | D500-R502 PolarHBondContact O-N 2.72Å; D500-R502 VanDerWaalsContact OD1-CB 3.32Å; D500-R502 WeakPolarHBondContact OD1-CB 3.25Å; D500-R502 WeakPolarHBondContact OD1-CG 2.98Å; D500-R502 IonicContact OD1-CZ 3.65Å; D500-R502 PolarHBondContact OD1-N 3.41Å; D500-R502 VanDerWaalsContact OD1-N 3.09Å; D500-R502 IonicContact OD1-NE 3.33Å; D500-R502 PolarHBondContact OD1-NE 3.1Å; D500-R502 IonicContact OD1-NH2 2.73Å; D500-R502 IonicContact OD2-CZ 2.67Å; D500-R502 IonicContact OD2-NE 3.5Å; D500-R502 IonicContact OD2-NH2 3.88Å; D500-R502 PolarHBondContact OD2-NH2 2.89Å; R502-T506 PolarHBondContact O-OG1 3.36Å | ||
| 503 | W | 95.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.015 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -79.6 | -22.2 | -175.4 | 67.2 | -90.1 | 0 | 0 | 0 | 113.9 | V270 T492 L495 Y501 T506 S507 Y561 A564 N565 V568 | V270-W503 PolarHBondContact O-NE1 2.84Å; T492-W503 HydrophobicContact CG2-CB 3.93Å; T492-W503 HydrophobicContact CG2-CE3 4.36Å; T492-W503 HydrophobicContact CG2-CG 4.34Å; L495-W503 HydrophobicContact CD2-CB 3.94Å; Y501-W503 PolarHBondContact O-N 3.24Å; W503-T506 PolarHBondContact O-N 3.46Å; W503-S507 VanDerWaalsContact O-CB 3.25Å; W503-S507 WeakPolarHBondContact O-CB 2.89Å; W503-S507 PolarHBondContact O-N 3.45Å; W503-S507 PolarHBondContact O-OG 3.29Å; W503-Y561 HydrophobicContact CH2-CE2 4.25Å; W503-Y561 HydrophobicContact CZ3-CD2 4.37Å; W503-Y561 AromaticContact CZ3-CE2 3.97Å; W503-Y561 HydrophobicContact CZ3-CE2 3.97Å; W503-A564 HydrophobicContact CE3-CB 4.12Å; W503-A564 HydrophobicContact CZ3-CB 4.02Å; W503-N565 HydrophobicContact CH2-CB 3.71Å; W503-N565 HydrophobicContact CZ3-CB 4.09Å; W503-V568 HydrophobicContact CD2-CG2 3.96Å; W503-V568 HydrophobicContact CE3-CG2 4.18Å; W503-V568 HydrophobicContact CG-CG2 4.42Å; W503-V568 HydrophobicContact CZ2-CB 4.24Å; W503-V568 HydrophobicContact CZ2-CG1 4.01Å; W503-V568 HydrophobicContact CZ2-CG2 4.3Å; W503-V568 HydrophobicContact CZ3-CG2 4.47Å |
| 504 | Q | 96.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 26 Ų | 26 | 6% | 0.061 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.3 | -52.7 | -170.7 | -61.8 | 88.5 | -14.5 | 0 | 0 | 112.4 | V270 R272 P274 L280 S507 F508 Y561 | V270-Q504 PolarHBondContact O-NE2 2.69Å; V270-Q504 VanDerWaalsContact O-NE2 3.11Å; R272-Q504 PolarHBondContact O-NE2 3.33Å; P274-Q504 HydrophobicContact CB-CB 3.94Å; P274-Q504 HydrophobicContact CB-CG 4.25Å; P274-Q504 HydrophobicContact CG-CB 4.11Å; P274-Q504 HydrophobicContact CG-CG 4.2Å; L280-Q504 HydrophobicContact CD2-CB 3.93Å; Q504-S507 PolarHBondContact O-OG 3.3Å; Q504-F508 PolarHBondContact O-N 3.42Å; Q504-Y561 HydrophobicContact CB-CE2 3.87Å; Q504-Y561 HydrophobicContact CG-CE2 4.29Å; Q504-Y561 WeakPolarHBondContact O-CD2 3.27Å |
| 505 | W | 97.1 | Very high | 94.4 | Very high | 50 Ų | 50 | 24 Ų | 24 | 19% | 0.189 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.4 | -39 | 176.1 | -83.1 | 107.1 | 0 | 0 | 0 | 112.2 | P275 H276 L279 L280 L283 S507 F508 L509 | P275-W505 PolarHBondContact O-NE1 2.89Å; H276-W505 HydrophobicContact CB-CZ2 4.21Å; L279-W505 HydrophobicContact CB-CH2 4.4Å; L279-W505 HydrophobicContact CD2-CH2 3.78Å; L279-W505 HydrophobicContact CD2-CZ2 4.32Å; L279-W505 HydrophobicContact CG-CH2 3.87Å; L279-W505 HydrophobicContact CG-CZ2 4.45Å; L280-W505 HydrophobicContact CB-CH2 3.98Å; L280-W505 HydrophobicContact CB-CZ2 3.65Å; L280-W505 HydrophobicContact CD1-CD2 4.06Å; L280-W505 HydrophobicContact CD1-CE3 3.89Å; L280-W505 HydrophobicContact CD1-CH2 4.18Å; L280-W505 HydrophobicContact CD1-CZ2 4.33Å; L280-W505 HydrophobicContact CD1-CZ3 3.95Å; L283-W505 HydrophobicContact CD1-CH2 3.97Å; L283-W505 HydrophobicContact CD1-CZ3 3.98Å; W505-S507 VanDerWaalsContact C-N 3.33Å; W505-S507 PolarHBondContact O-N 3.38Å; W505-F508 HydrophobicContact CE3-CD1 4.43Å; W505-F508 HydrophobicContact CZ3-CD1 4.32Å; W505-F508 PolarHBondContact O-N 3.33Å; W505-L509 WeakPolarHBondContact O-CB 3Å; W505-L509 WeakPolarHBondContact O-CG 3.39Å; W505-L509 PolarHBondContact O-N 2.97Å |
| 506 | T | 96.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 9% | 0.092 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.5 | -42.1 | -179.8 | -49.5 | 0 | 0 | 0 | 0 | 111.3 | P435 I439 L495 R502 W503 S510 | P435-T506 HydrophobicContact CB-CG2 3.97Å; I439-T506 HydrophobicContact CD1-CG2 4.32Å; I439-T506 HydrophobicContact CG1-CG2 4.03Å; L495-T506 HydrophobicContact CD2-CG2 3.95Å; R502-T506 PolarHBondContact O-OG1 3.36Å; W503-T506 PolarHBondContact O-N 3.46Å; T506-S510 WeakPolarHBondContact O-CA 3.47Å; T506-S510 WeakPolarHBondContact O-CB 3.39Å; T506-S510 PolarHBondContact O-N 3.5Å |
| 507 | S | 97 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 176.7 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | W503 Q504 W505 G511 | W503-S507 VanDerWaalsContact O-CB 3.25Å; W503-S507 WeakPolarHBondContact O-CB 2.89Å; W503-S507 PolarHBondContact O-N 3.45Å; W503-S507 PolarHBondContact O-OG 3.29Å; Q504-S507 PolarHBondContact O-OG 3.3Å; W505-S507 VanDerWaalsContact C-N 3.33Å; W505-S507 PolarHBondContact O-N 3.38Å; S507-G511 PolarHBondContact O-N 3.48Å; S507-G511 VanDerWaalsContact O-N 3.15Å |
| 508 | F | 98.1 | Very high | 95.3 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.035 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -50.3 | 175 | 178.4 | -90.3 | 0 | 0 | 0 | 111.6 | L280 L283 V284 Q504 W505 S510 G511 A512 L554 G557 Y561 | L280-F508 HydrophobicContact CD1-CB 3.85Å; L280-F508 HydrophobicContact CD1-CD1 4.49Å; L280-F508 HydrophobicContact CD1-CD2 4.25Å; L280-F508 HydrophobicContact CD1-CG 3.94Å; L283-F508 HydrophobicContact CB-CE1 4.39Å; L283-F508 HydrophobicContact CB-CE2 3.93Å; L283-F508 HydrophobicContact CB-CZ 3.67Å; L283-F508 HydrophobicContact CD1-CE1 3.97Å; L283-F508 HydrophobicContact CD1-CZ 4.06Å; L283-F508 HydrophobicContact CG-CZ 4.38Å; V284-F508 HydrophobicContact CG2-CD2 3.83Å; V284-F508 HydrophobicContact CG2-CE2 4.16Å; Q504-F508 PolarHBondContact O-N 3.42Å; W505-F508 HydrophobicContact CE3-CD1 4.43Å; W505-F508 HydrophobicContact CZ3-CD1 4.32Å; W505-F508 PolarHBondContact O-N 3.33Å; F508-S510 VanDerWaalsContact C-N 3.32Å; F508-S510 PolarHBondContact O-N 3.05Å; F508-G511 PolarHBondContact O-N 2.88Å; F508-A512 HydrophobicContact CE1-CB 4.41Å; F508-A512 WeakPolarHBondContact O-CB 3.21Å; F508-A512 PolarHBondContact O-N 2.99Å; F508-L554 HydrophobicContact CZ-CD2 4.13Å; F508-G557 WeakPolarHBondContact CD2-O 3.05Å; F508-G557 WeakPolarHBondContact O-CA 3.48Å; F508-Y561 HydrophobicContact CB-CD2 4.43Å |
| 509 | L | 97.7 | Very high | 95.7 | Very high | 72 Ų | 72 | 32 Ų | 32 | 38% | 0.377 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67.5 | -33.9 | -179.9 | -69.4 | 174.3 | 0 | 0 | 0 | 112.1 | I439 W505 G511 A512 S513 | I439-L509 HydrophobicContact CD1-CB 3.73Å; I439-L509 HydrophobicContact CD1-CD1 3.89Å; I439-L509 HydrophobicContact CD1-CG 4.48Å; I439-L509 HydrophobicContact CG1-CB 3.87Å; I439-L509 HydrophobicContact CG2-CB 3.95Å; W505-L509 WeakPolarHBondContact O-CB 3Å; W505-L509 WeakPolarHBondContact O-CG 3.39Å; W505-L509 PolarHBondContact O-N 2.97Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 2.9Å; L509-A512 CarbonylContact O-C 3.58Å; L509-A512 PolarHBondContact O-N 3.03Å; L509-S513 WeakPolarHBondContact O-CB 3.16Å; L509-S513 PolarHBondContact O-N 2.82Å |
| 510 | S | 96 | Very high | 96 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58 | -46 | 172 | 170.5 | 0 | 0 | 0 | 0 | 111 | S442 T506 F508 S513 | S442-S510 WeakPolarHBondContact CB-OG 3.36Å; S442-S510 WeakPolarHBondContact OG-CA 3.44Å; S442-S510 VanDerWaalsContact OG-CB 3.27Å; S442-S510 WeakPolarHBondContact OG-CB 3.27Å; S442-S510 PolarHBondContact OG-O 3.46Å; S442-S510 PolarHBondContact OG-OG 3.26Å; T506-S510 WeakPolarHBondContact O-CA 3.47Å; T506-S510 WeakPolarHBondContact O-CB 3.39Å; T506-S510 PolarHBondContact O-N 3.5Å; F508-S510 VanDerWaalsContact C-N 3.32Å; F508-S510 PolarHBondContact O-N 3.05Å; S510-S513 PolarHBondContact O-OG 3.35Å |
| 511 | G | 96.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67 | -40 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S507 F508 L509 S513 C556 | S507-G511 PolarHBondContact O-N 3.48Å; S507-G511 VanDerWaalsContact O-N 3.15Å; F508-G511 PolarHBondContact O-N 2.88Å; L509-G511 VanDerWaalsContact C-N 3.33Å; L509-G511 PolarHBondContact O-N 2.9Å; G511-S513 VanDerWaalsContact C-N 3.29Å; G511-S513 PolarHBondContact O-N 3.28Å; G511-C556 WeakPolarHBondContact O-CB 3.41Å |
