| 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 | 56.6 | Low | 67.5 | Low | 199 Ų | 199 | 111.8 Ų | 111.8 | 98% | 0.98 | 58% | 0.577 | S | S | * | * | 0 | -50.1 | 0 | -130.3 | 174.7 | -77.4 | 0 | 0 | 111 | F3 F4 N5 | M1-F3 PolarHBondContact O-N 3.21Å; M1-F4 PolarHBondContact O-N 3.2Å; M1-N5 VanDerWaalsContact O-CG 3.3Å; M1-N5 PolarHBondContact O-N 2.91Å; M1-N5 VanDerWaalsContact O-N 3.08Å; M1-N5 PolarHBondContact O-ND2 3.5Å | |||
| 2 | E | 61.1 | Low | 68.8 | Low | 172 Ų | 172 | 114.3 Ų | 114.3 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.8 | -43.6 | 177.1 | -71.1 | -177.2 | 150.2 | 0 | 0 | 114.9 | F4 N5 L6 | E2-F4 VanDerWaalsContact C-N 3.32Å; E2-F4 PolarHBondContact O-N 3.43Å; E2-N5 PolarHBondContact O-N 2.9Å; E2-L6 WeakPolarHBondContact O-CB 3.4Å; E2-L6 PolarHBondContact O-N 3.02Å |
| 3 | F | 60.8 | Low | 69.8 | Low | 153 Ų | 153 | 113.5 Ų | 113.5 | 67% | 0.671 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.8 | -35.9 | -179.7 | -149.4 | -90.4 | 0 | 0 | 0 | 112.8 | M1 Q7 | M1-F3 PolarHBondContact O-N 3.21Å; F3-Q7 HydrophobicContact CD1-CG 4.4Å; F3-Q7 WeakPolarHBondContact O-CG 3.45Å; F3-Q7 PolarHBondContact O-N 3.26Å |
| 4 | F | 63.1 | Low | 70.7 | Confident | 140 Ų | 140 | 110.6 Ų | 110.6 | 61% | 0.614 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -69.8 | -43.6 | 176.2 | -172.2 | -98.1 | 0 | 0 | 0 | 111 | M1 E2 L6 Q7 T8 | M1-F4 PolarHBondContact O-N 3.2Å; E2-F4 VanDerWaalsContact C-N 3.32Å; E2-F4 PolarHBondContact O-N 3.43Å; F4-L6 VanDerWaalsContact C-N 3.3Å; F4-L6 PolarHBondContact O-N 3.26Å; F4-Q7 PolarHBondContact O-N 3.3Å; F4-T8 HydrophobicContact CD1-CG2 4.49Å; F4-T8 HydrophobicContact CE1-CG2 4.2Å; F4-T8 PolarHBondContact O-N 2.83Å; F4-T8 PolarHBondContact O-OG1 3.15Å; F4-T8 VanDerWaalsContact O-OG1 3.05Å |
| 5 | N | 62.5 | Low | 71.7 | Confident | 90 Ų | 90 | 108.9 Ų | 108.9 | 48% | 0.481 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 175.7 | -70.7 | -14 | 0 | 0 | 0 | 112.7 | M1 E2 T8 S9 | M1-N5 VanDerWaalsContact O-CG 3.3Å; M1-N5 PolarHBondContact O-N 2.91Å; M1-N5 VanDerWaalsContact O-N 3.08Å; M1-N5 PolarHBondContact O-ND2 3.5Å; E2-N5 PolarHBondContact O-N 2.9Å; N5-T8 VanDerWaalsContact CA-OG1 3.31Å; N5-T8 WeakPolarHBondContact CA-OG1 3.26Å; N5-T8 PolarHBondContact O-OG1 3.27Å; N5-S9 WeakPolarHBondContact O-CB 3.45Å; N5-S9 PolarHBondContact O-N 2.85Å; N5-S9 VanDerWaalsContact O-N 3.08Å; N5-S9 PolarHBondContact O-OG 3.27Å |
| 6 | L | 64.8 | Low | 72.4 | Confident | 104 Ų | 104 | 107.9 Ų | 107.9 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.4 | -46.8 | 174.6 | -172.9 | 70.8 | 0 | 0 | 0 | 111.1 | E2 F4 T8 S9 V10 | E2-L6 WeakPolarHBondContact O-CB 3.4Å; E2-L6 PolarHBondContact O-N 3.02Å; F4-L6 VanDerWaalsContact C-N 3.3Å; F4-L6 PolarHBondContact O-N 3.26Å; L6-T8 PolarHBondContact O-N 3.12Å; L6-S9 PolarHBondContact O-N 2.91Å; L6-S9 VanDerWaalsContact O-N 3.16Å; L6-V10 HydrophobicContact CG-CG2 4.47Å; L6-V10 WeakPolarHBondContact O-CG2 3.31Å; L6-V10 PolarHBondContact O-N 3.23Å |
| 7 | Q | 65.3 | Low | 73.1 | Confident | 114 Ų | 114 | 106.7 Ų | 106.7 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 176.8 | -78.2 | 178.7 | -27 | 0 | 0 | 112.2 | F3 F4 S9 V10 A11 | F3-Q7 HydrophobicContact CD1-CG 4.4Å; F3-Q7 WeakPolarHBondContact O-CG 3.45Å; F3-Q7 PolarHBondContact O-N 3.26Å; F4-Q7 PolarHBondContact O-N 3.3Å; Q7-S9 VanDerWaalsContact C-N 3.31Å; Q7-S9 PolarHBondContact O-N 3.24Å; Q7-V10 PolarHBondContact O-N 3.37Å; Q7-A11 WeakPolarHBondContact O-CB 3.31Å; Q7-A11 PolarHBondContact O-N 3.23Å |
| 8 | T | 72.6 | Confident | 73.9 | Confident | 70 Ų | 70 | 102.6 Ų | 102.6 | 43% | 0.429 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -32.8 | 176.4 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | F4 N5 L6 R12 | F4-T8 HydrophobicContact CD1-CG2 4.49Å; F4-T8 HydrophobicContact CE1-CG2 4.2Å; F4-T8 PolarHBondContact O-N 2.83Å; F4-T8 PolarHBondContact O-OG1 3.15Å; F4-T8 VanDerWaalsContact O-OG1 3.05Å; N5-T8 VanDerWaalsContact CA-OG1 3.31Å; N5-T8 WeakPolarHBondContact CA-OG1 3.26Å; N5-T8 PolarHBondContact O-OG1 3.27Å; L6-T8 PolarHBondContact O-N 3.12Å; T8-R12 WeakPolarHBondContact O-CB 3.17Å; T8-R12 PolarHBondContact O-N 3.37Å; T8-R12 VanDerWaalsContact O-N 3.16Å |
| 9 | S | 77.8 | Confident | 74.6 | Confident | 52 Ų | 52 | 104.7 Ų | 104.7 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -73.3 | -41.9 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | N5 L6 Q7 R12 I13 | N5-S9 WeakPolarHBondContact O-CB 3.45Å; N5-S9 PolarHBondContact O-N 2.85Å; N5-S9 VanDerWaalsContact O-N 3.08Å; N5-S9 PolarHBondContact O-OG 3.27Å; L6-S9 PolarHBondContact O-N 2.91Å; L6-S9 VanDerWaalsContact O-N 3.16Å; Q7-S9 VanDerWaalsContact C-N 3.31Å; Q7-S9 PolarHBondContact O-N 3.24Å; S9-R12 PolarHBondContact O-N 2.93Å; S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.29Å; S9-I13 PolarHBondContact O-N 3.01Å |
| 10 | V | 77.5 | Confident | 75.3 | Confident | 89 Ų | 89 | 105.2 Ų | 105.2 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -43 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | L6 Q7 R12 I13 Y14 | L6-V10 HydrophobicContact CG-CG2 4.47Å; L6-V10 WeakPolarHBondContact O-CG2 3.31Å; L6-V10 PolarHBondContact O-N 3.23Å; Q7-V10 PolarHBondContact O-N 3.37Å; V10-R12 PolarHBondContact O-N 2.86Å; V10-I13 PolarHBondContact O-N 3.33Å; V10-Y14 WeakPolarHBondContact O-CB 3.3Å; V10-Y14 PolarHBondContact O-N 3.08Å |
| 11 | A | 80.9 | Confident | 76.1 | Confident | 47 Ų | 47 | 100.5 Ų | 100.5 | 39% | 0.388 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q7 I13 Y14 D15 | Q7-A11 WeakPolarHBondContact O-CB 3.31Å; Q7-A11 PolarHBondContact O-N 3.23Å; A11-I13 PolarHBondContact O-N 3.42Å; A11-Y14 WeakPolarHBondContact O-CB 3.38Å; A11-Y14 PolarHBondContact O-N 3.42Å; A11-Y14 VanDerWaalsContact O-N 3.16Å; A11-D15 PolarHBondContact O-N 3.08Å |
| 12 | R | 83.1 | Confident | 77.9 | Confident | 142 Ų | 142 | 91.6 Ų | 91.6 | 54% | 0.536 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 178.3 | -174.5 | 174.6 | 66.9 | 94.4 | -4.9 | 113.2 | T8 S9 V10 Y14 D15 E16 | T8-R12 WeakPolarHBondContact O-CB 3.17Å; T8-R12 PolarHBondContact O-N 3.37Å; T8-R12 VanDerWaalsContact O-N 3.16Å; S9-R12 PolarHBondContact O-N 2.93Å; V10-R12 PolarHBondContact O-N 2.86Å; R12-Y14 VanDerWaalsContact C-N 3.3Å; R12-Y14 PolarHBondContact O-N 2.95Å; R12-D15 PolarHBondContact O-N 2.97Å; R12-E16 WeakPolarHBondContact CG-OE1 3.34Å; R12-E16 IonicContact CZ-OE1 3.75Å; R12-E16 IonicContact NH1-OE1 2.79Å; R12-E16 PolarHBondContact NH1-OE1 3.22Å; R12-E16 WeakPolarHBondContact O-CB 3.43Å; R12-E16 WeakPolarHBondContact O-CG 3.22Å; R12-E16 PolarHBondContact O-N 3.21Å |
| 13 | I | 81.2 | Confident | 79.4 | Confident | 103 Ų | 103 | 89.6 Ų | 89.6 | 53% | 0.528 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 176.7 | -69.2 | 165.1 | 0 | 0 | 0 | 110.7 | S9 V10 A11 F17 | S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.29Å; S9-I13 PolarHBondContact O-N 3.01Å; V10-I13 PolarHBondContact O-N 3.33Å; A11-I13 PolarHBondContact O-N 3.42Å; I13-F17 VanDerWaalsContact O-CB 3.26Å; I13-F17 WeakPolarHBondContact O-CB 3.39Å; I13-F17 PolarHBondContact O-N 3.04Å |
| 14 | Y | 83.1 | Confident | 81.1 | Confident | 73 Ų | 73 | 83.7 Ų | 83.7 | 29% | 0.286 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.3 | -43.3 | 176.5 | -179.3 | -99.5 | 0 | 0 | 0 | 111.9 | V10 A11 R12 F17 I18 S32 S33 P34 | V10-Y14 WeakPolarHBondContact O-CB 3.3Å; V10-Y14 PolarHBondContact O-N 3.08Å; A11-Y14 WeakPolarHBondContact O-CB 3.38Å; A11-Y14 PolarHBondContact O-N 3.42Å; A11-Y14 VanDerWaalsContact O-N 3.16Å; R12-Y14 VanDerWaalsContact C-N 3.3Å; R12-Y14 PolarHBondContact O-N 2.95Å; Y14-F17 WeakPolarHBondContact O-CB 3.48Å; Y14-F17 PolarHBondContact O-N 3.4Å; Y14-I18 HydrophobicContact CE1-CG2 4.48Å; Y14-I18 WeakPolarHBondContact O-CB 3.15Å; Y14-I18 PolarHBondContact O-N 2.79Å; Y14-S32 PolarHBondContact OH-O 3.05Å; Y14-S33 WeakPolarHBondContact OH-CA 3.33Å; Y14-S33 VanDerWaalsContact OH-CB 3.24Å; Y14-S33 WeakPolarHBondContact OH-CB 3.34Å; Y14-P34 HydrophobicContact CE2-CG 4.45Å |
| 15 | D | 85 | Confident | 82.6 | Confident | 85 Ų | 85 | 77 Ų | 77 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.4 | -65.9 | -21.6 | 0 | 0 | 0 | 111.1 | A11 R12 F17 I18 Q19 | A11-D15 PolarHBondContact O-N 3.08Å; R12-D15 PolarHBondContact O-N 2.97Å; D15-F17 VanDerWaalsContact C-N 3.3Å; D15-F17 PolarHBondContact O-N 3.32Å; D15-I18 PolarHBondContact O-N 3.17Å; D15-Q19 VanDerWaalsContact O-CG 3.23Å; D15-Q19 WeakPolarHBondContact O-CG 3.39Å; D15-Q19 PolarHBondContact O-N 2.78Å |
| 16 | E | 83.4 | Confident | 84 | Confident | 93 Ų | 93 | 76.8 Ų | 76.8 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 173.5 | -73.8 | 172.1 | -165.6 | 0 | 0 | 111.6 | R12 | R12-E16 WeakPolarHBondContact CG-OE1 3.34Å; R12-E16 IonicContact CZ-OE1 3.75Å; R12-E16 IonicContact NH1-OE1 2.79Å; R12-E16 PolarHBondContact NH1-OE1 3.22Å; R12-E16 WeakPolarHBondContact O-CB 3.43Å; R12-E16 WeakPolarHBondContact O-CG 3.22Å; R12-E16 PolarHBondContact O-N 3.21Å |
| 17 | F | 83.3 | Confident | 85.4 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 39% | 0.386 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.6 | -43 | 178.7 | 179 | -105.9 | 0 | 0 | 0 | 112.6 | I13 Y14 D15 Q19 W159 F160 F164 | I13-F17 VanDerWaalsContact O-CB 3.26Å; I13-F17 WeakPolarHBondContact O-CB 3.39Å; I13-F17 PolarHBondContact O-N 3.04Å; Y14-F17 WeakPolarHBondContact O-CB 3.48Å; Y14-F17 PolarHBondContact O-N 3.4Å; D15-F17 VanDerWaalsContact C-N 3.3Å; D15-F17 PolarHBondContact O-N 3.32Å; F17-Q19 VanDerWaalsContact C-N 3.33Å; F17-Q19 PolarHBondContact O-N 3.47Å; F17-W159 HydrophobicContact CE1-CZ3 4.5Å; F17-F160 HydrophobicContact CE1-CD1 4.02Å; F17-F160 AromaticContact CE1-CE1 3.75Å; F17-F160 HydrophobicContact CE1-CE1 3.75Å; F17-F160 AromaticContact CZ-CD1 3.64Å; F17-F160 HydrophobicContact CZ-CD1 3.64Å; F17-F160 AromaticContact CZ-CE1 3.61Å; F17-F160 HydrophobicContact CZ-CE1 3.61Å; F17-F164 HydrophobicContact CD1-CE2 4.42Å; F17-F164 AromaticContact CD1-CZ 3.89Å; F17-F164 HydrophobicContact CD1-CZ 3.89Å; F17-F164 HydrophobicContact CD2-CZ 4.45Å; F17-F164 AromaticContact CE1-CE2 3.53Å; F17-F164 HydrophobicContact CE1-CE2 3.53Å; F17-F164 AromaticContact CE1-CZ 3.42Å; F17-F164 HydrophobicContact CE1-CZ 3.42Å; F17-F164 VanDerWaalsContact CE1-CZ 3.42Å; F17-F164 HydrophobicContact CE2-CE2 4.35Å; F17-F164 HydrophobicContact CE2-CZ 4.05Å; F17-F164 HydrophobicContact CG-CZ 4.38Å; F17-F164 AromaticContact CZ-CE2 3.49Å; F17-F164 HydrophobicContact CZ-CE2 3.49Å; F17-F164 VanDerWaalsContact CZ-CE2 3.49Å; F17-F164 AromaticContact CZ-CZ 3.52Å; F17-F164 HydrophobicContact CZ-CZ 3.52Å; F17-F164 VanDerWaalsContact O-CE1 3.31Å; F17-F164 WeakPolarHBondContact O-CE1 3.32Å; F17-F164 WeakPolarHBondContact O-CZ 3.46Å |
| 18 | I | 88.6 | Confident | 87 | Confident | 32 Ų | 32 | 77 Ų | 77 | 16% | 0.164 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -79.6 | -14.2 | -174.9 | -152 | 67.3 | 0 | 0 | 0 | 113.2 | Y14 D15 N20 A21 W159 R163 F164 | Y14-I18 HydrophobicContact CE1-CG2 4.48Å; Y14-I18 WeakPolarHBondContact O-CB 3.15Å; Y14-I18 PolarHBondContact O-N 2.79Å; D15-I18 PolarHBondContact O-N 3.17Å; I18-N20 PolarHBondContact O-N 3.41Å; I18-A21 HydrophobicContact CD1-CB 3.83Å; I18-A21 HydrophobicContact CG1-CB 4.07Å; I18-A21 WeakPolarHBondContact O-CB 3.16Å; I18-A21 PolarHBondContact O-N 3.47Å; I18-W159 HydrophobicContact CD1-CH2 4.23Å; I18-R163 HydrophobicContact CD1-CG 4.17Å; I18-F164 HydrophobicContact CD1-CZ 4.49Å |
| 19 | Q | 87.5 | Confident | 88.2 | Confident | 144 Ų | 144 | 78.7 Ų | 78.7 | 67% | 0.673 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.7 | 178.6 | -87.2 | 167.1 | 27.9 | 0 | 0 | 113.9 | D15 F17 A21 | D15-Q19 VanDerWaalsContact O-CG 3.23Å; D15-Q19 WeakPolarHBondContact O-CG 3.39Å; D15-Q19 PolarHBondContact O-N 2.78Å; F17-Q19 VanDerWaalsContact C-N 3.33Å; F17-Q19 PolarHBondContact O-N 3.47Å; Q19-A21 VanDerWaalsContact C-N 3.29Å |
| 20 | N | 87.7 | Confident | 89.1 | Confident | 113 Ų | 113 | 77.6 Ų | 77.6 | 60% | 0.604 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 8.9 | -179.5 | -63.5 | -54.5 | 0 | 0 | 0 | 113.4 | I18 F164 F235 | I18-N20 PolarHBondContact O-N 3.41Å; N20-F164 HydrophobicContact CB-CD1 4.43Å; N20-F164 HydrophobicContact CB-CE1 4.31Å; N20-F164 WeakPolarHBondContact O-CD1 3.4Å; N20-F235 HydrophobicContact CB-CE1 4.47Å; N20-F235 HydrophobicContact CB-CZ 4.39Å |
| 21 | A | 92.8 | Very high | 90 | Very high | 8 Ų | 8 | 73.4 Ų | 73.4 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -85.5 | 146.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I18 Q19 L23 R163 F164 | I18-A21 HydrophobicContact CD1-CB 3.83Å; I18-A21 HydrophobicContact CG1-CB 4.07Å; I18-A21 WeakPolarHBondContact O-CB 3.16Å; I18-A21 PolarHBondContact O-N 3.47Å; Q19-A21 VanDerWaalsContact C-N 3.29Å; A21-L23 PolarHBondContact O-N 3.05Å; A21-L23 VanDerWaalsContact O-N 3.14Å; A21-R163 VanDerWaalsContact C-NH1 3.26Å; A21-R163 CarbonylContact C-O 3.52Å; A21-R163 WeakPolarHBondContact CA-O 3.43Å; A21-R163 HydrophobicContact CB-CG 3.89Å; A21-F164 HydrophobicContact CB-CD1 4.08Å; A21-F164 HydrophobicContact CB-CE1 3.68Å; A21-F164 HydrophobicContact CB-CZ 3.96Å |
| 22 | D | 93.4 | Very high | 90.5 | Very high | 11 Ų | 11 | 75 Ų | 75 | 6% | 0.059 | 36% | 0.364 | C | S | . | . | trans | -70.1 | 106.8 | -176.2 | -171.8 | -22.6 | 0 | 0 | 0 | 112.1 | R24 T25 Y104 R163 P166 | D22-R24 PolarHBondContact O-N 2.68Å; D22-R24 VanDerWaalsContact O-N 3.16Å; D22-R24 WeakPolarHBondContact OD1-CB 3.38Å; D22-R24 VanDerWaalsContact OD1-CG 3.25Å; D22-R24 WeakPolarHBondContact OD1-CG 3.18Å; D22-R24 IonicContact OD1-CZ 3.03Å; D22-R24 PolarHBondContact OD1-N 2.84Å; D22-R24 IonicContact OD1-NE 2.66Å; D22-R24 PolarHBondContact OD1-NE 3.04Å; D22-R24 IonicContact OD2-CZ 3.48Å; D22-R24 VanDerWaalsContact OD2-CZ 3.24Å; D22-R24 IonicContact OD2-NE 2.73Å; D22-R24 PolarHBondContact OD2-NE 3.44Å; D22-R24 IonicContact OD2-NH2 3.39Å; D22-R24 PolarHBondContact OD2-NH2 3.5Å; D22-T25 PolarHBondContact O-N 3.41Å; D22-T25 PolarHBondContact O-OG1 3.42Å; D22-Y104 HydrophobicContact CB-CD1 4.44Å; D22-Y104 HydrophobicContact CB-CE1 4.33Å; D22-Y104 WeakPolarHBondContact OD2-CD1 3.31Å; D22-R163 PolarHBondContact N-O 3.04Å; D22-R163 PolarHBondContact O-NH1 3.25Å; D22-P166 HydrophobicContact CB-CG 4.36Å; D22-P166 WeakPolarHBondContact OD2-CG 3.07Å | ||
| 23 | L | 93.3 | Very high | 90.9 | Very high | 130 Ų | 130 | 69.5 Ų | 69.5 | 68% | 0.681 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -58.1 | -26.6 | -177.6 | -60.8 | 178.4 | 0 | 0 | 0 | 113.3 | A21 T25 E26 | A21-L23 PolarHBondContact O-N 3.05Å; A21-L23 VanDerWaalsContact O-N 3.14Å; L23-T25 PolarHBondContact O-N 3.11Å; L23-T25 VanDerWaalsContact O-N 3.15Å; L23-E26 WeakPolarHBondContact O-CB 3.29Å; L23-E26 PolarHBondContact O-N 3.22Å |
| 24 | R | 96.4 | Very high | 91.5 | Very high | 29 Ų | 29 | 66 Ų | 66 | 11% | 0.109 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -61.6 | -26.9 | -178.7 | -57.7 | 174.2 | -57.4 | 169.5 | 0.2 | 112.5 | D22 D103 S105 D106 M111 | D22-R24 PolarHBondContact O-N 2.68Å; D22-R24 VanDerWaalsContact O-N 3.16Å; D22-R24 WeakPolarHBondContact OD1-CB 3.38Å; D22-R24 VanDerWaalsContact OD1-CG 3.25Å; D22-R24 WeakPolarHBondContact OD1-CG 3.18Å; D22-R24 IonicContact OD1-CZ 3.03Å; D22-R24 PolarHBondContact OD1-N 2.84Å; D22-R24 IonicContact OD1-NE 2.66Å; D22-R24 PolarHBondContact OD1-NE 3.04Å; D22-R24 IonicContact OD2-CZ 3.48Å; D22-R24 VanDerWaalsContact OD2-CZ 3.24Å; D22-R24 IonicContact OD2-NE 2.73Å; D22-R24 PolarHBondContact OD2-NE 3.44Å; D22-R24 IonicContact OD2-NH2 3.39Å; D22-R24 PolarHBondContact OD2-NH2 3.5Å; R24-D103 PolarHBondContact NH1-O 2.9Å; R24-D103 PolarHBondContact NH2-O 3.49Å; R24-S105 PolarHBondContact NH1-O 2.93Å; R24-D106 WeakPolarHBondContact CD-OD1 3.31Å; R24-D106 WeakPolarHBondContact CG-OD1 3.26Å; R24-M111 HydrophobicContact CB-CE 4.29Å; R24-M111 HydrophobicContact CB-SD 3.97Å; R24-M111 HydrophobicContact CG-SD 4.05Å |
| 25 | T | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -98.2 | -6.7 | -175.8 | 68.5 | 0 | 0 | 0 | 0 | 113.9 | D22 L23 Q27 W28 M31 V162 P166 | D22-T25 PolarHBondContact O-N 3.41Å; D22-T25 PolarHBondContact O-OG1 3.42Å; L23-T25 PolarHBondContact O-N 3.11Å; L23-T25 VanDerWaalsContact O-N 3.15Å; T25-Q27 VanDerWaalsContact C-N 3.32Å; T25-Q27 PolarHBondContact O-N 3.41Å; T25-W28 HydrophobicContact CG2-CD2 4.5Å; T25-W28 HydrophobicContact CG2-CE3 3.85Å; T25-W28 HydrophobicContact CG2-CH2 4.05Å; T25-W28 HydrophobicContact CG2-CZ3 3.59Å; T25-W28 WeakPolarHBondContact O-CB 3.32Å; T25-W28 PolarHBondContact O-N 3.47Å; T25-M31 WeakPolarHBondContact O-CB 3.24Å; T25-V162 HydrophobicContact CG2-CG1 4.14Å; T25-P166 HydrophobicContact CG2-CG 4.39Å |
| 26 | E | 92.2 | Very high | 92.6 | Very high | 85 Ų | 85 | 65.6 Ų | 65.6 | 40% | 0.397 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -41.6 | -166.5 | -176.3 | -178.2 | -158.7 | 0 | 0 | 113.5 | L23 W28 | L23-E26 WeakPolarHBondContact O-CB 3.29Å; L23-E26 PolarHBondContact O-N 3.22Å; E26-W28 VanDerWaalsContact C-N 3.31Å |
| 27 | Q | 94.1 | Very high | 93.3 | Very high | 162 Ų | 162 | 61.2 Ų | 61.2 | 76% | 0.757 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.6 | -176 | -58 | -57.6 | -38.1 | 0 | 0 | 113.1 | T25 | T25-Q27 VanDerWaalsContact C-N 3.32Å; T25-Q27 PolarHBondContact O-N 3.41Å |
| 28 | W | 97.6 | Very high | 94 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 24% | 0.235 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -76.6 | 152.8 | 178.5 | -62.5 | -3.9 | 0 | 0 | 0 | 111 | T25 E26 L30 M31 M111 A114 A115 W118 | T25-W28 HydrophobicContact CG2-CD2 4.5Å; T25-W28 HydrophobicContact CG2-CE3 3.85Å; T25-W28 HydrophobicContact CG2-CH2 4.05Å; T25-W28 HydrophobicContact CG2-CZ3 3.59Å; T25-W28 WeakPolarHBondContact O-CB 3.32Å; T25-W28 PolarHBondContact O-N 3.47Å; E26-W28 VanDerWaalsContact C-N 3.31Å; W28-L30 PolarHBondContact O-N 3.43Å; W28-M31 HydrophobicContact CB-CB 4.31Å; W28-M31 HydrophobicContact CB-CG 3.8Å; W28-M31 WeakPolarHBondContact O-CB 3.3Å; W28-M31 PolarHBondContact O-N 3.4Å; W28-M111 HydrophobicContact CZ2-CE 4Å; W28-A114 HydrophobicContact CH2-CB 3.81Å; W28-A114 HydrophobicContact CZ3-CB 4.27Å; W28-A114 WeakPolarHBondContact CZ3-O 3.32Å; W28-A115 HydrophobicContact CH2-CB 4.08Å; W28-W118 HydrophobicContact CD2-CG 4.37Å; W28-W118 HydrophobicContact CE3-CB 3.39Å; W28-W118 AromaticContact CE3-CD1 3.8Å; W28-W118 HydrophobicContact CE3-CD2 4.34Å; W28-W118 AromaticContact CE3-CG 3.53Å; W28-W118 HydrophobicContact CE3-CG 3.53Å; W28-W118 HydrophobicContact CZ3-CB 3.49Å; W28-W118 VanDerWaalsContact CZ3-CB 3.49Å; W28-W118 HydrophobicContact CZ3-CG 4.14Å |
| 29 | L | 97.9 | Very high | 94.4 | Very high | 105 Ų | 105 | 63 Ų | 63 | 55% | 0.55 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 130.9 | -177.2 | 176.7 | 69.5 | 0 | 0 | 0 | 110.6 | M31 W118 F122 | L29-M31 PolarHBondContact O-N 3.24Å; L29-W118 HydrophobicContact CB-CZ2 3.92Å; L29-W118 HydrophobicContact CD2-CZ2 4.47Å; L29-W118 PolarHBondContact O-NE1 3.39Å; L29-F122 HydrophobicContact CD2-CD2 4.35Å; L29-F122 HydrophobicContact CD2-CE2 3.68Å; L29-F122 HydrophobicContact CD2-CZ 4.25Å |
| 30 | L | 96.9 | Very high | 94.9 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 15% | 0.152 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 5.6 | -175.1 | -58 | 172.7 | 0 | 0 | 0 | 116.3 | W28 P36 I40 Y121 F125 W159 | W28-L30 PolarHBondContact O-N 3.43Å; L30-P36 HydrophobicContact CD2-CB 3.81Å; L30-I40 HydrophobicContact CD1-CD1 4.38Å; L30-I40 HydrophobicContact CD2-CD1 3.94Å; L30-Y121 HydrophobicContact CB-CE1 4.08Å; L30-Y121 HydrophobicContact CD1-CE1 4.46Å; L30-F125 HydrophobicContact CD1-CD2 4.36Å; L30-F125 HydrophobicContact CD1-CE2 4Å; L30-F125 HydrophobicContact CD1-CZ 4.11Å; L30-W159 VanDerWaalsContact O-CD1 3.3Å; L30-W159 PolarHBondContact O-NE1 3.13Å |
| 31 | M | 96.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -92.3 | -9.2 | -177.2 | -62.7 | -51.3 | -54.5 | 0 | 0 | 115.2 | T25 W28 L29 S33 Y121 V162 R163 | T25-M31 WeakPolarHBondContact O-CB 3.24Å; W28-M31 HydrophobicContact CB-CB 4.31Å; W28-M31 HydrophobicContact CB-CG 3.8Å; W28-M31 WeakPolarHBondContact O-CB 3.3Å; W28-M31 PolarHBondContact O-N 3.4Å; L29-M31 PolarHBondContact O-N 3.24Å; M31-S33 VanDerWaalsContact C-N 3.34Å; M31-S33 PolarHBondContact O-N 3.12Å; M31-Y121 HydrophobicContact SD-CD1 4.31Å; M31-Y121 HydrophobicContact SD-CE1 4.07Å; M31-V162 HydrophobicContact CE-CB 3.77Å; M31-V162 HydrophobicContact CE-CG1 3.61Å; M31-V162 HydrophobicContact SD-CB 4.18Å; M31-V162 HydrophobicContact SD-CG1 3.82Å; M31-R163 HydrophobicContact CE-CB 3.62Å; M31-R163 HydrophobicContact CE-CG 4.31Å | ||
| 32 | S | 91.4 | Very high | 95.7 | Very high | 81 Ų | 81 | 56.9 Ų | 56.9 | 57% | 0.566 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -63.1 | -37.1 | -176.9 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | Y14 | Y14-S32 PolarHBondContact OH-O 3.05Š|
| 33 | S | 92.5 | Very high | 96 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | trans | -160.3 | 163.8 | 174.9 | 78 | 0 | 0 | 0 | 0 | 110 | Y14 M31 L35 P36 W159 | Y14-S33 WeakPolarHBondContact OH-CA 3.33Å; Y14-S33 VanDerWaalsContact OH-CB 3.24Å; Y14-S33 WeakPolarHBondContact OH-CB 3.34Å; M31-S33 VanDerWaalsContact C-N 3.34Å; M31-S33 PolarHBondContact O-N 3.12Å; S33-L35 PolarHBondContact O-N 3.17Å; S33-L35 PolarHBondContact OG-N 3.41Å; S33-P36 WeakPolarHBondContact O-CD 3.41Å; S33-P36 VanDerWaalsContact OG-CD 3.23Å; S33-P36 WeakPolarHBondContact OG-CD 3.25Å; S33-W159 PolarHBondContact O-NE1 3.36Å | ||
| 34 | P | 93.8 | Very high | 96.2 | Very high | 28 Ų | 28 | 53.5 Ų | 53.5 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -77 | -5.2 | 177.2 | 31 | -33.1 | 0 | 0 | 0 | 112.4 | Y14 Q37 T38 W159 | Y14-P34 HydrophobicContact CE2-CG 4.45Å; P34-Q37 WeakPolarHBondContact O-CG 3.22Å; P34-T38 WeakPolarHBondContact O-CB 3.29Å; P34-T38 PolarHBondContact O-N 3.06Å; P34-T38 PolarHBondContact O-OG1 3.35Å; P34-W159 HydrophobicContact CB-CD2 4.06Å; P34-W159 HydrophobicContact CB-CE3 3.9Å; P34-W159 HydrophobicContact CB-CH2 4.07Å; P34-W159 HydrophobicContact CB-CZ2 4.2Å; P34-W159 HydrophobicContact CB-CZ3 3.91Å; P34-W159 HydrophobicContact CG-CH2 4.08Å; P34-W159 HydrophobicContact CG-CZ2 4.47Å; P34-W159 HydrophobicContact CG-CZ3 4.15Å; P34-W159 VanDerWaalsContact N-CZ2 3.33Å |
| 35 | L | 94.5 | Very high | 96.3 | Very high | 108 Ų | 108 | 55.2 Ų | 55.2 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.7 | -49.2 | -174.4 | 179.4 | 65.4 | 0 | 0 | 0 | 113 | S33 Q37 T38 I39 | S33-L35 PolarHBondContact O-N 3.17Å; S33-L35 PolarHBondContact OG-N 3.41Å; L35-Q37 VanDerWaalsContact C-N 3.35Å; L35-Q37 PolarHBondContact O-N 2.79Å; L35-T38 WeakPolarHBondContact O-CB 3.49Å; L35-T38 PolarHBondContact O-N 2.98Å; L35-T38 VanDerWaalsContact O-N 3.09Å; L35-I39 HydrophobicContact CD1-CD1 4.11Å; L35-I39 HydrophobicContact CD1-CG1 4.26Å; L35-I39 HydrophobicContact CG-CD1 4.01Å; L35-I39 WeakPolarHBondContact O-CG1 3.45Å; L35-I39 PolarHBondContact O-N 3.3Å |
| 36 | P | 96.5 | Very high | 96.5 | Very high | 43 Ų | 43 | 61.1 Ų | 61.1 | 28% | 0.279 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.5 | -46.9 | 178.2 | -28.2 | 35.8 | 0 | 0 | 0 | 113.2 | L30 S33 T38 I39 I40 | L30-P36 HydrophobicContact CD2-CB 3.81Å; S33-P36 WeakPolarHBondContact O-CD 3.41Å; S33-P36 VanDerWaalsContact OG-CD 3.23Å; S33-P36 WeakPolarHBondContact OG-CD 3.25Å; P36-T38 VanDerWaalsContact C-N 3.32Å; P36-T38 PolarHBondContact O-N 2.89Å; P36-I39 PolarHBondContact O-N 2.71Å; P36-I40 WeakPolarHBondContact O-CG1 3.49Å; P36-I40 PolarHBondContact O-N 2.89Å; P36-I40 VanDerWaalsContact O-N 3.08Å |