| 512 | A | 97.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 15% | 0.149 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.9 | -15.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F508 L509 I514 T515 G553 | F508-A512 HydrophobicContact CE1-CB 4.41Å; F508-A512 WeakPolarHBondContact O-CB 3.21Å; F508-A512 PolarHBondContact O-N 2.99Å; L509-A512 CarbonylContact O-C 3.58Å; L509-A512 PolarHBondContact O-N 3.03Å; A512-I514 PolarHBondContact O-N 3.27Å; A512-T515 VanDerWaalsContact O-CB 3.3Å; A512-T515 WeakPolarHBondContact O-CB 3.4Å; A512-T515 PolarHBondContact O-N 2.87Å; A512-T515 PolarHBondContact O-OG1 3Å; A512-G553 WeakPolarHBondContact CA-O 3.26Å; A512-G553 VanDerWaalsContact CB-O 3.31Å; A512-G553 WeakPolarHBondContact CB-O 2.99Å |
| 513 | S | 97 | Very high | 96.5 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 8% | 0.084 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -21.4 | -176.5 | 64.6 | 0 | 0 | 0 | 0 | 113.9 | I439 S442 G443 L509 S510 G511 T515 F516 Y517 | I439-S513 WeakPolarHBondContact O-CB 3.48Å; I439-S513 PolarHBondContact O-OG 3.41Å; I439-S513 VanDerWaalsContact O-OG 3.09Å; S442-S513 PolarHBondContact OG-OG 3.29Å; G443-S513 WeakPolarHBondContact CA-OG 3.27Å; G443-S513 PolarHBondContact N-OG 2.91Å; L509-S513 WeakPolarHBondContact O-CB 3.16Å; L509-S513 PolarHBondContact O-N 2.82Å; S510-S513 PolarHBondContact O-OG 3.35Å; G511-S513 VanDerWaalsContact C-N 3.29Å; G511-S513 PolarHBondContact O-N 3.28Å; S513-T515 PolarHBondContact O-N 2.82Å; S513-T515 VanDerWaalsContact O-N 3.17Å; S513-F516 WeakPolarHBondContact O-CB 3.29Å; S513-F516 PolarHBondContact O-N 3.06Å; S513-Y517 WeakPolarHBondContact O-CD2 3.49Å |
| 514 | I | 96.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52.9 | -33.1 | 171.2 | -169.5 | 172.7 | 0 | 0 | 0 | 112.9 | P446 F447 I450 L480 A512 F516 Y517 A518 I552 C556 | P446-I514 HydrophobicContact CB-CD1 3.85Å; P446-I514 HydrophobicContact CB-CG1 4.42Å; F447-I514 HydrophobicContact CB-CG1 4.18Å; I450-I514 HydrophobicContact CD1-CD1 3.54Å; I450-I514 HydrophobicContact CD1-CG1 4.33Å; I450-I514 HydrophobicContact CG1-CD1 4.15Å; L480-I514 HydrophobicContact CD1-CD1 3.55Å; A512-I514 PolarHBondContact O-N 3.27Å; I514-F516 VanDerWaalsContact C-N 3.25Å; I514-F516 PolarHBondContact O-N 3.11Å; I514-Y517 PolarHBondContact O-N 2.89Å; I514-A518 WeakPolarHBondContact O-CB 3.26Å; I514-A518 PolarHBondContact O-N 3.27Å; I514-I552 HydrophobicContact CD1-CG2 4.25Å; I514-I552 HydrophobicContact CG2-CG2 3.77Å; I514-C556 HydrophobicContact CG2-CB 3.93Å |
| 515 | T | 96.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 23% | 0.227 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56.9 | -39.5 | 177 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | A512 S513 A518 Y519 C549 G553 | A512-T515 VanDerWaalsContact O-CB 3.3Å; A512-T515 WeakPolarHBondContact O-CB 3.4Å; A512-T515 PolarHBondContact O-N 2.87Å; A512-T515 PolarHBondContact O-OG1 3Å; S513-T515 PolarHBondContact O-N 2.82Å; S513-T515 VanDerWaalsContact O-N 3.17Å; T515-A518 PolarHBondContact O-N 3.24Å; T515-Y519 VanDerWaalsContact O-CB 3.25Å; T515-Y519 WeakPolarHBondContact O-CB 3.33Å; T515-Y519 PolarHBondContact O-N 3.38Å; T515-C549 HydrophobicContact CG2-CB 3.66Å; T515-C549 WeakPolarHBondContact CG2-O 3.47Å; T515-C549 PolarHBondContact OG1-O 3.36Å; T515-G553 WeakPolarHBondContact OG1-CA 3.36Å; T515-G553 PolarHBondContact OG1-N 2.89Å |
| 516 | F | 96.2 | Very high | 96.3 | Very high | 116 Ų | 116 | 33.2 Ų | 33.2 | 51% | 0.509 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.6 | -48.1 | 179.5 | 174.7 | -103.9 | 0 | 0 | 0 | 111 | S513 I514 Y519 L520 | S513-F516 WeakPolarHBondContact O-CB 3.29Å; S513-F516 PolarHBondContact O-N 3.06Å; I514-F516 VanDerWaalsContact C-N 3.25Å; I514-F516 PolarHBondContact O-N 3.11Å; F516-Y519 PolarHBondContact O-N 3.23Å; F516-L520 HydrophobicContact CD1-CD1 4.07Å; F516-L520 HydrophobicContact CE1-CD1 3.48Å; F516-L520 VanDerWaalsContact CE1-CD1 3.48Å; F516-L520 HydrophobicContact CE1-CG 4.46Å; F516-L520 HydrophobicContact CE2-CD1 4.15Å; F516-L520 HydrophobicContact CE2-CG 4.44Å; F516-L520 HydrophobicContact CZ-CD1 3.54Å; F516-L520 HydrophobicContact CZ-CG 4.29Å; F516-L520 WeakPolarHBondContact O-CG 3.4Å; F516-L520 PolarHBondContact O-N 3Å |
| 517 | Y | 96.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 39 Ų | 39 | 15% | 0.149 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -43.5 | 178.4 | -63.9 | -78.4 | 0 | 0 | 0 | 112.5 | I440 G443 L444 F447 S513 I514 Y519 L520 Y521 | I440-Y517 WeakPolarHBondContact CG2-OH 3.39Å; I440-Y517 WeakPolarHBondContact O-CE2 3.5Å; I440-Y517 PolarHBondContact O-OH 3.05Å; G443-Y517 VanDerWaalsContact C-CE2 3.48Å; L444-Y517 HydrophobicContact CB-CE2 4.4Å; L444-Y517 HydrophobicContact CD1-CD1 4.36Å; L444-Y517 HydrophobicContact CD1-CE1 3.91Å; F447-Y517 HydrophobicContact CB-CD2 4.46Å; F447-Y517 HydrophobicContact CB-CG 4.2Å; F447-Y517 HydrophobicContact CD1-CG 4.39Å; F447-Y517 VanDerWaalsContact CG-CB 3.41Å; F447-Y517 HydrophobicContact CG-CG 4.21Å; S513-Y517 WeakPolarHBondContact O-CD2 3.49Å; I514-Y517 PolarHBondContact O-N 2.89Å; Y517-Y519 VanDerWaalsContact C-N 3.31Å; Y517-Y519 PolarHBondContact O-N 2.92Å; Y517-L520 PolarHBondContact O-N 2.99Å; Y517-Y521 WeakPolarHBondContact O-CB 3.46Å; Y517-Y521 PolarHBondContact O-N 2.86Å |
| 518 | A | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | L454 I514 T515 Y521 S522 | L454-A518 HydrophobicContact CD2-CB 4.33Å; I514-A518 WeakPolarHBondContact O-CB 3.26Å; I514-A518 PolarHBondContact O-N 3.27Å; T515-A518 PolarHBondContact O-N 3.24Å; A518-Y521 PolarHBondContact O-N 3.26Å; A518-S522 PolarHBondContact O-N 2.86Å |
| 519 | Y | 96.8 | Very high | 95.6 | Very high | 84 Ų | 84 | 50.7 Ų | 50.7 | 33% | 0.329 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.9 | -41.7 | 178.2 | -166.2 | -102.6 | 0 | 0 | 0 | 112.2 | T515 F516 Y517 Y521 S522 I523 A546 | T515-Y519 VanDerWaalsContact O-CB 3.25Å; T515-Y519 WeakPolarHBondContact O-CB 3.33Å; T515-Y519 PolarHBondContact O-N 3.38Å; F516-Y519 PolarHBondContact O-N 3.23Å; Y517-Y519 VanDerWaalsContact C-N 3.31Å; Y517-Y519 PolarHBondContact O-N 2.92Å; Y519-Y521 VanDerWaalsContact C-N 3.26Å; Y519-Y521 PolarHBondContact O-N 2.95Å; Y519-S522 WeakPolarHBondContact O-CB 3.32Å; Y519-S522 PolarHBondContact O-N 3.26Å; Y519-S522 PolarHBondContact O-OG 3Å; Y519-I523 HydrophobicContact CD1-CD1 4.12Å; Y519-I523 HydrophobicContact CE1-CD1 3.98Å; Y519-I523 HydrophobicContact CE1-CG1 4.41Å; Y519-I523 PolarHBondContact O-N 3.37Å; Y519-I523 VanDerWaalsContact O-N 3.09Å; Y519-A546 HydrophobicContact CE2-CB 4.03Å |
| 520 | L | 96.5 | Very high | 95.2 | Very high | 84 Ų | 84 | 48.3 Ų | 48.3 | 44% | 0.44 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.4 | -41.2 | 171.3 | -76 | 179.1 | 0 | 0 | 0 | 111.8 | F516 Y517 S522 I523 Y524 | F516-L520 HydrophobicContact CD1-CD1 4.07Å; F516-L520 HydrophobicContact CE1-CD1 3.48Å; F516-L520 VanDerWaalsContact CE1-CD1 3.48Å; F516-L520 HydrophobicContact CE1-CG 4.46Å; F516-L520 HydrophobicContact CE2-CD1 4.15Å; F516-L520 HydrophobicContact CE2-CG 4.44Å; F516-L520 HydrophobicContact CZ-CD1 3.54Å; F516-L520 HydrophobicContact CZ-CG 4.29Å; F516-L520 WeakPolarHBondContact O-CG 3.4Å; F516-L520 PolarHBondContact O-N 3Å; Y517-L520 PolarHBondContact O-N 2.99Å; L520-S522 VanDerWaalsContact C-N 3.32Å; L520-S522 PolarHBondContact O-N 2.9Å; L520-I523 PolarHBondContact O-N 3.38Å; L520-Y524 PolarHBondContact O-N 3.34Å; L520-Y524 VanDerWaalsContact O-N 3.07Å |
| 521 | Y | 96 | Very high | 94.7 | Very high | 18 Ų | 18 | 56.1 Ų | 56.1 | 7% | 0.071 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 174 | -177.4 | -110.2 | 0 | 0 | 0 | 112.4 | F447 F451 L454 Y455 F458 Y517 A518 Y519 I523 Y524 Y525 | F447-Y521 HydrophobicContact CE2-CG 4.47Å; F447-Y521 HydrophobicContact CZ-CD2 4.48Å; F447-Y521 HydrophobicContact CZ-CG 4.17Å; F451-Y521 HydrophobicContact CD2-CD2 4.38Å; F451-Y521 HydrophobicContact CD2-CE2 4.26Å; F451-Y521 AromaticContact CE2-CD2 3.6Å; F451-Y521 HydrophobicContact CE2-CD2 3.6Å; F451-Y521 AromaticContact CE2-CE2 3.32Å; F451-Y521 HydrophobicContact CE2-CE2 3.32Å; F451-Y521 HydrophobicContact CE2-CG 4.38Å; F451-Y521 AromaticContact CE2-CZ 3.91Å; F451-Y521 HydrophobicContact CZ-CD2 4.43Å; F451-Y521 AromaticContact CZ-CE2 3.77Å; F451-Y521 HydrophobicContact CZ-CE2 3.77Å; L454-Y521 HydrophobicContact CD2-CD1 3.64Å; L454-Y521 HydrophobicContact CD2-CE1 4.18Å; L454-Y521 HydrophobicContact CD2-CG 4.47Å; L454-Y521 HydrophobicContact CG-CD1 4.1Å; L454-Y521 HydrophobicContact CG-CE1 4.21Å; Y455-Y521 WeakPolarHBondContact CB-OH 3.29Å; Y455-Y521 VanDerWaalsContact CD2-OH 3.3Å; Y455-Y521 WeakPolarHBondContact CD2-OH 3.46Å; F458-Y521 AromaticContact CD2-CD1 3.97Å; F458-Y521 HydrophobicContact CD2-CD1 3.97Å; F458-Y521 AromaticContact CD2-CE1 3.77Å; F458-Y521 HydrophobicContact CD2-CE1 3.77Å; F458-Y521 AromaticContact CE2-CD1 3.6Å; F458-Y521 HydrophobicContact CE2-CD1 3.6Å; F458-Y521 AromaticContact CE2-CE1 3.91Å; F458-Y521 HydrophobicContact CE2-CE1 3.91Å; F458-Y521 HydrophobicContact CZ-CD1 4.46Å; Y517-Y521 WeakPolarHBondContact O-CB 3.46Å; Y517-Y521 PolarHBondContact O-N 2.86Å; A518-Y521 PolarHBondContact O-N 3.26Å; Y519-Y521 VanDerWaalsContact C-N 3.26Å; Y519-Y521 PolarHBondContact O-N 2.95Å; Y521-I523 VanDerWaalsContact C-N 3.3Å; Y521-I523 PolarHBondContact O-N 3.4Å; Y521-Y524 HydrophobicContact CD2-CD1 4.07Å; Y521-Y524 AromaticContact CE2-CD1 3.91Å; Y521-Y524 HydrophobicContact CE2-CD1 3.91Å; Y521-Y524 HydrophobicContact CE2-CE1 4.31Å; Y521-Y524 PolarHBondContact O-N 3Å; Y521-Y525 HydrophobicContact CE1-CD2 4.45Å; Y521-Y525 WeakPolarHBondContact O-CB 3.5Å; Y521-Y525 PolarHBondContact O-N 3.2Å |
| 522 | S | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -35.9 | 174.7 | 82.2 | 0 | 0 | 0 | 0 | 112.7 | A518 Y519 L520 Y525 Y526 Y541 | A518-S522 PolarHBondContact O-N 2.86Å; Y519-S522 WeakPolarHBondContact O-CB 3.32Å; Y519-S522 PolarHBondContact O-N 3.26Å; Y519-S522 PolarHBondContact O-OG 3Å; L520-S522 VanDerWaalsContact C-N 3.32Å; L520-S522 PolarHBondContact O-N 2.9Å; S522-Y525 PolarHBondContact O-N 3.5Å; S522-Y526 PolarHBondContact O-N 3.1Å; S522-Y541 WeakPolarHBondContact O-CE1 3.31Å; S522-Y541 PolarHBondContact O-OH 3.04Å |
| 523 | I | 96.1 | Very high | 94 | Very high | 57 Ų | 57 | 61.4 Ų | 61.4 | 29% | 0.292 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.3 | -47.6 | 174.2 | -64 | 166.7 | 0 | 0 | 0 | 110.1 | Y519 L520 Y521 Y525 Y526 F527 F542 | Y519-I523 HydrophobicContact CD1-CD1 4.12Å; Y519-I523 HydrophobicContact CE1-CD1 3.98Å; Y519-I523 HydrophobicContact CE1-CG1 4.41Å; Y519-I523 PolarHBondContact O-N 3.37Å; Y519-I523 VanDerWaalsContact O-N 3.09Å; L520-I523 PolarHBondContact O-N 3.38Å; Y521-I523 VanDerWaalsContact C-N 3.3Å; Y521-I523 PolarHBondContact O-N 3.4Å; I523-Y525 VanDerWaalsContact C-N 3.34Å; I523-Y525 PolarHBondContact O-N 2.98Å; I523-Y526 WeakPolarHBondContact O-CB 3.31Å; I523-Y526 PolarHBondContact O-N 3.44Å; I523-F527 HydrophobicContact CG2-CD2 3.93Å; I523-F527 HydrophobicContact CG2-CE2 3.82Å; I523-F527 VanDerWaalsContact O-CD2 3.29Å; I523-F527 WeakPolarHBondContact O-CD2 3.15Å; I523-F527 PolarHBondContact O-N 2.94Å; I523-F542 HydrophobicContact CG1-CE1 3.8Å |
| 524 | Y | 95.3 | Very high | 93.6 | Very high | 104 Ų | 104 | 62.6 Ų | 62.6 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 175.4 | 168.3 | -94.1 | 0 | 0 | 0 | 111.8 | L520 Y521 Y526 F527 F528 | L520-Y524 PolarHBondContact O-N 3.34Å; L520-Y524 VanDerWaalsContact O-N 3.07Å; Y521-Y524 HydrophobicContact CD2-CD1 4.07Å; Y521-Y524 AromaticContact CE2-CD1 3.91Å; Y521-Y524 HydrophobicContact CE2-CD1 3.91Å; Y521-Y524 HydrophobicContact CE2-CE1 4.31Å; Y521-Y524 PolarHBondContact O-N 3Å; Y524-Y526 VanDerWaalsContact C-N 3.32Å; Y524-Y526 PolarHBondContact O-N 3.38Å; Y524-F527 PolarHBondContact O-N 2.93Å; Y524-F528 HydrophobicContact CD2-CB 4.41Å; Y524-F528 AromaticContact CD2-CD2 3.28Å; Y524-F528 HydrophobicContact CD2-CD2 3.28Å; Y524-F528 AromaticContact CD2-CE2 3.79Å; Y524-F528 HydrophobicContact CD2-CE2 3.79Å; Y524-F528 HydrophobicContact CD2-CG 4.1Å; Y524-F528 HydrophobicContact CE2-CB 3.97Å; Y524-F528 AromaticContact CE2-CD2 3.42Å; Y524-F528 HydrophobicContact CE2-CD2 3.42Å; Y524-F528 VanDerWaalsContact CE2-CD2 3.42Å; Y524-F528 HydrophobicContact CE2-CE2 4.05Å; Y524-F528 AromaticContact CE2-CG 3.78Å; Y524-F528 HydrophobicContact CE2-CG 3.78Å; Y524-F528 HydrophobicContact CG-CD2 4.09Å; Y524-F528 WeakPolarHBondContact O-CB 3.45Å; Y524-F528 WeakPolarHBondContact O-CD2 3.32Å; Y524-F528 PolarHBondContact O-N 3.31Å |
| 525 | Y | 94.5 | Very high | 93.3 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -42 | -179.5 | -170.8 | -86.4 | 0 | 0 | 0 | 111.5 | Y455 F458 T459 W462 Y521 S522 I523 F527 K529 T530 Y541 | Y455-Y525 HydrophobicContact CD2-CD2 4.29Å; Y455-Y525 AromaticContact CD2-CE2 3.82Å; Y455-Y525 HydrophobicContact CD2-CE2 3.82Å; Y455-Y525 AromaticContact CE2-CE2 3.87Å; Y455-Y525 HydrophobicContact CE2-CE2 3.87Å; F458-Y525 HydrophobicContact CB-CD1 4.4Å; F458-Y525 HydrophobicContact CB-CD2 4.24Å; F458-Y525 HydrophobicContact CB-CE1 4.16Å; F458-Y525 HydrophobicContact CB-CE2 3.98Å; F458-Y525 HydrophobicContact CB-CG 4.46Å; F458-Y525 HydrophobicContact CD2-CD1 4.29Å; F458-Y525 HydrophobicContact CD2-CD2 4.14Å; F458-Y525 AromaticContact CD2-CG 3.93Å; F458-Y525 HydrophobicContact CD2-CG 3.93Å; T459-Y525 WeakPolarHBondContact CA-OH 3.5Å; T459-Y525 PolarHBondContact N-OH 3.31Å; T459-Y525 PolarHBondContact OG1-OH 3.26Å; W462-Y525 HydrophobicContact CB-CE1 4.32Å; Y521-Y525 HydrophobicContact CE1-CD2 4.45Å; Y521-Y525 WeakPolarHBondContact O-CB 3.5Å; Y521-Y525 PolarHBondContact O-N 3.2Å; S522-Y525 PolarHBondContact O-N 3.5Å; I523-Y525 VanDerWaalsContact C-N 3.34Å; I523-Y525 PolarHBondContact O-N 2.98Å; Y525-F527 PolarHBondContact O-N 3.24Å; Y525-K529 HydrophobicContact CD1-CB 4.29Å; Y525-K529 HydrophobicContact CD2-CB 3.75Å; Y525-K529 HydrophobicContact CD2-CG 3.86Å; Y525-K529 HydrophobicContact CE1-CB 4.26Å; Y525-K529 HydrophobicContact CE2-CB 3.73Å; Y525-K529 HydrophobicContact CE2-CG 4.06Å; Y525-K529 HydrophobicContact CG-CB 4.02Å; Y525-K529 HydrophobicContact CG-CG 4.43Å; Y525-K529 WeakPolarHBondContact O-CA 3.33Å; Y525-K529 WeakPolarHBondContact O-CB 3.12Å; Y525-K529 PolarHBondContact O-N 3.47Å; Y525-T530 HydrophobicContact CD1-CG2 3.69Å; Y525-T530 HydrophobicContact CE1-CG2 3.48Å; Y525-T530 VanDerWaalsContact CE1-CG2 3.48Å; Y525-T530 PolarHBondContact O-N 2.89Å; Y525-Y541 HydrophobicContact CD1-CE2 4.47Å |
| 526 | Y | 93.6 | Very high | 93.1 | Very high | 20 Ų | 20 | 65.9 Ų | 65.9 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.7 | -54.6 | 176.4 | -176 | -99.1 | 0 | 0 | 0 | 111.7 | S522 I523 Y524 T530 M532 T538 Y541 F542 | S522-Y526 PolarHBondContact O-N 3.1Å; I523-Y526 WeakPolarHBondContact O-CB 3.31Å; I523-Y526 PolarHBondContact O-N 3.44Å; Y524-Y526 VanDerWaalsContact C-N 3.32Å; Y524-Y526 PolarHBondContact O-N 3.38Å; Y526-T530 PolarHBondContact O-N 3.37Å; Y526-T530 PolarHBondContact O-OG1 3.26Å; Y526-M532 HydrophobicContact CE2-CB 3.89Å; Y526-M532 PolarHBondContact OH-O 3.4Å; Y526-T538 PolarHBondContact OH-OG1 2.89Å; Y526-Y541 AromaticContact CD2-CD1 3.56Å; Y526-Y541 HydrophobicContact CD2-CD1 3.56Å; Y526-Y541 HydrophobicContact CD2-CD2 4.21Å; Y526-Y541 AromaticContact CD2-CE1 3.83Å; Y526-Y541 HydrophobicContact CD2-CE1 3.83Å; Y526-Y541 HydrophobicContact CD2-CE2 4.42Å; Y526-Y541 AromaticContact CD2-CG 3.78Å; Y526-Y541 HydrophobicContact CD2-CG 3.78Å; Y526-Y541 HydrophobicContact CE2-CD1 4.33Å; Y526-Y541 HydrophobicContact CE2-CG 4.3Å; Y526-Y541 HydrophobicContact CG-CD1 4.19Å; Y526-Y541 HydrophobicContact CG-CE1 4.1Å; Y526-F542 HydrophobicContact CD1-CE2 4.1Å; Y526-F542 HydrophobicContact CD1-CZ 4.03Å; Y526-F542 HydrophobicContact CD2-CE2 4.28Å; Y526-F542 HydrophobicContact CD2-CZ 4.43Å; Y526-F542 HydrophobicContact CE1-CE2 4.29Å; Y526-F542 HydrophobicContact CE2-CE2 4.46Å; Y526-F542 HydrophobicContact CG-CE2 4.1Å; Y526-F542 AromaticContact CG-CZ 3.91Å; Y526-F542 HydrophobicContact CG-CZ 3.91Å |
| 527 | F | 93.7 | Very high | 92.8 | Very high | 136 Ų | 136 | 60.3 Ų | 60.3 | 60% | 0.596 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -75.4 | -34.2 | -174 | -72 | -67.3 | 0 | 0 | 0 | 114.4 | I523 Y524 Y525 | I523-F527 HydrophobicContact CG2-CD2 3.93Å; I523-F527 HydrophobicContact CG2-CE2 3.82Å; I523-F527 VanDerWaalsContact O-CD2 3.29Å; I523-F527 WeakPolarHBondContact O-CD2 3.15Å; I523-F527 PolarHBondContact O-N 2.94Å; Y524-F527 PolarHBondContact O-N 2.93Å; Y525-F527 PolarHBondContact O-N 3.24Å |