| 37 | Q | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 178.1 | 61.9 | 156.2 | 8.2 | 0 | 0 | 112.9 | P34 L35 I39 I40 I41 Y121 F125 P155 F156 W159 | P34-Q37 WeakPolarHBondContact O-CG 3.22Å; L35-Q37 VanDerWaalsContact C-N 3.35Å; L35-Q37 PolarHBondContact O-N 2.79Å; Q37-I39 VanDerWaalsContact C-N 3.31Å; Q37-I39 PolarHBondContact O-N 3.26Å; Q37-I40 PolarHBondContact O-N 3.35Å; Q37-I41 WeakPolarHBondContact O-CB 3.31Å; Q37-I41 WeakPolarHBondContact O-CD1 3.32Å; Q37-I41 VanDerWaalsContact O-CG1 3.22Å; Q37-I41 WeakPolarHBondContact O-CG1 3.45Å; Q37-I41 PolarHBondContact O-N 3.48Å; Q37-Y121 WeakPolarHBondContact CB-OH 3.32Å; Q37-Y121 PolarHBondContact OE1-OH 3.3Å; Q37-F125 HydrophobicContact CB-CE1 4.25Å; Q37-F125 HydrophobicContact CB-CZ 3.82Å; Q37-P155 PolarHBondContact OE1-O 3.19Å; Q37-F156 PolarHBondContact NE2-O 3.4Å; Q37-W159 VanDerWaalsContact CD-CB 3.4Å; Q37-W159 HydrophobicContact CG-CG 4.42Å; Q37-W159 VanDerWaalsContact NE2-CG 3.32Å |
| 38 | T | 97.6 | Very high | 97 | Very high | 56 Ų | 56 | 52 Ų | 52 | 34% | 0.344 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 179.2 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | P34 L35 P36 I41 A42 | P34-T38 WeakPolarHBondContact O-CB 3.29Å; P34-T38 PolarHBondContact O-N 3.06Å; P34-T38 PolarHBondContact O-OG1 3.35Å; L35-T38 WeakPolarHBondContact O-CB 3.49Å; L35-T38 PolarHBondContact O-N 2.98Å; L35-T38 VanDerWaalsContact O-N 3.09Å; P36-T38 VanDerWaalsContact C-N 3.32Å; P36-T38 PolarHBondContact O-N 2.89Å; T38-I41 PolarHBondContact O-N 3.4Å; T38-A42 VanDerWaalsContact O-CB 3.26Å; T38-A42 WeakPolarHBondContact O-CB 3.02Å; T38-A42 PolarHBondContact O-N 3.01Å |
| 39 | I | 98.2 | Very high | 97 | Very high | 103 Ų | 103 | 52.8 Ų | 52.8 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63 | -46.4 | 175.1 | -65.7 | 167.7 | 0 | 0 | 0 | 110.6 | L35 P36 Q37 I41 A42 A43 | L35-I39 HydrophobicContact CD1-CD1 4.11Å; L35-I39 HydrophobicContact CD1-CG1 4.26Å; L35-I39 HydrophobicContact CG-CD1 4.01Å; L35-I39 WeakPolarHBondContact O-CG1 3.45Å; L35-I39 PolarHBondContact O-N 3.3Å; P36-I39 PolarHBondContact O-N 2.71Å; Q37-I39 VanDerWaalsContact C-N 3.31Å; Q37-I39 PolarHBondContact O-N 3.26Å; I39-I41 PolarHBondContact O-N 3.18Å; I39-A42 PolarHBondContact O-N 3.17Å; I39-A43 VanDerWaalsContact O-CB 3.3Å; I39-A43 WeakPolarHBondContact O-CB 3.4Å; I39-A43 PolarHBondContact O-N 2.83Å |
| 40 | I | 98.4 | Very high | 97 | Very high | 71 Ų | 71 | 49.1 Ų | 49.1 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 178.4 | -67.9 | 166 | 0 | 0 | 0 | 110.9 | L30 P36 Q37 A43 Y44 F125 | L30-I40 HydrophobicContact CD1-CD1 4.38Å; L30-I40 HydrophobicContact CD2-CD1 3.94Å; P36-I40 WeakPolarHBondContact O-CG1 3.49Å; P36-I40 PolarHBondContact O-N 2.89Å; P36-I40 VanDerWaalsContact O-N 3.08Å; Q37-I40 PolarHBondContact O-N 3.35Å; I40-A43 PolarHBondContact O-N 3.12Å; I40-Y44 WeakPolarHBondContact O-CB 3.32Å; I40-Y44 PolarHBondContact O-N 2.84Å; I40-F125 HydrophobicContact CB-CE1 4.42Å; I40-F125 HydrophobicContact CG2-CD1 3.84Å; I40-F125 HydrophobicContact CG2-CE1 3.99Å |
| 41 | I | 98.5 | Very high | 97 | Very high | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | -178.8 | -66.6 | 164.8 | 0 | 0 | 0 | 110.8 | Q37 T38 I39 Y44 I45 F125 M128 P155 F156 | Q37-I41 WeakPolarHBondContact O-CB 3.31Å; Q37-I41 WeakPolarHBondContact O-CD1 3.32Å; Q37-I41 VanDerWaalsContact O-CG1 3.22Å; Q37-I41 WeakPolarHBondContact O-CG1 3.45Å; Q37-I41 PolarHBondContact O-N 3.48Å; T38-I41 PolarHBondContact O-N 3.4Å; I39-I41 PolarHBondContact O-N 3.18Å; I41-Y44 WeakPolarHBondContact O-CB 3.28Å; I41-Y44 PolarHBondContact O-N 3.06Å; I41-I45 HydrophobicContact CG2-CD1 3.97Å; I41-I45 HydrophobicContact CG2-CG1 4.43Å; I41-I45 WeakPolarHBondContact O-CG1 3.23Å; I41-I45 PolarHBondContact O-N 2.88Å; I41-F125 HydrophobicContact CD1-CE1 4.46Å; I41-F125 HydrophobicContact CG1-CE1 4.22Å; I41-M128 HydrophobicContact CG1-CE 4.32Å; I41-P155 HydrophobicContact CD1-CB 4.15Å; I41-P155 HydrophobicContact CD1-CG 3.94Å; I41-P155 HydrophobicContact CG1-CG 4.28Å; I41-F156 HydrophobicContact CD1-CB 3.8Å; I41-F156 HydrophobicContact CD1-CD2 4.38Å |
| 42 | A | 98.4 | Very high | 97.1 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 45% | 0.446 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T38 I39 Y44 I45 Y46 | T38-A42 VanDerWaalsContact O-CB 3.26Å; T38-A42 WeakPolarHBondContact O-CB 3.02Å; T38-A42 PolarHBondContact O-N 3.01Å; I39-A42 PolarHBondContact O-N 3.17Å; A42-Y44 VanDerWaalsContact C-N 3.33Å; A42-Y44 PolarHBondContact O-N 3.43Å; A42-I45 PolarHBondContact O-N 3.46Å; A42-Y46 WeakPolarHBondContact O-CB 3.28Å; A42-Y46 PolarHBondContact O-N 3.49Å |
| 43 | A | 98.6 | Very high | 97.3 | Very high | 58 Ų | 58 | 48.5 Ų | 48.5 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I39 I40 F47 | I39-A43 VanDerWaalsContact O-CB 3.3Å; I39-A43 WeakPolarHBondContact O-CB 3.4Å; I39-A43 PolarHBondContact O-N 2.83Å; I40-A43 PolarHBondContact O-N 3.12Å; A43-F47 VanDerWaalsContact O-CB 3.29Å; A43-F47 WeakPolarHBondContact O-CB 3.31Å; A43-F47 PolarHBondContact O-N 3.27Å |
| 44 | Y | 98.6 | Very high | 97.6 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.8 | -51 | 174.1 | 158.7 | -97 | 0 | 0 | 0 | 112.3 | I40 I41 A42 Y46 F47 V48 M128 T131 V148 | I40-Y44 WeakPolarHBondContact O-CB 3.32Å; I40-Y44 PolarHBondContact O-N 2.84Å; I41-Y44 WeakPolarHBondContact O-CB 3.28Å; I41-Y44 PolarHBondContact O-N 3.06Å; A42-Y44 VanDerWaalsContact C-N 3.33Å; A42-Y44 PolarHBondContact O-N 3.43Å; Y44-Y46 VanDerWaalsContact C-N 3.31Å; Y44-Y46 PolarHBondContact O-N 3.34Å; Y44-F47 PolarHBondContact O-N 3.08Å; Y44-F47 VanDerWaalsContact O-N 3.15Å; Y44-V48 HydrophobicContact CD2-CG1 3.76Å; Y44-V48 HydrophobicContact CE1-CG2 4.28Å; Y44-V48 HydrophobicContact CE2-CG1 3.55Å; Y44-V48 HydrophobicContact CE2-CG2 4.28Å; Y44-V48 WeakPolarHBondContact O-CG2 3.44Å; Y44-V48 PolarHBondContact O-N 3.28Å; Y44-M128 HydrophobicContact CD1-CE 3.4Å; Y44-M128 HydrophobicContact CD2-CB 3.92Å; Y44-M128 HydrophobicContact CD2-CE 3.59Å; Y44-M128 HydrophobicContact CD2-CG 4.37Å; Y44-M128 HydrophobicContact CE1-CE 4.12Å; Y44-M128 HydrophobicContact CE2-CB 3.78Å; Y44-M128 HydrophobicContact CE2-CE 4.26Å; Y44-M128 HydrophobicContact CE2-CG 4.22Å; Y44-M128 WeakPolarHBondContact CE2-O 3.5Å; Y44-M128 HydrophobicContact CG-CE 3.09Å; Y44-T131 VanDerWaalsContact OH-CB 3.31Å; Y44-T131 WeakPolarHBondContact OH-CB 3.35Å; Y44-T131 PolarHBondContact OH-OG1 3.34Å; Y44-V148 HydrophobicContact CE1-CG1 4.41Å |
| 45 | I | 98.6 | Very high | 97.7 | Very high | 65 Ų | 65 | 58.4 Ų | 58.4 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.8 | -48.6 | 179.5 | -69.1 | 168.8 | 0 | 0 | 0 | 109.4 | I41 A42 F47 V48 T49 V148 S152 | I41-I45 HydrophobicContact CG2-CD1 3.97Å; I41-I45 HydrophobicContact CG2-CG1 4.43Å; I41-I45 WeakPolarHBondContact O-CG1 3.23Å; I41-I45 PolarHBondContact O-N 2.88Å; A42-I45 PolarHBondContact O-N 3.46Å; I45-F47 VanDerWaalsContact C-N 3.33Å; I45-F47 PolarHBondContact O-N 2.86Å; I45-V48 PolarHBondContact O-N 2.88Å; I45-T49 HydrophobicContact CG2-CG2 4.33Å; I45-T49 WeakPolarHBondContact O-CB 3.21Å; I45-T49 WeakPolarHBondContact O-CG2 3.04Å; I45-T49 PolarHBondContact O-N 3.47Å; I45-T49 PolarHBondContact O-OG1 3.47Å; I45-V148 HydrophobicContact CG1-CG1 4.41Å; I45-S152 WeakPolarHBondContact CG1-OG 3.41Å |
| 46 | Y | 98.5 | Very high | 97.9 | Very high | 125 Ų | 125 | 53.7 Ų | 53.7 | 49% | 0.49 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 177.5 | 174.2 | -113.4 | 0 | 0 | 0 | 112.2 | A42 Y44 S50 L51 | A42-Y46 WeakPolarHBondContact O-CB 3.28Å; A42-Y46 PolarHBondContact O-N 3.49Å; Y44-Y46 VanDerWaalsContact C-N 3.31Å; Y44-Y46 PolarHBondContact O-N 3.34Å; Y46-S50 WeakPolarHBondContact O-CB 3.41Å; Y46-S50 PolarHBondContact O-N 3.26Å; Y46-L51 HydrophobicContact CD1-CB 4.2Å; Y46-L51 HydrophobicContact CD1-CD2 4.45Å; Y46-L51 HydrophobicContact CE1-CB 3.71Å; Y46-L51 HydrophobicContact CE1-CD2 3.84Å; Y46-L51 HydrophobicContact CE1-CG 4.29Å; Y46-L51 PolarHBondContact O-N 2.86Å |
| 47 | F | 98.6 | Very high | 97.8 | Very high | 53 Ų | 53 | 58 Ų | 58 | 23% | 0.232 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -62.2 | -52.4 | 177.3 | 179.6 | -98.2 | 0 | 0 | 0 | 112.1 | A43 Y44 I45 T49 L51 G52 P53 I132 V135 | A43-F47 VanDerWaalsContact O-CB 3.29Å; A43-F47 WeakPolarHBondContact O-CB 3.31Å; A43-F47 PolarHBondContact O-N 3.27Å; Y44-F47 PolarHBondContact O-N 3.08Å; Y44-F47 VanDerWaalsContact O-N 3.15Å; I45-F47 VanDerWaalsContact C-N 3.33Å; I45-F47 PolarHBondContact O-N 2.86Å; F47-T49 PolarHBondContact O-N 3.36Å; F47-L51 HydrophobicContact CD2-CD2 4.39Å; F47-G52 WeakPolarHBondContact O-CA 3.45Å; F47-G52 PolarHBondContact O-N 3.41Å; F47-P53 WeakPolarHBondContact O-CD 3.36Å; F47-I132 HydrophobicContact CD1-CG1 4.16Å; F47-I132 HydrophobicContact CE1-CB 4.44Å; F47-I132 HydrophobicContact CE1-CG1 4.05Å; F47-I132 HydrophobicContact CE1-CG2 4.11Å; F47-V135 HydrophobicContact CE1-CG1 4.41Å |
| 48 | V | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -76.8 | -25.3 | -170.8 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | Y44 I45 P53 T131 I132 V135 V148 | Y44-V48 HydrophobicContact CD2-CG1 3.76Å; Y44-V48 HydrophobicContact CE1-CG2 4.28Å; Y44-V48 HydrophobicContact CE2-CG1 3.55Å; Y44-V48 HydrophobicContact CE2-CG2 4.28Å; Y44-V48 WeakPolarHBondContact O-CG2 3.44Å; Y44-V48 PolarHBondContact O-N 3.28Å; I45-V48 PolarHBondContact O-N 2.88Å; V48-P53 WeakPolarHBondContact O-CG 3.33Å; V48-T131 HydrophobicContact CB-CG2 3.82Å; V48-T131 HydrophobicContact CG1-CG2 3.86Å; V48-T131 HydrophobicContact CG2-CG2 4.06Å; V48-I132 HydrophobicContact CG1-CG1 4.34Å; V48-V135 HydrophobicContact CB-CG2 4.16Å; V48-V135 HydrophobicContact CG1-CG2 4.44Å; V48-V148 HydrophobicContact CG2-CG1 4.27Å; V48-V148 HydrophobicContact CG2-CG2 4.11Å |
| 49 | T | 97.1 | Very high | 97.7 | Very high | 80 Ų | 80 | 70 Ų | 70 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -97 | -23.7 | -178.5 | 63.6 | 0 | 0 | 0 | 0 | 113.8 | I45 F47 V148 | I45-T49 HydrophobicContact CG2-CG2 4.33Å; I45-T49 WeakPolarHBondContact O-CB 3.21Å; I45-T49 WeakPolarHBondContact O-CG2 3.04Å; I45-T49 PolarHBondContact O-N 3.47Å; I45-T49 PolarHBondContact O-OG1 3.47Å; F47-T49 PolarHBondContact O-N 3.36Å; T49-V148 HydrophobicContact CG2-CG1 4.3Å |
| 50 | S | 97.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 74.3 Ų | 74.3 | 19% | 0.189 | 37% | 0.369 | C | S | . | . | I | π-helix | trans | -133.2 | -69.6 | -172.3 | -163.4 | 0 | 0 | 0 | 0 | 113.2 | Y46 P53 R54 | Y46-S50 WeakPolarHBondContact O-CB 3.41Å; Y46-S50 PolarHBondContact O-N 3.26Å; S50-P53 WeakPolarHBondContact O-CD 3.35Å; S50-R54 VanDerWaalsContact O-CG 3.3Å; S50-R54 WeakPolarHBondContact O-CG 3.38Å; S50-R54 PolarHBondContact O-N 3.39Å |
| 51 | L | 98.2 | Very high | 97.5 | Very high | 61 Ų | 61 | 72.7 Ų | 72.7 | 32% | 0.319 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -64.2 | -50.7 | -169.5 | 176 | 64.1 | 0 | 0 | 0 | 112.2 | Y46 F47 R54 L55 | Y46-L51 HydrophobicContact CD1-CB 4.2Å; Y46-L51 HydrophobicContact CD1-CD2 4.45Å; Y46-L51 HydrophobicContact CE1-CB 3.71Å; Y46-L51 HydrophobicContact CE1-CD2 3.84Å; Y46-L51 HydrophobicContact CE1-CG 4.29Å; Y46-L51 PolarHBondContact O-N 2.86Å; F47-L51 HydrophobicContact CD2-CD2 4.39Å; L51-R54 PolarHBondContact O-N 3.15Å; L51-L55 HydrophobicContact CD1-CD1 3.87Å; L51-L55 HydrophobicContact CD1-CD2 4.39Å; L51-L55 HydrophobicContact CD1-CG 3.93Å; L51-L55 HydrophobicContact CD2-CD1 4.43Å; L51-L55 HydrophobicContact CG-CD1 3.8Å; L51-L55 HydrophobicContact CG-CG 4.26Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.04Å |
| 52 | G | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.6 | -51.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | F47 R54 L55 M56 V135 | F47-G52 WeakPolarHBondContact O-CA 3.45Å; F47-G52 PolarHBondContact O-N 3.41Å; G52-R54 VanDerWaalsContact C-N 3.32Å; G52-R54 PolarHBondContact O-N 2.86Å; G52-L55 PolarHBondContact O-N 3.4Å; G52-M56 WeakPolarHBondContact O-CB 3.33Å; G52-M56 VanDerWaalsContact O-CG 3.31Å; G52-M56 WeakPolarHBondContact O-CG 3.38Å; G52-M56 PolarHBondContact O-N 2.9Å; G52-V135 VanDerWaalsContact C-CG1 3.47Å |
| 53 | P | 97.1 | Very high | 97.2 | Very high | 36 Ų | 36 | 81.3 Ų | 81.3 | 23% | 0.234 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -55.3 | -41.9 | 173.7 | -29.1 | 36 | 0 | 0 | 0 | 113.9 | F47 V48 S50 M56 E57 V135 | F47-P53 WeakPolarHBondContact O-CD 3.36Å; V48-P53 WeakPolarHBondContact O-CG 3.33Å; S50-P53 WeakPolarHBondContact O-CD 3.35Å; P53-M56 PolarHBondContact O-N 3.41Å; P53-E57 PolarHBondContact O-N 2.89Å; P53-E57 VanDerWaalsContact O-N 3.12Å; P53-V135 HydrophobicContact CG-CG1 4.44Å |
| 54 | R | 97.3 | Very high | 97.1 | Very high | 168 Ų | 168 | 79.9 Ų | 79.9 | 63% | 0.634 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.6 | -44.8 | 176.2 | -71 | 174.5 | -174.9 | 178.1 | 2 | 112.1 | S50 L51 G52 M56 E57 | S50-R54 VanDerWaalsContact O-CG 3.3Å; S50-R54 WeakPolarHBondContact O-CG 3.38Å; S50-R54 PolarHBondContact O-N 3.39Å; L51-R54 PolarHBondContact O-N 3.15Å; G52-R54 VanDerWaalsContact C-N 3.32Å; G52-R54 PolarHBondContact O-N 2.86Å; R54-M56 PolarHBondContact O-N 3.04Å; R54-E57 WeakPolarHBondContact O-CB 3.46Å; R54-E57 PolarHBondContact O-N 2.64Å |
| 55 | L | 97.5 | Very high | 96.9 | Very high | 94 Ų | 94 | 84 Ų | 84 | 49% | 0.492 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -28.3 | 176.8 | -69.6 | 176.1 | 0 | 0 | 0 | 112.8 | L51 G52 R59 | L51-L55 HydrophobicContact CD1-CD1 3.87Å; L51-L55 HydrophobicContact CD1-CD2 4.39Å; L51-L55 HydrophobicContact CD1-CG 3.93Å; L51-L55 HydrophobicContact CD2-CD1 4.43Å; L51-L55 HydrophobicContact CG-CD1 3.8Å; L51-L55 HydrophobicContact CG-CG 4.26Å; L51-L55 VanDerWaalsContact O-CG 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.34Å; L51-L55 PolarHBondContact O-N 3.04Å; G52-L55 PolarHBondContact O-N 3.4Å; L55-R59 VanDerWaalsContact O-CD 3.26Å; L55-R59 WeakPolarHBondContact O-CD 3.42Å; L55-R59 PolarHBondContact O-NE 3.28Å |
| 56 | M | 97.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 83.2 Ų | 83.2 | 5% | 0.049 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -92.4 | -5.5 | -178.9 | -69.1 | -59.9 | -61.4 | 0 | 0 | 114.3 | G52 P53 R54 N58 R59 K60 F62 V135 L136 K138 | G52-M56 WeakPolarHBondContact O-CB 3.33Å; G52-M56 VanDerWaalsContact O-CG 3.31Å; G52-M56 WeakPolarHBondContact O-CG 3.38Å; G52-M56 PolarHBondContact O-N 2.9Å; P53-M56 PolarHBondContact O-N 3.41Å; R54-M56 PolarHBondContact O-N 3.04Å; M56-N58 PolarHBondContact O-N 2.89Å; M56-R59 HydrophobicContact CE-CB 4.19Å; M56-R59 PolarHBondContact O-N 3.31Å; M56-R59 HydrophobicContact SD-CB 4.28Å; M56-K60 WeakPolarHBondContact CE-O 3.45Å; M56-F62 HydrophobicContact CE-CD2 3.72Å; M56-F62 HydrophobicContact CE-CE2 3.78Å; M56-F62 HydrophobicContact SD-CD2 4.07Å; M56-F62 HydrophobicContact SD-CE2 3.57Å; M56-F62 VanDerWaalsContact SD-CE2 3.57Å; M56-V135 HydrophobicContact CG-CG1 4.38Å; M56-L136 WeakPolarHBondContact CE-O 3.34Å; M56-L136 HydrophobicContact SD-CD2 4.3Å; M56-K138 HydrophobicContact CB-CG 4.38Å; M56-K138 HydrophobicContact CE-CD 4.43Å; M56-K138 HydrophobicContact CE-CG 4.05Å; M56-K138 VanDerWaalsContact O-CE 3.22Å; M56-K138 WeakPolarHBondContact O-CE 3.45Å; M56-K138 PolarHBondContact O-NZ 2.95Å |
| 57 | E | 95.4 | Very high | 96.7 | Very high | 133 Ų | 133 | 80.9 Ų | 80.9 | 62% | 0.621 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -53.6 | -175.2 | -174.8 | 168.7 | -156.8 | 0 | 0 | 111.3 | P53 R54 R59 K138 | P53-E57 PolarHBondContact O-N 2.89Å; P53-E57 VanDerWaalsContact O-N 3.12Å; R54-E57 WeakPolarHBondContact O-CB 3.46Å; R54-E57 PolarHBondContact O-N 2.64Å; E57-R59 PolarHBondContact O-N 3.39Å; E57-K138 PolarHBondContact O-NZ 3.03Å |
| 58 | N | 96.6 | Very high | 96.6 | Very high | 156 Ų | 156 | 78.9 Ų | 78.9 | 83% | 0.834 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 14.8 | -179.1 | -63 | -44.3 | 0 | 0 | 0 | 113.8 | M56 | M56-N58 PolarHBondContact O-N 2.89Š|
| 59 | R | 95.9 | Very high | 96.6 | Very high | 152 Ų | 152 | 80.7 Ų | 80.7 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -111.6 | 152.9 | 177.5 | -61.2 | -178 | -173.7 | -101.1 | -1.4 | 111 | L55 M56 E57 K138 | L55-R59 VanDerWaalsContact O-CD 3.26Å; L55-R59 WeakPolarHBondContact O-CD 3.42Å; L55-R59 PolarHBondContact O-NE 3.28Å; M56-R59 HydrophobicContact CE-CB 4.19Å; M56-R59 PolarHBondContact O-N 3.31Å; M56-R59 HydrophobicContact SD-CB 4.28Å; E57-R59 PolarHBondContact O-N 3.39Å; R59-K138 VanDerWaalsContact O-CD 3.31Å; R59-K138 WeakPolarHBondContact O-CD 3.37Å; R59-K138 PolarHBondContact O-NZ 2.95Å |
| 60 | K | 96 | Very high | 96.6 | Very high | 194 Ų | 194 | 81.5 Ų | 81.5 | 84% | 0.843 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 147.3 | 165.2 | -66.2 | -177.4 | -179.7 | 178.4 | 0 | 108.8 | M56 | M56-K60 WeakPolarHBondContact CE-O 3.45Š|
| 61 | G | 96.2 | Very high | 96.7 | Very high | 37 Ų | 37 | 81.2 Ų | 81.2 | 38% | 0.381 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 138.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L136 | G61-L136 WeakPolarHBondContact CA-O 3.39Š|
| 62 | F | 95.9 | Very high | 96.7 | Very high | 100 Ų | 100 | 78.7 Ų | 78.7 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 139.3 | 179 | -70.4 | -85.7 | 0 | 0 | 0 | 111.1 | M56 L64 L136 | M56-F62 HydrophobicContact CE-CD2 3.72Å; M56-F62 HydrophobicContact CE-CE2 3.78Å; M56-F62 HydrophobicContact SD-CD2 4.07Å; M56-F62 HydrophobicContact SD-CE2 3.57Å; M56-F62 VanDerWaalsContact SD-CE2 3.57Å; F62-L64 HydrophobicContact CB-CD1 4.19Å; F62-L64 HydrophobicContact CB-CD2 3.94Å; F62-L64 HydrophobicContact CB-CG 3.77Å; F62-L64 PolarHBondContact O-N 3.13Å; F62-L136 HydrophobicContact CD2-CB 3.93Å; F62-L136 HydrophobicContact CD2-CD2 4.08Å; F62-L136 WeakPolarHBondContact CD2-O 3.26Å; F62-L136 HydrophobicContact CE2-CD2 3.98Å; F62-L136 PolarHBondContact N-O 2.93Å |
| 63 | D | 95.4 | Very high | 96.7 | Very high | 145 Ų | 145 | 82.3 Ų | 82.3 | 78% | 0.775 | 42% | 0.416 | S | S | * | . | trans | -82.5 | 98.1 | 166.8 | -172.7 | 4.7 | 0 | 0 | 0 | 109.6 | K65 | D63-K65 WeakPolarHBondContact OD1-CB 3.37Å; D63-K65 PolarHBondContact OD1-N 3.48Å; D63-K65 VanDerWaalsContact OD1-N 3.15Å | ||
| 64 | L | 95.6 | Very high | 96.8 | Very high | 28 Ų | 28 | 83.9 Ų | 83.9 | 15% | 0.147 | 43% | 0.427 | C | S | . | . | trans | -107.4 | 25 | -178.8 | -58.2 | 179 | 0 | 0 | 0 | 111.7 | F62 G66 V67 L68 F133 L136 R137 | F62-L64 HydrophobicContact CB-CD1 4.19Å; F62-L64 HydrophobicContact CB-CD2 3.94Å; F62-L64 HydrophobicContact CB-CG 3.77Å; F62-L64 PolarHBondContact O-N 3.13Å; L64-G66 PolarHBondContact O-N 3.36Å; L64-V67 HydrophobicContact CB-CB 4.37Å; L64-V67 HydrophobicContact CD2-CG2 4.5Å; L64-V67 PolarHBondContact O-N 3.49Å; L64-L68 HydrophobicContact CB-CG 4.37Å; L64-L68 WeakPolarHBondContact O-CB 3.36Å; L64-L68 VanDerWaalsContact O-CG 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 2.97Å; L64-F133 HydrophobicContact CD1-CD1 3.74Å; L64-F133 HydrophobicContact CD1-CE1 4.36Å; L64-L136 HydrophobicContact CD1-CB 4Å; L64-L136 HydrophobicContact CD1-CD1 4.21Å; L64-R137 HydrophobicContact CB-CG 4.5Å; L64-R137 HydrophobicContact CD1-CG 4.16Å; L64-R137 HydrophobicContact CG-CG 4.43Å | ||
| 65 | K | 94 | Very high | 96.9 | Very high | 97 Ų | 97 | 76 Ų | 76 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -53.5 | -54.6 | -175.2 | -175.2 | -175.8 | 179 | -176.1 | 0 | 112.7 | D63 L68 I69 A192 M193 | D63-K65 WeakPolarHBondContact OD1-CB 3.37Å; D63-K65 PolarHBondContact OD1-N 3.48Å; D63-K65 VanDerWaalsContact OD1-N 3.15Å; K65-L68 PolarHBondContact O-N 2.98Å; K65-I69 HydrophobicContact CG-CD1 4.13Å; K65-I69 WeakPolarHBondContact O-CG1 3.41Å; K65-I69 PolarHBondContact O-N 3.38Å; K65-I69 VanDerWaalsContact O-N 3.08Å; K65-A192 WeakPolarHBondContact CE-O 3.38Å; K65-A192 WeakPolarHBondContact CG-O 3.49Å; K65-M193 WeakPolarHBondContact CE-O 3.29Å; K65-M193 PolarHBondContact NZ-O 2.81Å |
| 66 | G | 95.6 | Very high | 96.9 | Very high | 50 Ų | 50 | 72.2 Ų | 72.2 | 52% | 0.515 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L64 L68 I69 V70 | L64-G66 PolarHBondContact O-N 3.36Å; G66-L68 VanDerWaalsContact C-N 3.35Å; G66-L68 PolarHBondContact O-N 3.32Å; G66-I69 PolarHBondContact O-N 3.23Å; G66-V70 WeakPolarHBondContact O-CG2 3.33Å; G66-V70 PolarHBondContact O-N 2.93Å; G66-V70 VanDerWaalsContact O-N 3.08Å |
| 67 | V | 97.6 | Very high | 97 | Very high | 75 Ų | 75 | 74.5 Ų | 74.5 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 111 | L64 I69 V70 Y71 F133 | L64-V67 HydrophobicContact CB-CB 4.37Å; L64-V67 HydrophobicContact CD2-CG2 4.5Å; L64-V67 PolarHBondContact O-N 3.49Å; V67-I69 PolarHBondContact O-N 3.42Å; V67-V70 PolarHBondContact O-N 3.3Å; V67-Y71 WeakPolarHBondContact O-CB 3.49Å; V67-Y71 PolarHBondContact O-N 2.77Å; V67-F133 HydrophobicContact CG1-CE1 3.89Å; V67-F133 HydrophobicContact CG1-CZ 3.95Å |
| 68 | L | 96.9 | Very high | 97.1 | Very high | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 178.7 | -75.2 | 174.7 | 0 | 0 | 0 | 112.4 | L64 K65 G66 N72 F133 A192 | L64-L68 HydrophobicContact CB-CG 4.37Å; L64-L68 WeakPolarHBondContact O-CB 3.36Å; L64-L68 VanDerWaalsContact O-CG 3.29Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 2.97Å; K65-L68 PolarHBondContact O-N 2.98Å; G66-L68 VanDerWaalsContact C-N 3.35Å; G66-L68 PolarHBondContact O-N 3.32Å; L68-N72 WeakPolarHBondContact O-CB 3.16Å; L68-N72 PolarHBondContact O-N 3.4Å; L68-N72 PolarHBondContact O-ND2 3.39Å; L68-F133 HydrophobicContact CD2-CB 3.87Å; L68-F133 HydrophobicContact CD2-CD1 4.34Å; L68-F133 HydrophobicContact CD2-CD2 3.5Å; L68-F133 VanDerWaalsContact CD2-CD2 3.5Å; L68-F133 HydrophobicContact CD2-CE2 4.08Å; L68-F133 HydrophobicContact CD2-CG 3.65Å; L68-A192 HydrophobicContact CB-CB 3.95Å |
| 69 | I | 97.3 | Very high | 97.2 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 20% | 0.2 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -53.5 | 177.6 | -68.9 | 166.5 | 0 | 0 | 0 | 109.4 | K65 G66 V67 Y71 N72 F73 A192 M193 | K65-I69 HydrophobicContact CG-CD1 4.13Å; K65-I69 WeakPolarHBondContact O-CG1 3.41Å; K65-I69 PolarHBondContact O-N 3.38Å; K65-I69 VanDerWaalsContact O-N 3.08Å; G66-I69 PolarHBondContact O-N 3.23Å; V67-I69 PolarHBondContact O-N 3.42Å; I69-Y71 PolarHBondContact O-N 2.94Å; I69-N72 PolarHBondContact O-N 2.98Å; I69-F73 HydrophobicContact CG2-CD2 3.85Å; I69-F73 HydrophobicContact CG2-CE2 3.97Å; I69-F73 VanDerWaalsContact O-CD2 3.23Å; I69-F73 WeakPolarHBondContact O-CD2 3.5Å; I69-F73 PolarHBondContact O-N 3.11Å; I69-F73 VanDerWaalsContact O-N 3.11Å; I69-A192 HydrophobicContact CG1-CB 3.91Å; I69-M193 HydrophobicContact CD1-CG 3.95Å; I69-M193 HydrophobicContact CG1-CG 4.16Å; I69-M193 HydrophobicContact CG2-CE 4.43Å |
| 70 | V | 98.3 | Very high | 97.4 | Very high | 97 Ų | 97 | 59.9 Ų | 59.9 | 59% | 0.588 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.9 | -48.1 | 179.7 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | G66 V67 F73 S74 | G66-V70 WeakPolarHBondContact O-CG2 3.33Å; G66-V70 PolarHBondContact O-N 2.93Å; G66-V70 VanDerWaalsContact O-N 3.08Å; V67-V70 PolarHBondContact O-N 3.3Å; V70-F73 PolarHBondContact O-N 3.15Å; V70-S74 VanDerWaalsContact O-CB 3.31Å; V70-S74 WeakPolarHBondContact O-CB 3.37Å; V70-S74 PolarHBondContact O-N 2.97Å; V70-S74 PolarHBondContact O-OG 3.43Å |
| 71 | Y | 98.4 | Very high | 97.5 | Very high | 21 Ų | 21 | 56.4 Ų | 56.4 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.6 | -52.8 | 179.1 | 166.8 | -95.8 | 0 | 0 | 0 | 112 | V67 I69 F73 S74 V75 I126 E127 L129 D130 F133 Y185 | V67-Y71 WeakPolarHBondContact O-CB 3.49Å; V67-Y71 PolarHBondContact O-N 2.77Å; I69-Y71 PolarHBondContact O-N 2.94Å; Y71-F73 PolarHBondContact O-N 3.02Å; Y71-S74 WeakPolarHBondContact O-CB 3.44Å; Y71-S74 PolarHBondContact O-N 3.05Å; Y71-S74 VanDerWaalsContact O-N 3.13Å; Y71-V75 HydrophobicContact CD2-CG2 4.25Å; Y71-V75 HydrophobicContact CE1-CG2 4.25Å; Y71-V75 HydrophobicContact CE2-CG2 3.84Å; Y71-V75 WeakPolarHBondContact O-CG2 3.12Å; Y71-V75 PolarHBondContact O-N 3.05Å; Y71-I126 HydrophobicContact CE2-CG2 4.12Å; Y71-I126 PolarHBondContact OH-O 3.21Å; Y71-E127 WeakPolarHBondContact OH-CA 3.41Å; Y71-L129 HydrophobicContact CD2-CD1 4.27Å; Y71-L129 HydrophobicContact CE2-CB 3.85Å; Y71-L129 HydrophobicContact CE2-CD1 3.92Å; Y71-D130 WeakPolarHBondContact CE1-OD1 3.46Å; Y71-D130 PolarHBondContact OH-OD1 3.33Å; Y71-F133 HydrophobicContact CD1-CD2 4.26Å; Y71-F133 AromaticContact CD1-CE2 3.67Å; Y71-F133 HydrophobicContact CD1-CE2 3.67Å; Y71-F133 AromaticContact CD2-CE2 3.84Å; Y71-F133 HydrophobicContact CD2-CE2 3.84Å; Y71-F133 HydrophobicContact CD2-CZ 4.35Å; Y71-F133 HydrophobicContact CE1-CD2 4.28Å; Y71-F133 AromaticContact CE1-CE2 3.91Å; Y71-F133 HydrophobicContact CE1-CE2 3.91Å; Y71-F133 HydrophobicContact CE2-CE2 4.06Å; Y71-F133 AromaticContact CG-CE2 3.62Å; Y71-F133 HydrophobicContact CG-CE2 3.62Å; Y71-F133 HydrophobicContact CG-CZ 4.24Å; Y71-Y185 HydrophobicContact CE1-CE1 4.1Å |
| 72 | N | 98.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | -177.3 | -76.9 | -70.4 | 0 | 0 | 0 | 111.4 | L68 I69 S74 V75 V76 Y185 Y188 | L68-N72 WeakPolarHBondContact O-CB 3.16Å; L68-N72 PolarHBondContact O-N 3.4Å; L68-N72 PolarHBondContact O-ND2 3.39Å; I69-N72 PolarHBondContact O-N 2.98Å; N72-S74 VanDerWaalsContact C-N 3.33Å; N72-S74 PolarHBondContact O-N 3.35Å; N72-V75 PolarHBondContact O-N 3.48Å; N72-V76 WeakPolarHBondContact O-CG2 3.36Å; N72-V76 PolarHBondContact O-N 3.44Å; N72-Y185 WeakPolarHBondContact OD1-CD1 3.44Å; N72-Y188 WeakPolarHBondContact OD1-CB 3.13Å |
| 73 | F | 98.4 | Very high | 97.8 | Very high | 77 Ų | 77 | 51 Ų | 51 | 34% | 0.338 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70 | -29.4 | 177.6 | -75.3 | -66.2 | 0 | 0 | 0 | 113.1 | I69 V70 Y71 V76 A77 M193 | I69-F73 HydrophobicContact CG2-CD2 3.85Å; I69-F73 HydrophobicContact CG2-CE2 3.97Å; I69-F73 VanDerWaalsContact O-CD2 3.23Å; I69-F73 WeakPolarHBondContact O-CD2 3.5Å; I69-F73 PolarHBondContact O-N 3.11Å; I69-F73 VanDerWaalsContact O-N 3.11Å; V70-F73 PolarHBondContact O-N 3.15Å; Y71-F73 PolarHBondContact O-N 3.02Å; F73-V76 WeakPolarHBondContact O-CB 3.38Å; F73-V76 PolarHBondContact O-N 3.09Å; F73-A77 PolarHBondContact O-N 3.36Å; F73-M193 HydrophobicContact CE2-CE 3.89Å; F73-M193 HydrophobicContact CZ-CE 4.26Å |
| 74 | S | 98.6 | Very high | 97.9 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66 | -41.1 | 171.6 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | V70 Y71 N72 A77 L78 | V70-S74 VanDerWaalsContact O-CB 3.31Å; V70-S74 WeakPolarHBondContact O-CB 3.37Å; V70-S74 PolarHBondContact O-N 2.97Å; V70-S74 PolarHBondContact O-OG 3.43Å; Y71-S74 WeakPolarHBondContact O-CB 3.44Å; Y71-S74 PolarHBondContact O-N 3.05Å; Y71-S74 VanDerWaalsContact O-N 3.13Å; N72-S74 VanDerWaalsContact C-N 3.33Å; N72-S74 PolarHBondContact O-N 3.35Å; S74-A77 PolarHBondContact O-N 2.92Å; S74-L78 WeakPolarHBondContact O-CB 3.39Å; S74-L78 PolarHBondContact O-N 3.2Å |
| 75 | V | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.6 | -34.3 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | Y71 N72 L78 S79 I126 Y185 | Y71-V75 HydrophobicContact CD2-CG2 4.25Å; Y71-V75 HydrophobicContact CE1-CG2 4.25Å; Y71-V75 HydrophobicContact CE2-CG2 3.84Å; Y71-V75 WeakPolarHBondContact O-CG2 3.12Å; Y71-V75 PolarHBondContact O-N 3.05Å; N72-V75 PolarHBondContact O-N 3.48Å; V75-L78 PolarHBondContact O-N 3.29Å; V75-S79 VanDerWaalsContact O-CB 3.26Å; V75-S79 WeakPolarHBondContact O-CB 3.39Å; V75-S79 PolarHBondContact O-N 2.6Å; V75-S79 PolarHBondContact O-OG 2.94Å; V75-I126 HydrophobicContact CG2-CG2 4.46Å; V75-Y185 HydrophobicContact CB-CD1 3.95Å; V75-Y185 HydrophobicContact CB-CD2 4.18Å; V75-Y185 HydrophobicContact CB-CE1 4.27Å; V75-Y185 HydrophobicContact CB-CE2 4.45Å; V75-Y185 HydrophobicContact CB-CG 3.93Å; V75-Y185 HydrophobicContact CG1-CD1 3.92Å; V75-Y185 HydrophobicContact CG1-CD2 3.36Å; V75-Y185 HydrophobicContact CG1-CE1 3.98Å; V75-Y185 HydrophobicContact CG1-CE2 3.41Å; V75-Y185 VanDerWaalsContact CG1-CE2 3.41Å; V75-Y185 HydrophobicContact CG1-CG 3.64Å; V75-Y185 HydrophobicContact CG2-CD1 4.47Å; V75-Y185 HydrophobicContact CG2-CE1 4.42Å |
| 76 | V | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 169.9 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | N72 F73 L78 S79 L80 V182 T186 | N72-V76 WeakPolarHBondContact O-CG2 3.36Å; N72-V76 PolarHBondContact O-N 3.44Å; F73-V76 WeakPolarHBondContact O-CB 3.38Å; F73-V76 PolarHBondContact O-N 3.09Å; V76-L78 PolarHBondContact O-N 3.3Å; V76-S79 PolarHBondContact O-N 3.16Å; V76-L80 HydrophobicContact CG1-CD1 4.18Å; V76-L80 PolarHBondContact O-N 3.24Å; V76-V182 HydrophobicContact CG1-CG1 4.25Å; V76-T186 WeakPolarHBondContact CG2-OG1 3.29Å |
| 77 | A | 98.8 | Very high | 98.5 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 47% | 0.471 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F73 S74 S79 L80 Y81 | F73-A77 PolarHBondContact O-N 3.36Å; S74-A77 PolarHBondContact O-N 2.92Å; A77-S79 VanDerWaalsContact C-N 3.33Å; A77-S79 PolarHBondContact O-N 2.95Å; A77-L80 PolarHBondContact O-N 3.38Å; A77-Y81 WeakPolarHBondContact O-CB 3.25Å; A77-Y81 PolarHBondContact O-N 3.4Å |
| 78 | L | 98.7 | Very high | 98.5 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 20% | 0.199 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 175.9 | -179.5 | 59.3 | 0 | 0 | 0 | 111.6 | S74 V75 V76 Y81 M82 L119 I126 | S74-L78 WeakPolarHBondContact O-CB 3.39Å; S74-L78 PolarHBondContact O-N 3.2Å; V75-L78 PolarHBondContact O-N 3.29Å; V76-L78 PolarHBondContact O-N 3.3Å; L78-Y81 PolarHBondContact O-N 3.49Å; L78-M82 HydrophobicContact CD1-CG 4.29Å; L78-M82 HydrophobicContact CD1-SD 4.37Å; L78-M82 HydrophobicContact CG-CE 4.02Å; L78-M82 HydrophobicContact CG-SD 4.28Å; L78-M82 VanDerWaalsContact O-CG 3.31Å; L78-M82 WeakPolarHBondContact O-CG 3.4Å; L78-M82 PolarHBondContact O-N 2.6Å; L78-L119 HydrophobicContact CD1-CD1 4.21Å; L78-L119 HydrophobicContact CD1-CD2 4.26Å; L78-L119 HydrophobicContact CD1-CG 4.32Å; L78-I126 HydrophobicContact CD2-CD1 3.95Å |
| 79 | S | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | 179.2 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | V75 V76 A77 C83 | V75-S79 VanDerWaalsContact O-CB 3.26Å; V75-S79 WeakPolarHBondContact O-CB 3.39Å; V75-S79 PolarHBondContact O-N 2.6Å; V75-S79 PolarHBondContact O-OG 2.94Å; V76-S79 PolarHBondContact O-N 3.16Å; A77-S79 VanDerWaalsContact C-N 3.33Å; A77-S79 PolarHBondContact O-N 2.95Å; S79-C83 VanDerWaalsContact O-CB 3.23Å; S79-C83 WeakPolarHBondContact O-CB 3.46Å; S79-C83 PolarHBondContact O-N 2.82Å |
| 80 | L | 98.8 | Very high | 98.6 | Very high | 97 Ų | 97 | 42.2 Ų | 42.2 | 51% | 0.508 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 171.2 | -79.7 | 170.7 | 0 | 0 | 0 | 111.2 | V76 A77 C83 Y84 V182 | V76-L80 HydrophobicContact CG1-CD1 4.18Å; V76-L80 PolarHBondContact O-N 3.24Å; A77-L80 PolarHBondContact O-N 3.38Å; L80-C83 PolarHBondContact O-N 3.29Å; L80-Y84 PolarHBondContact O-N 2.96Å; L80-V182 HydrophobicContact CB-CG2 4.42Å; L80-V182 HydrophobicContact CD2-CG1 4.05Å; L80-V182 HydrophobicContact CD2-CG2 3.8Å; L80-V182 HydrophobicContact CG-CG1 4.19Å; L80-V182 HydrophobicContact CG-CG2 3.66Å |
| 81 | Y | 98.8 | Very high | 98.6 | Very high | 120 Ų | 120 | 38 Ų | 38 | 47% | 0.471 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.7 | -51.1 | 177.2 | 177.5 | -102.6 | 0 | 0 | 0 | 111.5 | A77 L78 C83 Y84 E85 L119 | A77-Y81 WeakPolarHBondContact O-CB 3.25Å; A77-Y81 PolarHBondContact O-N 3.4Å; L78-Y81 PolarHBondContact O-N 3.49Å; Y81-C83 VanDerWaalsContact C-N 3.31Å; Y81-C83 PolarHBondContact O-N 3.12Å; Y81-Y84 WeakPolarHBondContact O-CB 3.46Å; Y81-Y84 PolarHBondContact O-N 3.26Å; Y81-E85 HydrophobicContact CD1-CG 4.14Å; Y81-E85 HydrophobicContact CD2-CG 4.35Å; Y81-E85 HydrophobicContact CE1-CG 3.69Å; Y81-E85 HydrophobicContact CE2-CG 3.93Å; Y81-E85 HydrophobicContact CG-CG 4.45Å; Y81-E85 WeakPolarHBondContact O-CG 3.29Å; Y81-E85 PolarHBondContact O-N 3.24Å; Y81-L119 HydrophobicContact CD1-CD2 3.71Å; Y81-L119 HydrophobicContact CE1-CD2 3.51Å |
| 82 | M | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -38.5 | 177.2 | -69.4 | -176.4 | -54.6 | 0 | 0 | 112.3 | L78 E85 F86 L119 Y120 | L78-M82 HydrophobicContact CD1-CG 4.29Å; L78-M82 HydrophobicContact CD1-SD 4.37Å; L78-M82 HydrophobicContact CG-CE 4.02Å; L78-M82 HydrophobicContact CG-SD 4.28Å; L78-M82 VanDerWaalsContact O-CG 3.31Å; L78-M82 WeakPolarHBondContact O-CG 3.4Å; L78-M82 PolarHBondContact O-N 2.6Å; M82-E85 PolarHBondContact O-N 3.43Å; M82-F86 WeakPolarHBondContact O-CB 3.47Å; M82-F86 WeakPolarHBondContact O-CD2 3.37Å; M82-F86 PolarHBondContact O-N 2.98Å; M82-L119 HydrophobicContact CG-CD2 3.83Å; M82-L119 HydrophobicContact CG-CG 4Å; M82-L119 HydrophobicContact SD-CG 4.05Å; M82-Y120 HydrophobicContact CE-CD2 4.35Å; M82-Y120 VanDerWaalsContact SD-CA 3.55Å; M82-Y120 HydrophobicContact SD-CD2 4.32Å |
| 83 | C | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -48.2 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | S79 L80 Y81 E85 F86 V87 C178 V179 | S79-C83 VanDerWaalsContact O-CB 3.23Å; S79-C83 WeakPolarHBondContact O-CB 3.46Å; S79-C83 PolarHBondContact O-N 2.82Å; L80-C83 PolarHBondContact O-N 3.29Å; Y81-C83 VanDerWaalsContact C-N 3.31Å; Y81-C83 PolarHBondContact O-N 3.12Å; C83-E85 VanDerWaalsContact C-N 3.34Å; C83-E85 PolarHBondContact O-N 3.31Å; C83-F86 PolarHBondContact O-N 3.19Å; C83-V87 VanDerWaalsContact O-CG2 3.27Å; C83-V87 WeakPolarHBondContact O-CG2 3.39Å; C83-V87 PolarHBondContact O-N 3.17Å; C83-C178 HydrophobicContact CB-CB 3.86Å; C83-V179 VanDerWaalsContact SG-CG2 3.59Å |
| 84 | Y | 98.8 | Very high | 98.3 | Very high | 126 Ų | 126 | 41.9 Ų | 41.9 | 49% | 0.494 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 175.7 | 168.8 | -96.4 | 0 | 0 | 0 | 111.4 | L80 Y81 V87 M88 R112 | L80-Y84 PolarHBondContact O-N 2.96Å; Y81-Y84 WeakPolarHBondContact O-CB 3.46Å; Y81-Y84 PolarHBondContact O-N 3.26Å; Y84-V87 PolarHBondContact O-N 3.21Å; Y84-M88 HydrophobicContact CD1-CG 4.46Å; Y84-M88 HydrophobicContact CD2-CE 4.23Å; Y84-M88 HydrophobicContact CD2-CG 3.97Å; Y84-M88 HydrophobicContact CE1-CG 4.11Å; Y84-M88 HydrophobicContact CE2-CE 3.8Å; Y84-M88 HydrophobicContact CE2-CG 3.57Å; Y84-M88 HydrophobicContact CE2-SD 4.24Å; Y84-M88 HydrophobicContact CG-CG 4.4Å; Y84-M88 WeakPolarHBondContact O-CB 3.4Å; Y84-M88 VanDerWaalsContact O-CG 3.27Å; Y84-M88 WeakPolarHBondContact O-CG 3.33Å; Y84-M88 PolarHBondContact O-N 2.89Å; Y84-R112 VanDerWaalsContact CE1-NH2 3.28Å |
| 85 | E | 98.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 178.6 | -72.8 | -59.5 | 117.1 | 0 | 0 | 112.1 | Y81 M82 C83 V87 M88 S89 R112 T116 | Y81-E85 HydrophobicContact CD1-CG 4.14Å; Y81-E85 HydrophobicContact CD2-CG 4.35Å; Y81-E85 HydrophobicContact CE1-CG 3.69Å; Y81-E85 HydrophobicContact CE2-CG 3.93Å; Y81-E85 HydrophobicContact CG-CG 4.45Å; Y81-E85 WeakPolarHBondContact O-CG 3.29Å; Y81-E85 PolarHBondContact O-N 3.24Å; M82-E85 PolarHBondContact O-N 3.43Å; C83-E85 VanDerWaalsContact C-N 3.34Å; C83-E85 PolarHBondContact O-N 3.31Å; E85-V87 PolarHBondContact O-N 2.67Å; E85-M88 PolarHBondContact O-N 3.11Å; E85-S89 WeakPolarHBondContact O-CB 3.23Å; E85-S89 PolarHBondContact O-N 3.26Å; E85-S89 PolarHBondContact O-OG 3.32Å; E85-R112 IonicContact OE1-CZ 2.99Å; E85-R112 IonicContact OE1-NE 3.24Å; E85-R112 IonicContact OE1-NH2 3.29Å; E85-R112 PolarHBondContact OE1-NH2 2.84Å; E85-R112 WeakPolarHBondContact OE2-CG 3.33Å; E85-R112 IonicContact OE2-CZ 2.75Å; E85-R112 IonicContact OE2-NE 3.59Å; E85-R112 PolarHBondContact OE2-NE 3.06Å; E85-R112 IonicContact OE2-NH2 3.83Å; E85-R112 PolarHBondContact OE2-NH2 3.28Å; E85-T116 HydrophobicContact CB-CG2 3.62Å; E85-T116 WeakPolarHBondContact CB-OG1 3.32Å |
| 86 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 175.1 | -82.3 | -57.5 | 0 | 0 | 0 | 112 | M82 C83 S89 G90 W91 M113 T116 Y120 T171 A174 L175 | M82-F86 WeakPolarHBondContact O-CB 3.47Å; M82-F86 WeakPolarHBondContact O-CD2 3.37Å; M82-F86 PolarHBondContact O-N 2.98Å; C83-F86 PolarHBondContact O-N 3.19Å; F86-S89 PolarHBondContact O-N 3.42Å; F86-G90 PolarHBondContact O-N 3.12Å; F86-W91 PolarHBondContact O-N 2.95Å; F86-M113 HydrophobicContact CD1-SD 3.87Å; F86-M113 HydrophobicContact CE1-SD 4.11Å; F86-T116 HydrophobicContact CB-CG2 4.48Å; F86-T116 HydrophobicContact CD1-CG2 3.63Å; F86-T116 HydrophobicContact CD2-CG2 3.77Å; F86-T116 HydrophobicContact CE1-CG2 3.64Å; F86-T116 HydrophobicContact CE2-CG2 3.79Å; F86-T116 HydrophobicContact CG-CG2 3.68Å; F86-T116 HydrophobicContact CZ-CG2 3.72Å; F86-Y120 AromaticContact CE2-CD2 3.95Å; F86-Y120 HydrophobicContact CE2-CD2 3.95Å; F86-Y120 HydrophobicContact CE2-CG 4.2Å; F86-Y120 HydrophobicContact CZ-CD2 4.41Å; F86-Y120 HydrophobicContact CZ-CG 4.22Å; F86-T171 HydrophobicContact CE1-CG2 4.43Å; F86-A174 HydrophobicContact CD2-CB 4.47Å; F86-A174 HydrophobicContact CE1-CB 4.19Å; F86-A174 HydrophobicContact CE2-CB 3.67Å; F86-A174 HydrophobicContact CZ-CB 3.51Å; F86-L175 HydrophobicContact CB-CB 4.23Å; F86-L175 HydrophobicContact CB-CD1 3.92Å; F86-L175 HydrophobicContact CG-CB 4.5Å |
| 87 | V | 98.8 | Very high | 98.1 | Very high | 45 Ų | 45 | 47 Ų | 47 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -58.6 | -50.1 | 175.1 | 172 | 0 | 0 | 0 | 0 | 110.1 | C83 Y84 E85 S89 G90 W91 G92 L175 | C83-V87 VanDerWaalsContact O-CG2 3.27Å; C83-V87 WeakPolarHBondContact O-CG2 3.39Å; C83-V87 PolarHBondContact O-N 3.17Å; Y84-V87 PolarHBondContact O-N 3.21Å; E85-V87 PolarHBondContact O-N 2.67Å; V87-S89 VanDerWaalsContact C-N 3.31Å; V87-S89 PolarHBondContact O-N 3.38Å; V87-G90 PolarHBondContact O-N 3.09Å; V87-W91 PolarHBondContact O-N 2.64Å; V87-G92 WeakPolarHBondContact O-CA 3.08Å; V87-G92 PolarHBondContact O-N 2.98Å; V87-L175 HydrophobicContact CG2-CD1 3.83Å |
| 88 | M | 98.6 | Very high | 97.9 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | I | π-helix | trans | -79.6 | -13.2 | -174.3 | -62.6 | -67.4 | 154.8 | 0 | 0 | 114.1 | Y84 E85 T93 R112 | Y84-M88 HydrophobicContact CD1-CG 4.46Å; Y84-M88 HydrophobicContact CD2-CE 4.23Å; Y84-M88 HydrophobicContact CD2-CG 3.97Å; Y84-M88 HydrophobicContact CE1-CG 4.11Å; Y84-M88 HydrophobicContact CE2-CE 3.8Å; Y84-M88 HydrophobicContact CE2-CG 3.57Å; Y84-M88 HydrophobicContact CE2-SD 4.24Å; Y84-M88 HydrophobicContact CG-CG 4.4Å; Y84-M88 WeakPolarHBondContact O-CB 3.4Å; Y84-M88 VanDerWaalsContact O-CG 3.27Å; Y84-M88 WeakPolarHBondContact O-CG 3.33Å; Y84-M88 PolarHBondContact O-N 2.89Å; E85-M88 PolarHBondContact O-N 3.11Å; M88-T93 HydrophobicContact SD-CG2 4.41Å; M88-R112 VanDerWaalsContact CB-NH1 3.28Å |
| 89 | S | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -88.1 | -11.7 | 177 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | E85 F86 V87 Q109 R112 M113 | E85-S89 WeakPolarHBondContact O-CB 3.23Å; E85-S89 PolarHBondContact O-N 3.26Å; E85-S89 PolarHBondContact O-OG 3.32Å; F86-S89 PolarHBondContact O-N 3.42Å; V87-S89 VanDerWaalsContact C-N 3.31Å; V87-S89 PolarHBondContact O-N 3.38Å; S89-Q109 WeakPolarHBondContact O-CG 3.08Å; S89-R112 WeakPolarHBondContact OG-CD 3.31Å; S89-R112 VanDerWaalsContact OG-CG 3.24Å; S89-R112 WeakPolarHBondContact OG-CG 3.42Å; S89-M113 PolarHBondContact OG-N 3.17Å |
| 90 | G | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | 176.4 | -48.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | F86 V87 G92 T93 G94 Y95 | F86-G90 PolarHBondContact O-N 3.12Å; V87-G90 PolarHBondContact O-N 3.09Å; G90-G92 VanDerWaalsContact C-N 3.27Å; G90-G92 PolarHBondContact O-N 3.34Å; G90-G92 VanDerWaalsContact O-N 3.15Å; G90-T93 WeakPolarHBondContact CA-OG1 3.42Å; G90-T93 PolarHBondContact N-OG1 3.1Å; G90-T93 PolarHBondContact O-N 3.42Å; G90-T93 PolarHBondContact O-OG1 3.34Å; G90-G94 PolarHBondContact O-N 2.7Å; G90-Y95 WeakPolarHBondContact O-CB 3.37Å; G90-Y95 PolarHBondContact O-N 3.46Å |
| 91 | W | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 3% | 0.03 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -62.9 | -25.6 | -168.9 | -70.1 | 107.2 | 0 | 0 | 0 | 115.4 | F86 V87 Y95 F97 T171 F172 L175 H221 | F86-W91 PolarHBondContact O-N 2.95Å; V87-W91 PolarHBondContact O-N 2.64Å; W91-Y95 AromaticContact CD2-CD2 3.75Å; W91-Y95 HydrophobicContact CD2-CD2 3.75Å; W91-Y95 AromaticContact CE2-CD2 3.71Å; W91-Y95 AromaticContact CE3-CD2 3.98Å; W91-Y95 HydrophobicContact CE3-CD2 3.98Å; W91-Y95 HydrophobicContact CG-CD2 4.23Å; W91-Y95 HydrophobicContact CH2-CD2 4.1Å; W91-Y95 AromaticContact CZ2-CD2 3.88Å; W91-Y95 HydrophobicContact CZ2-CD2 3.88Å; W91-Y95 HydrophobicContact CZ2-CE2 4.23Å; W91-Y95 HydrophobicContact CZ3-CD2 4.15Å; W91-F97 HydrophobicContact CD2-CE1 4.45Å; W91-F97 AromaticContact CE3-CD1 3.62Å; W91-F97 HydrophobicContact CE3-CD1 3.62Å; W91-F97 HydrophobicContact CE3-CD2 4.43Å; W91-F97 AromaticContact CE3-CE1 3.42Å; W91-F97 HydrophobicContact CE3-CE1 3.42Å; W91-F97 VanDerWaalsContact CE3-CE1 3.42Å; W91-F97 HydrophobicContact CE3-CE2 4.26Å; W91-F97 HydrophobicContact CE3-CG 4.14Å; W91-F97 AromaticContact CE3-CZ 3.77Å; W91-F97 HydrophobicContact CE3-CZ 3.77Å; W91-F97 HydrophobicContact CZ3-CB 4.44Å; W91-F97 AromaticContact CZ3-CD1 3.52Å; W91-F97 HydrophobicContact CZ3-CD1 3.52Å; W91-F97 AromaticContact CZ3-CE1 3.84Å; W91-F97 HydrophobicContact CZ3-CE1 3.84Å; W91-F97 AromaticContact CZ3-CG 3.93Å; W91-F97 HydrophobicContact CZ3-CG 3.93Å; W91-F97 HydrophobicContact CZ3-CZ 4.49Å; W91-F97 WeakPolarHBondContact O-CE2 3.24Å; W91-F97 WeakPolarHBondContact O-CZ 3.45Å; W91-T171 PolarHBondContact NE1-OG1 3.04Å; W91-F172 HydrophobicContact CE3-CD2 4.16Å; W91-F172 HydrophobicContact CH2-CB 3.52Å; W91-F172 AromaticContact CH2-CD2 3.83Å; W91-F172 HydrophobicContact CH2-CD2 3.83Å; W91-F172 HydrophobicContact CH2-CG 4.09Å; W91-F172 HydrophobicContact CZ2-CB 3.53Å; W91-F172 HydrophobicContact CZ2-CD2 4.24Å; W91-F172 HydrophobicContact CZ2-CG 4.39Å; W91-F172 VanDerWaalsContact CZ2-N 3.29Å; W91-F172 HydrophobicContact CZ3-CB 4.34Å; W91-F172 AromaticContact CZ3-CD2 3.77Å; W91-F172 HydrophobicContact CZ3-CD2 3.77Å; W91-F172 HydrophobicContact CZ3-CG 4.46Å; W91-L175 HydrophobicContact CB-CD2 3.7Å; W91-L175 HydrophobicContact CD2-CD2 4.02Å; W91-L175 HydrophobicContact CG-CD2 3.58Å; W91-H221 AromaticContact CH2-CE1 3.92Å; W91-H221 AromaticContact CH2-NE2 3.71Å |
| 92 | G | 97.8 | Very high | 97.6 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 2.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V87 G90 | V87-G92 WeakPolarHBondContact O-CA 3.08Å; V87-G92 PolarHBondContact O-N 2.98Å; G90-G92 VanDerWaalsContact C-N 3.27Å; G90-G92 PolarHBondContact O-N 3.34Å; G90-G92 VanDerWaalsContact O-N 3.15Å |
| 93 | T | 96.8 | Very high | 97.5 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 41% | 0.411 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | -0.6 | -167.9 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | M88 G90 Q109 | M88-T93 HydrophobicContact SD-CG2 4.41Å; G90-T93 WeakPolarHBondContact CA-OG1 3.42Å; G90-T93 PolarHBondContact N-OG1 3.1Å; G90-T93 PolarHBondContact O-N 3.42Å; G90-T93 PolarHBondContact O-OG1 3.34Å; T93-Q109 PolarHBondContact OG1-NE2 2.66Å |
| 94 | G | 93.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 48.7 Ų | 48.7 | 68% | 0.68 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 167.1 | -14.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | G90 | G90-G94 PolarHBondContact O-N 2.7Š|
| 95 | Y | 98.2 | Very high | 97.4 | Very high | 45 Ų | 45 | 45 Ų | 45 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | trans | -67.8 | 142.8 | 175.7 | -77.3 | 14.2 | 0 | 0 | 0 | 111 | G90 W91 D100 M113 G168 | G90-Y95 WeakPolarHBondContact O-CB 3.37Å; G90-Y95 PolarHBondContact O-N 3.46Å; W91-Y95 AromaticContact CD2-CD2 3.75Å; W91-Y95 HydrophobicContact CD2-CD2 3.75Å; W91-Y95 AromaticContact CE2-CD2 3.71Å; W91-Y95 AromaticContact CE3-CD2 3.98Å; W91-Y95 HydrophobicContact CE3-CD2 3.98Å; W91-Y95 HydrophobicContact CG-CD2 4.23Å; W91-Y95 HydrophobicContact CH2-CD2 4.1Å; W91-Y95 AromaticContact CZ2-CD2 3.88Å; W91-Y95 HydrophobicContact CZ2-CD2 3.88Å; W91-Y95 HydrophobicContact CZ2-CE2 4.23Å; W91-Y95 HydrophobicContact CZ3-CD2 4.15Å; Y95-D100 WeakPolarHBondContact CA-OD1 3.29Å; Y95-D100 HydrophobicContact CD1-CB 4.32Å; Y95-D100 HydrophobicContact CD2-CB 3.86Å; Y95-D100 HydrophobicContact CE2-CB 4.2Å; Y95-D100 HydrophobicContact CG-CB 3.93Å; Y95-M113 HydrophobicContact CE2-CE 3.86Å; Y95-G168 PolarHBondContact OH-N 3.44Å | ||
| 96 | S | 96.5 | Very high | 97.3 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 42% | 0.42 | 29% | 0.294 | S | S | . | . | trans | -89.7 | -9.4 | -174.3 | 63.8 | 0 | 0 | 0 | 0 | 113.9 | H98 D100 | S96-H98 PolarHBondContact O-N 3.01Å; S96-H98 PolarHBondContact O-ND1 3.06Å; S96-H98 PolarHBondContact OG-N 3.46Å; S96-D100 WeakPolarHBondContact CB-OD1 3.35Å; S96-D100 PolarHBondContact N-OD1 2.91Å; S96-D100 PolarHBondContact N-OD2 3.08Å; S96-D100 PolarHBondContact OG-OD1 3.3Å; S96-D100 PolarHBondContact OG-OD2 3.4Å | ||
| 97 | F | 96.4 | Very high | 97.3 | Very high | 88 Ų | 88 | 52 Ų | 52 | 39% | 0.386 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 58.9 | 28.5 | -168.3 | -60.9 | -100 | 0 | 0 | 0 | 112.8 | W91 D100 F172 | W91-F97 HydrophobicContact CD2-CE1 4.45Å; W91-F97 AromaticContact CE3-CD1 3.62Å; W91-F97 HydrophobicContact CE3-CD1 3.62Å; W91-F97 HydrophobicContact CE3-CD2 4.43Å; W91-F97 AromaticContact CE3-CE1 3.42Å; W91-F97 HydrophobicContact CE3-CE1 3.42Å; W91-F97 VanDerWaalsContact CE3-CE1 3.42Å; W91-F97 HydrophobicContact CE3-CE2 4.26Å; W91-F97 HydrophobicContact CE3-CG 4.14Å; W91-F97 AromaticContact CE3-CZ 3.77Å; W91-F97 HydrophobicContact CE3-CZ 3.77Å; W91-F97 HydrophobicContact CZ3-CB 4.44Å; W91-F97 AromaticContact CZ3-CD1 3.52Å; W91-F97 HydrophobicContact CZ3-CD1 3.52Å; W91-F97 AromaticContact CZ3-CE1 3.84Å; W91-F97 HydrophobicContact CZ3-CE1 3.84Å; W91-F97 AromaticContact CZ3-CG 3.93Å; W91-F97 HydrophobicContact CZ3-CG 3.93Å; W91-F97 HydrophobicContact CZ3-CZ 4.49Å; W91-F97 WeakPolarHBondContact O-CE2 3.24Å; W91-F97 WeakPolarHBondContact O-CZ 3.45Å; F97-D100 WeakPolarHBondContact CA-OD2 3.48Å; F97-D100 PolarHBondContact N-OD2 3.4Å; F97-F172 HydrophobicContact CD1-CD2 4.15Å; F97-F172 AromaticContact CD1-CE2 3.82Å; F97-F172 HydrophobicContact CD1-CE2 3.82Å; F97-F172 HydrophobicContact CE1-CD2 4.28Å; F97-F172 AromaticContact CE1-CE2 3.9Å; F97-F172 HydrophobicContact CE1-CE2 3.9Å |
| 98 | H | 94.7 | Very high | 97.3 | Very high | 103 Ų | 103 | 55.4 Ų | 55.4 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -134 | -115.4 | 178.6 | -70.2 | 79.1 | 0 | 0 | 0 | 109.4 | S96 D100 Q224 M228 | S96-H98 PolarHBondContact O-N 3.01Å; S96-H98 PolarHBondContact O-ND1 3.06Å; S96-H98 PolarHBondContact OG-N 3.46Å; H98-D100 VanDerWaalsContact C-N 3.29Å; H98-D100 PolarHBondContact N-OD2 3.46Å; H98-D100 PolarHBondContact O-N 3.4Å; H98-D100 VanDerWaalsContact O-N 3.1Å; H98-Q224 PolarHBondContact CD2-NE2 3.44Å; H98-Q224 VanDerWaalsContact CD2-NE2 3.31Å; H98-Q224 PolarHBondContact NE2-NE2 3.28Å; H98-M228 HydrophobicContact CB-CE 3.83Å |
| 99 | C | 96.1 | Very high | 97.2 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -86.4 | 71.4 | 178.7 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | M228 C231 | C99-M228 HydrophobicContact CB-SD 3.65Å; C99-C231 HydrophobicContact CB-CB 3.81Å; C99-C231 WeakPolarHBondContact CB-SG 3.47Å; C99-C231 WeakPolarHBondContact SG-CA 3.22Å; C99-C231 WeakPolarHBondContact SG-CB 3.44Å; C99-C231 CovalentContact SG-SG 2.03Å; C99-C231 PolarHBondContact SG-SG 3.05Å |
| 100 | D | 97.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 6% | 0.064 | 34% | 0.336 | C | S | . | . | trans | -86.9 | 114.8 | 175.3 | -60.6 | -50.3 | 0 | 0 | 0 | 109.4 | Y95 S96 F97 H98 G168 L169 | Y95-D100 WeakPolarHBondContact CA-OD1 3.29Å; Y95-D100 HydrophobicContact CD1-CB 4.32Å; Y95-D100 HydrophobicContact CD2-CB 3.86Å; Y95-D100 HydrophobicContact CE2-CB 4.2Å; Y95-D100 HydrophobicContact CG-CB 3.93Å; S96-D100 WeakPolarHBondContact CB-OD1 3.35Å; S96-D100 PolarHBondContact N-OD1 2.91Å; S96-D100 PolarHBondContact N-OD2 3.08Å; S96-D100 PolarHBondContact OG-OD1 3.3Å; S96-D100 PolarHBondContact OG-OD2 3.4Å; F97-D100 WeakPolarHBondContact CA-OD2 3.48Å; F97-D100 PolarHBondContact N-OD2 3.4Å; H98-D100 VanDerWaalsContact C-N 3.29Å; H98-D100 PolarHBondContact N-OD2 3.46Å; H98-D100 PolarHBondContact O-N 3.4Å; H98-D100 VanDerWaalsContact O-N 3.1Å; D100-G168 CarbonylContact O-C 3.5Å; D100-G168 VanDerWaalsContact O-CA 3.23Å; D100-G168 WeakPolarHBondContact O-CA 3.41Å; D100-L169 HydrophobicContact CB-CB 4.19Å; D100-L169 PolarHBondContact O-N 3.24Å | ||