| 528 | F | 93.4 | Very high | 92.6 | Very high | 146 Ų | 146 | 60.4 Ų | 60.4 | 64% | 0.64 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -107.3 | -19.1 | -170.2 | -66.4 | -76.8 | 0 | 0 | 0 | 114.7 | Y524 | Y524-F528 HydrophobicContact CD2-CB 4.41Å; Y524-F528 AromaticContact CD2-CD2 3.28Å; Y524-F528 HydrophobicContact CD2-CD2 3.28Å; Y524-F528 AromaticContact CD2-CE2 3.79Å; Y524-F528 HydrophobicContact CD2-CE2 3.79Å; Y524-F528 HydrophobicContact CD2-CG 4.1Å; Y524-F528 HydrophobicContact CE2-CB 3.97Å; Y524-F528 AromaticContact CE2-CD2 3.42Å; Y524-F528 HydrophobicContact CE2-CD2 3.42Å; Y524-F528 VanDerWaalsContact CE2-CD2 3.42Å; Y524-F528 HydrophobicContact CE2-CE2 4.05Å; Y524-F528 AromaticContact CE2-CG 3.78Å; Y524-F528 HydrophobicContact CE2-CG 3.78Å; Y524-F528 HydrophobicContact CG-CD2 4.09Å; Y524-F528 WeakPolarHBondContact O-CB 3.45Å; Y524-F528 WeakPolarHBondContact O-CD2 3.32Å; Y524-F528 PolarHBondContact O-N 3.31Å |
| 529 | K | 89.9 | Confident | 92.5 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 47% | 0.47 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -115.4 | -20.2 | -177.6 | -61.5 | -63 | -175.4 | 179.4 | 0 | 113.5 | Y525 | Y525-K529 HydrophobicContact CD1-CB 4.29Å; Y525-K529 HydrophobicContact CD2-CB 3.75Å; Y525-K529 HydrophobicContact CD2-CG 3.86Å; Y525-K529 HydrophobicContact CE1-CB 4.26Å; Y525-K529 HydrophobicContact CE2-CB 3.73Å; Y525-K529 HydrophobicContact CE2-CG 4.06Å; Y525-K529 HydrophobicContact CG-CB 4.02Å; Y525-K529 HydrophobicContact CG-CG 4.43Å; Y525-K529 WeakPolarHBondContact O-CA 3.33Å; Y525-K529 WeakPolarHBondContact O-CB 3.12Å; Y525-K529 PolarHBondContact O-N 3.47Å |
| 530 | T | 88.7 | Confident | 92.3 | Very high | 22 Ų | 22 | 59.1 Ų | 59.1 | 14% | 0.135 | 29% | 0.285 | C | S | . | . | trans | -107.8 | 152.5 | 175.2 | 82.9 | 0 | 0 | 0 | 0 | 111.6 | Y525 Y526 M532 | Y525-T530 HydrophobicContact CD1-CG2 3.69Å; Y525-T530 HydrophobicContact CE1-CG2 3.48Å; Y525-T530 VanDerWaalsContact CE1-CG2 3.48Å; Y525-T530 PolarHBondContact O-N 2.89Å; Y526-T530 PolarHBondContact O-N 3.37Å; Y526-T530 PolarHBondContact O-OG1 3.26Å; T530-M532 HydrophobicContact CG2-CE 4.16Å; T530-M532 HydrophobicContact CG2-SD 4.15Å | ||
| 531 | K | 87.3 | Confident | 92.2 | Very high | 170 Ų | 170 | 55.1 Ų | 55.1 | 74% | 0.739 | 26% | 0.264 | S | S | * | . | trans | -105.2 | 28.4 | 169.1 | -63.6 | -175.7 | 178.8 | -178.2 | 0 | 111 | ||||
| 532 | M | 88.6 | Confident | 92.2 | Very high | 21 Ų | 21 | 56.3 Ų | 56.3 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | -72.7 | 140.7 | -176.6 | -70.6 | 174.6 | -175.4 | 0 | 0 | 110.4 | W462 Y526 T530 Q537 Y541 | W462-M532 HydrophobicContact CB-CE 3.75Å; W462-M532 HydrophobicContact CD2-CE 4.42Å; W462-M532 HydrophobicContact CE3-CE 4.07Å; W462-M532 HydrophobicContact CG-CE 4.34Å; Y526-M532 HydrophobicContact CE2-CB 3.89Å; Y526-M532 PolarHBondContact OH-O 3.4Å; T530-M532 HydrophobicContact CG2-CE 4.16Å; T530-M532 HydrophobicContact CG2-SD 4.15Å; M532-Q537 HydrophobicContact CB-CG 3.74Å; M532-Q537 HydrophobicContact CG-CG 3.82Å; M532-Q537 HydrophobicContact SD-CG 3.97Å; M532-Q537 PolarHBondContact SD-NE2 3.28Å; M532-Y541 HydrophobicContact SD-CD2 4.21Å | ||
| 533 | F | 88.9 | Confident | 92.1 | Very high | 110 Ų | 110 | 57.1 Ų | 57.1 | 48% | 0.482 | 28% | 0.278 | S | S | . | . | trans | -143.7 | 170 | 175.3 | 62.2 | -90.6 | 0 | 0 | 0 | 110.9 | H42 N43 Q537 | H42-F533 HydrophobicContact CB-CD1 4.46Å; H42-F533 HydrophobicContact CB-CE1 3.8Å; N43-F533 WeakPolarHBondContact ND2-CE2 3.4Å; N43-F533 PolarHBondContact ND2-O 2.87Å; N43-F533 PolarHBondContact OD1-N 2.83Å; N43-F533 PolarHBondContact OD1-O 3.45Å; N43-F533 VanDerWaalsContact OD1-O 3.08Å; F533-Q537 WeakPolarHBondContact O-CB 3.19Å | ||
| 534 | G | 88.9 | Confident | 92.1 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 38% | 0.381 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 89 | 152.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T538 | G534-T538 WeakPolarHBondContact O-CB 3.37Å; G534-T538 PolarHBondContact O-N 2.85Å; G534-T538 VanDerWaalsContact O-N 3.09Å; G534-T538 PolarHBondContact O-OG1 2.85Å |
| 535 | L | 90.8 | Very high | 92 | Very high | 103 Ų | 103 | 53.5 Ų | 53.5 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -48.7 | -172.9 | -178.9 | 65.7 | 0 | 0 | 0 | 111.8 | T538 T539 | L535-T538 PolarHBondContact O-N 2.8Å; L535-T539 WeakPolarHBondContact O-CB 3.5Å; L535-T539 PolarHBondContact O-N 3.48Å; L535-T539 PolarHBondContact O-OG1 3.29Å; L535-T539 VanDerWaalsContact O-OG1 3.08Å |
| 536 | F | 91.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.1 | -53.2 | -178.5 | 173.1 | -99.1 | 0 | 0 | 0 | 112.1 | Q45 E46 V369 A370 Y373 T375 R377 T538 T539 F540 | Q45-F536 HydrophobicContact CB-CE1 4.23Å; Q45-F536 WeakPolarHBondContact O-CE1 3.37Å; E46-F536 HydrophobicContact CB-CD1 3.91Å; E46-F536 HydrophobicContact CB-CE1 4.19Å; E46-F536 HydrophobicContact CG-CD1 4.1Å; V369-F536 HydrophobicContact CG1-CB 4.27Å; V369-F536 HydrophobicContact CG1-CD2 4.15Å; A370-F536 HydrophobicContact CB-CD2 4.42Å; A370-F536 HydrophobicContact CB-CE2 3.65Å; Y373-F536 HydrophobicContact CD2-CB 3.94Å; Y373-F536 HydrophobicContact CE2-CB 4.04Å; Y373-F536 HydrophobicContact CG-CB 4.25Å; T375-F536 HydrophobicContact CG2-CD1 4.38Å; T375-F536 HydrophobicContact CG2-CE1 4.21Å; T375-F536 HydrophobicContact CG2-CE2 4.33Å; T375-F536 HydrophobicContact CG2-CZ 4.18Å; R377-F536 HydrophobicContact CB-CZ 4.21Å; F536-T538 VanDerWaalsContact C-N 3.31Å; F536-T538 PolarHBondContact O-N 3.39Å; F536-T539 PolarHBondContact O-N 2.87Å; F536-F540 HydrophobicContact CZ-CD2 4.17Å; F536-F540 VanDerWaalsContact O-CB 3.3Å; F536-F540 WeakPolarHBondContact O-CB 3.2Å; F536-F540 PolarHBondContact O-N 2.82Å |
| 537 | Q | 91 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 179.9 | -175.4 | 64 | 43.5 | 0 | 0 | 111.8 | N43 M532 F533 Y541 | N43-Q537 HydrophobicContact CB-CB 4.35Å; N43-Q537 HydrophobicContact CB-CG 4.36Å; M532-Q537 HydrophobicContact CB-CG 3.74Å; M532-Q537 HydrophobicContact CG-CG 3.82Å; M532-Q537 HydrophobicContact SD-CG 3.97Å; M532-Q537 PolarHBondContact SD-NE2 3.28Å; F533-Q537 WeakPolarHBondContact O-CB 3.19Å; Q537-Y541 VanDerWaalsContact O-CB 3.27Å; Q537-Y541 WeakPolarHBondContact O-CB 3.28Å; Q537-Y541 PolarHBondContact O-N 3.09Å |
| 538 | T | 92.9 | Very high | 92.3 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.239 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -50.1 | 177.2 | -55 | 0 | 0 | 0 | 0 | 111.3 | Y526 G534 L535 F536 F540 Y541 F542 | Y526-T538 PolarHBondContact OH-OG1 2.89Å; G534-T538 WeakPolarHBondContact O-CB 3.37Å; G534-T538 PolarHBondContact O-N 2.85Å; G534-T538 VanDerWaalsContact O-N 3.09Å; G534-T538 PolarHBondContact O-OG1 2.85Å; L535-T538 PolarHBondContact O-N 2.8Å; F536-T538 VanDerWaalsContact C-N 3.31Å; F536-T538 PolarHBondContact O-N 3.39Å; T538-F540 VanDerWaalsContact C-N 3.34Å; T538-F540 PolarHBondContact O-N 3.27Å; T538-Y541 PolarHBondContact O-N 2.8Å; T538-F542 HydrophobicContact CG2-CD2 3.71Å; T538-F542 HydrophobicContact CG2-CE2 3.84Å; T538-F542 WeakPolarHBondContact O-CD2 3.47Å; T538-F542 PolarHBondContact O-N 2.92Å |
| 539 | T | 93.5 | Very high | 92.5 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 28% | 0.276 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.6 | -41.6 | 179.8 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | V366 V369 L535 F536 G543 | V366-T539 HydrophobicContact CG2-CG2 4.22Å; V369-T539 HydrophobicContact CG2-CG2 4.17Å; L535-T539 WeakPolarHBondContact O-CB 3.5Å; L535-T539 PolarHBondContact O-N 3.48Å; L535-T539 PolarHBondContact O-OG1 3.29Å; L535-T539 VanDerWaalsContact O-OG1 3.08Å; F536-T539 PolarHBondContact O-N 2.87Å; T539-G543 WeakPolarHBondContact O-CA 3.22Å; T539-G543 PolarHBondContact O-N 3.32Å |
| 540 | F | 92.8 | Very high | 92.8 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 6% | 0.057 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -51.3 | 175.1 | -168 | -80.7 | 0 | 0 | 0 | 110.6 | Q45 V366 W462 F536 T538 F542 G543 Y544 | Q45-F540 HydrophobicContact CB-CD1 4.05Å; Q45-F540 HydrophobicContact CB-CE1 4.28Å; Q45-F540 HydrophobicContact CB-CG 4.29Å; Q45-F540 HydrophobicContact CG-CD1 3.75Å; Q45-F540 HydrophobicContact CG-CE1 3.85Å; Q45-F540 HydrophobicContact CG-CG 4.46Å; V366-F540 HydrophobicContact CG1-CB 4.31Å; V366-F540 HydrophobicContact CG1-CD2 3.71Å; V366-F540 HydrophobicContact CG1-CE2 4.47Å; V366-F540 HydrophobicContact CG1-CG 4.35Å; W462-F540 AromaticContact CH2-CD1 3.89Å; W462-F540 HydrophobicContact CH2-CD1 3.89Å; W462-F540 HydrophobicContact CH2-CE1 4.03Å; W462-F540 AromaticContact CZ3-CD1 3.84Å; W462-F540 HydrophobicContact CZ3-CD1 3.84Å; W462-F540 AromaticContact CZ3-CE1 3.98Å; W462-F540 HydrophobicContact CZ3-CE1 3.98Å; F536-F540 HydrophobicContact CZ-CD2 4.17Å; F536-F540 VanDerWaalsContact O-CB 3.3Å; F536-F540 WeakPolarHBondContact O-CB 3.2Å; F536-F540 PolarHBondContact O-N 2.82Å; T538-F540 VanDerWaalsContact C-N 3.34Å; T538-F540 PolarHBondContact O-N 3.27Å; F540-F542 PolarHBondContact O-N 2.93Å; F540-G543 PolarHBondContact O-N 2.97Å; F540-Y544 AromaticContact CD1-CD2 3.8Å; F540-Y544 HydrophobicContact CD1-CD2 3.8Å; F540-Y544 HydrophobicContact CD1-CE2 4.15Å; F540-Y544 HydrophobicContact CD2-CD2 4.07Å; F540-Y544 AromaticContact CD2-CE2 3.65Å; F540-Y544 HydrophobicContact CD2-CE2 3.65Å; F540-Y544 AromaticContact CE1-CD2 3.64Å; F540-Y544 HydrophobicContact CE1-CD2 3.64Å; F540-Y544 AromaticContact CE1-CE2 3.79Å; F540-Y544 HydrophobicContact CE1-CE2 3.79Å; F540-Y544 HydrophobicContact CE1-CG 4.29Å; F540-Y544 AromaticContact CE2-CD2 3.94Å; F540-Y544 HydrophobicContact CE2-CD2 3.94Å; F540-Y544 AromaticContact CE2-CE2 3.26Å; F540-Y544 HydrophobicContact CE2-CE2 3.26Å; F540-Y544 AromaticContact CE2-CZ 3.94Å; F540-Y544 HydrophobicContact CG-CD2 4Å; F540-Y544 HydrophobicContact CG-CE2 4.07Å; F540-Y544 AromaticContact CZ-CD2 3.7Å; F540-Y544 HydrophobicContact CZ-CD2 3.7Å; F540-Y544 AromaticContact CZ-CE2 3.32Å; F540-Y544 HydrophobicContact CZ-CE2 3.32Å; F540-Y544 HydrophobicContact CZ-CG 4.5Å; F540-Y544 AromaticContact CZ-CZ 3.84Å; F540-Y544 VanDerWaalsContact O-CD2 3.29Å; F540-Y544 WeakPolarHBondContact O-CD2 3.31Å; F540-Y544 PolarHBondContact O-N 2.77Å; F540-Y544 VanDerWaalsContact O-N 3.08Å |
| 541 | Y | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.3 | -58.1 | 179.6 | 179.5 | -89.8 | 0 | 0 | 0 | 112.3 | W462 S522 Y525 Y526 M532 Q537 T538 G543 Y544 M545 | W462-Y541 AromaticContact CD1-CE2 3.62Å; W462-Y541 AromaticContact CD2-CD2 3.63Å; W462-Y541 HydrophobicContact CD2-CD2 3.63Å; W462-Y541 AromaticContact CD2-CE2 3.84Å; W462-Y541 HydrophobicContact CD2-CE2 3.84Å; W462-Y541 AromaticContact CE2-CD2 3.38Å; W462-Y541 AromaticContact CE2-CE2 3.48Å; W462-Y541 VanDerWaalsContact CE2-CE2 3.48Å; W462-Y541 AromaticContact CE3-CD2 4Å; W462-Y541 HydrophobicContact CE3-CD2 4Å; W462-Y541 HydrophobicContact CG-CD2 4.17Å; W462-Y541 AromaticContact CG-CE2 3.93Å; W462-Y541 HydrophobicContact CG-CE2 3.93Å; W462-Y541 AromaticContact CH2-CD2 3.97Å; W462-Y541 HydrophobicContact CH2-CD2 3.97Å; W462-Y541 HydrophobicContact CH2-CG 4.48Å; W462-Y541 AromaticContact CZ2-CD2 3.55Å; W462-Y541 HydrophobicContact CZ2-CD2 3.55Å; W462-Y541 HydrophobicContact CZ2-CE2 4.02Å; W462-Y541 HydrophobicContact CZ2-CG 4.24Å; W462-Y541 HydrophobicContact CZ3-CD2 4.17Å; W462-Y541 AromaticContact NE1-CD2 3.77Å; W462-Y541 AromaticContact NE1-CE2 3.33Å; W462-Y541 VanDerWaalsContact NE1-CE2 3.33Å; S522-Y541 WeakPolarHBondContact O-CE1 3.31Å; S522-Y541 PolarHBondContact O-OH 3.04Å; Y525-Y541 HydrophobicContact CD1-CE2 4.47Å; Y526-Y541 AromaticContact CD2-CD1 3.56Å; Y526-Y541 HydrophobicContact CD2-CD1 3.56Å; Y526-Y541 HydrophobicContact CD2-CD2 4.21Å; Y526-Y541 AromaticContact CD2-CE1 3.83Å; Y526-Y541 HydrophobicContact CD2-CE1 3.83Å; Y526-Y541 HydrophobicContact CD2-CE2 4.42Å; Y526-Y541 AromaticContact CD2-CG 3.78Å; Y526-Y541 HydrophobicContact CD2-CG 3.78Å; Y526-Y541 HydrophobicContact CE2-CD1 4.33Å; Y526-Y541 HydrophobicContact CE2-CG 4.3Å; Y526-Y541 HydrophobicContact CG-CD1 4.19Å; Y526-Y541 HydrophobicContact CG-CE1 4.1Å; M532-Y541 HydrophobicContact SD-CD2 4.21Å; Q537-Y541 VanDerWaalsContact O-CB 3.27Å; Q537-Y541 WeakPolarHBondContact O-CB 3.28Å; Q537-Y541 PolarHBondContact O-N 3.09Å; T538-Y541 PolarHBondContact O-N 2.8Å; Y541-G543 PolarHBondContact O-N 3.11Å; Y541-Y544 PolarHBondContact O-N 3.18Å; Y541-M545 HydrophobicContact CD1-CG 4.2Å; Y541-M545 HydrophobicContact CD2-CG 4.43Å; Y541-M545 HydrophobicContact CE1-CG 3.9Å; Y541-M545 HydrophobicContact CE2-CG 4.17Å; Y541-M545 HydrophobicContact CG-CG 4.45Å; Y541-M545 WeakPolarHBondContact O-CB 3.49Å; Y541-M545 WeakPolarHBondContact O-CG 3.41Å; Y541-M545 PolarHBondContact O-N 3.29Å |
| 542 | F | 95.3 | Very high | 93.6 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 18% | 0.184 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.2 | -34 | -175.9 | -75.2 | -66.8 | 0 | 0 | 0 | 112.9 | I523 Y526 T538 F540 M545 A546 | I523-F542 HydrophobicContact CG1-CE1 3.8Å; Y526-F542 HydrophobicContact CD1-CE2 4.1Å; Y526-F542 HydrophobicContact CD1-CZ 4.03Å; Y526-F542 HydrophobicContact CD2-CE2 4.28Å; Y526-F542 HydrophobicContact CD2-CZ 4.43Å; Y526-F542 HydrophobicContact CE1-CE2 4.29Å; Y526-F542 HydrophobicContact CE2-CE2 4.46Å; Y526-F542 HydrophobicContact CG-CE2 4.1Å; Y526-F542 AromaticContact CG-CZ 3.91Å; Y526-F542 HydrophobicContact CG-CZ 3.91Å; T538-F542 HydrophobicContact CG2-CD2 3.71Å; T538-F542 HydrophobicContact CG2-CE2 3.84Å; T538-F542 WeakPolarHBondContact O-CD2 3.47Å; T538-F542 PolarHBondContact O-N 2.92Å; F540-F542 PolarHBondContact O-N 2.93Å; F542-M545 PolarHBondContact O-N 3.45Å; F542-A546 VanDerWaalsContact O-CB 3.29Å; F542-A546 WeakPolarHBondContact O-CB 3.21Å; F542-A546 PolarHBondContact O-N 3.09Å |
| 543 | G | 94.5 | Very high | 94 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 19% | 0.186 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -50.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | T539 F540 Y541 A546 L547 | T539-G543 WeakPolarHBondContact O-CA 3.22Å; T539-G543 PolarHBondContact O-N 3.32Å; F540-G543 PolarHBondContact O-N 2.97Å; Y541-G543 PolarHBondContact O-N 3.11Å; G543-A546 PolarHBondContact O-N 3.33Å; G543-L547 PolarHBondContact O-N 3.25Å |
| 544 | Y | 94.2 | Very high | 94.4 | Very high | 72 Ų | 72 | 30.8 Ų | 30.8 | 28% | 0.282 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -71.9 | -34.3 | 178.9 | -79.5 | -89.5 | 0 | 0 | 0 | 112.7 | V366 F540 Y541 L547 F548 | V366-Y544 HydrophobicContact CG1-CE2 4.22Å; F540-Y544 AromaticContact CD1-CD2 3.8Å; F540-Y544 HydrophobicContact CD1-CD2 3.8Å; F540-Y544 HydrophobicContact CD1-CE2 4.15Å; F540-Y544 HydrophobicContact CD2-CD2 4.07Å; F540-Y544 AromaticContact CD2-CE2 3.65Å; F540-Y544 HydrophobicContact CD2-CE2 3.65Å; F540-Y544 AromaticContact CE1-CD2 3.64Å; F540-Y544 HydrophobicContact CE1-CD2 3.64Å; F540-Y544 AromaticContact CE1-CE2 3.79Å; F540-Y544 HydrophobicContact CE1-CE2 3.79Å; F540-Y544 HydrophobicContact CE1-CG 4.29Å; F540-Y544 AromaticContact CE2-CD2 3.94Å; F540-Y544 HydrophobicContact CE2-CD2 3.94Å; F540-Y544 AromaticContact CE2-CE2 3.26Å; F540-Y544 HydrophobicContact CE2-CE2 3.26Å; F540-Y544 AromaticContact CE2-CZ 3.94Å; F540-Y544 HydrophobicContact CG-CD2 4Å; F540-Y544 HydrophobicContact CG-CE2 4.07Å; F540-Y544 AromaticContact CZ-CD2 3.7Å; F540-Y544 HydrophobicContact CZ-CD2 3.7Å; F540-Y544 AromaticContact CZ-CE2 3.32Å; F540-Y544 HydrophobicContact CZ-CE2 3.32Å; F540-Y544 HydrophobicContact CZ-CG 4.5Å; F540-Y544 AromaticContact CZ-CZ 3.84Å; F540-Y544 VanDerWaalsContact O-CD2 3.29Å; F540-Y544 WeakPolarHBondContact O-CD2 3.31Å; F540-Y544 PolarHBondContact O-N 2.77Å; F540-Y544 VanDerWaalsContact O-N 3.08Å; Y541-Y544 PolarHBondContact O-N 3.18Å; Y544-L547 PolarHBondContact O-N 3.38Å; Y544-F548 WeakPolarHBondContact O-CB 3.3Å; Y544-F548 PolarHBondContact O-N 3.24Å |
| 545 | M | 95 | Very high | 94.9 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 6% | 0.059 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.8 | -36.4 | 174.9 | -70.7 | -61.1 | 90.7 | 0 | 0 | 112.3 | F458 W462 Y541 F542 F548 C549 | F458-M545 HydrophobicContact CD1-SD 4.22Å; F458-M545 HydrophobicContact CE1-CE 4.45Å; F458-M545 HydrophobicContact CE1-SD 3.65Å; F458-M545 HydrophobicContact CE2-SD 4.24Å; F458-M545 HydrophobicContact CZ-SD 3.67Å; W462-M545 HydrophobicContact CZ2-CE 3.46Å; W462-M545 VanDerWaalsContact CZ2-CE 3.46Å; W462-M545 HydrophobicContact CZ2-CG 4Å; W462-M545 HydrophobicContact CZ2-SD 4.12Å; Y541-M545 HydrophobicContact CD1-CG 4.2Å; Y541-M545 HydrophobicContact CD2-CG 4.43Å; Y541-M545 HydrophobicContact CE1-CG 3.9Å; Y541-M545 HydrophobicContact CE2-CG 4.17Å; Y541-M545 HydrophobicContact CG-CG 4.45Å; Y541-M545 WeakPolarHBondContact O-CB 3.49Å; Y541-M545 WeakPolarHBondContact O-CG 3.41Å; Y541-M545 PolarHBondContact O-N 3.29Å; F542-M545 PolarHBondContact O-N 3.45Å; M545-F548 HydrophobicContact CE-CB 4.27Å; M545-F548 PolarHBondContact O-N 3.42Å; M545-C549 WeakPolarHBondContact O-CB 3.27Å; M545-C549 PolarHBondContact O-N 2.85Å; M545-C549 PolarHBondContact O-SG 3.12Å |