| 101 | L | 97.7 | Very high | 97.3 | Very high | 65 Ų | 65 | 59.2 Ų | 59.2 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | trans | -82.9 | 161.1 | -178.1 | -54.2 | -178.7 | 0 | 0 | 0 | 111.3 | G168 P232 Y233 | L101-G168 WeakPolarHBondContact O-CA 3.42Å; L101-P232 HydrophobicContact CD1-CG 3.92Å; L101-P232 HydrophobicContact CD2-CG 4.15Å; L101-Y233 HydrophobicContact CD2-CD2 4.46Å | ||
| 102 | V | 97.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | trans | -73.7 | 130 | 167.9 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | Y104 A165 Y233 Q234 | V102-Y104 HydrophobicContact CB-CD2 4.31Å; V102-Y104 HydrophobicContact CB-CE1 4.32Å; V102-Y104 HydrophobicContact CB-CE2 3.62Å; V102-Y104 WeakPolarHBondContact CB-OH 3.43Å; V102-Y104 HydrophobicContact CG1-CD1 4.11Å; V102-Y104 HydrophobicContact CG1-CD2 4.24Å; V102-Y104 HydrophobicContact CG1-CE1 3.62Å; V102-Y104 HydrophobicContact CG1-CE2 3.79Å; V102-Y104 HydrophobicContact CG1-CG 4.38Å; V102-Y104 VanDerWaalsContact CG1-CZ 3.41Å; V102-A165 HydrophobicContact CG2-CB 3.93Å; V102-Y233 HydrophobicContact CG2-CE2 3.92Å; V102-Q234 PolarHBondContact O-NE2 3.31Å | ||
| 103 | D | 97.7 | Very high | 97.3 | Very high | 72 Ų | 72 | 60 Ų | 60 | 39% | 0.385 | 33% | 0.334 | S | S | . | . | trans | -90.8 | 113.1 | 168.4 | -175.8 | -7 | 0 | 0 | 0 | 109 | R24 S105 A110 | R24-D103 PolarHBondContact NH1-O 2.9Å; R24-D103 PolarHBondContact NH2-O 3.49Å; D103-S105 VanDerWaalsContact CG-OG 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.43Å; D103-S105 PolarHBondContact OD1-N 3.35Å; D103-S105 PolarHBondContact OD1-OG 3.36Å; D103-S105 PolarHBondContact OD2-OG 2.9Å; D103-A110 HydrophobicContact CB-CB 3.94Å | ||
| 104 | Y | 97.3 | Very high | 97.4 | Very high | 77 Ų | 77 | 56.8 Ų | 56.8 | 30% | 0.302 | 32% | 0.315 | S | S | . | . | trans | -92.3 | 3.8 | 179.6 | -65.9 | -76.5 | 0 | 0 | 0 | 113.9 | D22 V102 F164 Q234 F235 | D22-Y104 HydrophobicContact CB-CD1 4.44Å; D22-Y104 HydrophobicContact CB-CE1 4.33Å; D22-Y104 WeakPolarHBondContact OD2-CD1 3.31Å; V102-Y104 HydrophobicContact CB-CD2 4.31Å; V102-Y104 HydrophobicContact CB-CE1 4.32Å; V102-Y104 HydrophobicContact CB-CE2 3.62Å; V102-Y104 WeakPolarHBondContact CB-OH 3.43Å; V102-Y104 HydrophobicContact CG1-CD1 4.11Å; V102-Y104 HydrophobicContact CG1-CD2 4.24Å; V102-Y104 HydrophobicContact CG1-CE1 3.62Å; V102-Y104 HydrophobicContact CG1-CE2 3.79Å; V102-Y104 HydrophobicContact CG1-CG 4.38Å; V102-Y104 VanDerWaalsContact CG1-CZ 3.41Å; Y104-F164 WeakPolarHBondContact CE1-O 3.35Å; Y104-F164 PolarHBondContact OH-O 3.2Å; Y104-Q234 HydrophobicContact CE2-CB 4.27Å; Y104-Q234 HydrophobicContact CE2-CG 3.89Å; Y104-F235 WeakPolarHBondContact OH-CD2 3.21Å; Y104-F235 VanDerWaalsContact OH-CE2 3.24Å; Y104-F235 WeakPolarHBondContact OH-CE2 3.49Å | ||
| 105 | S | 97.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -69.7 | 163.1 | 175.9 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | R24 D103 S107 A110 | R24-S105 PolarHBondContact NH1-O 2.93Å; D103-S105 VanDerWaalsContact CG-OG 3.27Å; D103-S105 WeakPolarHBondContact OD1-CB 3.43Å; D103-S105 PolarHBondContact OD1-N 3.35Å; D103-S105 PolarHBondContact OD1-OG 3.36Å; D103-S105 PolarHBondContact OD2-OG 2.9Å; S105-S107 PolarHBondContact O-N 3.45Å; S105-S107 WeakPolarHBondContact OG-CB 3.48Å; S105-S107 PolarHBondContact OG-N 3.24Å; S105-S107 PolarHBondContact OG-OG 3.47Å; S105-A110 VanDerWaalsContact O-CB 3.29Å; S105-A110 WeakPolarHBondContact O-CB 3.38Å |
| 106 | D | 97.1 | Very high | 97.7 | Very high | 127 Ų | 127 | 53.7 Ų | 53.7 | 68% | 0.679 | 29% | 0.292 | S | S | * | . | trans | -84.6 | 21.8 | 170.5 | -62.9 | -45.6 | 0 | 0 | 0 | 112.4 | R24 | R24-D106 WeakPolarHBondContact CD-OD1 3.31Å; R24-D106 WeakPolarHBondContact CG-OD1 3.26Å | ||
| 107 | S | 97.9 | Very high | 97.8 | Very high | 38 Ų | 38 | 50.9 Ų | 50.9 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | trans | -62.7 | 149.2 | 177.4 | 79.4 | 0 | 0 | 0 | 0 | 110.5 | S105 Q109 A110 M111 | S105-S107 PolarHBondContact O-N 3.45Å; S105-S107 WeakPolarHBondContact OG-CB 3.48Å; S105-S107 PolarHBondContact OG-N 3.24Å; S105-S107 PolarHBondContact OG-OG 3.47Å; S107-Q109 PolarHBondContact O-N 2.86Å; S107-Q109 VanDerWaalsContact O-N 3.13Å; S107-A110 PolarHBondContact O-N 2.86Å; S107-A110 VanDerWaalsContact O-N 3.12Å; S107-A110 VanDerWaalsContact OG-CB 3.24Å; S107-A110 WeakPolarHBondContact OG-CB 3.24Å; S107-A110 PolarHBondContact OG-N 3.12Å; S107-M111 PolarHBondContact O-N 3.48Å | ||
| 108 | P | 98.2 | Very high | 97.9 | Very high | 117 Ų | 117 | 49.2 Ų | 49.2 | 76% | 0.76 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -54.8 | -36 | 179.8 | -28.4 | 35.4 | 0 | 0 | 0 | 113.4 | R112 | P108-R112 VanDerWaalsContact O-CB 3.23Å; P108-R112 WeakPolarHBondContact O-CB 3.44Å; P108-R112 PolarHBondContact O-N 3.48Å |
| 109 | Q | 98 | Very high | 98.1 | Very high | 90 Ų | 90 | 46 Ų | 46 | 42% | 0.421 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.2 | -43 | 178.7 | -172.6 | 172.9 | 39.2 | 0 | 0 | 112.2 | S89 T93 S107 R112 M113 | S89-Q109 WeakPolarHBondContact O-CG 3.08Å; T93-Q109 PolarHBondContact OG1-NE2 2.66Å; S107-Q109 PolarHBondContact O-N 2.86Å; S107-Q109 VanDerWaalsContact O-N 3.13Å; Q109-R112 WeakPolarHBondContact O-CB 3.5Å; Q109-R112 PolarHBondContact O-N 3.02Å; Q109-M113 PolarHBondContact O-N 2.8Å |
| 110 | A | 98.2 | Very high | 98.2 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D103 S105 S107 R112 M113 A114 | D103-A110 HydrophobicContact CB-CB 3.94Å; S105-A110 VanDerWaalsContact O-CB 3.29Å; S105-A110 WeakPolarHBondContact O-CB 3.38Å; S107-A110 PolarHBondContact O-N 2.86Å; S107-A110 VanDerWaalsContact O-N 3.12Å; S107-A110 VanDerWaalsContact OG-CB 3.24Å; S107-A110 WeakPolarHBondContact OG-CB 3.24Å; S107-A110 PolarHBondContact OG-N 3.12Å; A110-R112 VanDerWaalsContact C-N 3.31Å; A110-R112 PolarHBondContact O-N 3.16Å; A110-M113 PolarHBondContact O-N 3.38Å; A110-A114 PolarHBondContact O-N 3.41Å |
| 111 | M | 98.5 | Very high | 98.3 | Very high | 56 Ų | 56 | 43.7 Ų | 43.7 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63 | -37.2 | 174.8 | -72.1 | -57 | -64.2 | 0 | 0 | 112.3 | R24 W28 S107 A114 A115 | R24-M111 HydrophobicContact CB-CE 4.29Å; R24-M111 HydrophobicContact CB-SD 3.97Å; R24-M111 HydrophobicContact CG-SD 4.05Å; W28-M111 HydrophobicContact CZ2-CE 4Å; S107-M111 PolarHBondContact O-N 3.48Å; M111-A114 PolarHBondContact O-N 3.46Å; M111-A115 VanDerWaalsContact O-CB 3.29Å; M111-A115 WeakPolarHBondContact O-CB 3.31Å; M111-A115 PolarHBondContact O-N 2.84Å |
| 112 | R | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 43.5 Ų | 43.5 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 174.5 | -167.6 | -169.3 | -176.5 | 165.3 | 2.5 | 111.8 | Y84 E85 M88 S89 P108 Q109 A110 A114 A115 T116 | Y84-R112 VanDerWaalsContact CE1-NH2 3.28Å; E85-R112 IonicContact OE1-CZ 2.99Å; E85-R112 IonicContact OE1-NE 3.24Å; E85-R112 IonicContact OE1-NH2 3.29Å; E85-R112 PolarHBondContact OE1-NH2 2.84Å; E85-R112 WeakPolarHBondContact OE2-CG 3.33Å; E85-R112 IonicContact OE2-CZ 2.75Å; E85-R112 IonicContact OE2-NE 3.59Å; E85-R112 PolarHBondContact OE2-NE 3.06Å; E85-R112 IonicContact OE2-NH2 3.83Å; E85-R112 PolarHBondContact OE2-NH2 3.28Å; M88-R112 VanDerWaalsContact CB-NH1 3.28Å; S89-R112 WeakPolarHBondContact OG-CD 3.31Å; S89-R112 VanDerWaalsContact OG-CG 3.24Å; S89-R112 WeakPolarHBondContact OG-CG 3.42Å; P108-R112 VanDerWaalsContact O-CB 3.23Å; P108-R112 WeakPolarHBondContact O-CB 3.44Å; P108-R112 PolarHBondContact O-N 3.48Å; Q109-R112 WeakPolarHBondContact O-CB 3.5Å; Q109-R112 PolarHBondContact O-N 3.02Å; A110-R112 VanDerWaalsContact C-N 3.31Å; A110-R112 PolarHBondContact O-N 3.16Å; R112-A114 VanDerWaalsContact C-N 3.35Å; R112-A114 PolarHBondContact O-N 2.83Å; R112-A115 PolarHBondContact O-N 3.32Å; R112-T116 WeakPolarHBondContact O-CB 3.46Å; R112-T116 PolarHBondContact O-N 3.02Å; R112-T116 PolarHBondContact O-OG1 3.28Å |
| 113 | M | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -47.4 | 175.1 | -179 | 55.4 | 79.6 | 0 | 0 | 111 | F86 S89 Y95 Q109 A110 A115 T116 C117 T171 | F86-M113 HydrophobicContact CD1-SD 3.87Å; F86-M113 HydrophobicContact CE1-SD 4.11Å; S89-M113 PolarHBondContact OG-N 3.17Å; Y95-M113 HydrophobicContact CE2-CE 3.86Å; Q109-M113 PolarHBondContact O-N 2.8Å; A110-M113 PolarHBondContact O-N 3.38Å; M113-A115 PolarHBondContact O-N 2.84Å; M113-T116 WeakPolarHBondContact O-CB 3.35Å; M113-T116 PolarHBondContact O-N 3.18Å; M113-C117 PolarHBondContact O-N 3.16Å; M113-C117 PolarHBondContact O-SG 2.89Å; M113-T171 HydrophobicContact SD-CG2 4.2Å |
| 114 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W28 A110 M111 R112 T116 C117 W118 P166 | W28-A114 HydrophobicContact CH2-CB 3.81Å; W28-A114 HydrophobicContact CZ3-CB 4.27Å; W28-A114 WeakPolarHBondContact CZ3-O 3.32Å; A110-A114 PolarHBondContact O-N 3.41Å; M111-A114 PolarHBondContact O-N 3.46Å; R112-A114 VanDerWaalsContact C-N 3.35Å; R112-A114 PolarHBondContact O-N 2.83Å; A114-T116 VanDerWaalsContact C-N 3.27Å; A114-T116 PolarHBondContact O-N 2.82Å; A114-C117 WeakPolarHBondContact O-CB 3.36Å; A114-C117 PolarHBondContact O-N 2.95Å; A114-W118 PolarHBondContact O-N 3.32Å; A114-P166 HydrophobicContact CB-CB 3.89Å; A114-P166 HydrophobicContact CB-CG 4.06Å |
| 115 | A | 98.8 | Very high | 98.4 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 36% | 0.355 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.9 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | W28 M111 R112 M113 W118 L119 | W28-A115 HydrophobicContact CH2-CB 4.08Å; M111-A115 VanDerWaalsContact O-CB 3.29Å; M111-A115 WeakPolarHBondContact O-CB 3.31Å; M111-A115 PolarHBondContact O-N 2.84Å; R112-A115 PolarHBondContact O-N 3.32Å; M113-A115 PolarHBondContact O-N 2.84Å; A115-W118 PolarHBondContact O-N 2.96Å; A115-L119 WeakPolarHBondContact O-CB 3.39Å; A115-L119 PolarHBondContact O-N 3.05Å |
| 116 | T | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 175.5 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | E85 F86 R112 M113 A114 W118 L119 Y120 | E85-T116 HydrophobicContact CB-CG2 3.62Å; E85-T116 WeakPolarHBondContact CB-OG1 3.32Å; F86-T116 HydrophobicContact CB-CG2 4.48Å; F86-T116 HydrophobicContact CD1-CG2 3.63Å; F86-T116 HydrophobicContact CD2-CG2 3.77Å; F86-T116 HydrophobicContact CE1-CG2 3.64Å; F86-T116 HydrophobicContact CE2-CG2 3.79Å; F86-T116 HydrophobicContact CG-CG2 3.68Å; F86-T116 HydrophobicContact CZ-CG2 3.72Å; R112-T116 WeakPolarHBondContact O-CB 3.46Å; R112-T116 PolarHBondContact O-N 3.02Å; R112-T116 PolarHBondContact O-OG1 3.28Å; M113-T116 WeakPolarHBondContact O-CB 3.35Å; M113-T116 PolarHBondContact O-N 3.18Å; A114-T116 VanDerWaalsContact C-N 3.27Å; A114-T116 PolarHBondContact O-N 2.82Å; T116-W118 VanDerWaalsContact C-N 3.34Å; T116-W118 PolarHBondContact O-N 2.92Å; T116-L119 PolarHBondContact O-N 3.22Å; T116-Y120 WeakPolarHBondContact O-CB 3.5Å; T116-Y120 PolarHBondContact O-N 3.39Å |
| 117 | C | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 173.6 | -65.8 | 0 | 0 | 0 | 0 | 111.4 | M113 A114 Y120 Y121 W158 V162 P166 T171 | M113-C117 PolarHBondContact O-N 3.16Å; M113-C117 PolarHBondContact O-SG 2.89Å; A114-C117 WeakPolarHBondContact O-CB 3.36Å; A114-C117 PolarHBondContact O-N 2.95Å; C117-Y120 PolarHBondContact O-N 3.31Å; C117-Y121 WeakPolarHBondContact O-CB 3.35Å; C117-Y121 PolarHBondContact O-N 2.74Å; C117-W158 HydrophobicContact CB-CZ3 4.15Å; C117-V162 HydrophobicContact CB-CG2 4.11Å; C117-V162 WeakPolarHBondContact O-CG2 3.12Å; C117-P166 HydrophobicContact CB-CB 4.21Å; C117-T171 WeakPolarHBondContact SG-CG2 3.5Å |
| 118 | W | 98.8 | Very high | 98.5 | Very high | 54 Ų | 54 | 30.2 Ų | 30.2 | 21% | 0.205 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 175.1 | 175.2 | 85.2 | 0 | 0 | 0 | 112.3 | W28 L29 A114 A115 T116 Y120 Y121 F122 V162 | W28-W118 HydrophobicContact CD2-CG 4.37Å; W28-W118 HydrophobicContact CE3-CB 3.39Å; W28-W118 AromaticContact CE3-CD1 3.8Å; W28-W118 HydrophobicContact CE3-CD2 4.34Å; W28-W118 AromaticContact CE3-CG 3.53Å; W28-W118 HydrophobicContact CE3-CG 3.53Å; W28-W118 HydrophobicContact CZ3-CB 3.49Å; W28-W118 VanDerWaalsContact CZ3-CB 3.49Å; W28-W118 HydrophobicContact CZ3-CG 4.14Å; L29-W118 HydrophobicContact CB-CZ2 3.92Å; L29-W118 HydrophobicContact CD2-CZ2 4.47Å; L29-W118 PolarHBondContact O-NE1 3.39Å; A114-W118 PolarHBondContact O-N 3.32Å; A115-W118 PolarHBondContact O-N 2.96Å; T116-W118 VanDerWaalsContact C-N 3.34Å; T116-W118 PolarHBondContact O-N 2.92Å; W118-Y120 VanDerWaalsContact C-N 3.33Å; W118-Y120 PolarHBondContact O-N 3.12Å; W118-Y121 WeakPolarHBondContact O-CB 3.49Å; W118-Y121 PolarHBondContact O-N 3.19Å; W118-F122 HydrophobicContact CH2-CB 4.35Å; W118-F122 HydrophobicContact CH2-CG 4.26Å; W118-F122 HydrophobicContact CZ2-CB 4.19Å; W118-F122 HydrophobicContact CZ2-CD2 4.13Å; W118-F122 HydrophobicContact CZ2-CG 4.18Å; W118-F122 WeakPolarHBondContact O-CB 3.24Å; W118-F122 PolarHBondContact O-N 2.97Å; W118-V162 HydrophobicContact CB-CG1 3.94Å |
| 119 | L | 98.9 | Very high | 98.5 | Very high | 36 Ų | 36 | 27.8 Ų | 27.8 | 19% | 0.188 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.4 | -177.3 | 60.7 | 0 | 0 | 0 | 111.4 | L78 Y81 M82 A115 T116 F122 S123 | L78-L119 HydrophobicContact CD1-CD1 4.21Å; L78-L119 HydrophobicContact CD1-CD2 4.26Å; L78-L119 HydrophobicContact CD1-CG 4.32Å; Y81-L119 HydrophobicContact CD1-CD2 3.71Å; Y81-L119 HydrophobicContact CE1-CD2 3.51Å; M82-L119 HydrophobicContact CG-CD2 3.83Å; M82-L119 HydrophobicContact CG-CG 4Å; M82-L119 HydrophobicContact SD-CG 4.05Å; A115-L119 WeakPolarHBondContact O-CB 3.39Å; A115-L119 PolarHBondContact O-N 3.05Å; T116-L119 PolarHBondContact O-N 3.22Å; L119-F122 PolarHBondContact O-N 2.82Å; L119-S123 WeakPolarHBondContact O-CB 3.36Å; L119-S123 PolarHBondContact O-N 3.25Å |
| 120 | Y | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 174.1 | -179.2 | -84 | 0 | 0 | 0 | 112 | M82 F86 T116 C117 W118 S123 K124 W158 A174 N177 | M82-Y120 HydrophobicContact CE-CD2 4.35Å; M82-Y120 VanDerWaalsContact SD-CA 3.55Å; M82-Y120 HydrophobicContact SD-CD2 4.32Å; F86-Y120 AromaticContact CE2-CD2 3.95Å; F86-Y120 HydrophobicContact CE2-CD2 3.95Å; F86-Y120 HydrophobicContact CE2-CG 4.2Å; F86-Y120 HydrophobicContact CZ-CD2 4.41Å; F86-Y120 HydrophobicContact CZ-CG 4.22Å; T116-Y120 WeakPolarHBondContact O-CB 3.5Å; T116-Y120 PolarHBondContact O-N 3.39Å; C117-Y120 PolarHBondContact O-N 3.31Å; W118-Y120 VanDerWaalsContact C-N 3.33Å; W118-Y120 PolarHBondContact O-N 3.12Å; Y120-S123 WeakPolarHBondContact O-CB 3.29Å; Y120-S123 PolarHBondContact O-N 3.37Å; Y120-S123 PolarHBondContact O-OG 2.92Å; Y120-K124 HydrophobicContact CE1-CD 4.05Å; Y120-K124 HydrophobicContact CE1-CG 4.44Å; Y120-K124 WeakPolarHBondContact O-CE 3.1Å; Y120-K124 PolarHBondContact O-N 3.35Å; Y120-W158 AromaticContact CD1-CD2 3.57Å; Y120-W158 HydrophobicContact CD1-CD2 3.57Å; Y120-W158 AromaticContact CD1-CE2 3.42Å; Y120-W158 VanDerWaalsContact CD1-CE2 3.42Å; Y120-W158 AromaticContact CD1-CE3 3.73Å; Y120-W158 HydrophobicContact CD1-CE3 3.73Å; Y120-W158 HydrophobicContact CD1-CG 4.32Å; Y120-W158 AromaticContact CD1-CH2 3.6Å; Y120-W158 HydrophobicContact CD1-CH2 3.6Å; Y120-W158 AromaticContact CD1-CZ2 3.42Å; Y120-W158 HydrophobicContact CD1-CZ2 3.42Å; Y120-W158 VanDerWaalsContact CD1-CZ2 3.42Å; Y120-W158 AromaticContact CD1-CZ3 3.75Å; Y120-W158 HydrophobicContact CD1-CZ3 3.75Å; Y120-W158 AromaticContact CE1-CD2 3.72Å; Y120-W158 HydrophobicContact CE1-CD2 3.72Å; Y120-W158 AromaticContact CE1-CE2 3.15Å; Y120-W158 HydrophobicContact CE1-CE3 4.33Å; Y120-W158 HydrophobicContact CE1-CG 4.23Å; Y120-W158 AromaticContact CE1-CH2 3.98Å; Y120-W158 HydrophobicContact CE1-CH2 3.98Å; Y120-W158 AromaticContact CE1-CZ2 3.29Å; Y120-W158 HydrophobicContact CE1-CZ2 3.29Å; Y120-W158 HydrophobicContact CE1-CZ3 4.44Å; Y120-W158 AromaticContact CE1-NE1 3.39Å; Y120-W158 HydrophobicContact CG-CH2 4.27Å; Y120-W158 HydrophobicContact CG-CZ2 4.38Å; Y120-W158 HydrophobicContact CG-CZ3 4.45Å; Y120-A174 HydrophobicContact CD1-CB 4.27Å; Y120-A174 HydrophobicContact CD2-CB 4.03Å; Y120-A174 HydrophobicContact CE1-CB 4.25Å; Y120-A174 HydrophobicContact CE2-CB 3.94Å; Y120-A174 HydrophobicContact CG-CB 4.17Å; Y120-N177 HydrophobicContact CE2-CB 4.24Å; Y120-N177 WeakPolarHBondContact OH-CB 3.37Å; Y120-N177 VanDerWaalsContact OH-CG 3.29Å; Y120-N177 PolarHBondContact OH-OD1 3.14Å |
| 121 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56.5 | -49.6 | 171.7 | 160.3 | -108.7 | 0 | 0 | 0 | 111.4 | L30 M31 Q37 C117 W118 S123 K124 F125 P155 W158 W159 V162 | L30-Y121 HydrophobicContact CB-CE1 4.08Å; L30-Y121 HydrophobicContact CD1-CE1 4.46Å; M31-Y121 HydrophobicContact SD-CD1 4.31Å; M31-Y121 HydrophobicContact SD-CE1 4.07Å; Q37-Y121 WeakPolarHBondContact CB-OH 3.32Å; Q37-Y121 PolarHBondContact OE1-OH 3.3Å; C117-Y121 WeakPolarHBondContact O-CB 3.35Å; C117-Y121 PolarHBondContact O-N 2.74Å; W118-Y121 WeakPolarHBondContact O-CB 3.49Å; W118-Y121 PolarHBondContact O-N 3.19Å; Y121-S123 VanDerWaalsContact C-N 3.3Å; Y121-S123 PolarHBondContact O-N 3.11Å; Y121-K124 WeakPolarHBondContact O-CB 3.46Å; Y121-K124 PolarHBondContact O-N 3.36Å; Y121-K124 VanDerWaalsContact O-N 3.12Å; Y121-F125 HydrophobicContact CD1-CE2 4.46Å; Y121-F125 HydrophobicContact CD2-CE2 4.04Å; Y121-F125 AromaticContact CE1-CE2 3.89Å; Y121-F125 HydrophobicContact CE1-CE2 3.89Å; Y121-F125 AromaticContact CE2-CE2 3.43Å; Y121-F125 HydrophobicContact CE2-CE2 3.43Å; Y121-F125 VanDerWaalsContact CE2-CE2 3.43Å; Y121-F125 AromaticContact CE2-CZ 3.83Å; Y121-F125 HydrophobicContact CE2-CZ 3.83Å; Y121-F125 AromaticContact CZ-CE2 3.34Å; Y121-F125 AromaticContact CZ-CZ 3.74Å; Y121-F125 WeakPolarHBondContact OH-CE2 3.35Å; Y121-F125 WeakPolarHBondContact OH-CZ 3.36Å; Y121-P155 VanDerWaalsContact CE2-O 3.24Å; Y121-P155 WeakPolarHBondContact CE2-O 3.39Å; Y121-W158 HydrophobicContact CD2-CB 3.78Å; Y121-W158 HydrophobicContact CG-CB 4.47Å; Y121-W159 HydrophobicContact CD2-CB 4.41Å; Y121-W159 HydrophobicContact CE2-CB 3.73Å; Y121-W159 HydrophobicContact CE2-CG 4.49Å; Y121-W159 AromaticContact CZ-CD1 3.81Å; Y121-V162 HydrophobicContact CG-CG2 4.32Å |
| 122 | F | 98.6 | Very high | 98.4 | Very high | 60 Ų | 60 | 23.1 Ų | 23.1 | 26% | 0.263 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -63.9 | -36.5 | 179.7 | -169.5 | -102.9 | 0 | 0 | 0 | 112 | L29 W118 L119 K124 F125 I126 | L29-F122 HydrophobicContact CD2-CD2 4.35Å; L29-F122 HydrophobicContact CD2-CE2 3.68Å; L29-F122 HydrophobicContact CD2-CZ 4.25Å; W118-F122 HydrophobicContact CH2-CB 4.35Å; W118-F122 HydrophobicContact CH2-CG 4.26Å; W118-F122 HydrophobicContact CZ2-CB 4.19Å; W118-F122 HydrophobicContact CZ2-CD2 4.13Å; W118-F122 HydrophobicContact CZ2-CG 4.18Å; W118-F122 WeakPolarHBondContact O-CB 3.24Å; W118-F122 PolarHBondContact O-N 2.97Å; L119-F122 PolarHBondContact O-N 2.82Å; F122-K124 PolarHBondContact O-N 2.99Å; F122-F125 PolarHBondContact O-N 3.49Å; F122-I126 HydrophobicContact CD1-CD1 4.13Å; F122-I126 HydrophobicContact CD1-CG1 4.47Å; F122-I126 HydrophobicContact CE1-CD1 4.11Å; F122-I126 HydrophobicContact CE1-CG1 4.32Å; F122-I126 PolarHBondContact O-N 2.75Å |
| 123 | S | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58 | -31.9 | 175.9 | 106.8 | 0 | 0 | 0 | 0 | 111.9 | L119 Y120 Y121 F125 I126 E127 | L119-S123 WeakPolarHBondContact O-CB 3.36Å; L119-S123 PolarHBondContact O-N 3.25Å; Y120-S123 WeakPolarHBondContact O-CB 3.29Å; Y120-S123 PolarHBondContact O-N 3.37Å; Y120-S123 PolarHBondContact O-OG 2.92Å; Y121-S123 VanDerWaalsContact C-N 3.3Å; Y121-S123 PolarHBondContact O-N 3.11Å; S123-F125 PolarHBondContact O-N 3.43Å; S123-I126 WeakPolarHBondContact O-CB 3.2Å; S123-I126 PolarHBondContact O-N 2.93Å; S123-I126 VanDerWaalsContact O-N 3.09Å; S123-E127 VanDerWaalsContact O-CG 3.29Å; S123-E127 WeakPolarHBondContact O-CG 3.24Å; S123-E127 PolarHBondContact O-N 3.04Å; S123-E127 PolarHBondContact OG-OE1 3.32Å |
| 124 | K | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.009 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.6 | -32.3 | 178.2 | -58.9 | -51.4 | 96 | -175.1 | 0 | 112.1 | Y120 Y121 F122 E127 M128 M154 P155 N177 | Y120-K124 HydrophobicContact CE1-CD 4.05Å; Y120-K124 HydrophobicContact CE1-CG 4.44Å; Y120-K124 WeakPolarHBondContact O-CE 3.1Å; Y120-K124 PolarHBondContact O-N 3.35Å; Y121-K124 WeakPolarHBondContact O-CB 3.46Å; Y121-K124 PolarHBondContact O-N 3.36Å; Y121-K124 VanDerWaalsContact O-N 3.12Å; F122-K124 PolarHBondContact O-N 2.99Å; K124-E127 WeakPolarHBondContact CE-OE2 3.5Å; K124-E127 IonicContact NZ-OE1 2.72Å; K124-E127 PolarHBondContact NZ-OE1 3.37Å; K124-E127 IonicContact NZ-OE2 3.93Å; K124-E127 PolarHBondContact NZ-OE2 3.29Å; K124-E127 PolarHBondContact O-N 3.12Å; K124-M128 WeakPolarHBondContact O-CG 3.3Å; K124-M128 PolarHBondContact O-N 3.27Å; K124-M154 HydrophobicContact CD-CB 4.27Å; K124-M154 HydrophobicContact CG-CB 4.37Å; K124-P155 HydrophobicContact CB-CB 3.82Å; K124-P155 HydrophobicContact CB-CG 4.21Å; K124-N177 PolarHBondContact NZ-OD1 3.46Å |
| 125 | F | 98.3 | Very high | 98.3 | Very high | 26 Ų | 26 | 21.5 Ų | 21.5 | 11% | 0.114 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -72.2 | -35.9 | 173.6 | -63.3 | -86.7 | 0 | 0 | 0 | 112.6 | L30 Q37 I40 I41 Y121 F122 S123 E127 M128 P155 | L30-F125 HydrophobicContact CD1-CD2 4.36Å; L30-F125 HydrophobicContact CD1-CE2 4Å; L30-F125 HydrophobicContact CD1-CZ 4.11Å; Q37-F125 HydrophobicContact CB-CE1 4.25Å; Q37-F125 HydrophobicContact CB-CZ 3.82Å; I40-F125 HydrophobicContact CB-CE1 4.42Å; I40-F125 HydrophobicContact CG2-CD1 3.84Å; I40-F125 HydrophobicContact CG2-CE1 3.99Å; I41-F125 HydrophobicContact CD1-CE1 4.46Å; I41-F125 HydrophobicContact CG1-CE1 4.22Å; Y121-F125 HydrophobicContact CD1-CE2 4.46Å; Y121-F125 HydrophobicContact CD2-CE2 4.04Å; Y121-F125 AromaticContact CE1-CE2 3.89Å; Y121-F125 HydrophobicContact CE1-CE2 3.89Å; Y121-F125 AromaticContact CE2-CE2 3.43Å; Y121-F125 HydrophobicContact CE2-CE2 3.43Å; Y121-F125 VanDerWaalsContact CE2-CE2 3.43Å; Y121-F125 AromaticContact CE2-CZ 3.83Å; Y121-F125 HydrophobicContact CE2-CZ 3.83Å; Y121-F125 AromaticContact CZ-CE2 3.34Å; Y121-F125 AromaticContact CZ-CZ 3.74Å; Y121-F125 WeakPolarHBondContact OH-CE2 3.35Å; Y121-F125 WeakPolarHBondContact OH-CZ 3.36Å; F122-F125 PolarHBondContact O-N 3.49Å; S123-F125 PolarHBondContact O-N 3.43Å; F125-E127 VanDerWaalsContact C-N 3.28Å; F125-E127 PolarHBondContact O-N 3.32Å; F125-M128 HydrophobicContact CB-SD 4.36Å; F125-M128 HydrophobicContact CD1-SD 3.73Å; F125-M128 HydrophobicContact CE1-SD 4.43Å; F125-M128 HydrophobicContact CG-SD 4.32Å; F125-M128 WeakPolarHBondContact O-CB 3.31Å; F125-M128 PolarHBondContact O-N 2.77Å; F125-P155 HydrophobicContact CD2-CB 4.35Å; F125-P155 HydrophobicContact CE1-CB 4.07Å; F125-P155 HydrophobicContact CE2-CB 3.87Å; F125-P155 HydrophobicContact CZ-CB 3.71Å |
| 126 | I | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 21.5 Ų | 21.5 | 28% | 0.277 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 172.8 | -60.2 | 174.9 | 0 | 0 | 0 | 109.4 | Y71 V75 L78 F122 S123 M128 L129 | Y71-I126 HydrophobicContact CE2-CG2 4.12Å; Y71-I126 PolarHBondContact OH-O 3.21Å; V75-I126 HydrophobicContact CG2-CG2 4.46Å; L78-I126 HydrophobicContact CD2-CD1 3.95Å; F122-I126 HydrophobicContact CD1-CD1 4.13Å; F122-I126 HydrophobicContact CD1-CG1 4.47Å; F122-I126 HydrophobicContact CE1-CD1 4.11Å; F122-I126 HydrophobicContact CE1-CG1 4.32Å; F122-I126 PolarHBondContact O-N 2.75Å; S123-I126 WeakPolarHBondContact O-CB 3.2Å; S123-I126 PolarHBondContact O-N 2.93Å; S123-I126 VanDerWaalsContact O-N 3.09Å; I126-M128 PolarHBondContact O-N 3.03Å; I126-L129 WeakPolarHBondContact O-CB 3.49Å; I126-L129 VanDerWaalsContact O-CG 3.28Å; I126-L129 WeakPolarHBondContact O-CG 3.49Å; I126-L129 PolarHBondContact O-N 3.34Å |