| 546 | A | 95.9 | Very high | 95.2 | Very high | 44 Ų | 44 | 24.6 Ų | 24.6 | 36% | 0.364 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63 | -43.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y519 F542 G543 C549 L550 | Y519-A546 HydrophobicContact CE2-CB 4.03Å; F542-A546 VanDerWaalsContact O-CB 3.29Å; F542-A546 WeakPolarHBondContact O-CB 3.21Å; F542-A546 PolarHBondContact O-N 3.09Å; G543-A546 PolarHBondContact O-N 3.33Å; A546-C549 PolarHBondContact O-N 2.73Å; A546-L550 VanDerWaalsContact O-CB 3.31Å; A546-L550 WeakPolarHBondContact O-CB 3.24Å; A546-L550 PolarHBondContact O-N 3.37Å |
| 547 | L | 96.1 | Very high | 95.5 | Very high | 23 Ų | 23 | 24.5 Ų | 24.5 | 12% | 0.12 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.2 | -70.8 | 179 | 0 | 0 | 0 | 112.5 | I359 S362 G543 Y544 C549 L550 C551 | I359-L547 HydrophobicContact CG1-CD2 4.09Å; S362-L547 WeakPolarHBondContact OG-CD1 3.28Å; S362-L547 VanDerWaalsContact OG-CD2 3.3Å; S362-L547 WeakPolarHBondContact OG-CD2 3.23Å; S362-L547 WeakPolarHBondContact OG-CG 3.28Å; G543-L547 PolarHBondContact O-N 3.25Å; Y544-L547 PolarHBondContact O-N 3.38Å; L547-C549 PolarHBondContact O-N 3.48Å; L547-L550 WeakPolarHBondContact O-CB 3.19Å; L547-L550 PolarHBondContact O-N 2.94Å; L547-C551 PolarHBondContact O-N 3.41Å; L547-C551 PolarHBondContact O-SG 2.94Å; L547-C551 VanDerWaalsContact O-SG 3.42Å |
| 548 | F | 95.4 | Very high | 95.9 | Very high | 61 Ų | 61 | 24.5 Ų | 24.5 | 27% | 0.268 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -58 | -48.6 | 176 | 173.4 | -97.3 | 0 | 0 | 0 | 111.5 | L454 F458 Y544 M545 L550 C551 I552 | L454-F548 HydrophobicContact CD1-CE1 3.52Å; L454-F548 HydrophobicContact CD1-CZ 3.72Å; F458-F548 HydrophobicContact CE1-CD1 4.14Å; F458-F548 AromaticContact CE1-CE1 3.78Å; F458-F548 HydrophobicContact CE1-CE1 3.78Å; F458-F548 HydrophobicContact CE1-CZ 4.34Å; F458-F548 HydrophobicContact CZ-CE1 4.33Å; Y544-F548 WeakPolarHBondContact O-CB 3.3Å; Y544-F548 PolarHBondContact O-N 3.24Å; M545-F548 HydrophobicContact CE-CB 4.27Å; M545-F548 PolarHBondContact O-N 3.42Å; F548-L550 VanDerWaalsContact C-N 3.32Å; F548-L550 PolarHBondContact O-N 3.06Å; F548-C551 PolarHBondContact O-N 2.93Å; F548-I552 HydrophobicContact CD1-CD1 4.11Å; F548-I552 HydrophobicContact CE1-CD1 3.36Å; F548-I552 HydrophobicContact CE1-CG1 4.44Å; F548-I552 HydrophobicContact CE2-CD1 3.87Å; F548-I552 HydrophobicContact CZ-CD1 3.25Å; F548-I552 HydrophobicContact CZ-CG1 4.32Å; F548-I552 PolarHBondContact O-N 3.13Å; F548-I552 VanDerWaalsContact O-N 3.1Å |
| 549 | C | 96.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 178 | -65.9 | 0 | 0 | 0 | 0 | 111.7 | T515 M545 A546 L547 I552 G553 | T515-C549 HydrophobicContact CG2-CB 3.66Å; T515-C549 WeakPolarHBondContact CG2-O 3.47Å; T515-C549 PolarHBondContact OG1-O 3.36Å; M545-C549 WeakPolarHBondContact O-CB 3.27Å; M545-C549 PolarHBondContact O-N 2.85Å; M545-C549 PolarHBondContact O-SG 3.12Å; A546-C549 PolarHBondContact O-N 2.73Å; L547-C549 PolarHBondContact O-N 3.48Å; C549-I552 PolarHBondContact O-N 3.15Å; C549-G553 PolarHBondContact O-N 2.72Å |
| 550 | L | 96.4 | Very high | 96.3 | Very high | 50 Ų | 50 | 21.3 Ų | 21.3 | 26% | 0.262 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 175.5 | -179.6 | 150.6 | 0 | 0 | 0 | 111.2 | L355 L358 A546 L547 F548 G553 L554 | L355-L550 HydrophobicContact CD1-CD2 3.51Å; L358-L550 HydrophobicContact CD1-CD1 3.96Å; A546-L550 VanDerWaalsContact O-CB 3.31Å; A546-L550 WeakPolarHBondContact O-CB 3.24Å; A546-L550 PolarHBondContact O-N 3.37Å; L547-L550 WeakPolarHBondContact O-CB 3.19Å; L547-L550 PolarHBondContact O-N 2.94Å; F548-L550 VanDerWaalsContact C-N 3.32Å; F548-L550 PolarHBondContact O-N 3.06Å; L550-G553 PolarHBondContact O-N 3.01Å; L550-L554 HydrophobicContact CD2-CD1 3.57Å; L550-L554 HydrophobicContact CD2-CG 4.2Å; L550-L554 HydrophobicContact CG-CD1 4.46Å; L550-L554 WeakPolarHBondContact O-CG 3.31Å; L550-L554 PolarHBondContact O-N 2.88Å |
| 551 | C | 97 | Very high | 96.6 | Very high | 34 Ų | 34 | 20.9 Ų | 20.9 | 23% | 0.23 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 179.1 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | I290 L547 F548 G553 L554 L555 | I290-C551 HydrophobicContact CD1-CB 4.27Å; I290-C551 HydrophobicContact CG2-CB 4.36Å; L547-C551 PolarHBondContact O-N 3.41Å; L547-C551 PolarHBondContact O-SG 2.94Å; L547-C551 VanDerWaalsContact O-SG 3.42Å; F548-C551 PolarHBondContact O-N 2.93Å; C551-G553 VanDerWaalsContact C-N 3.33Å; C551-G553 PolarHBondContact O-N 3.47Å; C551-L554 PolarHBondContact O-N 3Å; C551-L555 WeakPolarHBondContact O-CB 3.47Å; C551-L555 PolarHBondContact O-N 3.21Å |
| 552 | I | 96 | Very high | 96.7 | Very high | 27 Ų | 27 | 23 Ų | 23 | 14% | 0.138 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.2 | -68.9 | -176.9 | 0 | 0 | 0 | 110.9 | I514 F548 C549 L555 C556 | I514-I552 HydrophobicContact CD1-CG2 4.25Å; I514-I552 HydrophobicContact CG2-CG2 3.77Å; F548-I552 HydrophobicContact CD1-CD1 4.11Å; F548-I552 HydrophobicContact CE1-CD1 3.36Å; F548-I552 HydrophobicContact CE1-CG1 4.44Å; F548-I552 HydrophobicContact CE2-CD1 3.87Å; F548-I552 HydrophobicContact CZ-CD1 3.25Å; F548-I552 HydrophobicContact CZ-CG1 4.32Å; F548-I552 PolarHBondContact O-N 3.13Å; F548-I552 VanDerWaalsContact O-N 3.1Å; C549-I552 PolarHBondContact O-N 3.15Å; I552-L555 PolarHBondContact O-N 3.27Å; I552-C556 WeakPolarHBondContact O-CB 3.09Å; I552-C556 PolarHBondContact O-N 3.04Å; I552-C556 PolarHBondContact O-SG 2.99Å; I552-C556 VanDerWaalsContact O-SG 3.41Å |
| 553 | G | 97.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 22 Ų | 22 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A512 T515 C549 L550 C551 G557 | A512-G553 WeakPolarHBondContact CA-O 3.26Å; A512-G553 VanDerWaalsContact CB-O 3.31Å; A512-G553 WeakPolarHBondContact CB-O 2.99Å; T515-G553 WeakPolarHBondContact OG1-CA 3.36Å; T515-G553 PolarHBondContact OG1-N 2.89Å; C549-G553 PolarHBondContact O-N 2.72Å; L550-G553 PolarHBondContact O-N 3.01Å; C551-G553 VanDerWaalsContact C-N 3.33Å; C551-G553 PolarHBondContact O-N 3.47Å; G553-G557 WeakPolarHBondContact O-CA 3.45Å; G553-G557 PolarHBondContact O-N 3.49Å |
| 554 | L | 98 | Very high | 96.8 | Very high | 19 Ų | 19 | 21.1 Ų | 21.1 | 10% | 0.099 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.1 | -46.9 | 175.5 | -69.6 | 180 | 0 | 0 | 0 | 111.2 | L283 T286 G287 I290 L355 F508 L550 C551 S558 | L283-L554 HydrophobicContact CB-CD2 4.36Å; L283-L554 HydrophobicContact CD2-CD2 3.58Å; T286-L554 HydrophobicContact CG2-CD1 3.85Å; G287-L554 WeakPolarHBondContact CA-O 3.35Å; I290-L554 HydrophobicContact CD1-CB 3.85Å; I290-L554 HydrophobicContact CD1-CD1 3.83Å; I290-L554 HydrophobicContact CD1-CG 4.48Å; L355-L554 HydrophobicContact CD1-CD1 4.04Å; F508-L554 HydrophobicContact CZ-CD2 4.13Å; L550-L554 HydrophobicContact CD2-CD1 3.57Å; L550-L554 HydrophobicContact CD2-CG 4.2Å; L550-L554 HydrophobicContact CG-CD1 4.46Å; L550-L554 WeakPolarHBondContact O-CG 3.31Å; L550-L554 PolarHBondContact O-N 2.88Å; C551-L554 PolarHBondContact O-N 3Å; L554-S558 VanDerWaalsContact O-CB 3.23Å; L554-S558 WeakPolarHBondContact O-CB 3.38Å; L554-S558 PolarHBondContact O-N 3.44Å; L554-S558 PolarHBondContact O-OG 3.16Å |
| 555 | L | 97.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 18.4 Ų | 18.4 | 5% | 0.047 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.4 | -57.6 | 177.7 | -176.1 | 160.3 | 0 | 0 | 0 | 111 | I290 A291 L477 I481 C551 I552 S558 V559 | I290-L555 HydrophobicContact CG2-CB 4.31Å; I290-L555 HydrophobicContact CG2-CD1 4.25Å; A291-L555 HydrophobicContact CB-CD1 4.11Å; A291-L555 HydrophobicContact CB-CG 3.88Å; L477-L555 HydrophobicContact CD1-CD1 3.9Å; L477-L555 HydrophobicContact CD1-CD2 4.49Å; I481-L555 HydrophobicContact CG1-CD2 4.22Å; C551-L555 WeakPolarHBondContact O-CB 3.47Å; C551-L555 PolarHBondContact O-N 3.21Å; I552-L555 PolarHBondContact O-N 3.27Å; L555-S558 PolarHBondContact O-N 2.99Å; L555-V559 HydrophobicContact CD2-CG2 4.46Å; L555-V559 WeakPolarHBondContact O-CB 3.42Å; L555-V559 WeakPolarHBondContact O-CG2 3.25Å; L555-V559 PolarHBondContact O-N 3.07Å |
| 556 | C | 98 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | -176.5 | -69.4 | 0 | 0 | 0 | 0 | 112 | T484 G511 I514 I552 S558 G560 | T484-C556 HydrophobicContact CG2-CB 3.88Å; T484-C556 VanDerWaalsContact CG2-O 3.24Å; T484-C556 WeakPolarHBondContact CG2-O 3.17Å; G511-C556 WeakPolarHBondContact O-CB 3.41Å; I514-C556 HydrophobicContact CG2-CB 3.93Å; I552-C556 WeakPolarHBondContact O-CB 3.09Å; I552-C556 PolarHBondContact O-N 3.04Å; I552-C556 PolarHBondContact O-SG 2.99Å; I552-C556 VanDerWaalsContact O-SG 3.41Å; C556-S558 VanDerWaalsContact C-N 3.32Å; C556-S558 PolarHBondContact O-N 3.47Å; C556-G560 PolarHBondContact O-N 3.35Å |