| 127 | E | 98.1 | Very high | 98.1 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.4 | -21.1 | -179.5 | -66.8 | 170.9 | -171.6 | 0 | 0 | 113.5 | Y71 S123 K124 F125 L129 D130 H181 Y185 | Y71-E127 WeakPolarHBondContact OH-CA 3.41Å; S123-E127 VanDerWaalsContact O-CG 3.29Å; S123-E127 WeakPolarHBondContact O-CG 3.24Å; S123-E127 PolarHBondContact O-N 3.04Å; S123-E127 PolarHBondContact OG-OE1 3.32Å; K124-E127 WeakPolarHBondContact CE-OE2 3.5Å; K124-E127 IonicContact NZ-OE1 2.72Å; K124-E127 PolarHBondContact NZ-OE1 3.37Å; K124-E127 IonicContact NZ-OE2 3.93Å; K124-E127 PolarHBondContact NZ-OE2 3.29Å; K124-E127 PolarHBondContact O-N 3.12Å; F125-E127 VanDerWaalsContact C-N 3.28Å; F125-E127 PolarHBondContact O-N 3.32Å; E127-L129 PolarHBondContact O-N 3.02Å; E127-L129 VanDerWaalsContact O-N 3.12Å; E127-D130 VanDerWaalsContact O-CB 3.25Å; E127-D130 WeakPolarHBondContact O-CB 3.43Å; E127-D130 VanDerWaalsContact O-CG 3.25Å; E127-D130 PolarHBondContact O-N 2.97Å; E127-H181 IonicContact OE1-CE1 3.96Å; E127-H181 PolarHBondContact OE1-CE1 3.29Å; E127-H181 VanDerWaalsContact OE1-CE1 3.3Å; E127-H181 IonicContact OE1-ND1 2.99Å; E127-H181 PolarHBondContact OE1-ND1 3.29Å; E127-H181 IonicContact OE2-CE1 2.74Å; E127-H181 PolarHBondContact OE2-CE1 2.84Å; E127-H181 VanDerWaalsContact OE2-CE1 3.29Å; E127-H181 IonicContact OE2-ND1 3.3Å; E127-Y185 HydrophobicContact CG-CE2 4.49Å; E127-Y185 WeakPolarHBondContact CG-OH 3.05Å |
| 128 | M | 97.9 | Very high | 98 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 3% | 0.034 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18.2 | 172 | -67.9 | 163 | 72 | 0 | 0 | 112.4 | I41 Y44 K124 F125 I126 D130 T131 I132 H151 P155 | I41-M128 HydrophobicContact CG1-CE 4.32Å; Y44-M128 HydrophobicContact CD1-CE 3.4Å; Y44-M128 HydrophobicContact CD2-CB 3.92Å; Y44-M128 HydrophobicContact CD2-CE 3.59Å; Y44-M128 HydrophobicContact CD2-CG 4.37Å; Y44-M128 HydrophobicContact CE1-CE 4.12Å; Y44-M128 HydrophobicContact CE2-CB 3.78Å; Y44-M128 HydrophobicContact CE2-CE 4.26Å; Y44-M128 HydrophobicContact CE2-CG 4.22Å; Y44-M128 WeakPolarHBondContact CE2-O 3.5Å; Y44-M128 HydrophobicContact CG-CE 3.09Å; K124-M128 WeakPolarHBondContact O-CG 3.3Å; K124-M128 PolarHBondContact O-N 3.27Å; F125-M128 HydrophobicContact CB-SD 4.36Å; F125-M128 HydrophobicContact CD1-SD 3.73Å; F125-M128 HydrophobicContact CE1-SD 4.43Å; F125-M128 HydrophobicContact CG-SD 4.32Å; F125-M128 WeakPolarHBondContact O-CB 3.31Å; F125-M128 PolarHBondContact O-N 2.77Å; I126-M128 PolarHBondContact O-N 3.03Å; M128-D130 PolarHBondContact O-N 3.17Å; M128-T131 PolarHBondContact O-N 3.26Å; M128-I132 PolarHBondContact O-N 3.22Å; M128-H151 HydrophobicContact CG-CB 4.33Å; M128-P155 HydrophobicContact SD-CG 4.24Å |
| 129 | L | 98 | Very high | 97.7 | Very high | 66 Ų | 66 | 31.1 Ų | 31.1 | 35% | 0.346 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.8 | -24.9 | 171.2 | -67.2 | 171.2 | 0 | 0 | 0 | 112.5 | Y71 I126 E127 T131 I132 F133 | Y71-L129 HydrophobicContact CD2-CD1 4.27Å; Y71-L129 HydrophobicContact CE2-CB 3.85Å; Y71-L129 HydrophobicContact CE2-CD1 3.92Å; I126-L129 WeakPolarHBondContact O-CB 3.49Å; I126-L129 VanDerWaalsContact O-CG 3.28Å; I126-L129 WeakPolarHBondContact O-CG 3.49Å; I126-L129 PolarHBondContact O-N 3.34Å; E127-L129 PolarHBondContact O-N 3.02Å; E127-L129 VanDerWaalsContact O-N 3.12Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 3.32Å; L129-I132 HydrophobicContact CD2-CD1 4Å; L129-I132 PolarHBondContact O-N 3.44Å; L129-F133 HydrophobicContact CB-CD2 4.32Å; L129-F133 HydrophobicContact CB-CE2 3.8Å; L129-F133 HydrophobicContact CB-CZ 4.22Å; L129-F133 WeakPolarHBondContact O-CD2 3.34Å; L129-F133 VanDerWaalsContact O-CG 3.28Å; L129-F133 WeakPolarHBondContact O-CG 3.46Å; L129-F133 PolarHBondContact O-N 2.97Å |
| 130 | D | 97.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 5% | 0.048 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -52.3 | -51.6 | 175.8 | -72.5 | -15.1 | 0 | 0 | 0 | 111.3 | Y71 E127 M128 F133 F134 H151 Y185 | Y71-D130 WeakPolarHBondContact CE1-OD1 3.46Å; Y71-D130 PolarHBondContact OH-OD1 3.33Å; E127-D130 VanDerWaalsContact O-CB 3.25Å; E127-D130 WeakPolarHBondContact O-CB 3.43Å; E127-D130 VanDerWaalsContact O-CG 3.25Å; E127-D130 PolarHBondContact O-N 2.97Å; M128-D130 PolarHBondContact O-N 3.17Å; D130-F133 PolarHBondContact O-N 3.46Å; D130-F134 HydrophobicContact CB-CZ 4.5Å; D130-F134 WeakPolarHBondContact O-CD1 3.23Å; D130-F134 WeakPolarHBondContact O-CG 3.46Å; D130-F134 PolarHBondContact O-N 2.89Å; D130-H151 IonicContact OD2-CE1 3.63Å; D130-Y185 PolarHBondContact OD2-OH 3.49Å |
| 131 | T | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.9 | -35.3 | -178.4 | -33.2 | 0 | 0 | 0 | 0 | 111.6 | Y44 V48 M128 L129 F133 F134 V135 V143 H147 V148 | Y44-T131 VanDerWaalsContact OH-CB 3.31Å; Y44-T131 WeakPolarHBondContact OH-CB 3.35Å; Y44-T131 PolarHBondContact OH-OG1 3.34Å; V48-T131 HydrophobicContact CB-CG2 3.82Å; V48-T131 HydrophobicContact CG1-CG2 3.86Å; V48-T131 HydrophobicContact CG2-CG2 4.06Å; M128-T131 PolarHBondContact O-N 3.26Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-T131 PolarHBondContact O-N 3.32Å; T131-F133 VanDerWaalsContact C-N 3.32Å; T131-F133 PolarHBondContact O-N 3.07Å; T131-F134 HydrophobicContact CG2-CD2 4.48Å; T131-F134 WeakPolarHBondContact O-CB 3.46Å; T131-F134 PolarHBondContact O-N 3.13Å; T131-V135 WeakPolarHBondContact O-CG2 3.38Å; T131-V135 PolarHBondContact O-N 3.23Å; T131-V143 HydrophobicContact CG2-CG1 3.95Å; T131-V143 HydrophobicContact CG2-CG2 4.11Å; T131-H147 PolarHBondContact OG1-CD2 3.1Å; T131-H147 PolarHBondContact OG1-NE2 3.32Å; T131-H147 VanDerWaalsContact OG1-NE2 3.11Å; T131-V148 HydrophobicContact CG2-CG2 4.25Å |
| 132 | I | 98 | Very high | 96.6 | Very high | 44 Ų | 44 | 40.3 Ų | 40.3 | 23% | 0.226 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 173.5 | -67 | 169.6 | 0 | 0 | 0 | 109.5 | F47 V48 M128 L129 F134 V135 L136 | F47-I132 HydrophobicContact CD1-CG1 4.16Å; F47-I132 HydrophobicContact CE1-CB 4.44Å; F47-I132 HydrophobicContact CE1-CG1 4.05Å; F47-I132 HydrophobicContact CE1-CG2 4.11Å; V48-I132 HydrophobicContact CG1-CG1 4.34Å; M128-I132 PolarHBondContact O-N 3.22Å; L129-I132 HydrophobicContact CD2-CD1 4Å; L129-I132 PolarHBondContact O-N 3.44Å; I132-F134 VanDerWaalsContact C-N 3.32Å; I132-F134 PolarHBondContact O-N 3.45Å; I132-V135 PolarHBondContact O-N 3.46Å; I132-L136 HydrophobicContact CG2-CD1 3.87Å; I132-L136 HydrophobicContact CG2-CG 4.27Å; I132-L136 WeakPolarHBondContact O-CG 3.24Å; I132-L136 PolarHBondContact O-N 3.28Å |
| 133 | F | 98 | Very high | 96.4 | Very high | 20 Ų | 20 | 39 Ų | 39 | 9% | 0.088 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -35.4 | 175.1 | -63.4 | -45.5 | 0 | 0 | 0 | 112.7 | L64 V67 L68 Y71 L129 D130 T131 R137 | L64-F133 HydrophobicContact CD1-CD1 3.74Å; L64-F133 HydrophobicContact CD1-CE1 4.36Å; V67-F133 HydrophobicContact CG1-CE1 3.89Å; V67-F133 HydrophobicContact CG1-CZ 3.95Å; L68-F133 HydrophobicContact CD2-CB 3.87Å; L68-F133 HydrophobicContact CD2-CD1 4.34Å; L68-F133 HydrophobicContact CD2-CD2 3.5Å; L68-F133 VanDerWaalsContact CD2-CD2 3.5Å; L68-F133 HydrophobicContact CD2-CE2 4.08Å; L68-F133 HydrophobicContact CD2-CG 3.65Å; Y71-F133 HydrophobicContact CD1-CD2 4.26Å; Y71-F133 AromaticContact CD1-CE2 3.67Å; Y71-F133 HydrophobicContact CD1-CE2 3.67Å; Y71-F133 AromaticContact CD2-CE2 3.84Å; Y71-F133 HydrophobicContact CD2-CE2 3.84Å; Y71-F133 HydrophobicContact CD2-CZ 4.35Å; Y71-F133 HydrophobicContact CE1-CD2 4.28Å; Y71-F133 AromaticContact CE1-CE2 3.91Å; Y71-F133 HydrophobicContact CE1-CE2 3.91Å; Y71-F133 HydrophobicContact CE2-CE2 4.06Å; Y71-F133 AromaticContact CG-CE2 3.62Å; Y71-F133 HydrophobicContact CG-CE2 3.62Å; Y71-F133 HydrophobicContact CG-CZ 4.24Å; L129-F133 HydrophobicContact CB-CD2 4.32Å; L129-F133 HydrophobicContact CB-CE2 3.8Å; L129-F133 HydrophobicContact CB-CZ 4.22Å; L129-F133 WeakPolarHBondContact O-CD2 3.34Å; L129-F133 VanDerWaalsContact O-CG 3.28Å; L129-F133 WeakPolarHBondContact O-CG 3.46Å; L129-F133 PolarHBondContact O-N 2.97Å; D130-F133 PolarHBondContact O-N 3.46Å; T131-F133 VanDerWaalsContact C-N 3.32Å; T131-F133 PolarHBondContact O-N 3.07Å; F133-R137 VanDerWaalsContact O-CB 3.24Å; F133-R137 WeakPolarHBondContact O-CB 3.3Å; F133-R137 WeakPolarHBondContact O-CG 3.37Å; F133-R137 PolarHBondContact O-N 3.4Å |
| 134 | F | 97.2 | Very high | 96.2 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 10% | 0.101 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 173.7 | -60.8 | -21.1 | 0 | 0 | 0 | 111.7 | D130 T131 I132 R137 K138 K139 Q142 V143 H147 | D130-F134 HydrophobicContact CB-CZ 4.5Å; D130-F134 WeakPolarHBondContact O-CD1 3.23Å; D130-F134 WeakPolarHBondContact O-CG 3.46Å; D130-F134 PolarHBondContact O-N 2.89Å; T131-F134 HydrophobicContact CG2-CD2 4.48Å; T131-F134 WeakPolarHBondContact O-CB 3.46Å; T131-F134 PolarHBondContact O-N 3.13Å; I132-F134 VanDerWaalsContact C-N 3.32Å; I132-F134 PolarHBondContact O-N 3.45Å; F134-R137 PolarHBondContact O-N 3.3Å; F134-K138 PolarHBondContact O-N 3.5Å; F134-K139 HydrophobicContact CB-CB 4.38Å; F134-K139 PolarHBondContact O-N 3.16Å; F134-Q142 HydrophobicContact CB-CB 4.26Å; F134-Q142 HydrophobicContact CD1-CB 3.98Å; F134-Q142 HydrophobicContact CD1-CG 4.46Å; F134-Q142 HydrophobicContact CD2-CB 3.44Å; F134-Q142 VanDerWaalsContact CD2-CB 3.44Å; F134-Q142 HydrophobicContact CE1-CB 4.2Å; F134-Q142 HydrophobicContact CE2-CB 3.66Å; F134-Q142 HydrophobicContact CG-CB 3.63Å; F134-Q142 HydrophobicContact CZ-CB 4.05Å; F134-V143 HydrophobicContact CB-CG2 3.76Å; F134-V143 HydrophobicContact CD2-CG2 4.36Å; F134-H147 AromaticContact CE2-CD2 3.73Å; F134-H147 AromaticContact CE2-CE1 3.7Å; F134-H147 AromaticContact CE2-NE2 3.33Å; F134-H147 VanDerWaalsContact CE2-NE2 3.33Å; F134-H147 WeakPolarHBondContact CE2-NE2 3.15Å |
| 135 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -51.4 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | F47 V48 G52 P53 M56 T131 I132 R137 K138 V143 | F47-V135 HydrophobicContact CE1-CG1 4.41Å; V48-V135 HydrophobicContact CB-CG2 4.16Å; V48-V135 HydrophobicContact CG1-CG2 4.44Å; G52-V135 VanDerWaalsContact C-CG1 3.47Å; P53-V135 HydrophobicContact CG-CG1 4.44Å; M56-V135 HydrophobicContact CG-CG1 4.38Å; T131-V135 WeakPolarHBondContact O-CG2 3.38Å; T131-V135 PolarHBondContact O-N 3.23Å; I132-V135 PolarHBondContact O-N 3.46Å; V135-R137 PolarHBondContact O-N 3.02Å; V135-K138 PolarHBondContact O-N 2.82Å; V135-V143 HydrophobicContact CG2-CG2 4.13Å |
| 136 | L | 97.6 | Very high | 95.8 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -28.4 | -179.1 | -65.6 | 180 | 0 | 0 | 0 | 112.7 | M56 G61 F62 L64 I132 | M56-L136 WeakPolarHBondContact CE-O 3.34Å; M56-L136 HydrophobicContact SD-CD2 4.3Å; G61-L136 WeakPolarHBondContact CA-O 3.39Å; F62-L136 HydrophobicContact CD2-CB 3.93Å; F62-L136 HydrophobicContact CD2-CD2 4.08Å; F62-L136 WeakPolarHBondContact CD2-O 3.26Å; F62-L136 HydrophobicContact CE2-CD2 3.98Å; F62-L136 PolarHBondContact N-O 2.93Å; L64-L136 HydrophobicContact CD1-CB 4Å; L64-L136 HydrophobicContact CD1-CD1 4.21Å; I132-L136 HydrophobicContact CG2-CD1 3.87Å; I132-L136 HydrophobicContact CG2-CG 4.27Å; I132-L136 WeakPolarHBondContact O-CG 3.24Å; I132-L136 PolarHBondContact O-N 3.28Å |
| 137 | R | 96.5 | Very high | 95.7 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.4 | 176.2 | -64.2 | 177.7 | 68.3 | -149.4 | 4.6 | 113.9 | L64 F133 F134 V135 K139 | L64-R137 HydrophobicContact CB-CG 4.5Å; L64-R137 HydrophobicContact CD1-CG 4.16Å; L64-R137 HydrophobicContact CG-CG 4.43Å; F133-R137 VanDerWaalsContact O-CB 3.24Å; F133-R137 WeakPolarHBondContact O-CB 3.3Å; F133-R137 WeakPolarHBondContact O-CG 3.37Å; F133-R137 PolarHBondContact O-N 3.4Å; F134-R137 PolarHBondContact O-N 3.3Å; V135-R137 PolarHBondContact O-N 3.02Å; R137-K139 VanDerWaalsContact C-N 3.25Å; R137-K139 HydrophobicContact CB-CG 3.97Å; R137-K139 PolarHBondContact O-N 2.85Å |
| 138 | K | 95.6 | Very high | 95.6 | Very high | 83 Ų | 83 | 47.5 Ų | 47.5 | 36% | 0.361 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 40.5 | -174.6 | -57.1 | -174 | 76.5 | 159.7 | 0 | 112.9 | M56 E57 R59 F134 V135 N140 | M56-K138 HydrophobicContact CB-CG 4.38Å; M56-K138 HydrophobicContact CE-CD 4.43Å; M56-K138 HydrophobicContact CE-CG 4.05Å; M56-K138 VanDerWaalsContact O-CE 3.22Å; M56-K138 WeakPolarHBondContact O-CE 3.45Å; M56-K138 PolarHBondContact O-NZ 2.95Å; E57-K138 PolarHBondContact O-NZ 3.03Å; R59-K138 VanDerWaalsContact O-CD 3.31Å; R59-K138 WeakPolarHBondContact O-CD 3.37Å; R59-K138 PolarHBondContact O-NZ 2.95Å; F134-K138 PolarHBondContact O-N 3.5Å; V135-K138 PolarHBondContact O-N 2.82Å; K138-N140 PolarHBondContact O-N 3.44Å |
| 139 | K | 93.3 | Very high | 95.6 | Very high | 93 Ų | 93 | 50 Ų | 50 | 40% | 0.404 | 25% | 0.247 | S | C | . | . | trans | -98.1 | 52.4 | 175.2 | -59.4 | -57.7 | -179.7 | -168.8 | 0 | 111.1 | F134 R137 S141 Q142 | F134-K139 HydrophobicContact CB-CB 4.38Å; F134-K139 PolarHBondContact O-N 3.16Å; R137-K139 VanDerWaalsContact C-N 3.25Å; R137-K139 HydrophobicContact CB-CG 3.97Å; R137-K139 PolarHBondContact O-N 2.85Å; K139-S141 PolarHBondContact O-N 3.16Å; K139-Q142 HydrophobicContact CB-CG 4.12Å; K139-Q142 VanDerWaalsContact CB-OE1 3.24Å; K139-Q142 WeakPolarHBondContact O-CB 3.49Å; K139-Q142 PolarHBondContact O-N 3.42Å | ||
| 140 | N | 89.9 | Confident | 95.5 | Very high | 86 Ų | 86 | 48.2 Ų | 48.2 | 46% | 0.46 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -57.6 | -26.8 | -175 | -62 | -11.8 | 0 | 0 | 0 | 113.5 | K138 Q142 V143 | K138-N140 PolarHBondContact O-N 3.44Å; N140-Q142 PolarHBondContact O-N 3.01Å; N140-Q142 VanDerWaalsContact O-N 3.17Å; N140-V143 PolarHBondContact O-N 2.99Å |
| 141 | S | 90.6 | Very high | 95.6 | Very high | 87 Ų | 87 | 48.1 Ų | 48.1 | 61% | 0.608 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -66.9 | -10.4 | 173.2 | 64.1 | 0 | 0 | 0 | 0 | 114.6 | K139 R266 | K139-S141 PolarHBondContact O-N 3.16Å; S141-R266 PolarHBondContact O-NH1 3.27Å; S141-R266 PolarHBondContact O-NH2 3.34Å |
| 142 | Q | 92 | Very high | 95.6 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -92.5 | -21.3 | 171.2 | -57.5 | -169.5 | -99.1 | 0 | 0 | 112.4 | F134 K139 N140 T144 | F134-Q142 HydrophobicContact CB-CB 4.26Å; F134-Q142 HydrophobicContact CD1-CB 3.98Å; F134-Q142 HydrophobicContact CD1-CG 4.46Å; F134-Q142 HydrophobicContact CD2-CB 3.44Å; F134-Q142 VanDerWaalsContact CD2-CB 3.44Å; F134-Q142 HydrophobicContact CE1-CB 4.2Å; F134-Q142 HydrophobicContact CE2-CB 3.66Å; F134-Q142 HydrophobicContact CG-CB 3.63Å; F134-Q142 HydrophobicContact CZ-CB 4.05Å; K139-Q142 HydrophobicContact CB-CG 4.12Å; K139-Q142 VanDerWaalsContact CB-OE1 3.24Å; K139-Q142 WeakPolarHBondContact O-CB 3.49Å; K139-Q142 PolarHBondContact O-N 3.42Å; N140-Q142 PolarHBondContact O-N 3.01Å; N140-Q142 VanDerWaalsContact O-N 3.17Å; Q142-T144 PolarHBondContact O-N 3.39Å |
| 143 | V | 95.6 | Very high | 95.6 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | trans | -81 | 73.6 | 175.3 | -170.5 | 0 | 0 | 0 | 0 | 108.7 | T131 F134 V135 N140 V148 | T131-V143 HydrophobicContact CG2-CG1 3.95Å; T131-V143 HydrophobicContact CG2-CG2 4.11Å; F134-V143 HydrophobicContact CB-CG2 3.76Å; F134-V143 HydrophobicContact CD2-CG2 4.36Å; V135-V143 HydrophobicContact CG2-CG2 4.13Å; N140-V143 PolarHBondContact O-N 2.99Å; V143-V148 HydrophobicContact CG1-CG2 3.67Å | ||
| 144 | T | 95.2 | Very high | 95.5 | Very high | 47 Ų | 47 | 48 Ų | 48 | 29% | 0.288 | 24% | 0.236 | S | C | . | . | trans | -94.2 | 161.5 | -179.6 | 64.4 | 0 | 0 | 0 | 0 | 111.2 | Q142 L146 H147 V148 | Q142-T144 PolarHBondContact O-N 3.39Å; T144-L146 VanDerWaalsContact C-N 3.27Å; T144-L146 PolarHBondContact O-N 2.9Å; T144-H147 PolarHBondContact O-N 3.16Å; T144-H147 VanDerWaalsContact O-N 3.1Å; T144-H147 PolarHBondContact OG1-N 3.08Å; T144-V148 PolarHBondContact O-N 2.73Å | ||
| 145 | F | 95 | Very high | 95.5 | Very high | 144 Ų | 144 | 46.9 Ų | 46.9 | 63% | 0.632 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -51.4 | -48 | 170.9 | 174.4 | -98.1 | 0 | 0 | 0 | 111.6 | H147 V148 Y149 L252 | F145-H147 VanDerWaalsContact C-N 3.29Å; F145-H147 PolarHBondContact O-N 2.92Å; F145-V148 PolarHBondContact O-N 3.39Å; F145-Y149 HydrophobicContact CE1-CG 4.3Å; F145-Y149 HydrophobicContact CZ-CD2 4.09Å; F145-Y149 HydrophobicContact CZ-CG 4.08Å; F145-Y149 WeakPolarHBondContact O-CB 3.23Å; F145-Y149 PolarHBondContact O-N 3.05Å; F145-L252 HydrophobicContact CD1-CD2 4.23Å; F145-L252 HydrophobicContact CE1-CD1 4.42Å; F145-L252 HydrophobicContact CE1-CD2 4.11Å |
| 146 | L | 93.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -50.5 | -49.6 | 176.6 | 169.4 | 72.4 | 0 | 0 | 0 | 111.5 | T144 H150 L252 F253 F256 | T144-L146 VanDerWaalsContact C-N 3.27Å; T144-L146 PolarHBondContact O-N 2.9Å; L146-H150 WeakPolarHBondContact O-CB 3.43Å; L146-H150 PolarHBondContact O-N 3.42Å; L146-L252 HydrophobicContact CD1-CB 3.41Å; L146-L252 VanDerWaalsContact CD1-CB 3.41Å; L146-L252 HydrophobicContact CD1-CD1 3.97Å; L146-L252 HydrophobicContact CD1-CG 4.3Å; L146-F253 HydrophobicContact CD1-CD2 3.84Å; L146-F253 HydrophobicContact CD1-CE2 3.79Å; L146-F253 HydrophobicContact CD2-CD2 4.42Å; L146-F253 HydrophobicContact CD2-CE2 4.28Å; L146-F253 HydrophobicContact CG-CE2 4.49Å; L146-F256 HydrophobicContact CD2-CB 4.23Å |
| 147 | H | 95 | Very high | 95.5 | Very high | 28 Ų | 28 | 49.2 Ų | 49.2 | 13% | 0.13 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.5 | -48.1 | -174.2 | -166.4 | 78.3 | 0 | 0 | 0 | 111.6 | T131 F134 T144 F145 H150 H151 | T131-H147 PolarHBondContact OG1-CD2 3.1Å; T131-H147 PolarHBondContact OG1-NE2 3.32Å; T131-H147 VanDerWaalsContact OG1-NE2 3.11Å; F134-H147 AromaticContact CE2-CD2 3.73Å; F134-H147 AromaticContact CE2-CE1 3.7Å; F134-H147 AromaticContact CE2-NE2 3.33Å; F134-H147 VanDerWaalsContact CE2-NE2 3.33Å; F134-H147 WeakPolarHBondContact CE2-NE2 3.15Å; T144-H147 PolarHBondContact O-N 3.16Å; T144-H147 VanDerWaalsContact O-N 3.1Å; T144-H147 PolarHBondContact OG1-N 3.08Å; F145-H147 VanDerWaalsContact C-N 3.29Å; F145-H147 PolarHBondContact O-N 2.92Å; H147-H150 PolarHBondContact O-N 2.72Å; H147-H151 AromaticContact CD2-CD2 3.73Å; H147-H151 AromaticContact CE1-CD2 3.31Å; H147-H151 PolarHBondContact CE1-CD2 3.5Å; H147-H151 AromaticContact CE1-NE2 3.12Å; H147-H151 PolarHBondContact CE1-NE2 2.72Å; H147-H151 AromaticContact CG-CD2 3.86Å; H147-H151 AromaticContact ND1-CD2 3.6Å; H147-H151 AromaticContact ND1-NE2 3.61Å; H147-H151 AromaticContact NE2-CD2 3.43Å; H147-H151 PolarHBondContact NE2-CD2 3.17Å; H147-H151 AromaticContact NE2-NE2 3.64Å; H147-H151 PolarHBondContact O-CD2 2.85Å; H147-H151 VanDerWaalsContact O-CD2 3.24Å; H147-H151 PolarHBondContact O-N 3.34Å |
| 148 | V | 97.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 46 Ų | 46 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 179.5 | 179.8 | 0 | 0 | 0 | 0 | 111 | Y44 I45 V48 T49 T131 V143 T144 F145 S152 | Y44-V148 HydrophobicContact CE1-CG1 4.41Å; I45-V148 HydrophobicContact CG1-CG1 4.41Å; V48-V148 HydrophobicContact CG2-CG1 4.27Å; V48-V148 HydrophobicContact CG2-CG2 4.11Å; T49-V148 HydrophobicContact CG2-CG1 4.3Å; T131-V148 HydrophobicContact CG2-CG2 4.25Å; V143-V148 HydrophobicContact CG1-CG2 3.67Å; T144-V148 PolarHBondContact O-N 2.73Å; F145-V148 PolarHBondContact O-N 3.39Å; V148-S152 VanDerWaalsContact O-CB 3.29Å; V148-S152 WeakPolarHBondContact O-CB 3.45Å; V148-S152 PolarHBondContact O-N 3.3Å; V148-S152 PolarHBondContact O-OG 3.36Å |
| 149 | Y | 97.1 | Very high | 95.7 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 24% | 0.235 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.1 | -52.6 | 176.3 | 177 | -104.8 | 0 | 0 | 0 | 110.9 | F145 S152 I153 I248 F249 L252 | F145-Y149 HydrophobicContact CE1-CG 4.3Å; F145-Y149 HydrophobicContact CZ-CD2 4.09Å; F145-Y149 HydrophobicContact CZ-CG 4.08Å; F145-Y149 WeakPolarHBondContact O-CB 3.23Å; F145-Y149 PolarHBondContact O-N 3.05Å; Y149-S152 PolarHBondContact O-N 2.95Å; Y149-I153 HydrophobicContact CD1-CG2 4.36Å; Y149-I153 HydrophobicContact CE1-CG2 4.09Å; Y149-I153 HydrophobicContact CE2-CB 4.43Å; Y149-I153 WeakPolarHBondContact O-CB 3.41Å; Y149-I153 VanDerWaalsContact O-CG2 3.24Å; Y149-I153 WeakPolarHBondContact O-CG2 3.39Å; Y149-I153 PolarHBondContact O-N 3.36Å; Y149-I248 HydrophobicContact CE1-CG2 3.83Å; Y149-F249 AromaticContact CD1-CE1 3.93Å; Y149-F249 HydrophobicContact CD1-CE1 3.93Å; Y149-F249 HydrophobicContact CD1-CZ 4.47Å; Y149-F249 AromaticContact CE1-CE1 3.97Å; Y149-F249 HydrophobicContact CE1-CE1 3.97Å; Y149-F249 HydrophobicContact CE1-CZ 4.22Å; Y149-L252 HydrophobicContact CD1-CD1 4.03Å; Y149-L252 HydrophobicContact CE1-CD1 4.35Å |
| 150 | H | 96.7 | Very high | 95.9 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 13% | 0.125 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.4 | -55.6 | 177.2 | 175.2 | -92.5 | 0 | 0 | 0 | 112.2 | L146 H147 S152 I153 M154 F249 | L146-H150 WeakPolarHBondContact O-CB 3.43Å; L146-H150 PolarHBondContact O-N 3.42Å; H147-H150 PolarHBondContact O-N 2.72Å; H150-S152 PolarHBondContact O-N 2.85Å; H150-S152 VanDerWaalsContact O-N 3.13Å; H150-I153 PolarHBondContact O-N 2.9Å; H150-M154 VanDerWaalsContact O-CB 3.31Å; H150-M154 WeakPolarHBondContact O-CB 3.43Å; H150-M154 WeakPolarHBondContact O-CG 3.42Å; H150-M154 PolarHBondContact O-N 3.42Å; H150-F249 HydrophobicContact CB-CE1 3.82Å; H150-F249 HydrophobicContact CB-CZ 4.3Å; H150-F249 AromaticContact CD2-CE1 3.68Å; H150-F249 AromaticContact CD2-CZ 3.69Å |
| 151 | H | 97.6 | Very high | 96.3 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.6 | -9 | -177 | -74.2 | -75.7 | 0 | 0 | 0 | 114.4 | M128 D130 H147 P155 | M128-H151 HydrophobicContact CG-CB 4.33Å; D130-H151 IonicContact OD2-CE1 3.63Å; H147-H151 AromaticContact CD2-CD2 3.73Å; H147-H151 AromaticContact CE1-CD2 3.31Å; H147-H151 PolarHBondContact CE1-CD2 3.5Å; H147-H151 AromaticContact CE1-NE2 3.12Å; H147-H151 PolarHBondContact CE1-NE2 2.72Å; H147-H151 AromaticContact CG-CD2 3.86Å; H147-H151 AromaticContact ND1-CD2 3.6Å; H147-H151 AromaticContact ND1-NE2 3.61Å; H147-H151 AromaticContact NE2-CD2 3.43Å; H147-H151 PolarHBondContact NE2-CD2 3.17Å; H147-H151 AromaticContact NE2-NE2 3.64Å; H147-H151 PolarHBondContact O-CD2 2.85Å; H147-H151 VanDerWaalsContact O-CD2 3.24Å; H147-H151 PolarHBondContact O-N 3.34Å; H151-P155 WeakPolarHBondContact O-CD 3.29Å; H151-P155 VanDerWaalsContact O-CG 3.29Å; H151-P155 WeakPolarHBondContact O-CG 3.5Å |
| 152 | S | 97.7 | Very high | 96.6 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 8% | 0.084 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -95.5 | -45.8 | 173.1 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | I45 V148 Y149 H150 P155 F156 | I45-S152 WeakPolarHBondContact CG1-OG 3.41Å; V148-S152 VanDerWaalsContact O-CB 3.29Å; V148-S152 WeakPolarHBondContact O-CB 3.45Å; V148-S152 PolarHBondContact O-N 3.3Å; V148-S152 PolarHBondContact O-OG 3.36Å; Y149-S152 PolarHBondContact O-N 2.95Å; H150-S152 PolarHBondContact O-N 2.85Å; H150-S152 VanDerWaalsContact O-N 3.13Å; S152-P155 WeakPolarHBondContact O-CD 3.44Å; S152-F156 WeakPolarHBondContact O-CB 3.25Å; S152-F156 PolarHBondContact O-N 3.48Å |
| 153 | I | 97.6 | Very high | 96.9 | Very high | 31 Ų | 31 | 30 Ų | 30 | 16% | 0.159 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -77 | -32.9 | -173 | -160.2 | 61.1 | 0 | 0 | 0 | 112.4 | Y149 H150 F156 T157 Y245 F249 | Y149-I153 HydrophobicContact CD1-CG2 4.36Å; Y149-I153 HydrophobicContact CE1-CG2 4.09Å; Y149-I153 HydrophobicContact CE2-CB 4.43Å; Y149-I153 WeakPolarHBondContact O-CB 3.41Å; Y149-I153 VanDerWaalsContact O-CG2 3.24Å; Y149-I153 WeakPolarHBondContact O-CG2 3.39Å; Y149-I153 PolarHBondContact O-N 3.36Å; H150-I153 PolarHBondContact O-N 2.9Å; I153-F156 HydrophobicContact CD1-CD1 4.31Å; I153-F156 PolarHBondContact O-N 3.39Å; I153-T157 HydrophobicContact CD1-CG2 4.2Å; I153-T157 HydrophobicContact CG1-CG2 4.24Å; I153-T157 WeakPolarHBondContact O-CB 3.41Å; I153-T157 PolarHBondContact O-N 3.42Å; I153-T157 PolarHBondContact O-OG1 2.98Å; I153-Y245 WeakPolarHBondContact CD1-OH 3.48Å; I153-Y245 HydrophobicContact CG1-CE2 3.78Å; I153-Y245 WeakPolarHBondContact CG1-OH 3.35Å; I153-Y245 HydrophobicContact CG2-CE2 4.44Å; I153-F249 HydrophobicContact CG2-CZ 3.87Å |
| 154 | M | 97.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 28.8 Ų | 28.8 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.1 | -56.4 | 179.8 | -67.9 | -58.5 | -67.4 | 0 | 0 | 112.3 | K124 H150 F156 T157 W158 F249 | K124-M154 HydrophobicContact CD-CB 4.27Å; K124-M154 HydrophobicContact CG-CB 4.37Å; H150-M154 VanDerWaalsContact O-CB 3.31Å; H150-M154 WeakPolarHBondContact O-CB 3.43Å; H150-M154 WeakPolarHBondContact O-CG 3.42Å; H150-M154 PolarHBondContact O-N 3.42Å; M154-F156 VanDerWaalsContact C-N 3.34Å; M154-F156 PolarHBondContact O-N 2.98Å; M154-T157 PolarHBondContact O-OG1 3.5Å; M154-W158 VanDerWaalsContact O-CB 3.29Å; M154-W158 WeakPolarHBondContact O-CB 3.48Å; M154-W158 VanDerWaalsContact O-CD1 3.24Å; M154-W158 PolarHBondContact O-N 3.48Å; M154-F249 HydrophobicContact CG-CZ 4.43Å; M154-F249 HydrophobicContact SD-CE2 3.79Å; M154-F249 HydrophobicContact SD-CZ 4.03Å |
| 155 | P | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 176 | 20.8 | -29 | 0 | 0 | 0 | 111.6 | Q37 I41 Y121 K124 F125 M128 H151 S152 T157 W158 W159 | Q37-P155 PolarHBondContact OE1-O 3.19Å; I41-P155 HydrophobicContact CD1-CB 4.15Å; I41-P155 HydrophobicContact CD1-CG 3.94Å; I41-P155 HydrophobicContact CG1-CG 4.28Å; Y121-P155 VanDerWaalsContact CE2-O 3.24Å; Y121-P155 WeakPolarHBondContact CE2-O 3.39Å; K124-P155 HydrophobicContact CB-CB 3.82Å; K124-P155 HydrophobicContact CB-CG 4.21Å; F125-P155 HydrophobicContact CD2-CB 4.35Å; F125-P155 HydrophobicContact CE1-CB 4.07Å; F125-P155 HydrophobicContact CE2-CB 3.87Å; F125-P155 HydrophobicContact CZ-CB 3.71Å; M128-P155 HydrophobicContact SD-CG 4.24Å; H151-P155 WeakPolarHBondContact O-CD 3.29Å; H151-P155 VanDerWaalsContact O-CG 3.29Å; H151-P155 WeakPolarHBondContact O-CG 3.5Å; S152-P155 WeakPolarHBondContact O-CD 3.44Å; P155-T157 VanDerWaalsContact C-N 3.33Å; P155-T157 PolarHBondContact O-N 3.37Å; P155-W158 PolarHBondContact O-N 3.34Å; P155-W159 PolarHBondContact O-N 2.89Å |
| 156 | F | 97.9 | Very high | 97.2 | Very high | 71 Ų | 71 | 20.1 Ų | 20.1 | 31% | 0.311 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -54.5 | -48.4 | -178.2 | -176.9 | -99.8 | 0 | 0 | 0 | 112.7 | Q37 I41 S152 I153 M154 F160 | Q37-F156 PolarHBondContact NE2-O 3.4Å; I41-F156 HydrophobicContact CD1-CB 3.8Å; I41-F156 HydrophobicContact CD1-CD2 4.38Å; S152-F156 WeakPolarHBondContact O-CB 3.25Å; S152-F156 PolarHBondContact O-N 3.48Å; I153-F156 HydrophobicContact CD1-CD1 4.31Å; I153-F156 PolarHBondContact O-N 3.39Å; M154-F156 VanDerWaalsContact C-N 3.34Å; M154-F156 PolarHBondContact O-N 2.98Å; F156-F160 HydrophobicContact CD1-CE2 4.38Å; F156-F160 AromaticContact CE1-CE2 3.96Å; F156-F160 HydrophobicContact CE1-CE2 3.96Å; F156-F160 HydrophobicContact CZ-CE2 4.2Å; F156-F160 WeakPolarHBondContact O-CD2 3.22Å |
| 157 | T | 97.3 | Very high | 97.4 | Very high | 22 Ų | 22 | 18.9 Ų | 18.9 | 14% | 0.135 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -77.4 | -35.2 | -178.6 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | I153 M154 P155 W159 F160 G161 Y245 | I153-T157 HydrophobicContact CD1-CG2 4.2Å; I153-T157 HydrophobicContact CG1-CG2 4.24Å; I153-T157 WeakPolarHBondContact O-CB 3.41Å; I153-T157 PolarHBondContact O-N 3.42Å; I153-T157 PolarHBondContact O-OG1 2.98Å; M154-T157 PolarHBondContact O-OG1 3.5Å; P155-T157 VanDerWaalsContact C-N 3.33Å; P155-T157 PolarHBondContact O-N 3.37Å; T157-W159 PolarHBondContact O-N 2.91Å; T157-F160 PolarHBondContact O-N 2.69Å; T157-G161 PolarHBondContact O-N 3.37Å; T157-Y245 HydrophobicContact CG2-CE2 3.61Å; T157-Y245 WeakPolarHBondContact CG2-OH 3.45Å |
| 158 | W | 98.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 17.5 Ų | 17.5 | 6% | 0.064 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.6 | -29.1 | 178.5 | -97.7 | 83.6 | 0 | 0 | 0 | 113.5 | C117 Y120 Y121 M154 P155 F160 G161 V162 H173 A174 | C117-W158 HydrophobicContact CB-CZ3 4.15Å; Y120-W158 AromaticContact CD1-CD2 3.57Å; Y120-W158 HydrophobicContact CD1-CD2 3.57Å; Y120-W158 AromaticContact CD1-CE2 3.42Å; Y120-W158 VanDerWaalsContact CD1-CE2 3.42Å; Y120-W158 AromaticContact CD1-CE3 3.73Å; Y120-W158 HydrophobicContact CD1-CE3 3.73Å; Y120-W158 HydrophobicContact CD1-CG 4.32Å; Y120-W158 AromaticContact CD1-CH2 3.6Å; Y120-W158 HydrophobicContact CD1-CH2 3.6Å; Y120-W158 AromaticContact CD1-CZ2 3.42Å; Y120-W158 HydrophobicContact CD1-CZ2 3.42Å; Y120-W158 VanDerWaalsContact CD1-CZ2 3.42Å; Y120-W158 AromaticContact CD1-CZ3 3.75Å; Y120-W158 HydrophobicContact CD1-CZ3 3.75Å; Y120-W158 AromaticContact CE1-CD2 3.72Å; Y120-W158 HydrophobicContact CE1-CD2 3.72Å; Y120-W158 AromaticContact CE1-CE2 3.15Å; Y120-W158 HydrophobicContact CE1-CE3 4.33Å; Y120-W158 HydrophobicContact CE1-CG 4.23Å; Y120-W158 AromaticContact CE1-CH2 3.98Å; Y120-W158 HydrophobicContact CE1-CH2 3.98Å; Y120-W158 AromaticContact CE1-CZ2 3.29Å; Y120-W158 HydrophobicContact CE1-CZ2 3.29Å; Y120-W158 HydrophobicContact CE1-CZ3 4.44Å; Y120-W158 AromaticContact CE1-NE1 3.39Å; Y120-W158 HydrophobicContact CG-CH2 4.27Å; Y120-W158 HydrophobicContact CG-CZ2 4.38Å; Y120-W158 HydrophobicContact CG-CZ3 4.45Å; Y121-W158 HydrophobicContact CD2-CB 3.78Å; Y121-W158 HydrophobicContact CG-CB 4.47Å; M154-W158 VanDerWaalsContact O-CB 3.29Å; M154-W158 WeakPolarHBondContact O-CB 3.48Å; M154-W158 VanDerWaalsContact O-CD1 3.24Å; M154-W158 PolarHBondContact O-N 3.48Å; P155-W158 PolarHBondContact O-N 3.34Å; W158-F160 VanDerWaalsContact C-N 3.26Å; W158-F160 PolarHBondContact O-N 3.48Å; W158-G161 WeakPolarHBondContact O-CA 3.42Å; W158-G161 PolarHBondContact O-N 3.19Å; W158-V162 HydrophobicContact CE3-CG2 4.17Å; W158-V162 WeakPolarHBondContact O-CG2 3.45Å; W158-V162 PolarHBondContact O-N 2.9Å; W158-H173 AromaticContact CE2-CE1 3.54Å; W158-H173 AromaticContact CZ2-CE1 3.23Å; W158-H173 WeakPolarHBondContact CZ2-CE1 3.42Å; W158-H173 AromaticContact CZ2-ND1 3.97Å; W158-H173 AromaticContact CZ2-NE2 3.72Å; W158-H173 AromaticContact NE1-CE1 3.41Å; W158-H173 PolarHBondContact NE1-CE1 3.18Å; W158-A174 HydrophobicContact CH2-CB 3.41Å; W158-A174 VanDerWaalsContact CH2-CB 3.41Å; W158-A174 HydrophobicContact CZ2-CB 3.47Å; W158-A174 VanDerWaalsContact CZ2-CB 3.47Å |
| 159 | W | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55 | -43 | 172.4 | -176.1 | 90.9 | 0 | 0 | 0 | 112.5 | F17 I18 L30 S33 P34 Q37 Y121 P155 T157 V162 R163 F164 | F17-W159 HydrophobicContact CE1-CZ3 4.5Å; I18-W159 HydrophobicContact CD1-CH2 4.23Å; L30-W159 VanDerWaalsContact O-CD1 3.3Å; L30-W159 PolarHBondContact O-NE1 3.13Å; S33-W159 PolarHBondContact O-NE1 3.36Å; P34-W159 HydrophobicContact CB-CD2 4.06Å; P34-W159 HydrophobicContact CB-CE3 3.9Å; P34-W159 HydrophobicContact CB-CH2 4.07Å; P34-W159 HydrophobicContact CB-CZ2 4.2Å; P34-W159 HydrophobicContact CB-CZ3 3.91Å; P34-W159 HydrophobicContact CG-CH2 4.08Å; P34-W159 HydrophobicContact CG-CZ2 4.47Å; P34-W159 HydrophobicContact CG-CZ3 4.15Å; P34-W159 VanDerWaalsContact N-CZ2 3.33Å; Q37-W159 VanDerWaalsContact CD-CB 3.4Å; Q37-W159 HydrophobicContact CG-CG 4.42Å; Q37-W159 VanDerWaalsContact NE2-CG 3.32Å; Y121-W159 HydrophobicContact CD2-CB 4.41Å; Y121-W159 HydrophobicContact CE2-CB 3.73Å; Y121-W159 HydrophobicContact CE2-CG 4.49Å; Y121-W159 AromaticContact CZ-CD1 3.81Å; P155-W159 PolarHBondContact O-N 2.89Å; T157-W159 PolarHBondContact O-N 2.91Å; W159-V162 PolarHBondContact O-N 2.95Å; W159-R163 HydrophobicContact CD2-CB 4.47Å; W159-R163 HydrophobicContact CE3-CB 4.28Å; W159-R163 HydrophobicContact CH2-CB 4.21Å; W159-R163 HydrophobicContact CH2-CG 3.73Å; W159-R163 HydrophobicContact CZ2-CB 4.41Å; W159-R163 HydrophobicContact CZ2-CG 4.04Å; W159-R163 HydrophobicContact CZ3-CB 4.15Å; W159-R163 HydrophobicContact CZ3-CG 4.09Å; W159-R163 WeakPolarHBondContact O-CB 3.31Å; W159-R163 PolarHBondContact O-N 3.22Å; W159-F164 HydrophobicContact CZ3-CE2 4.39Å |
| 160 | F | 97.4 | Very high | 97.4 | Very high | 45 Ų | 45 | 14.5 Ų | 14.5 | 20% | 0.197 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | 176.2 | -60.8 | -79.3 | 0 | 0 | 0 | 111.4 | F17 F156 T157 W158 R163 F164 F238 | F17-F160 HydrophobicContact CE1-CD1 4.02Å; F17-F160 AromaticContact CE1-CE1 3.75Å; F17-F160 HydrophobicContact CE1-CE1 3.75Å; F17-F160 AromaticContact CZ-CD1 3.64Å; F17-F160 HydrophobicContact CZ-CD1 3.64Å; F17-F160 AromaticContact CZ-CE1 3.61Å; F17-F160 HydrophobicContact CZ-CE1 3.61Å; F156-F160 HydrophobicContact CD1-CE2 4.38Å; F156-F160 AromaticContact CE1-CE2 3.96Å; F156-F160 HydrophobicContact CE1-CE2 3.96Å; F156-F160 HydrophobicContact CZ-CE2 4.2Å; F156-F160 WeakPolarHBondContact O-CD2 3.22Å; T157-F160 PolarHBondContact O-N 2.69Å; W158-F160 VanDerWaalsContact C-N 3.26Å; W158-F160 PolarHBondContact O-N 3.48Å; F160-R163 PolarHBondContact O-N 3.5Å; F160-F164 HydrophobicContact CB-CD2 4.43Å; F160-F164 HydrophobicContact CD1-CD2 4.5Å; F160-F164 HydrophobicContact CD1-CE2 4.13Å; F160-F164 WeakPolarHBondContact O-CB 3.23Å; F160-F164 WeakPolarHBondContact O-CD2 3.47Å; F160-F164 PolarHBondContact O-N 2.9Å; F160-F238 HydrophobicContact CB-CE1 3.74Å; F160-F238 HydrophobicContact CB-CZ 3.96Å; F160-F238 VanDerWaalsContact O-CZ 3.31Å; F160-F238 WeakPolarHBondContact O-CZ 3.12Å |
| 161 | G | 97.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 13.4 Ų | 13.4 | 17% | 0.165 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.6 | -50.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | T157 W158 R163 A165 | T157-G161 PolarHBondContact O-N 3.37Å; W158-G161 WeakPolarHBondContact O-CA 3.42Å; W158-G161 PolarHBondContact O-N 3.19Å; G161-R163 PolarHBondContact O-N 3.16Å; G161-A165 CarbonylContact O-C 2.93Å; G161-A165 WeakPolarHBondContact O-CA 3.09Å; G161-A165 PolarHBondContact O-N 2.76Å |
| 162 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | T25 M31 C117 W118 Y121 W158 W159 F164 P166 | T25-V162 HydrophobicContact CG2-CG1 4.14Å; M31-V162 HydrophobicContact CE-CB 3.77Å; M31-V162 HydrophobicContact CE-CG1 3.61Å; M31-V162 HydrophobicContact SD-CB 4.18Å; M31-V162 HydrophobicContact SD-CG1 3.82Å; C117-V162 HydrophobicContact CB-CG2 4.11Å; C117-V162 WeakPolarHBondContact O-CG2 3.12Å; W118-V162 HydrophobicContact CB-CG1 3.94Å; Y121-V162 HydrophobicContact CG-CG2 4.32Å; W158-V162 HydrophobicContact CE3-CG2 4.17Å; W158-V162 WeakPolarHBondContact O-CG2 3.45Å; W158-V162 PolarHBondContact O-N 2.9Å; W159-V162 PolarHBondContact O-N 2.95Å; V162-F164 PolarHBondContact O-N 3.43Å; V162-P166 WeakPolarHBondContact O-CB 3.42Å |
| 163 | R | 96.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 14.6 Ų | 14.6 | 3% | 0.03 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -74.1 | -26.6 | -174.1 | -169.8 | 58.2 | -177.3 | 108.8 | -0.5 | 113.3 | I18 A21 D22 M31 W159 F160 G161 | I18-R163 HydrophobicContact CD1-CG 4.17Å; A21-R163 VanDerWaalsContact C-NH1 3.26Å; A21-R163 CarbonylContact C-O 3.52Å; A21-R163 WeakPolarHBondContact CA-O 3.43Å; A21-R163 HydrophobicContact CB-CG 3.89Å; D22-R163 PolarHBondContact N-O 3.04Å; D22-R163 PolarHBondContact O-NH1 3.25Å; M31-R163 HydrophobicContact CE-CB 3.62Å; M31-R163 HydrophobicContact CE-CG 4.31Å; W159-R163 HydrophobicContact CD2-CB 4.47Å; W159-R163 HydrophobicContact CE3-CB 4.28Å; W159-R163 HydrophobicContact CH2-CB 4.21Å; W159-R163 HydrophobicContact CH2-CG 3.73Å; W159-R163 HydrophobicContact CZ2-CB 4.41Å; W159-R163 HydrophobicContact CZ2-CG 4.04Å; W159-R163 HydrophobicContact CZ3-CB 4.15Å; W159-R163 HydrophobicContact CZ3-CG 4.09Å; W159-R163 WeakPolarHBondContact O-CB 3.31Å; W159-R163 PolarHBondContact O-N 3.22Å; F160-R163 PolarHBondContact O-N 3.5Å; G161-R163 PolarHBondContact O-N 3.16Å |
| 164 | F | 96.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 13.1 Ų | 13.1 | 4% | 0.039 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -121 | -39.1 | -174.4 | -68.3 | -86.4 | 0 | 0 | 0 | 113.8 | F17 I18 N20 A21 Y104 W159 F160 V162 F235 F238 | F17-F164 HydrophobicContact CD1-CE2 4.42Å; F17-F164 AromaticContact CD1-CZ 3.89Å; F17-F164 HydrophobicContact CD1-CZ 3.89Å; F17-F164 HydrophobicContact CD2-CZ 4.45Å; F17-F164 AromaticContact CE1-CE2 3.53Å; F17-F164 HydrophobicContact CE1-CE2 3.53Å; F17-F164 AromaticContact CE1-CZ 3.42Å; F17-F164 HydrophobicContact CE1-CZ 3.42Å; F17-F164 VanDerWaalsContact CE1-CZ 3.42Å; F17-F164 HydrophobicContact CE2-CE2 4.35Å; F17-F164 HydrophobicContact CE2-CZ 4.05Å; F17-F164 HydrophobicContact CG-CZ 4.38Å; F17-F164 AromaticContact CZ-CE2 3.49Å; F17-F164 HydrophobicContact CZ-CE2 3.49Å; F17-F164 VanDerWaalsContact CZ-CE2 3.49Å; F17-F164 AromaticContact CZ-CZ 3.52Å; F17-F164 HydrophobicContact CZ-CZ 3.52Å; F17-F164 VanDerWaalsContact O-CE1 3.31Å; F17-F164 WeakPolarHBondContact O-CE1 3.32Å; F17-F164 WeakPolarHBondContact O-CZ 3.46Å; I18-F164 HydrophobicContact CD1-CZ 4.49Å; N20-F164 HydrophobicContact CB-CD1 4.43Å; N20-F164 HydrophobicContact CB-CE1 4.31Å; N20-F164 WeakPolarHBondContact O-CD1 3.4Å; A21-F164 HydrophobicContact CB-CD1 4.08Å; A21-F164 HydrophobicContact CB-CE1 3.68Å; A21-F164 HydrophobicContact CB-CZ 3.96Å; Y104-F164 WeakPolarHBondContact CE1-O 3.35Å; Y104-F164 PolarHBondContact OH-O 3.2Å; W159-F164 HydrophobicContact CZ3-CE2 4.39Å; F160-F164 HydrophobicContact CB-CD2 4.43Å; F160-F164 HydrophobicContact CD1-CD2 4.5Å; F160-F164 HydrophobicContact CD1-CE2 4.13Å; F160-F164 WeakPolarHBondContact O-CB 3.23Å; F160-F164 WeakPolarHBondContact O-CD2 3.47Å; F160-F164 PolarHBondContact O-N 2.9Å; V162-F164 PolarHBondContact O-N 3.43Å; F164-F235 HydrophobicContact CB-CD1 4.39Å; F164-F235 HydrophobicContact CB-CD2 4.5Å; F164-F235 HydrophobicContact CB-CE1 4.11Å; F164-F235 HydrophobicContact CB-CE2 4.24Å; F164-F235 HydrophobicContact CB-CZ 4.03Å; F164-F235 AromaticContact CD1-CE1 3.95Å; F164-F235 HydrophobicContact CD1-CE1 3.95Å; F164-F235 HydrophobicContact CD1-CZ 4.06Å; F164-F235 HydrophobicContact CG-CE1 4.42Å; F164-F235 WeakPolarHBondContact O-CE2 3.12Å; F164-F238 HydrophobicContact CB-CE2 3.84Å; F164-F238 HydrophobicContact CB-CZ 3.97Å |
| 165 | A | 97.5 | Very high | 97.7 | Very high | 7 Ų | 7 | 13.1 Ų | 13.1 | 6% | 0.058 | 7% | 0.068 | C | C | . | . | trans | -136.6 | 61.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V102 G161 G167 F235 F238 | V102-A165 HydrophobicContact CG2-CB 3.93Å; G161-A165 CarbonylContact O-C 2.93Å; G161-A165 WeakPolarHBondContact O-CA 3.09Å; G161-A165 PolarHBondContact O-N 2.76Å; A165-G167 PolarHBondContact O-N 3.41Å; A165-F235 HydrophobicContact CB-CB 4.36Å; A165-F235 HydrophobicContact CB-CD2 3.93Å; A165-F235 HydrophobicContact CB-CG 4.43Å; A165-F238 HydrophobicContact CB-CD2 3.69Å; A165-F238 HydrophobicContact CB-CE2 3.66Å | ||
| 166 | P | 97.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.013 | 8% | 0.076 | C | C | . | . | trans | -78.6 | 59.9 | -174.9 | 34.5 | -37.6 | 0 | 0 | 0 | 112.5 | D22 T25 A114 C117 V162 | D22-P166 HydrophobicContact CB-CG 4.36Å; D22-P166 WeakPolarHBondContact OD2-CG 3.07Å; T25-P166 HydrophobicContact CG2-CG 4.39Å; A114-P166 HydrophobicContact CB-CB 3.89Å; A114-P166 HydrophobicContact CB-CG 4.06Å; C117-P166 HydrophobicContact CB-CB 4.21Å; V162-P166 WeakPolarHBondContact O-CB 3.42Å | ||
| 167 | G | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | S | Bend | trans | 168.4 | -167.9 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | A165 | A165-G167 PolarHBondContact O-N 3.41Š|
| 168 | G | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.058 | C | C | . | . | G | 310 helix | trans | 65.8 | -161.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y95 D100 L101 G170 T171 | Y95-G168 PolarHBondContact OH-N 3.44Å; D100-G168 CarbonylContact O-C 3.5Å; D100-G168 VanDerWaalsContact O-CA 3.23Å; D100-G168 WeakPolarHBondContact O-CA 3.41Å; L101-G168 WeakPolarHBondContact O-CA 3.42Å; G168-G170 PolarHBondContact O-N 3.45Å; G168-G170 VanDerWaalsContact O-N 3.11Å; G168-T171 PolarHBondContact O-N 3.34Å; G168-T171 PolarHBondContact O-OG1 3.39Å |
| 169 | L | 96.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 12.9 Ų | 12.9 | 2% | 0.021 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -62.2 | -21.6 | -173.3 | 73.3 | 86.6 | 0 | 0 | 0 | 113.1 | D100 T171 F172 H221 I222 Y233 I239 | D100-L169 HydrophobicContact CB-CB 4.19Å; D100-L169 PolarHBondContact O-N 3.24Å; L169-T171 PolarHBondContact O-N 3.29Å; L169-F172 PolarHBondContact O-N 3.36Å; L169-H221 PolarHBondContact O-CE1 3.06Å; L169-I222 HydrophobicContact CD1-CD1 3.62Å; L169-Y233 HydrophobicContact CD2-CD2 3.86Å; L169-Y233 HydrophobicContact CD2-CE2 4.4Å; L169-Y233 HydrophobicContact CD2-CG 4.19Å; L169-Y233 HydrophobicContact CG-CD2 3.93Å; L169-Y233 HydrophobicContact CG-CE2 3.96Å; L169-Y233 HydrophobicContact CG-CG 4.49Å; L169-I239 HydrophobicContact CD1-CD1 3.28Å; L169-I239 HydrophobicContact CG-CD1 4.33Å |
| 170 | G | 96.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 13.3 Ų | 13.3 | 8% | 0.082 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -63 | -20.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G168 H173 | G168-G170 PolarHBondContact O-N 3.45Å; G168-G170 VanDerWaalsContact O-N 3.11Å; G170-H173 PolarHBondContact O-CD2 3.27Å; G170-H173 PolarHBondContact O-NE2 3.28Å; G170-H173 VanDerWaalsContact O-NE2 3.13Å |
| 171 | T | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 11.4 Ų | 11.4 | 2% | 0.018 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -89.8 | -5.8 | -177.1 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | F86 W91 M113 C117 G168 L169 H173 A174 L175 | F86-T171 HydrophobicContact CE1-CG2 4.43Å; W91-T171 PolarHBondContact NE1-OG1 3.04Å; M113-T171 HydrophobicContact SD-CG2 4.2Å; C117-T171 WeakPolarHBondContact SG-CG2 3.5Å; G168-T171 PolarHBondContact O-N 3.34Å; G168-T171 PolarHBondContact O-OG1 3.39Å; L169-T171 PolarHBondContact O-N 3.29Å; T171-H173 VanDerWaalsContact C-N 3.27Å; T171-H173 PolarHBondContact O-N 3.44Å; T171-A174 WeakPolarHBondContact O-CA 3.09Å; T171-A174 WeakPolarHBondContact O-CB 3.13Å; T171-A174 PolarHBondContact O-N 3.1Å; T171-L175 PolarHBondContact O-N 3.11Å |
| 172 | F | 98.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 12 Ų | 12 | 8% | 0.075 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.6 | -41.1 | -175.8 | 179.8 | -111.9 | 0 | 0 | 0 | 112.6 | W91 F97 L169 A174 L175 L176 H221 | W91-F172 HydrophobicContact CE3-CD2 4.16Å; W91-F172 HydrophobicContact CH2-CB 3.52Å; W91-F172 AromaticContact CH2-CD2 3.83Å; W91-F172 HydrophobicContact CH2-CD2 3.83Å; W91-F172 HydrophobicContact CH2-CG 4.09Å; W91-F172 HydrophobicContact CZ2-CB 3.53Å; W91-F172 HydrophobicContact CZ2-CD2 4.24Å; W91-F172 HydrophobicContact CZ2-CG 4.39Å; W91-F172 VanDerWaalsContact CZ2-N 3.29Å; W91-F172 HydrophobicContact CZ3-CB 4.34Å; W91-F172 AromaticContact CZ3-CD2 3.77Å; W91-F172 HydrophobicContact CZ3-CD2 3.77Å; W91-F172 HydrophobicContact CZ3-CG 4.46Å; F97-F172 HydrophobicContact CD1-CD2 4.15Å; F97-F172 AromaticContact CD1-CE2 3.82Å; F97-F172 HydrophobicContact CD1-CE2 3.82Å; F97-F172 HydrophobicContact CE1-CD2 4.28Å; F97-F172 AromaticContact CE1-CE2 3.9Å; F97-F172 HydrophobicContact CE1-CE2 3.9Å; L169-F172 PolarHBondContact O-N 3.36Å; F172-A174 PolarHBondContact O-N 3.22Å; F172-L175 WeakPolarHBondContact O-CB 3.31Å; F172-L175 PolarHBondContact O-N 3.4Å; F172-L176 HydrophobicContact CD1-CD1 4.18Å; F172-L176 HydrophobicContact CE1-CD1 3.39Å; F172-L176 HydrophobicContact CE1-CG 4.08Å; F172-L176 HydrophobicContact CE2-CD1 4.36Å; F172-L176 HydrophobicContact CE2-CG 4.27Å; F172-L176 HydrophobicContact CZ-CD1 3.51Å; F172-L176 HydrophobicContact CZ-CD2 4.44Å; F172-L176 HydrophobicContact CZ-CG 3.89Å; F172-L176 PolarHBondContact O-N 3.2Å; F172-H221 VanDerWaalsContact CB-CE1 3.44Å; F172-H221 WeakPolarHBondContact CB-CE1 3.1Å; F172-H221 HydrophobicContact CD1-CB 3.48Å; F172-H221 VanDerWaalsContact CD1-CB 3.48Å; F172-H221 AromaticContact CD1-CD2 3.84Å; F172-H221 AromaticContact CD1-CG 3.33Å; F172-H221 AromaticContact CD1-ND1 3.53Å; F172-H221 HydrophobicContact CE1-CB 3.47Å; F172-H221 VanDerWaalsContact CE1-CB 3.47Å; F172-H221 AromaticContact CE1-CG 3.72Å; F172-H221 HydrophobicContact CG-CB 4.34Å; F172-H221 AromaticContact CG-CD2 3.83Å; F172-H221 AromaticContact CG-CE1 3.75Å; F172-H221 AromaticContact CG-CG 3.7Å; F172-H221 AromaticContact CG-ND1 3.66Å; F172-H221 AromaticContact CG-NE2 3.84Å; F172-H221 HydrophobicContact CZ-CB 4.35Å |
| 173 | H | 98.1 | Very high | 97.9 | Very high | 29 Ų | 29 | 14.6 Ų | 14.6 | 13% | 0.134 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68 | -26.9 | 179.3 | 73.3 | 88.3 | 0 | 0 | 0 | 112.7 | W158 G170 T171 N177 V218 | W158-H173 AromaticContact CE2-CE1 3.54Å; W158-H173 AromaticContact CZ2-CE1 3.23Å; W158-H173 WeakPolarHBondContact CZ2-CE1 3.42Å; W158-H173 AromaticContact CZ2-ND1 3.97Å; W158-H173 AromaticContact CZ2-NE2 3.72Å; W158-H173 AromaticContact NE1-CE1 3.41Å; W158-H173 PolarHBondContact NE1-CE1 3.18Å; G170-H173 PolarHBondContact O-CD2 3.27Å; G170-H173 PolarHBondContact O-NE2 3.28Å; G170-H173 VanDerWaalsContact O-NE2 3.13Å; T171-H173 VanDerWaalsContact C-N 3.27Å; T171-H173 PolarHBondContact O-N 3.44Å; H173-N177 WeakPolarHBondContact O-CB 3.23Å; H173-N177 PolarHBondContact O-N 3.15Å; H173-V218 HydrophobicContact CB-CB 4.19Å; H173-V218 HydrophobicContact CB-CG1 3.56Å; H173-V218 HydrophobicContact CB-CG2 3.49Å; H173-V218 VanDerWaalsContact CB-CG2 3.49Å |
| 174 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70.1 | -45.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.7 | F86 Y120 W158 T171 F172 N177 C178 | F86-A174 HydrophobicContact CD2-CB 4.47Å; F86-A174 HydrophobicContact CE1-CB 4.19Å; F86-A174 HydrophobicContact CE2-CB 3.67Å; F86-A174 HydrophobicContact CZ-CB 3.51Å; Y120-A174 HydrophobicContact CD1-CB 4.27Å; Y120-A174 HydrophobicContact CD2-CB 4.03Å; Y120-A174 HydrophobicContact CE1-CB 4.25Å; Y120-A174 HydrophobicContact CE2-CB 3.94Å; Y120-A174 HydrophobicContact CG-CB 4.17Å; W158-A174 HydrophobicContact CH2-CB 3.41Å; W158-A174 VanDerWaalsContact CH2-CB 3.41Å; W158-A174 HydrophobicContact CZ2-CB 3.47Å; W158-A174 VanDerWaalsContact CZ2-CB 3.47Å; T171-A174 WeakPolarHBondContact O-CA 3.09Å; T171-A174 WeakPolarHBondContact O-CB 3.13Å; T171-A174 PolarHBondContact O-N 3.1Å; F172-A174 PolarHBondContact O-N 3.22Å; A174-N177 PolarHBondContact O-N 2.97Å; A174-C178 PolarHBondContact O-N 2.96Å; A174-C178 PolarHBondContact O-SG 2.99Å |
| 175 | L | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 14.4 Ų | 14.4 | 8% | 0.084 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.7 | -54.3 | 173.8 | 170.5 | 64.2 | 0 | 0 | 0 | 110.8 | F86 V87 W91 T171 F172 N177 C178 V179 | F86-L175 HydrophobicContact CB-CB 4.23Å; F86-L175 HydrophobicContact CB-CD1 3.92Å; F86-L175 HydrophobicContact CG-CB 4.5Å; V87-L175 HydrophobicContact CG2-CD1 3.83Å; W91-L175 HydrophobicContact CB-CD2 3.7Å; W91-L175 HydrophobicContact CD2-CD2 4.02Å; W91-L175 HydrophobicContact CG-CD2 3.58Å; T171-L175 PolarHBondContact O-N 3.11Å; F172-L175 WeakPolarHBondContact O-CB 3.31Å; F172-L175 PolarHBondContact O-N 3.4Å; L175-N177 VanDerWaalsContact C-N 3.32Å; L175-N177 PolarHBondContact O-N 3.44Å; L175-C178 WeakPolarHBondContact O-CB 3.48Å; L175-C178 PolarHBondContact O-N 3.16Å; L175-V179 PolarHBondContact O-N 2.92Å |
| 176 | L | 98.2 | Very high | 98 | Very high | 31 Ų | 31 | 16 Ų | 16 | 16% | 0.162 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 178.4 | -75.4 | -173.3 | 0 | 0 | 0 | 112.2 | F172 C178 V179 V180 Q214 M217 V218 | F172-L176 HydrophobicContact CD1-CD1 4.18Å; F172-L176 HydrophobicContact CE1-CD1 3.39Å; F172-L176 HydrophobicContact CE1-CG 4.08Å; F172-L176 HydrophobicContact CE2-CD1 4.36Å; F172-L176 HydrophobicContact CE2-CG 4.27Å; F172-L176 HydrophobicContact CZ-CD1 3.51Å; F172-L176 HydrophobicContact CZ-CD2 4.44Å; F172-L176 HydrophobicContact CZ-CG 3.89Å; F172-L176 PolarHBondContact O-N 3.2Å; L176-C178 VanDerWaalsContact C-N 3.32Å; L176-C178 PolarHBondContact O-N 3.21Å; L176-V179 PolarHBondContact O-N 3.26Å; L176-V180 WeakPolarHBondContact O-CG2 3.46Å; L176-V180 PolarHBondContact O-N 2.76Å; L176-Q214 HydrophobicContact CB-CG 4.02Å; L176-M217 HydrophobicContact CD1-CB 3.73Å; L176-M217 HydrophobicContact CD1-CE 4.2Å; L176-M217 HydrophobicContact CD1-SD 4.37Å; L176-M217 HydrophobicContact CD2-CE 4.34Å; L176-V218 HydrophobicContact CD1-CG2 4.05Å |