| 557 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F508 G553 Y561 | F508-G557 WeakPolarHBondContact CD2-O 3.05Å; F508-G557 WeakPolarHBondContact O-CA 3.48Å; G553-G557 WeakPolarHBondContact O-CA 3.45Å; G553-G557 PolarHBondContact O-N 3.49Å; G557-Y561 VanDerWaalsContact O-CB 3.29Å; G557-Y561 WeakPolarHBondContact O-CB 3.3Å; G557-Y561 PolarHBondContact O-N 3.48Å |
| 558 | S | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.5 | -45.6 | -179.2 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | L283 V284 G287 L554 L555 C556 G560 Y561 I562 | L283-S558 PolarHBondContact O-OG 3.01Å; V284-S558 VanDerWaalsContact CA-OG 3.3Å; V284-S558 WeakPolarHBondContact CA-OG 3.41Å; V284-S558 WeakPolarHBondContact O-CB 3.23Å; V284-S558 PolarHBondContact O-OG 3.08Å; G287-S558 WeakPolarHBondContact CA-OG 3.21Å; L554-S558 VanDerWaalsContact O-CB 3.23Å; L554-S558 WeakPolarHBondContact O-CB 3.38Å; L554-S558 PolarHBondContact O-N 3.44Å; L554-S558 PolarHBondContact O-OG 3.16Å; L555-S558 PolarHBondContact O-N 2.99Å; C556-S558 VanDerWaalsContact C-N 3.32Å; C556-S558 PolarHBondContact O-N 3.47Å; S558-G560 VanDerWaalsContact C-N 3.34Å; S558-Y561 PolarHBondContact O-N 2.88Å; S558-I562 WeakPolarHBondContact O-CG1 3.34Å; S558-I562 PolarHBondContact O-N 3.08Å |
| 559 | V | 97.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 24 Ų | 24 | 10% | 0.103 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 175.9 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | I288 I481 T485 L555 I562 A563 | I288-V559 HydrophobicContact CD1-CG2 3.87Å; I481-V559 HydrophobicContact CB-CG1 4.38Å; I481-V559 HydrophobicContact CG1-CG1 4.4Å; I481-V559 HydrophobicContact CG1-CG2 4.38Å; I481-V559 HydrophobicContact CG2-CG1 3.83Å; T485-V559 HydrophobicContact CG2-CG1 3.37Å; L555-V559 HydrophobicContact CD2-CG2 4.46Å; L555-V559 WeakPolarHBondContact O-CB 3.42Å; L555-V559 WeakPolarHBondContact O-CG2 3.25Å; L555-V559 PolarHBondContact O-N 3.07Å; V559-I562 PolarHBondContact O-N 2.89Å; V559-A563 WeakPolarHBondContact O-CB 3.27Å; V559-A563 PolarHBondContact O-N 3.42Å |
| 560 | G | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | T488 C556 S558 I562 A563 A564 | T488-G560 VanDerWaalsContact OG1-CA 3.29Å; T488-G560 WeakPolarHBondContact OG1-CA 2.95Å; C556-G560 PolarHBondContact O-N 3.35Å; S558-G560 VanDerWaalsContact C-N 3.34Å; G560-I562 PolarHBondContact O-N 2.92Å; G560-A563 PolarHBondContact O-N 3.13Å; G560-A564 WeakPolarHBondContact O-CB 3.4Å; G560-A564 PolarHBondContact O-N 3.09Å |
| 561 | Y | 98.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 2% | 0.02 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60 | -45 | 176 | 177.2 | -92.4 | 0 | 0 | 0 | 112.5 | L280 V284 L335 M339 W503 Q504 F508 G557 S558 A564 N565 | L280-Y561 HydrophobicContact CD2-CE2 3.91Å; V284-Y561 HydrophobicContact CB-CD1 4.45Å; V284-Y561 HydrophobicContact CG1-CD1 3.96Å; V284-Y561 HydrophobicContact CG2-CD1 3.65Å; V284-Y561 HydrophobicContact CG2-CE1 4.31Å; V284-Y561 HydrophobicContact CG2-CG 3.83Å; L335-Y561 HydrophobicContact CD1-CE1 3.81Å; L335-Y561 HydrophobicContact CD2-CD1 4.12Å; L335-Y561 HydrophobicContact CD2-CE1 3.44Å; L335-Y561 VanDerWaalsContact CD2-CE1 3.44Å; L335-Y561 HydrophobicContact CG-CE1 4.26Å; M339-Y561 WeakPolarHBondContact CE-OH 3.44Å; W503-Y561 HydrophobicContact CH2-CE2 4.25Å; W503-Y561 HydrophobicContact CZ3-CD2 4.37Å; W503-Y561 AromaticContact CZ3-CE2 3.97Å; W503-Y561 HydrophobicContact CZ3-CE2 3.97Å; Q504-Y561 HydrophobicContact CB-CE2 3.87Å; Q504-Y561 HydrophobicContact CG-CE2 4.29Å; Q504-Y561 WeakPolarHBondContact O-CD2 3.27Å; F508-Y561 HydrophobicContact CB-CD2 4.43Å; G557-Y561 VanDerWaalsContact O-CB 3.29Å; G557-Y561 WeakPolarHBondContact O-CB 3.3Å; G557-Y561 PolarHBondContact O-N 3.48Å; S558-Y561 PolarHBondContact O-N 2.88Å; Y561-A564 PolarHBondContact O-N 2.97Å; Y561-N565 HydrophobicContact CE1-CB 4.38Å; Y561-N565 VanDerWaalsContact O-CB 3.27Å; Y561-N565 WeakPolarHBondContact O-CB 3.49Å; Y561-N565 PolarHBondContact O-N 3.45Å |
| 562 | I | 97.3 | Very high | 94.8 | Very high | 45 Ų | 45 | 27 Ų | 27 | 23% | 0.231 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | 179.7 | -70.4 | -177 | 0 | 0 | 0 | 111 | V284 I288 V331 S558 V559 G560 N565 R566 | V284-I562 HydrophobicContact CG1-CD1 4.32Å; V284-I562 HydrophobicContact CG1-CG1 4.18Å; I288-I562 HydrophobicContact CD1-CD1 3.62Å; I288-I562 HydrophobicContact CG1-CD1 3.55Å; V331-I562 HydrophobicContact CG1-CD1 4.37Å; S558-I562 WeakPolarHBondContact O-CG1 3.34Å; S558-I562 PolarHBondContact O-N 3.08Å; V559-I562 PolarHBondContact O-N 2.89Å; G560-I562 PolarHBondContact O-N 2.92Å; I562-N565 PolarHBondContact O-N 3.41Å; I562-R566 WeakPolarHBondContact O-CG 3.46Å; I562-R566 PolarHBondContact O-N 3.48Å |
| 563 | A | 95.7 | Very high | 94.2 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62 | -48.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T485 V489 V559 G560 N565 R566 F567 | T485-A563 HydrophobicContact CG2-CB 3.63Å; V489-A563 HydrophobicContact CG2-CB 4.08Å; V559-A563 WeakPolarHBondContact O-CB 3.27Å; V559-A563 PolarHBondContact O-N 3.42Å; G560-A563 PolarHBondContact O-N 3.13Å; A563-N565 PolarHBondContact O-N 3.17Å; A563-R566 PolarHBondContact O-N 2.76Å; A563-F567 WeakPolarHBondContact O-CB 3.39Å; A563-F567 PolarHBondContact O-N 3.37Å |
| 564 | A | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.8 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T492 W503 G560 Y561 R566 F567 V568 | T492-A564 HydrophobicContact CG2-CB 4.32Å; T492-A564 WeakPolarHBondContact OG1-CB 3.48Å; W503-A564 HydrophobicContact CE3-CB 4.12Å; W503-A564 HydrophobicContact CZ3-CB 4.02Å; G560-A564 WeakPolarHBondContact O-CB 3.4Å; G560-A564 PolarHBondContact O-N 3.09Å; Y561-A564 PolarHBondContact O-N 2.97Å; A564-R566 PolarHBondContact O-N 3.45Å; A564-F567 WeakPolarHBondContact O-CB 3.47Å; A564-F567 PolarHBondContact O-N 3.15Å; A564-V568 WeakPolarHBondContact O-CB 3.49Å; A564-V568 WeakPolarHBondContact O-CG2 3.36Å; A564-V568 PolarHBondContact O-N 3.25Å |
| 565 | N | 95.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 8% | 0.08 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 177.7 | -177.1 | 34.5 | 0 | 0 | 0 | 112.6 | R338 W503 Y561 I562 A563 R569 | R338-N565 PolarHBondContact NH2-ND2 3.37Å; R338-N565 VanDerWaalsContact NH2-ND2 3.16Å; W503-N565 HydrophobicContact CH2-CB 3.71Å; W503-N565 HydrophobicContact CZ3-CB 4.09Å; Y561-N565 HydrophobicContact CE1-CB 4.38Å; Y561-N565 VanDerWaalsContact O-CB 3.27Å; Y561-N565 WeakPolarHBondContact O-CB 3.49Å; Y561-N565 PolarHBondContact O-N 3.45Å; I562-N565 PolarHBondContact O-N 3.41Å; A563-N565 PolarHBondContact O-N 3.17Å; N565-R569 WeakPolarHBondContact O-CB 2.8Å; N565-R569 VanDerWaalsContact O-CG 3.27Å; N565-R569 WeakPolarHBondContact O-CG 3.44Å; N565-R569 PolarHBondContact O-N 2.71Å; N565-R569 PolarHBondContact OD1-NE 3.15Å |
| 566 | R | 92.9 | Very high | 90.4 | Very high | 186 Ų | 186 | 39.5 Ų | 39.5 | 70% | 0.702 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -66.2 | -44.1 | 174.7 | -75.8 | -174.5 | 176.4 | 162.6 | 0.6 | 111.5 | I562 A563 A564 K570 | I562-R566 WeakPolarHBondContact O-CG 3.46Å; I562-R566 PolarHBondContact O-N 3.48Å; A563-R566 PolarHBondContact O-N 2.76Å; A564-R566 PolarHBondContact O-N 3.45Å; R566-K570 WeakPolarHBondContact O-CB 3.38Å; R566-K570 PolarHBondContact O-N 3.24Å |
| 567 | F | 92.1 | Very high | 88.6 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 10% | 0.101 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -53.1 | 176 | 167.4 | -105.4 | 0 | 0 | 0 | 111.6 | L233 V489 T492 Y493 A563 A564 R569 K570 I571 | L233-F567 HydrophobicContact CD2-CD2 4.26Å; L233-F567 HydrophobicContact CD2-CE2 3.7Å; V489-F567 HydrophobicContact CG1-CB 4.16Å; V489-F567 HydrophobicContact CG1-CD1 4.04Å; V489-F567 HydrophobicContact CG1-CD2 3.72Å; V489-F567 HydrophobicContact CG1-CE1 4.37Å; V489-F567 HydrophobicContact CG1-CE2 4.07Å; V489-F567 HydrophobicContact CG1-CG 3.7Å; V489-F567 HydrophobicContact CG1-CZ 4.38Å; V489-F567 HydrophobicContact CG2-CB 4.08Å; V489-F567 HydrophobicContact CG2-CG 4.48Å; T492-F567 HydrophobicContact CG2-CD1 4.48Å; Y493-F567 HydrophobicContact CD2-CE1 4.32Å; Y493-F567 AromaticContact CD2-CZ 3.77Å; Y493-F567 HydrophobicContact CD2-CZ 3.77Å; Y493-F567 HydrophobicContact CG-CZ 4.21Å; A563-F567 WeakPolarHBondContact O-CB 3.39Å; A563-F567 PolarHBondContact O-N 3.37Å; A564-F567 WeakPolarHBondContact O-CB 3.47Å; A564-F567 PolarHBondContact O-N 3.15Å; F567-R569 PolarHBondContact O-N 3.14Å; F567-K570 WeakPolarHBondContact O-CB 3.41Å; F567-K570 PolarHBondContact O-N 3.06Å; F567-I571 HydrophobicContact CD1-CD1 4.4Å; F567-I571 HydrophobicContact CD2-CG2 3.97Å; F567-I571 HydrophobicContact CE1-CD1 3.81Å; F567-I571 HydrophobicContact CE1-CG2 4.43Å; F567-I571 HydrophobicContact CE2-CG2 3.53Å; F567-I571 HydrophobicContact CZ-CD1 4Å; F567-I571 HydrophobicContact CZ-CG2 3.79Å; F567-I571 PolarHBondContact O-N 3.01Å |
| 568 | V | 92.7 | Very high | 86 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.3 | -49.8 | 179 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | V270 F271 T492 L496 W503 A564 K570 I571 Y572 | V270-V568 HydrophobicContact CG1-CG1 3.22Å; F271-V568 HydrophobicContact CE1-CG1 3.95Å; F271-V568 HydrophobicContact CZ-CG1 4.04Å; T492-V568 HydrophobicContact CG2-CG2 3.8Å; L496-V568 HydrophobicContact CD1-CG2 4.03Å; W503-V568 HydrophobicContact CD2-CG2 3.96Å; W503-V568 HydrophobicContact CE3-CG2 4.18Å; W503-V568 HydrophobicContact CG-CG2 4.42Å; W503-V568 HydrophobicContact CZ2-CB 4.24Å; W503-V568 HydrophobicContact CZ2-CG1 4.01Å; W503-V568 HydrophobicContact CZ2-CG2 4.3Å; W503-V568 HydrophobicContact CZ3-CG2 4.47Å; A564-V568 WeakPolarHBondContact O-CB 3.49Å; A564-V568 WeakPolarHBondContact O-CG2 3.36Å; A564-V568 PolarHBondContact O-N 3.25Å; V568-K570 VanDerWaalsContact C-N 3.27Å; V568-K570 PolarHBondContact O-N 3.17Å; V568-I571 WeakPolarHBondContact O-CG1 3.39Å; V568-I571 PolarHBondContact O-N 2.82Å; V568-Y572 HydrophobicContact CG1-CD2 3.8Å; V568-Y572 HydrophobicContact CG1-CE2 3.96Å; V568-Y572 WeakPolarHBondContact O-CD2 3.49Å; V568-Y572 PolarHBondContact O-N 3.44Å; V568-Y572 VanDerWaalsContact O-N 3.1Å |
| 569 | R | 91.1 | Very high | 85.4 | Confident | 49 Ų | 49 | 56.1 Ų | 56.1 | 19% | 0.185 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -40 | 176.3 | -76 | 172.6 | 165.7 | -108.9 | -9.8 | 112.6 | F271 R338 N414 N565 F567 S573 | F271-R569 HydrophobicContact CE1-CG 3.79Å; F271-R569 HydrophobicContact CZ-CG 4.29Å; R338-R569 VanDerWaalsContact NH2-NH2 3.14Å; N414-R569 PolarHBondContact O-NH1 2.97Å; N565-R569 WeakPolarHBondContact O-CB 2.8Å; N565-R569 VanDerWaalsContact O-CG 3.27Å; N565-R569 WeakPolarHBondContact O-CG 3.44Å; N565-R569 PolarHBondContact O-N 2.71Å; N565-R569 PolarHBondContact OD1-NE 3.15Å; F567-R569 PolarHBondContact O-N 3.14Å; R569-S573 VanDerWaalsContact O-CB 3.29Å; R569-S573 WeakPolarHBondContact O-CB 3.44Å; R569-S573 PolarHBondContact O-N 2.93Å; R569-S573 PolarHBondContact O-OG 3.29Å |
| 570 | K | 88.2 | Confident | 84.7 | Confident | 136 Ų | 136 | 58.1 Ų | 58.1 | 59% | 0.591 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.3 | -46.8 | -179.6 | -173.6 | 58.8 | 176 | 174.2 | 0 | 111.8 | R566 F567 V568 Y572 S573 I574 | R566-K570 WeakPolarHBondContact O-CB 3.38Å; R566-K570 PolarHBondContact O-N 3.24Å; F567-K570 WeakPolarHBondContact O-CB 3.41Å; F567-K570 PolarHBondContact O-N 3.06Å; V568-K570 VanDerWaalsContact C-N 3.27Å; V568-K570 PolarHBondContact O-N 3.17Å; K570-Y572 PolarHBondContact O-N 3.18Å; K570-S573 PolarHBondContact O-N 3.41Å; K570-S573 PolarHBondContact O-OG 3.48Å; K570-I574 WeakPolarHBondContact O-CG1 3.33Å |
| 571 | I | 85.5 | Confident | 84 | Confident | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | -179.6 | 63.9 | 174.8 | 0 | 0 | 0 | 112 | W263 L496 F567 V568 I574 | W263-I571 HydrophobicContact CD2-CD1 4.47Å; W263-I571 HydrophobicContact CE3-CD1 3.93Å; W263-I571 HydrophobicContact CE3-CG1 4.39Å; W263-I571 HydrophobicContact CH2-CB 4.12Å; W263-I571 HydrophobicContact CZ3-CB 4.01Å; W263-I571 HydrophobicContact CZ3-CD1 4.12Å; W263-I571 HydrophobicContact CZ3-CG1 4.08Å; L496-I571 HydrophobicContact CD1-CD1 4Å; F567-I571 HydrophobicContact CD1-CD1 4.4Å; F567-I571 HydrophobicContact CD2-CG2 3.97Å; F567-I571 HydrophobicContact CE1-CD1 3.81Å; F567-I571 HydrophobicContact CE1-CG2 4.43Å; F567-I571 HydrophobicContact CE2-CG2 3.53Å; F567-I571 HydrophobicContact CZ-CD1 4Å; F567-I571 HydrophobicContact CZ-CG2 3.79Å; F567-I571 PolarHBondContact O-N 3.01Å; V568-I571 WeakPolarHBondContact O-CG1 3.39Å; V568-I571 PolarHBondContact O-N 2.82Å; I571-I574 PolarHBondContact O-N 2.96Å |
| 572 | Y | 87.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -79.7 | -21.2 | 178.7 | -73.5 | -72.7 | 0 | 0 | 0 | 113.4 | W263 V266 H267 V270 F271 L496 V568 K570 I574 V575 | W263-Y572 HydrophobicContact CE3-CD1 4.47Å; W263-Y572 AromaticContact CE3-CE1 3.81Å; W263-Y572 HydrophobicContact CE3-CE1 3.81Å; W263-Y572 HydrophobicContact CE3-CE2 4.38Å; W263-Y572 AromaticContact CE3-CZ 3.75Å; W263-Y572 HydrophobicContact CZ3-CD1 4.17Å; W263-Y572 AromaticContact CZ3-CE1 3.95Å; W263-Y572 HydrophobicContact CZ3-CE1 3.95Å; W263-Y572 PolarHBondContact O-OH 3.4Å; V266-Y572 WeakPolarHBondContact CG2-OH 3.17Å; H267-Y572 VanDerWaalsContact CA-CE1 3.45Å; H267-Y572 HydrophobicContact CB-CD1 3.72Å; H267-Y572 HydrophobicContact CB-CE1 3.65Å; V270-Y572 HydrophobicContact CB-CE2 4.02Å; V270-Y572 HydrophobicContact CG1-CD2 3.9Å; V270-Y572 HydrophobicContact CG1-CE2 3.55Å; V270-Y572 HydrophobicContact CG2-CE1 4.33Å; V270-Y572 HydrophobicContact CG2-CE2 3.71Å; V270-Y572 VanDerWaalsContact CG2-OH 3.25Å; V270-Y572 WeakPolarHBondContact CG2-OH 3.28Å; F271-Y572 HydrophobicContact CE2-CD2 4.26Å; F271-Y572 HydrophobicContact CE2-CG 4.16Å; F271-Y572 HydrophobicContact CZ-CD2 4.14Å; F271-Y572 HydrophobicContact CZ-CG 4.36Å; L496-Y572 HydrophobicContact CD1-CE2 4.32Å; V568-Y572 HydrophobicContact CG1-CD2 3.8Å; V568-Y572 HydrophobicContact CG1-CE2 3.96Å; V568-Y572 WeakPolarHBondContact O-CD2 3.49Å; V568-Y572 PolarHBondContact O-N 3.44Å; V568-Y572 VanDerWaalsContact O-N 3.1Å; K570-Y572 PolarHBondContact O-N 3.18Å; Y572-I574 PolarHBondContact O-N 3.47Å; Y572-V575 HydrophobicContact CD1-CG2 4.35Å; Y572-V575 PolarHBondContact O-N 2.96Å |
| 573 | S | 83.7 | Confident | 82.3 | Confident | 66 Ų | 66 | 65.9 Ų | 65.9 | 46% | 0.462 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -16.6 | 170.3 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | R569 K570 | R569-S573 VanDerWaalsContact O-CB 3.29Å; R569-S573 WeakPolarHBondContact O-CB 3.44Å; R569-S573 PolarHBondContact O-N 2.93Å; R569-S573 PolarHBondContact O-OG 3.29Å; K570-S573 PolarHBondContact O-N 3.41Å; K570-S573 PolarHBondContact O-OG 3.48Å |
| 574 | I | 77.6 | Confident | 81.4 | Confident | 69 Ų | 69 | 69 Ų | 69 | 35% | 0.354 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -23.1 | 179.7 | -61.9 | 164.3 | 0 | 0 | 0 | 111 | L237 K570 I571 Y572 K576 | L237-I574 HydrophobicContact CD2-CD1 4.34Å; K570-I574 WeakPolarHBondContact O-CG1 3.33Å; I571-I574 PolarHBondContact O-N 2.96Å; Y572-I574 PolarHBondContact O-N 3.47Å; I574-K576 PolarHBondContact O-N 3.39Å; I574-K576 VanDerWaalsContact O-N 3.15Å |
| 575 | V | 72.5 | Confident | 80.4 | Confident | 16 Ų | 16 | 73.9 Ų | 73.9 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | trans | -72.1 | 108.4 | 179.3 | 174.9 | 0 | 0 | 0 | 0 | 108.5 | W263 K264 Y572 V577 | W263-V575 HydrophobicContact CH2-CG2 3.62Å; W263-V575 HydrophobicContact CZ3-CG2 3.59Å; K264-V575 HydrophobicContact CG-CG2 4.37Å; Y572-V575 HydrophobicContact CD1-CG2 4.35Å; Y572-V575 PolarHBondContact O-N 2.96Å; V575-V577 VanDerWaalsContact C-N 3.34Å; V575-V577 HydrophobicContact CG1-CB 4.15Å; V575-V577 HydrophobicContact CG1-CG2 3.37Å; V575-V577 PolarHBondContact O-N 3.31Å; V575-V577 VanDerWaalsContact O-N 3.13Å | ||
| 576 | K | 63.5 | Low | 79.3 | Confident | 170 Ų | 170 | 78.5 Ų | 78.5 | 74% | 0.739 | 38% | 0.377 | S | S | * | . | trans | -78 | 85.1 | 169.1 | -65.7 | -178 | 179.7 | 179.9 | 0 | 108.6 | I574 | I574-K576 PolarHBondContact O-N 3.39Å; I574-K576 VanDerWaalsContact O-N 3.15Å | ||
| 577 | V | 58.6 | Low | 78.1 | Confident | 60 Ų | 60 | 69.5 Ų | 69.5 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | trans | -118.5 | 93 | 166.6 | 175.4 | 0 | 0 | 0 | 0 | 105.1 | V575 | V575-V577 VanDerWaalsContact C-N 3.34Å; V575-V577 HydrophobicContact CG1-CB 4.15Å; V575-V577 HydrophobicContact CG1-CG2 3.37Å; V575-V577 PolarHBondContact O-N 3.31Å; V575-V577 VanDerWaalsContact O-N 3.13Å | ||
| 578 | D | 44.6 | Very low | 76.9 | Confident | 232 Ų | 232 | 73.7 Ų | 73.7 | 100% | 1.241 | 37% | 0.372 | S | S | * | . | trans | -85.7 | 0 | 168.4 | -75.3 | -30.8 | 0 | 0 | 0 | 109.4 |
Retrieved 578 of 578 residues in 147.1 ms
(Link to these results)