| 177 | N | 98.4 | Very high | 97.9 | Very high | 9 Ų | 9 | 17 Ų | 17 | 5% | 0.048 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 177.2 | -178.2 | -106.5 | 0 | 0 | 0 | 111.9 | Y120 K124 H173 A174 L175 V179 V180 H181 | Y120-N177 HydrophobicContact CE2-CB 4.24Å; Y120-N177 WeakPolarHBondContact OH-CB 3.37Å; Y120-N177 VanDerWaalsContact OH-CG 3.29Å; Y120-N177 PolarHBondContact OH-OD1 3.14Å; K124-N177 PolarHBondContact NZ-OD1 3.46Å; H173-N177 WeakPolarHBondContact O-CB 3.23Å; H173-N177 PolarHBondContact O-N 3.15Å; A174-N177 PolarHBondContact O-N 2.97Å; L175-N177 VanDerWaalsContact C-N 3.32Å; L175-N177 PolarHBondContact O-N 3.44Å; N177-V179 VanDerWaalsContact C-N 3.35Å; N177-V179 PolarHBondContact O-N 2.77Å; N177-V180 PolarHBondContact O-N 3.14Å; N177-H181 PolarHBondContact ND2-CD2 3.35Å; N177-H181 VanDerWaalsContact ND2-CD2 3.26Å; N177-H181 PolarHBondContact ND2-NE2 2.86Å; N177-H181 VanDerWaalsContact ND2-NE2 3.11Å; N177-H181 VanDerWaalsContact O-CB 3.31Å; N177-H181 WeakPolarHBondContact O-CB 3.48Å; N177-H181 PolarHBondContact O-CD2 3.22Å; N177-H181 PolarHBondContact O-N 2.76Å; N177-H181 PolarHBondContact OD1-CE1 3.41Å; N177-H181 PolarHBondContact OD1-NE2 3.07Å |
| 178 | C | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 175.6 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | C83 A174 L175 L176 V180 H181 V182 | C83-C178 HydrophobicContact CB-CB 3.86Å; A174-C178 PolarHBondContact O-N 2.96Å; A174-C178 PolarHBondContact O-SG 2.99Å; L175-C178 WeakPolarHBondContact O-CB 3.48Å; L175-C178 PolarHBondContact O-N 3.16Å; L176-C178 VanDerWaalsContact C-N 3.32Å; L176-C178 PolarHBondContact O-N 3.21Å; C178-V180 VanDerWaalsContact C-N 3.33Å; C178-V180 PolarHBondContact O-N 2.98Å; C178-H181 PolarHBondContact O-N 3.5Å; C178-V182 WeakPolarHBondContact O-CG2 3.33Å; C178-V182 PolarHBondContact O-N 3.36Å |
| 179 | V | 98.3 | Very high | 97.7 | Very high | 65 Ų | 65 | 20.5 Ų | 20.5 | 39% | 0.394 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | C83 L175 L176 N177 V182 I183 | C83-V179 VanDerWaalsContact SG-CG2 3.59Å; L175-V179 PolarHBondContact O-N 2.92Å; L176-V179 PolarHBondContact O-N 3.26Å; N177-V179 VanDerWaalsContact C-N 3.35Å; N177-V179 PolarHBondContact O-N 2.77Å; V179-V182 PolarHBondContact O-N 3.25Å; V179-I183 PolarHBondContact O-N 3.12Å |
| 180 | V | 98.1 | Very high | 97.6 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.5 | -36 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | L176 N177 C178 V182 I183 M184 I210 Q211 Q214 | L176-V180 WeakPolarHBondContact O-CG2 3.46Å; L176-V180 PolarHBondContact O-N 2.76Å; N177-V180 PolarHBondContact O-N 3.14Å; C178-V180 VanDerWaalsContact C-N 3.33Å; C178-V180 PolarHBondContact O-N 2.98Å; V180-V182 VanDerWaalsContact C-N 3.35Å; V180-V182 PolarHBondContact O-N 3.34Å; V180-I183 PolarHBondContact O-N 3.41Å; V180-M184 WeakPolarHBondContact O-CB 3.18Å; V180-M184 PolarHBondContact O-N 2.88Å; V180-I210 HydrophobicContact CG1-CG2 4.34Å; V180-I210 HydrophobicContact CG2-CG2 3.78Å; V180-Q211 HydrophobicContact CG1-CG 3.67Å; V180-Q214 HydrophobicContact CG2-CB 4.03Å; V180-Q214 HydrophobicContact CG2-CG 3.97Å |
| 181 | H | 98.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 24.2 Ų | 24.2 | 3% | 0.028 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 177 | -85.8 | -144.5 | 0 | 0 | 0 | 111.8 | E127 N177 C178 I183 M184 Y185 | E127-H181 IonicContact OE1-CE1 3.96Å; E127-H181 PolarHBondContact OE1-CE1 3.29Å; E127-H181 VanDerWaalsContact OE1-CE1 3.3Å; E127-H181 IonicContact OE1-ND1 2.99Å; E127-H181 PolarHBondContact OE1-ND1 3.29Å; E127-H181 IonicContact OE2-CE1 2.74Å; E127-H181 PolarHBondContact OE2-CE1 2.84Å; E127-H181 VanDerWaalsContact OE2-CE1 3.29Å; E127-H181 IonicContact OE2-ND1 3.3Å; N177-H181 PolarHBondContact ND2-CD2 3.35Å; N177-H181 VanDerWaalsContact ND2-CD2 3.26Å; N177-H181 PolarHBondContact ND2-NE2 2.86Å; N177-H181 VanDerWaalsContact ND2-NE2 3.11Å; N177-H181 VanDerWaalsContact O-CB 3.31Å; N177-H181 WeakPolarHBondContact O-CB 3.48Å; N177-H181 PolarHBondContact O-CD2 3.22Å; N177-H181 PolarHBondContact O-N 2.76Å; N177-H181 PolarHBondContact OD1-CE1 3.41Å; N177-H181 PolarHBondContact OD1-NE2 3.07Å; C178-H181 PolarHBondContact O-N 3.5Å; H181-I183 VanDerWaalsContact C-N 3.3Å; H181-I183 PolarHBondContact O-N 3.42Å; H181-M184 PolarHBondContact O-N 2.96Å; H181-Y185 HydrophobicContact CB-CD2 4.05Å; H181-Y185 HydrophobicContact CB-CE2 4.28Å; H181-Y185 AromaticContact CG-CE2 3.97Å; H181-Y185 AromaticContact ND1-CE2 3.55Å; H181-Y185 WeakPolarHBondContact O-CB 3.26Å; H181-Y185 WeakPolarHBondContact O-CD2 3.45Å; H181-Y185 PolarHBondContact O-N 3.48Å |
| 182 | V | 98.5 | Very high | 97.1 | Very high | 28 Ų | 28 | 24.9 Ų | 24.9 | 17% | 0.17 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.9 | -48.1 | 171 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | V76 L80 C178 V179 V180 T186 | V76-V182 HydrophobicContact CG1-CG1 4.25Å; L80-V182 HydrophobicContact CB-CG2 4.42Å; L80-V182 HydrophobicContact CD2-CG1 4.05Å; L80-V182 HydrophobicContact CD2-CG2 3.8Å; L80-V182 HydrophobicContact CG-CG1 4.19Å; L80-V182 HydrophobicContact CG-CG2 3.66Å; C178-V182 WeakPolarHBondContact O-CG2 3.33Å; C178-V182 PolarHBondContact O-N 3.36Å; V179-V182 PolarHBondContact O-N 3.25Å; V180-V182 VanDerWaalsContact C-N 3.35Å; V180-V182 PolarHBondContact O-N 3.34Å; V182-T186 VanDerWaalsContact O-CB 3.24Å; V182-T186 WeakPolarHBondContact O-CB 3.27Å; V182-T186 PolarHBondContact O-N 2.82Å; V182-T186 VanDerWaalsContact O-N 3.12Å; V182-T186 PolarHBondContact O-OG1 2.79Å |
| 183 | I | 98.1 | Very high | 96.8 | Very high | 54 Ų | 54 | 26.5 Ų | 26.5 | 28% | 0.277 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -68.8 | -44 | -179.4 | -56.4 | 171.2 | 0 | 0 | 0 | 110.8 | V179 V180 H181 Y187 W203 L207 I210 | V179-I183 PolarHBondContact O-N 3.12Å; V180-I183 PolarHBondContact O-N 3.41Å; H181-I183 VanDerWaalsContact C-N 3.3Å; H181-I183 PolarHBondContact O-N 3.42Å; I183-Y187 PolarHBondContact O-N 3.34Å; I183-W203 HydrophobicContact CG2-CZ3 4.15Å; I183-L207 HydrophobicContact CB-CD1 4.45Å; I183-L207 HydrophobicContact CG2-CD1 3.86Å; I183-I210 HydrophobicContact CD1-CD1 4.18Å; I183-I210 HydrophobicContact CD1-CG2 4.41Å |
| 184 | M | 97.5 | Very high | 96.4 | Very high | 13 Ų | 13 | 25.5 Ų | 25.5 | 6% | 0.064 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.7 | -49.8 | -177.7 | -173 | -175.6 | 71.8 | 0 | 0 | 112.6 | V180 H181 T186 Y187 Y188 L207 Q211 | V180-M184 WeakPolarHBondContact O-CB 3.18Å; V180-M184 PolarHBondContact O-N 2.88Å; H181-M184 PolarHBondContact O-N 2.96Å; M184-T186 VanDerWaalsContact C-N 3.31Å; M184-T186 PolarHBondContact O-N 3.45Å; M184-Y187 WeakPolarHBondContact O-CB 3.34Å; M184-Y187 PolarHBondContact O-N 3.26Å; M184-Y187 VanDerWaalsContact O-N 3.16Å; M184-Y188 HydrophobicContact CE-CE2 3.97Å; M184-Y188 HydrophobicContact CG-CD2 4.15Å; M184-Y188 HydrophobicContact CG-CE2 3.58Å; M184-Y188 PolarHBondContact O-N 3.02Å; M184-Y188 HydrophobicContact SD-CE2 3.86Å; M184-L207 HydrophobicContact CB-CD1 4Å; M184-L207 HydrophobicContact CG-CD1 4.45Å; M184-L207 HydrophobicContact CG-CD2 4.35Å; M184-Q211 PolarHBondContact SD-NE2 3.44Å; M184-Q211 VanDerWaalsContact SD-NE2 3.43Å |
| 185 | Y | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.9 | -27.8 | 179.7 | -76.9 | -78 | 0 | 0 | 0 | 111.9 | Y71 N72 V75 E127 D130 H181 Y188 G189 | Y71-Y185 HydrophobicContact CE1-CE1 4.1Å; N72-Y185 WeakPolarHBondContact OD1-CD1 3.44Å; V75-Y185 HydrophobicContact CB-CD1 3.95Å; V75-Y185 HydrophobicContact CB-CD2 4.18Å; V75-Y185 HydrophobicContact CB-CE1 4.27Å; V75-Y185 HydrophobicContact CB-CE2 4.45Å; V75-Y185 HydrophobicContact CB-CG 3.93Å; V75-Y185 HydrophobicContact CG1-CD1 3.92Å; V75-Y185 HydrophobicContact CG1-CD2 3.36Å; V75-Y185 HydrophobicContact CG1-CE1 3.98Å; V75-Y185 HydrophobicContact CG1-CE2 3.41Å; V75-Y185 VanDerWaalsContact CG1-CE2 3.41Å; V75-Y185 HydrophobicContact CG1-CG 3.64Å; V75-Y185 HydrophobicContact CG2-CD1 4.47Å; V75-Y185 HydrophobicContact CG2-CE1 4.42Å; E127-Y185 HydrophobicContact CG-CE2 4.49Å; E127-Y185 WeakPolarHBondContact CG-OH 3.05Å; D130-Y185 PolarHBondContact OD2-OH 3.49Å; H181-Y185 HydrophobicContact CB-CD2 4.05Å; H181-Y185 HydrophobicContact CB-CE2 4.28Å; H181-Y185 AromaticContact CG-CE2 3.97Å; H181-Y185 AromaticContact ND1-CE2 3.55Å; H181-Y185 WeakPolarHBondContact O-CB 3.26Å; H181-Y185 WeakPolarHBondContact O-CD2 3.45Å; H181-Y185 PolarHBondContact O-N 3.48Å; Y185-Y188 HydrophobicContact CD1-CD2 4.14Å; Y185-Y188 HydrophobicContact CE1-CD2 4.3Å; Y185-Y188 PolarHBondContact O-N 3.22Å; Y185-G189 PolarHBondContact O-N 3.19Å |
| 186 | T | 97.5 | Very high | 95.3 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 25% | 0.252 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 167.4 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | V76 V182 M184 Y188 G189 L190 | V76-T186 WeakPolarHBondContact CG2-OG1 3.29Å; V182-T186 VanDerWaalsContact O-CB 3.24Å; V182-T186 WeakPolarHBondContact O-CB 3.27Å; V182-T186 PolarHBondContact O-N 2.82Å; V182-T186 VanDerWaalsContact O-N 3.12Å; V182-T186 PolarHBondContact O-OG1 2.79Å; M184-T186 VanDerWaalsContact C-N 3.31Å; M184-T186 PolarHBondContact O-N 3.45Å; T186-Y188 VanDerWaalsContact C-N 3.34Å; T186-Y188 PolarHBondContact O-N 3.3Å; T186-G189 PolarHBondContact O-N 3.07Å; T186-L190 HydrophobicContact CG2-CD1 4.09Å; T186-L190 HydrophobicContact CG2-CG 4.45Å; T186-L190 WeakPolarHBondContact O-CB 3.29Å; T186-L190 VanDerWaalsContact O-CG 3.29Å; T186-L190 WeakPolarHBondContact O-CG 3.48Å; T186-L190 PolarHBondContact O-N 2.91Å |
| 187 | Y | 96.3 | Very high | 94.9 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 9% | 0.094 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -43.7 | 174.9 | 177.6 | -89.1 | 0 | 0 | 0 | 112.2 | I183 M184 T191 L201 W203 K204 L207 | I183-Y187 PolarHBondContact O-N 3.34Å; M184-Y187 WeakPolarHBondContact O-CB 3.34Å; M184-Y187 PolarHBondContact O-N 3.26Å; M184-Y187 VanDerWaalsContact O-N 3.16Å; Y187-T191 WeakPolarHBondContact O-CB 3.45Å; Y187-T191 PolarHBondContact O-N 3.29Å; Y187-T191 PolarHBondContact O-OG1 3.29Å; Y187-L201 HydrophobicContact CD2-CB 4.47Å; Y187-L201 HydrophobicContact CD2-CD1 4.37Å; Y187-L201 HydrophobicContact CD2-CD2 4.29Å; Y187-L201 HydrophobicContact CE2-CB 3.81Å; Y187-L201 HydrophobicContact CE2-CD1 4.1Å; Y187-L201 HydrophobicContact CE2-CD2 4.45Å; Y187-L201 HydrophobicContact CE2-CG 4.35Å; Y187-W203 HydrophobicContact CD2-CD2 4.47Å; Y187-W203 HydrophobicContact CD2-CE3 4.13Å; Y187-W203 AromaticContact CD2-CH2 3.69Å; Y187-W203 HydrophobicContact CD2-CH2 3.69Å; Y187-W203 HydrophobicContact CD2-CZ2 4.01Å; Y187-W203 AromaticContact CD2-CZ3 3.73Å; Y187-W203 HydrophobicContact CD2-CZ3 3.73Å; Y187-W203 HydrophobicContact CG-CH2 4.15Å; Y187-W203 HydrophobicContact CG-CZ3 4.27Å; Y187-K204 HydrophobicContact CE1-CG 4.43Å; Y187-K204 HydrophobicContact CE2-CB 3.81Å; Y187-K204 HydrophobicContact CE2-CG 4.17Å; Y187-K204 WeakPolarHBondContact OH-CB 3.32Å; Y187-K204 WeakPolarHBondContact OH-CD 3.4Å; Y187-K204 VanDerWaalsContact OH-CG 3.31Å; Y187-K204 WeakPolarHBondContact OH-CG 3.41Å; Y187-L207 HydrophobicContact CD1-CD2 3.84Å; Y187-L207 HydrophobicContact CD2-CD2 4.39Å; Y187-L207 HydrophobicContact CG-CD2 3.81Å |
| 188 | Y | 94.8 | Very high | 94.4 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 29% | 0.29 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.2 | -40.7 | 178.2 | -67.1 | -26.4 | 0 | 0 | 0 | 113 | N72 M184 Y185 T186 T191 A192 | N72-Y188 WeakPolarHBondContact OD1-CB 3.13Å; M184-Y188 HydrophobicContact CE-CE2 3.97Å; M184-Y188 HydrophobicContact CG-CD2 4.15Å; M184-Y188 HydrophobicContact CG-CE2 3.58Å; M184-Y188 PolarHBondContact O-N 3.02Å; M184-Y188 HydrophobicContact SD-CE2 3.86Å; Y185-Y188 HydrophobicContact CD1-CD2 4.14Å; Y185-Y188 HydrophobicContact CE1-CD2 4.3Å; Y185-Y188 PolarHBondContact O-N 3.22Å; T186-Y188 VanDerWaalsContact C-N 3.34Å; T186-Y188 PolarHBondContact O-N 3.3Å; Y188-T191 WeakPolarHBondContact O-CB 3.36Å; Y188-T191 PolarHBondContact O-N 3.09Å; Y188-A192 PolarHBondContact O-N 3.48Å |
| 189 | G | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.6 | -48.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y185 T186 T191 A192 M193 | Y185-G189 PolarHBondContact O-N 3.19Å; T186-G189 PolarHBondContact O-N 3.07Å; G189-T191 VanDerWaalsContact C-N 3.3Å; G189-T191 PolarHBondContact O-N 2.73Å; G189-A192 WeakPolarHBondContact O-CB 3.27Å; G189-A192 PolarHBondContact O-N 2.97Å; G189-A192 VanDerWaalsContact O-N 3.12Å; G189-M193 PolarHBondContact O-N 2.86Å |
| 190 | L | 95 | Very high | 93.3 | Very high | 49 Ų | 49 | 49.5 Ų | 49.5 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 175.2 | -66.7 | 174.8 | 0 | 0 | 0 | 112.2 | T186 A192 M193 L201 W203 | T186-L190 HydrophobicContact CG2-CD1 4.09Å; T186-L190 HydrophobicContact CG2-CG 4.45Å; T186-L190 WeakPolarHBondContact O-CB 3.29Å; T186-L190 VanDerWaalsContact O-CG 3.29Å; T186-L190 WeakPolarHBondContact O-CG 3.48Å; T186-L190 PolarHBondContact O-N 2.91Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 3.25Å; L190-M193 HydrophobicContact CD2-SD 4.12Å; L190-M193 PolarHBondContact O-N 3.49Å; L190-L201 HydrophobicContact CB-CD1 4.14Å; L190-L201 HydrophobicContact CB-CD2 3.97Å; L190-L201 HydrophobicContact CD1-CD2 3.94Å; L190-W203 HydrophobicContact CD1-CZ2 4.5Å |
| 191 | T | 92.1 | Very high | 92.9 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.6 | -38.2 | 174.5 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | Y187 Y188 G189 M193 G194 Q198 L201 | Y187-T191 WeakPolarHBondContact O-CB 3.45Å; Y187-T191 PolarHBondContact O-N 3.29Å; Y187-T191 PolarHBondContact O-OG1 3.29Å; Y188-T191 WeakPolarHBondContact O-CB 3.36Å; Y188-T191 PolarHBondContact O-N 3.09Å; G189-T191 VanDerWaalsContact C-N 3.3Å; G189-T191 PolarHBondContact O-N 2.73Å; T191-M193 VanDerWaalsContact C-N 3.3Å; T191-M193 PolarHBondContact O-N 3.2Å; T191-G194 PolarHBondContact O-N 3.44Å; T191-Q198 HydrophobicContact CG2-CG 4.14Å; T191-Q198 PolarHBondContact O-NE2 2.93Å; T191-L201 WeakPolarHBondContact OG1-CD1 3.2Å |
| 192 | A | 93 | Very high | 92.5 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 13% | 0.132 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -27.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K65 L68 I69 Y188 G189 L190 G194 | K65-A192 WeakPolarHBondContact CE-O 3.38Å; K65-A192 WeakPolarHBondContact CG-O 3.49Å; L68-A192 HydrophobicContact CB-CB 3.95Å; I69-A192 HydrophobicContact CG1-CB 3.91Å; Y188-A192 PolarHBondContact O-N 3.48Å; G189-A192 WeakPolarHBondContact O-CB 3.27Å; G189-A192 PolarHBondContact O-N 2.97Å; G189-A192 VanDerWaalsContact O-N 3.12Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 3.25Å; A192-G194 PolarHBondContact O-N 3.41Å; A192-G194 VanDerWaalsContact O-N 3.13Å |
| 193 | M | 92.6 | Very high | 92.1 | Very high | 51 Ų | 51 | 58.2 Ų | 58.2 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.9 | 177 | -68.9 | 177 | 154 | 0 | 0 | 114 | K65 I69 F73 G189 L190 T191 Y197 | K65-M193 WeakPolarHBondContact CE-O 3.29Å; K65-M193 PolarHBondContact NZ-O 2.81Å; I69-M193 HydrophobicContact CD1-CG 3.95Å; I69-M193 HydrophobicContact CG1-CG 4.16Å; I69-M193 HydrophobicContact CG2-CE 4.43Å; F73-M193 HydrophobicContact CE2-CE 3.89Å; F73-M193 HydrophobicContact CZ-CE 4.26Å; G189-M193 PolarHBondContact O-N 2.86Å; L190-M193 HydrophobicContact CD2-SD 4.12Å; L190-M193 PolarHBondContact O-N 3.49Å; T191-M193 VanDerWaalsContact C-N 3.3Å; T191-M193 PolarHBondContact O-N 3.2Å; M193-Y197 HydrophobicContact CB-CD2 3.46Å; M193-Y197 VanDerWaalsContact CB-CD2 3.46Å; M193-Y197 HydrophobicContact CB-CE2 3.93Å; M193-Y197 HydrophobicContact CB-CG 3.81Å; M193-Y197 HydrophobicContact SD-CD1 4.16Å; M193-Y197 HydrophobicContact SD-CD2 4.48Å; M193-Y197 HydrophobicContact SD-CE1 4.14Å; M193-Y197 HydrophobicContact SD-CE2 4.47Å; M193-Y197 HydrophobicContact SD-CG 4.33Å |
| 194 | G | 88.2 | Confident | 91.7 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 9% | 0.093 | 27% | 0.27 | C | S | . | . | trans | 112 | -172.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T191 A192 N196 Y197 Q198 | T191-G194 PolarHBondContact O-N 3.44Å; A192-G194 PolarHBondContact O-N 3.41Å; A192-G194 VanDerWaalsContact O-N 3.13Å; G194-N196 PolarHBondContact O-N 2.88Å; G194-N196 VanDerWaalsContact O-N 3.17Å; G194-Y197 PolarHBondContact O-N 3.4Å; G194-Q198 WeakPolarHBondContact O-CG 3.44Å; G194-Q198 PolarHBondContact O-N 3.44Å | ||
| 195 | P | 87.1 | Confident | 91.2 | Very high | 98 Ų | 98 | 60.3 Ų | 60.3 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -56.9 | -34.2 | -171.9 | -26.8 | 35.6 | 0 | 0 | 0 | 114.4 | Y197 Q198 K199 | P195-Y197 PolarHBondContact O-N 2.9Å; P195-Q198 PolarHBondContact O-N 3.2Å; P195-K199 PolarHBondContact O-N 2.96Å |
| 196 | N | 88.2 | Confident | 91 | Very high | 121 Ų | 121 | 67 Ų | 67 | 65% | 0.647 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.6 | -28.6 | 179 | -66.9 | -15.9 | 0 | 0 | 0 | 113.1 | G194 K199 Y200 | G194-N196 PolarHBondContact O-N 2.88Å; G194-N196 VanDerWaalsContact O-N 3.17Å; N196-K199 WeakPolarHBondContact O-CE 3.11Å; N196-K199 WeakPolarHBondContact O-CG 3.4Å; N196-Y200 VanDerWaalsContact O-CE2 3.25Å; N196-Y200 WeakPolarHBondContact O-CE2 3.44Å |
| 197 | Y | 89.1 | Confident | 90.7 | Very high | 117 Ų | 117 | 65.3 Ų | 65.3 | 46% | 0.459 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -98.5 | -35 | 177.8 | -67.5 | -92.7 | 0 | 0 | 0 | 112.1 | M193 G194 P195 K199 Y200 | M193-Y197 HydrophobicContact CB-CD2 3.46Å; M193-Y197 VanDerWaalsContact CB-CD2 3.46Å; M193-Y197 HydrophobicContact CB-CE2 3.93Å; M193-Y197 HydrophobicContact CB-CG 3.81Å; M193-Y197 HydrophobicContact SD-CD1 4.16Å; M193-Y197 HydrophobicContact SD-CD2 4.48Å; M193-Y197 HydrophobicContact SD-CE1 4.14Å; M193-Y197 HydrophobicContact SD-CE2 4.47Å; M193-Y197 HydrophobicContact SD-CG 4.33Å; G194-Y197 PolarHBondContact O-N 3.4Å; P195-Y197 PolarHBondContact O-N 2.9Å; Y197-K199 PolarHBondContact O-N 3.31Å; Y197-K199 VanDerWaalsContact O-N 3.11Å; Y197-Y200 PolarHBondContact O-N 3.46Å |
| 198 | Q | 87.4 | Confident | 90.4 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 14% | 0.136 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.8 | -27.3 | -178.7 | -72.2 | 168 | 13.2 | 0 | 0 | 113.9 | T191 G194 P195 Y200 L201 K269 | T191-Q198 HydrophobicContact CG2-CG 4.14Å; T191-Q198 PolarHBondContact O-NE2 2.93Å; G194-Q198 WeakPolarHBondContact O-CG 3.44Å; G194-Q198 PolarHBondContact O-N 3.44Å; P195-Q198 PolarHBondContact O-N 3.2Å; Q198-Y200 PolarHBondContact O-N 3.12Å; Q198-L201 WeakPolarHBondContact O-CB 3.46Å; Q198-L201 PolarHBondContact O-N 3.05Å; Q198-L201 VanDerWaalsContact O-N 3.15Å; Q198-K269 HydrophobicContact CB-CD 4.39Å; Q198-K269 VanDerWaalsContact OE1-CE 3.22Å |
| 199 | K | 85.9 | Confident | 90.4 | Very high | 117 Ų | 117 | 63.1 Ų | 63.1 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -22.6 | 175.5 | 68.9 | -173.4 | -173.1 | 179.5 | 0 | 113.7 | P195 N196 Y197 V270 | P195-K199 PolarHBondContact O-N 2.96Å; N196-K199 WeakPolarHBondContact O-CE 3.11Å; N196-K199 WeakPolarHBondContact O-CG 3.4Å; Y197-K199 PolarHBondContact O-N 3.31Å; Y197-K199 VanDerWaalsContact O-N 3.11Å; K199-V270 WeakPolarHBondContact O-CG2 3.28Å |
| 200 | Y | 88.6 | Confident | 90.4 | Very high | 143 Ų | 143 | 66 Ų | 66 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -6.6 | 177.2 | -56.3 | -71.9 | 0 | 0 | 0 | 113 | N196 Y197 Q198 W202 | N196-Y200 VanDerWaalsContact O-CE2 3.25Å; N196-Y200 WeakPolarHBondContact O-CE2 3.44Å; Y197-Y200 PolarHBondContact O-N 3.46Å; Q198-Y200 PolarHBondContact O-N 3.12Å; Y200-W202 PolarHBondContact O-N 3.13Å |
| 201 | L | 90.6 | Very high | 90.3 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | trans | -88.1 | 48 | -175.7 | -59.6 | -178.2 | 0 | 0 | 0 | 112.6 | Y187 L190 T191 Q198 W203 | Y187-L201 HydrophobicContact CD2-CB 4.47Å; Y187-L201 HydrophobicContact CD2-CD1 4.37Å; Y187-L201 HydrophobicContact CD2-CD2 4.29Å; Y187-L201 HydrophobicContact CE2-CB 3.81Å; Y187-L201 HydrophobicContact CE2-CD1 4.1Å; Y187-L201 HydrophobicContact CE2-CD2 4.45Å; Y187-L201 HydrophobicContact CE2-CG 4.35Å; L190-L201 HydrophobicContact CB-CD1 4.14Å; L190-L201 HydrophobicContact CB-CD2 3.97Å; L190-L201 HydrophobicContact CD1-CD2 3.94Å; T191-L201 WeakPolarHBondContact OG1-CD1 3.2Å; Q198-L201 WeakPolarHBondContact O-CB 3.46Å; Q198-L201 PolarHBondContact O-N 3.05Å; Q198-L201 VanDerWaalsContact O-N 3.15Å; L201-W203 HydrophobicContact CD2-CZ2 3.93Å; L201-W203 PolarHBondContact O-N 3.4Å | ||
| 202 | W | 88.9 | Confident | 90.5 | Very high | 155 Ų | 155 | 63.8 Ų | 63.8 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -25.3 | 177.7 | 58.9 | -94.1 | 0 | 0 | 0 | 112.4 | Y200 K204 Y206 | Y200-W202 PolarHBondContact O-N 3.13Å; W202-K204 VanDerWaalsContact C-N 3.26Å; W202-K204 PolarHBondContact O-N 3.28Å; W202-Y206 HydrophobicContact CE3-CE2 4.11Å; W202-Y206 HydrophobicContact CZ3-CD2 4.12Å; W202-Y206 AromaticContact CZ3-CE2 3.54Å; W202-Y206 HydrophobicContact CZ3-CE2 3.54Å |
| 203 | W | 90.6 | Very high | 90.6 | Very high | 61 Ų | 61 | 67.2 Ų | 67.2 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 13.5 | -172.5 | 53.5 | -92.9 | 0 | 0 | 0 | 115.2 | I183 Y187 L190 L201 K205 Y206 L207 | I183-W203 HydrophobicContact CG2-CZ3 4.15Å; Y187-W203 HydrophobicContact CD2-CD2 4.47Å; Y187-W203 HydrophobicContact CD2-CE3 4.13Å; Y187-W203 AromaticContact CD2-CH2 3.69Å; Y187-W203 HydrophobicContact CD2-CH2 3.69Å; Y187-W203 HydrophobicContact CD2-CZ2 4.01Å; Y187-W203 AromaticContact CD2-CZ3 3.73Å; Y187-W203 HydrophobicContact CD2-CZ3 3.73Å; Y187-W203 HydrophobicContact CG-CH2 4.15Å; Y187-W203 HydrophobicContact CG-CZ3 4.27Å; L190-W203 HydrophobicContact CD1-CZ2 4.5Å; L201-W203 HydrophobicContact CD2-CZ2 3.93Å; L201-W203 PolarHBondContact O-N 3.4Å; W203-K205 PolarHBondContact O-N 3.49Å; W203-K205 VanDerWaalsContact O-N 3.11Å; W203-Y206 HydrophobicContact CB-CD2 3.93Å; W203-Y206 WeakPolarHBondContact O-CB 3.48Å; W203-Y206 PolarHBondContact O-N 2.83Å; W203-L207 HydrophobicContact CE3-CB 4.48Å; W203-L207 HydrophobicContact CZ3-CB 4.4Å; W203-L207 PolarHBondContact O-N 3.28Å |
| 204 | K | 88.6 | Confident | 90.8 | Very high | 40 Ų | 40 | 65.6 Ų | 65.6 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -51.9 | -36 | 177.4 | -177 | -170 | -178.8 | -177.5 | 0 | 113.5 | Y187 W202 L207 T208 Y261 R266 P268 | Y187-K204 HydrophobicContact CE1-CG 4.43Å; Y187-K204 HydrophobicContact CE2-CB 3.81Å; Y187-K204 HydrophobicContact CE2-CG 4.17Å; Y187-K204 WeakPolarHBondContact OH-CB 3.32Å; Y187-K204 WeakPolarHBondContact OH-CD 3.4Å; Y187-K204 VanDerWaalsContact OH-CG 3.31Å; Y187-K204 WeakPolarHBondContact OH-CG 3.41Å; W202-K204 VanDerWaalsContact C-N 3.26Å; W202-K204 PolarHBondContact O-N 3.28Å; K204-L207 WeakPolarHBondContact O-CB 3.5Å; K204-L207 PolarHBondContact O-N 3.45Å; K204-T208 PolarHBondContact O-N 3.18Å; K204-Y261 PolarHBondContact O-OH 2.96Å; K204-R266 PolarHBondContact NZ-O 2.63Å; K204-P268 HydrophobicContact CB-CB 4.34Å; K204-P268 HydrophobicContact CB-CG 4.11Å; K204-P268 HydrophobicContact CD-CG 4.5Å |
| 205 | K | 88.1 | Confident | 91 | Very high | 72 Ų | 72 | 65.9 Ų | 65.9 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 177.9 | -62 | -175.9 | 90.2 | -176.8 | 0 | 111.3 | W203 L207 T208 T209 W257 Y261 P268 L271 | W203-K205 PolarHBondContact O-N 3.49Å; W203-K205 VanDerWaalsContact O-N 3.11Å; K205-L207 VanDerWaalsContact C-N 3.27Å; K205-L207 PolarHBondContact O-N 2.89Å; K205-T208 PolarHBondContact O-N 3.45Å; K205-T208 VanDerWaalsContact O-N 3.12Å; K205-T209 PolarHBondContact O-N 2.75Å; K205-T209 PolarHBondContact O-OG1 3.26Å; K205-W257 HydrophobicContact CB-CH2 4.45Å; K205-Y261 HydrophobicContact CD-CD1 4.39Å; K205-Y261 HydrophobicContact CG-CD1 3.9Å; K205-Y261 HydrophobicContact CG-CE1 3.85Å; K205-Y261 HydrophobicContact CG-CG 4.37Å; K205-P268 HydrophobicContact CG-CG 4.27Å; K205-L271 HydrophobicContact CD-CD1 4.4Å |
| 206 | Y | 92.4 | Very high | 91.4 | Very high | 140 Ų | 140 | 64.8 Ų | 64.8 | 55% | 0.549 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -32.2 | 177.5 | -61 | -85.5 | 0 | 0 | 0 | 112.2 | W202 W203 T208 T209 I210 | W202-Y206 HydrophobicContact CE3-CE2 4.11Å; W202-Y206 HydrophobicContact CZ3-CD2 4.12Å; W202-Y206 AromaticContact CZ3-CE2 3.54Å; W202-Y206 HydrophobicContact CZ3-CE2 3.54Å; W203-Y206 HydrophobicContact CB-CD2 3.93Å; W203-Y206 WeakPolarHBondContact O-CB 3.48Å; W203-Y206 PolarHBondContact O-N 2.83Å; Y206-T208 PolarHBondContact O-N 3.4Å; Y206-T209 WeakPolarHBondContact O-CB 3.05Å; Y206-T209 PolarHBondContact O-N 3.45Å; Y206-I210 WeakPolarHBondContact O-CG1 3.31Å; Y206-I210 PolarHBondContact O-N 3.06Å |
| 207 | L | 91.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.6 | -49.3 | 171.2 | 177.8 | 67.9 | 0 | 0 | 0 | 111 | I183 M184 Y187 W203 K204 K205 T209 I210 Q211 | I183-L207 HydrophobicContact CB-CD1 4.45Å; I183-L207 HydrophobicContact CG2-CD1 3.86Å; M184-L207 HydrophobicContact CB-CD1 4Å; M184-L207 HydrophobicContact CG-CD1 4.45Å; M184-L207 HydrophobicContact CG-CD2 4.35Å; Y187-L207 HydrophobicContact CD1-CD2 3.84Å; Y187-L207 HydrophobicContact CD2-CD2 4.39Å; Y187-L207 HydrophobicContact CG-CD2 3.81Å; W203-L207 HydrophobicContact CE3-CB 4.48Å; W203-L207 HydrophobicContact CZ3-CB 4.4Å; W203-L207 PolarHBondContact O-N 3.28Å; K204-L207 WeakPolarHBondContact O-CB 3.5Å; K204-L207 PolarHBondContact O-N 3.45Å; K205-L207 VanDerWaalsContact C-N 3.27Å; K205-L207 PolarHBondContact O-N 2.89Å; L207-T209 VanDerWaalsContact C-N 3.3Å; L207-T209 PolarHBondContact O-N 3.28Å; L207-I210 PolarHBondContact O-N 3.02Å; L207-Q211 WeakPolarHBondContact O-CG 3.35Å; L207-Q211 PolarHBondContact O-N 3.36Å; L207-Q211 VanDerWaalsContact O-N 3.1Å |
| 208 | T | 91.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -33.4 | 177.2 | -47.9 | 0 | 0 | 0 | 0 | 112 | K204 K205 Y206 Q211 L212 F253 F256 W257 Y261 | K204-T208 PolarHBondContact O-N 3.18Å; K205-T208 PolarHBondContact O-N 3.45Å; K205-T208 VanDerWaalsContact O-N 3.12Å; Y206-T208 PolarHBondContact O-N 3.4Å; T208-Q211 PolarHBondContact O-N 3.27Å; T208-L212 WeakPolarHBondContact O-CG 3.42Å; T208-L212 PolarHBondContact O-N 3.49Å; T208-F253 HydrophobicContact CG2-CD1 4.24Å; T208-F256 HydrophobicContact CG2-CD1 3.97Å; T208-F256 HydrophobicContact CG2-CE1 4.01Å; T208-W257 HydrophobicContact CG2-CE3 3.74Å; T208-W257 HydrophobicContact CG2-CZ3 4.23Å; T208-Y261 HydrophobicContact CG2-CE2 4.06Å; T208-Y261 PolarHBondContact OG1-OH 3.41Å |
| 209 | T | 93.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 58.1 Ų | 58.1 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 173.5 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | K205 Y206 L207 Q211 L212 I213 W257 | K205-T209 PolarHBondContact O-N 2.75Å; K205-T209 PolarHBondContact O-OG1 3.26Å; Y206-T209 WeakPolarHBondContact O-CB 3.05Å; Y206-T209 PolarHBondContact O-N 3.45Å; L207-T209 VanDerWaalsContact C-N 3.3Å; L207-T209 PolarHBondContact O-N 3.28Å; T209-Q211 VanDerWaalsContact C-N 3.31Å; T209-Q211 PolarHBondContact O-N 2.89Å; T209-L212 WeakPolarHBondContact O-CB 3.09Å; T209-L212 PolarHBondContact O-N 3.03Å; T209-I213 HydrophobicContact CG2-CD1 3.97Å; T209-I213 HydrophobicContact CG2-CG1 4.49Å; T209-I213 WeakPolarHBondContact O-CG1 3.33Å; T209-I213 PolarHBondContact O-N 2.85Å; T209-W257 VanDerWaalsContact OG1-CH2 3.31Å; T209-W257 WeakPolarHBondContact OG1-CH2 3.47Å; T209-W257 WeakPolarHBondContact OG1-CZ3 3.4Å |
| 210 | I | 95.8 | Very high | 92.9 | Very high | 60 Ų | 60 | 56.3 Ų | 56.3 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 177 | -71 | 167.1 | 0 | 0 | 0 | 110.9 | V180 I183 Y206 L207 L212 I213 Q214 | V180-I210 HydrophobicContact CG1-CG2 4.34Å; V180-I210 HydrophobicContact CG2-CG2 3.78Å; I183-I210 HydrophobicContact CD1-CD1 4.18Å; I183-I210 HydrophobicContact CD1-CG2 4.41Å; Y206-I210 WeakPolarHBondContact O-CG1 3.31Å; Y206-I210 PolarHBondContact O-N 3.06Å; L207-I210 PolarHBondContact O-N 3.02Å; I210-L212 PolarHBondContact O-N 3.42Å; I210-I213 PolarHBondContact O-N 3.31Å; I210-Q214 PolarHBondContact O-N 3.19Å |
| 211 | Q | 94.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 174.3 | -68.3 | 173.2 | -57 | 0 | 0 | 112.1 | V180 M184 L207 T208 T209 Q214 F215 F253 | V180-Q211 HydrophobicContact CG1-CG 3.67Å; M184-Q211 PolarHBondContact SD-NE2 3.44Å; M184-Q211 VanDerWaalsContact SD-NE2 3.43Å; L207-Q211 WeakPolarHBondContact O-CG 3.35Å; L207-Q211 PolarHBondContact O-N 3.36Å; L207-Q211 VanDerWaalsContact O-N 3.1Å; T208-Q211 PolarHBondContact O-N 3.27Å; T209-Q211 VanDerWaalsContact C-N 3.31Å; T209-Q211 PolarHBondContact O-N 2.89Å; Q211-Q214 WeakPolarHBondContact O-CB 3.45Å; Q211-Q214 PolarHBondContact O-N 2.87Å; Q211-F215 WeakPolarHBondContact O-CD2 3.33Å; Q211-F215 WeakPolarHBondContact O-CE2 3.39Å; Q211-F215 PolarHBondContact O-N 3.2Å; Q211-F253 HydrophobicContact CB-CD1 4.19Å; Q211-F253 HydrophobicContact CB-CE1 3.9Å; Q211-F253 HydrophobicContact CG-CE1 4.3Å |
| 212 | L | 94.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.12 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 175.2 | -73 | 167.7 | 0 | 0 | 0 | 111.9 | T208 T209 I210 Q214 F215 V216 L250 F253 L254 W257 | T208-L212 WeakPolarHBondContact O-CG 3.42Å; T208-L212 PolarHBondContact O-N 3.49Å; T209-L212 WeakPolarHBondContact O-CB 3.09Å; T209-L212 PolarHBondContact O-N 3.03Å; I210-L212 PolarHBondContact O-N 3.42Å; L212-Q214 VanDerWaalsContact C-N 3.27Å; L212-Q214 PolarHBondContact O-N 2.84Å; L212-F215 PolarHBondContact O-N 2.96Å; L212-V216 WeakPolarHBondContact O-CG2 3.17Å; L212-V216 PolarHBondContact O-N 3.02Å; L212-V216 VanDerWaalsContact O-N 3.13Å; L212-L250 HydrophobicContact CD2-CD1 3.84Å; L212-F253 HydrophobicContact CD2-CB 3.64Å; L212-F253 HydrophobicContact CG-CB 4.45Å; L212-L254 HydrophobicContact CD1-CD2 4.43Å; L212-L254 HydrophobicContact CD2-CD2 4.06Å; L212-L254 HydrophobicContact CD2-CG 4.11Å; L212-W257 HydrophobicContact CD1-CD2 4.46Å; L212-W257 HydrophobicContact CD1-CE3 3.83Å; L212-W257 HydrophobicContact CD1-CZ3 4.34Å |
| 213 | I | 96.1 | Very high | 93.7 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 46% | 0.456 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 175.5 | -69.1 | 167.7 | 0 | 0 | 0 | 110.3 | T209 I210 F215 V216 M217 | T209-I213 HydrophobicContact CG2-CD1 3.97Å; T209-I213 HydrophobicContact CG2-CG1 4.49Å; T209-I213 WeakPolarHBondContact O-CG1 3.33Å; T209-I213 PolarHBondContact O-N 2.85Å; I210-I213 PolarHBondContact O-N 3.31Å; I213-F215 PolarHBondContact O-N 3.24Å; I213-V216 PolarHBondContact O-N 2.66Å; I213-M217 HydrophobicContact CG2-CG 4.13Å; I213-M217 HydrophobicContact CG2-SD 3.83Å; I213-M217 WeakPolarHBondContact O-CG 3.46Å; I213-M217 PolarHBondContact O-N 3.35Å |
| 214 | Q | 96.8 | Very high | 93.9 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.9 | -49.4 | 175.4 | -169.9 | -153.5 | -65.7 | 0 | 0 | 111.6 | L176 V180 I210 Q211 L212 V216 M217 V218 | L176-Q214 HydrophobicContact CB-CG 4.02Å; V180-Q214 HydrophobicContact CG2-CB 4.03Å; V180-Q214 HydrophobicContact CG2-CG 3.97Å; I210-Q214 PolarHBondContact O-N 3.19Å; Q211-Q214 WeakPolarHBondContact O-CB 3.45Å; Q211-Q214 PolarHBondContact O-N 2.87Å; L212-Q214 VanDerWaalsContact C-N 3.27Å; L212-Q214 PolarHBondContact O-N 2.84Å; Q214-V216 VanDerWaalsContact C-N 3.32Å; Q214-V216 PolarHBondContact O-N 2.76Å; Q214-M217 PolarHBondContact O-N 3.25Å; Q214-V218 WeakPolarHBondContact O-CB 3.37Å; Q214-V218 VanDerWaalsContact O-CG2 3.28Å; Q214-V218 WeakPolarHBondContact O-CG2 3.49Å; Q214-V218 PolarHBondContact O-N 3.43Å |
| 215 | F | 92.8 | Very high | 94.2 | Very high | 16 Ų | 16 | 44.3 Ų | 44.3 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 179.6 | -62.4 | -55.2 | 0 | 0 | 0 | 112.4 | Q211 L212 I213 T219 F249 L250 F253 | Q211-F215 WeakPolarHBondContact O-CD2 3.33Å; Q211-F215 WeakPolarHBondContact O-CE2 3.39Å; Q211-F215 PolarHBondContact O-N 3.2Å; L212-F215 PolarHBondContact O-N 2.96Å; I213-F215 PolarHBondContact O-N 3.24Å; F215-T219 VanDerWaalsContact O-CB 3.32Å; F215-T219 WeakPolarHBondContact O-CB 3.31Å; F215-T219 PolarHBondContact O-N 3.33Å; F215-T219 PolarHBondContact O-OG1 3.17Å; F215-F249 HydrophobicContact CD1-CB 3.85Å; F215-F249 HydrophobicContact CD2-CB 4.46Å; F215-F249 HydrophobicContact CE1-CB 3.47Å; F215-F249 VanDerWaalsContact CE1-CB 3.47Å; F215-F249 HydrophobicContact CE1-CD2 4.23Å; F215-F249 HydrophobicContact CE1-CG 4.08Å; F215-F249 HydrophobicContact CE2-CB 4.14Å; F215-F249 HydrophobicContact CG-CB 4.35Å; F215-F249 HydrophobicContact CZ-CB 3.64Å; F215-F249 HydrophobicContact CZ-CG 4.32Å; F215-L250 HydrophobicContact CB-CB 4.26Å; F215-L250 HydrophobicContact CB-CD1 4.36Å; F215-F253 HydrophobicContact CD2-CD2 4.42Å; F215-F253 HydrophobicContact CD2-CG 4.46Å; F215-F253 HydrophobicContact CE2-CB 4.26Å; F215-F253 HydrophobicContact CE2-CD1 4.16Å; F215-F253 AromaticContact CE2-CD2 3.41Å; F215-F253 HydrophobicContact CE2-CD2 3.41Å; F215-F253 VanDerWaalsContact CE2-CD2 3.41Å; F215-F253 HydrophobicContact CE2-CE1 4.38Å; F215-F253 AromaticContact CE2-CE2 3.64Å; F215-F253 HydrophobicContact CE2-CE2 3.64Å; F215-F253 AromaticContact CE2-CG 3.68Å; F215-F253 HydrophobicContact CE2-CG 3.68Å; F215-F253 HydrophobicContact CE2-CZ 4.13Å; F215-F253 AromaticContact CZ-CD2 3.85Å; F215-F253 HydrophobicContact CZ-CD2 3.85Å; F215-F253 AromaticContact CZ-CE2 3.67Å; F215-F253 HydrophobicContact CZ-CE2 3.67Å; F215-F253 HydrophobicContact CZ-CZ 4.23Å |
| 216 | V | 95.8 | Very high | 94.3 | Very high | 74 Ų | 74 | 46 Ų | 46 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.8 | -51 | 174.5 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | L212 I213 Q214 V218 T219 T220 L250 | L212-V216 WeakPolarHBondContact O-CG2 3.17Å; L212-V216 PolarHBondContact O-N 3.02Å; L212-V216 VanDerWaalsContact O-N 3.13Å; I213-V216 PolarHBondContact O-N 2.66Å; Q214-V216 VanDerWaalsContact C-N 3.32Å; Q214-V216 PolarHBondContact O-N 2.76Å; V216-V218 VanDerWaalsContact C-N 3.35Å; V216-V218 PolarHBondContact O-N 3.36Å; V216-T219 PolarHBondContact O-N 3.13Å; V216-T220 WeakPolarHBondContact O-CB 3.41Å; V216-T220 PolarHBondContact O-N 2.93Å; V216-T220 PolarHBondContact O-OG1 2.97Å; V216-T220 VanDerWaalsContact O-OG1 3.06Å; V216-L250 HydrophobicContact CG2-CD1 4.37Å |
| 217 | M | 96.6 | Very high | 94.3 | Very high | 88 Ų | 88 | 47.5 Ų | 47.5 | 43% | 0.433 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 179.3 | -70.2 | 179 | 73.1 | 0 | 0 | 112.4 | L176 I213 Q214 T220 H221 | L176-M217 HydrophobicContact CD1-CB 3.73Å; L176-M217 HydrophobicContact CD1-CE 4.2Å; L176-M217 HydrophobicContact CD1-SD 4.37Å; L176-M217 HydrophobicContact CD2-CE 4.34Å; I213-M217 HydrophobicContact CG2-CG 4.13Å; I213-M217 HydrophobicContact CG2-SD 3.83Å; I213-M217 WeakPolarHBondContact O-CG 3.46Å; I213-M217 PolarHBondContact O-N 3.35Å; Q214-M217 PolarHBondContact O-N 3.25Å; M217-T220 PolarHBondContact O-N 3.36Å; M217-H221 WeakPolarHBondContact O-CB 3.19Å; M217-H221 PolarHBondContact O-N 3.14Å |
| 218 | V | 95.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 176.5 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | H173 L176 Q214 V216 H221 I222 I242 | H173-V218 HydrophobicContact CB-CB 4.19Å; H173-V218 HydrophobicContact CB-CG1 3.56Å; H173-V218 HydrophobicContact CB-CG2 3.49Å; H173-V218 VanDerWaalsContact CB-CG2 3.49Å; L176-V218 HydrophobicContact CD1-CG2 4.05Å; Q214-V218 WeakPolarHBondContact O-CB 3.37Å; Q214-V218 VanDerWaalsContact O-CG2 3.28Å; Q214-V218 WeakPolarHBondContact O-CG2 3.49Å; Q214-V218 PolarHBondContact O-N 3.43Å; V216-V218 VanDerWaalsContact C-N 3.35Å; V216-V218 PolarHBondContact O-N 3.36Å; V218-H221 PolarHBondContact O-N 2.82Å; V218-I222 WeakPolarHBondContact O-CB 3.44Å; V218-I222 WeakPolarHBondContact O-CG2 3.28Å; V218-I222 PolarHBondContact O-N 2.9Å; V218-I242 HydrophobicContact CG1-CG2 3.94Å |
| 219 | T | 94.1 | Very high | 94.1 | Very high | 30 Ų | 30 | 58.8 Ų | 58.8 | 18% | 0.184 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.9 | -39.2 | -179.9 | -53.1 | 0 | 0 | 0 | 0 | 111 | F215 V216 I222 S223 L247 | F215-T219 VanDerWaalsContact O-CB 3.32Å; F215-T219 WeakPolarHBondContact O-CB 3.31Å; F215-T219 PolarHBondContact O-N 3.33Å; F215-T219 PolarHBondContact O-OG1 3.17Å; V216-T219 PolarHBondContact O-N 3.13Å; T219-I222 WeakPolarHBondContact O-CG2 3.45Å; T219-S223 WeakPolarHBondContact O-CB 3.42Å; T219-S223 PolarHBondContact O-N 2.94Å; T219-S223 PolarHBondContact O-OG 3.48Å; T219-L247 HydrophobicContact CG2-CD2 4.32Å |
| 220 | T | 95.5 | Very high | 93.9 | Very high | 80 Ų | 80 | 63.7 Ų | 63.7 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.7 | -50 | 174.3 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | V216 M217 I222 S223 Q224 | V216-T220 WeakPolarHBondContact O-CB 3.41Å; V216-T220 PolarHBondContact O-N 2.93Å; V216-T220 PolarHBondContact O-OG1 2.97Å; V216-T220 VanDerWaalsContact O-OG1 3.06Å; M217-T220 PolarHBondContact O-N 3.36Å; T220-I222 PolarHBondContact O-N 3.48Å; T220-S223 PolarHBondContact O-N 2.96Å; T220-S223 PolarHBondContact O-OG 3Å; T220-Q224 PolarHBondContact O-N 2.9Å |
| 221 | H | 96.5 | Very high | 93.8 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 7% | 0.074 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.3 | -50.8 | 179.2 | 174.9 | -89.8 | 0 | 0 | 0 | 112.1 | W91 L169 F172 M217 V218 S223 Q224 | W91-H221 AromaticContact CH2-CE1 3.92Å; W91-H221 AromaticContact CH2-NE2 3.71Å; L169-H221 PolarHBondContact O-CE1 3.06Å; F172-H221 VanDerWaalsContact CB-CE1 3.44Å; F172-H221 WeakPolarHBondContact CB-CE1 3.1Å; F172-H221 HydrophobicContact CD1-CB 3.48Å; F172-H221 VanDerWaalsContact CD1-CB 3.48Å; F172-H221 AromaticContact CD1-CD2 3.84Å; F172-H221 AromaticContact CD1-CG 3.33Å; F172-H221 AromaticContact CD1-ND1 3.53Å; F172-H221 HydrophobicContact CE1-CB 3.47Å; F172-H221 VanDerWaalsContact CE1-CB 3.47Å; F172-H221 AromaticContact CE1-CG 3.72Å; F172-H221 HydrophobicContact CG-CB 4.34Å; F172-H221 AromaticContact CG-CD2 3.83Å; F172-H221 AromaticContact CG-CE1 3.75Å; F172-H221 AromaticContact CG-CG 3.7Å; F172-H221 AromaticContact CG-ND1 3.66Å; F172-H221 AromaticContact CG-NE2 3.84Å; F172-H221 HydrophobicContact CZ-CB 4.35Å; M217-H221 WeakPolarHBondContact O-CB 3.19Å; M217-H221 PolarHBondContact O-N 3.14Å; V218-H221 PolarHBondContact O-N 2.82Å; H221-S223 VanDerWaalsContact C-N 3.25Å; H221-S223 PolarHBondContact O-N 2.84Å; H221-Q224 WeakPolarHBondContact O-CB 3.34Å; H221-Q224 WeakPolarHBondContact O-CG 3.24Å; H221-Q224 PolarHBondContact O-N 3.31Å; H221-Q224 PolarHBondContact O-OE1 3.34Å |
| 222 | I | 94.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.6 | -29.6 | -178.6 | -152.9 | 65.1 | 0 | 0 | 0 | 112.2 | L169 V218 T219 T220 Q224 Y225 I239 I242 | L169-I222 HydrophobicContact CD1-CD1 3.62Å; V218-I222 WeakPolarHBondContact O-CB 3.44Å; V218-I222 WeakPolarHBondContact O-CG2 3.28Å; V218-I222 PolarHBondContact O-N 2.9Å; T219-I222 WeakPolarHBondContact O-CG2 3.45Å; T220-I222 PolarHBondContact O-N 3.48Å; I222-Q224 PolarHBondContact O-N 2.88Å; I222-Y225 WeakPolarHBondContact O-CB 3.24Å; I222-Y225 PolarHBondContact O-N 3.32Å; I222-I239 HydrophobicContact CD1-CB 4.37Å; I222-I239 HydrophobicContact CD1-CD1 3.65Å; I222-I239 HydrophobicContact CD1-CG2 3.94Å; I222-I239 HydrophobicContact CG1-CB 4.35Å; I222-I239 HydrophobicContact CG1-CG2 3.63Å; I222-I242 HydrophobicContact CB-CG2 4.11Å; I222-I242 HydrophobicContact CD1-CB 4.26Å; I222-I242 HydrophobicContact CD1-CD1 4.11Å; I222-I242 HydrophobicContact CD1-CG2 4.06Å; I222-I242 HydrophobicContact CG1-CB 4Å; I222-I242 HydrophobicContact CG1-CG2 3.78Å; I222-I242 HydrophobicContact CG2-CG2 4.32Å |
| 223 | S | 93.7 | Very high | 93.8 | Very high | 39 Ų | 39 | 64.3 Ų | 64.3 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.9 | -23.5 | 177.4 | 73.5 | 0 | 0 | 0 | 0 | 113.7 | T219 T220 H221 Y225 F226 F227 | T219-S223 WeakPolarHBondContact O-CB 3.42Å; T219-S223 PolarHBondContact O-N 2.94Å; T219-S223 PolarHBondContact O-OG 3.48Å; T220-S223 PolarHBondContact O-N 2.96Å; T220-S223 PolarHBondContact O-OG 3Å; H221-S223 VanDerWaalsContact C-N 3.25Å; H221-S223 PolarHBondContact O-N 2.84Å; S223-Y225 PolarHBondContact O-N 2.88Å; S223-F226 WeakPolarHBondContact O-CD2 3.42Å; S223-F226 PolarHBondContact O-N 3.34Å; S223-F226 VanDerWaalsContact O-N 3.08Å; S223-F227 VanDerWaalsContact O-CD2 3.26Å; S223-F227 WeakPolarHBondContact O-CD2 3.37Å |
| 224 | Q | 94.6 | Very high | 93.7 | Very high | 53 Ų | 53 | 63.6 Ų | 63.6 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -57.2 | -33.4 | 177.3 | -61.7 | 173.2 | -100.5 | 0 | 0 | 111.3 | H98 T220 H221 I222 F226 F227 M228 | H98-Q224 PolarHBondContact CD2-NE2 3.44Å; H98-Q224 VanDerWaalsContact CD2-NE2 3.31Å; H98-Q224 PolarHBondContact NE2-NE2 3.28Å; T220-Q224 PolarHBondContact O-N 2.9Å; H221-Q224 WeakPolarHBondContact O-CB 3.34Å; H221-Q224 WeakPolarHBondContact O-CG 3.24Å; H221-Q224 PolarHBondContact O-N 3.31Å; H221-Q224 PolarHBondContact O-OE1 3.34Å; I222-Q224 PolarHBondContact O-N 2.88Å; Q224-F226 PolarHBondContact O-N 2.86Å; Q224-F227 PolarHBondContact O-N 3.36Å; Q224-M228 HydrophobicContact CB-CE 3.47Å; Q224-M228 VanDerWaalsContact CB-CE 3.47Å; Q224-M228 WeakPolarHBondContact O-CG 3.37Å; Q224-M228 PolarHBondContact O-N 3.39Å |
| 225 | Y | 93.5 | Very high | 93.6 | Very high | 43 Ų | 43 | 64.8 Ų | 64.8 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -52.1 | -38 | 176.7 | -178.9 | -94.5 | 0 | 0 | 0 | 113 | I222 S223 F227 M228 C231 P236 I239 | I222-Y225 WeakPolarHBondContact O-CB 3.24Å; I222-Y225 PolarHBondContact O-N 3.32Å; S223-Y225 PolarHBondContact O-N 2.88Å; Y225-F227 PolarHBondContact O-N 3.28Å; Y225-M228 PolarHBondContact O-N 3.46Å; Y225-C231 HydrophobicContact CD2-CB 4.32Å; Y225-C231 HydrophobicContact CE2-CB 4.22Å; Y225-P236 HydrophobicContact CE1-CB 4.43Å; Y225-P236 WeakPolarHBondContact OH-CB 3.35Å; Y225-P236 WeakPolarHBondContact OH-CG 3.44Å; Y225-I239 HydrophobicContact CD1-CB 4.37Å; Y225-I239 HydrophobicContact CD1-CG1 4.36Å; Y225-I239 HydrophobicContact CD1-CG2 3.72Å; Y225-I239 HydrophobicContact CD2-CG1 4.29Å; Y225-I239 HydrophobicContact CE2-CG1 4.48Å; Y225-I239 HydrophobicContact CG-CG1 4.23Å; Y225-I239 HydrophobicContact CG-CG2 3.78Å |
| 226 | F | 90.9 | Very high | 93.6 | Very high | 108 Ų | 108 | 66.2 Ų | 66.2 | 47% | 0.474 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -71.2 | -14.1 | -179.6 | -59.3 | -62.2 | 0 | 0 | 0 | 114 | S223 Q224 I239 Y240 | S223-F226 WeakPolarHBondContact O-CD2 3.42Å; S223-F226 PolarHBondContact O-N 3.34Å; S223-F226 VanDerWaalsContact O-N 3.08Å; Q224-F226 PolarHBondContact O-N 2.86Å; F226-I239 HydrophobicContact CZ-CG2 4.34Å; F226-Y240 HydrophobicContact CE1-CD1 4.07Å; F226-Y240 AromaticContact CE1-CE1 3.49Å; F226-Y240 HydrophobicContact CE1-CE1 3.49Å; F226-Y240 VanDerWaalsContact CE1-CE1 3.49Å; F226-Y240 AromaticContact CE1-CZ 3.98Å; F226-Y240 HydrophobicContact CZ-CD1 4.02Å; F226-Y240 AromaticContact CZ-CE1 3.93Å; F226-Y240 HydrophobicContact CZ-CE1 3.93Å |
| 227 | F | 93.3 | Very high | 93.5 | Very high | 171 Ų | 171 | 67.4 Ų | 67.4 | 75% | 0.75 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -108.4 | -6.2 | 179.3 | -55.6 | -74.5 | 0 | 0 | 0 | 112.5 | S223 Q224 Y225 | S223-F227 VanDerWaalsContact O-CD2 3.26Å; S223-F227 WeakPolarHBondContact O-CD2 3.37Å; Q224-F227 PolarHBondContact O-N 3.36Å; Y225-F227 PolarHBondContact O-N 3.28Å |
| 228 | M | 91.9 | Very high | 93.4 | Very high | 49 Ų | 49 | 64.5 Ų | 64.5 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | trans | -83.1 | 122.3 | 174.8 | -67.3 | 175.9 | -159.8 | 0 | 0 | 109.8 | H98 C99 Q224 Y225 C231 | H98-M228 HydrophobicContact CB-CE 3.83Å; C99-M228 HydrophobicContact CB-SD 3.65Å; Q224-M228 HydrophobicContact CB-CE 3.47Å; Q224-M228 VanDerWaalsContact CB-CE 3.47Å; Q224-M228 WeakPolarHBondContact O-CG 3.37Å; Q224-M228 PolarHBondContact O-N 3.39Å; Y225-M228 PolarHBondContact O-N 3.46Å; M228-C231 HydrophobicContact CB-CB 3.85Å; M228-C231 HydrophobicContact SD-CB 3.98Å | ||
| 229 | K | 86.3 | Confident | 93.3 | Very high | 198 Ų | 198 | 64 Ų | 64 | 86% | 0.861 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -72.7 | -36.8 | -178.9 | -67.5 | -175.5 | 178.3 | -179.2 | 0 | 113 | ||
| 230 | D | 89.4 | Confident | 93.3 | Very high | 152 Ų | 152 | 68.8 Ų | 68.8 | 81% | 0.813 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -131.2 | 54.7 | -169.2 | -56.1 | -60.1 | 0 | 0 | 0 | 111.3 | P232 | D230-P232 VanDerWaalsContact O-CD 3.29Å; D230-P232 WeakPolarHBondContact O-CD 3.47Å |
| 231 | C | 93.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | trans | -101.9 | 101.1 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | C99 Y225 M228 Y233 | C99-C231 HydrophobicContact CB-CB 3.81Å; C99-C231 WeakPolarHBondContact CB-SG 3.47Å; C99-C231 WeakPolarHBondContact SG-CA 3.22Å; C99-C231 WeakPolarHBondContact SG-CB 3.44Å; C99-C231 CovalentContact SG-SG 2.03Å; C99-C231 PolarHBondContact SG-SG 3.05Å; Y225-C231 HydrophobicContact CD2-CB 4.32Å; Y225-C231 HydrophobicContact CE2-CB 4.22Å; M228-C231 HydrophobicContact CB-CB 3.85Å; M228-C231 HydrophobicContact SD-CB 3.98Å; C231-Y233 PolarHBondContact O-N 3.31Å | ||
| 232 | P | 94.9 | Very high | 93.2 | Very high | 92 Ų | 92 | 67.7 Ų | 67.7 | 60% | 0.597 | 33% | 0.329 | S | S | * | . | trans | -83.2 | 46.6 | -176.9 | 36.5 | -37.8 | 0 | 0 | 0 | 112.1 | L101 D230 Q234 | L101-P232 HydrophobicContact CD1-CG 3.92Å; L101-P232 HydrophobicContact CD2-CG 4.15Å; D230-P232 VanDerWaalsContact O-CD 3.29Å; D230-P232 WeakPolarHBondContact O-CD 3.47Å; P232-Q234 PolarHBondContact O-N 3.43Å | ||
| 233 | Y | 93.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 68.1 Ų | 68.1 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | trans | -62.2 | 126.5 | 176.4 | -172.9 | -105.8 | 0 | 0 | 0 | 110 | L101 V102 L169 C231 F235 P236 I239 | L101-Y233 HydrophobicContact CD2-CD2 4.46Å; V102-Y233 HydrophobicContact CG2-CE2 3.92Å; L169-Y233 HydrophobicContact CD2-CD2 3.86Å; L169-Y233 HydrophobicContact CD2-CE2 4.4Å; L169-Y233 HydrophobicContact CD2-CG 4.19Å; L169-Y233 HydrophobicContact CG-CD2 3.93Å; L169-Y233 HydrophobicContact CG-CE2 3.96Å; L169-Y233 HydrophobicContact CG-CG 4.49Å; C231-Y233 PolarHBondContact O-N 3.31Å; Y233-F235 VanDerWaalsContact C-N 3.25Å; Y233-F235 HydrophobicContact CE1-CB 4.36Å; Y233-F235 VanDerWaalsContact CE1-O 3.24Å; Y233-F235 WeakPolarHBondContact CE1-O 3.33Å; Y233-F235 PolarHBondContact O-N 2.96Å; Y233-P236 WeakPolarHBondContact O-CD 3.35Å; Y233-I239 HydrophobicContact CD1-CD1 3.75Å; Y233-I239 HydrophobicContact CD1-CG1 3.96Å; Y233-I239 HydrophobicContact CE1-CD1 3.61Å; Y233-I239 HydrophobicContact CE1-CG1 4.16Å; Y233-I239 HydrophobicContact CG-CD1 4.48Å | ||
| 234 | Q | 94.4 | Very high | 93.2 | Very high | 73 Ų | 73 | 71 Ų | 71 | 34% | 0.341 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -67.4 | -26.1 | -163.1 | -60.3 | 94.9 | -30.7 | 0 | 0 | 113.3 | V102 Y104 P232 | V102-Q234 PolarHBondContact O-NE2 3.31Å; Y104-Q234 HydrophobicContact CE2-CB 4.27Å; Y104-Q234 HydrophobicContact CE2-CG 3.89Å; P232-Q234 PolarHBondContact O-N 3.43Å |
| 235 | F | 94.3 | Very high | 93.2 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 18% | 0.18 | 34% | 0.342 | C | S | . | . | trans | -132.4 | 75.2 | -177.4 | -68.3 | -83.6 | 0 | 0 | 0 | 112.4 | N20 Y104 F164 A165 Y233 I237 F238 | N20-F235 HydrophobicContact CB-CE1 4.47Å; N20-F235 HydrophobicContact CB-CZ 4.39Å; Y104-F235 WeakPolarHBondContact OH-CD2 3.21Å; Y104-F235 VanDerWaalsContact OH-CE2 3.24Å; Y104-F235 WeakPolarHBondContact OH-CE2 3.49Å; F164-F235 HydrophobicContact CB-CD1 4.39Å; F164-F235 HydrophobicContact CB-CD2 4.5Å; F164-F235 HydrophobicContact CB-CE1 4.11Å; F164-F235 HydrophobicContact CB-CE2 4.24Å; F164-F235 HydrophobicContact CB-CZ 4.03Å; F164-F235 AromaticContact CD1-CE1 3.95Å; F164-F235 HydrophobicContact CD1-CE1 3.95Å; F164-F235 HydrophobicContact CD1-CZ 4.06Å; F164-F235 HydrophobicContact CG-CE1 4.42Å; F164-F235 WeakPolarHBondContact O-CE2 3.12Å; A165-F235 HydrophobicContact CB-CB 4.36Å; A165-F235 HydrophobicContact CB-CD2 3.93Å; A165-F235 HydrophobicContact CB-CG 4.43Å; Y233-F235 VanDerWaalsContact C-N 3.25Å; Y233-F235 HydrophobicContact CE1-CB 4.36Å; Y233-F235 VanDerWaalsContact CE1-O 3.24Å; Y233-F235 WeakPolarHBondContact CE1-O 3.33Å; Y233-F235 PolarHBondContact O-N 2.96Å; F235-I237 PolarHBondContact O-N 3Å; F235-F238 HydrophobicContact CB-CD2 3.45Å; F235-F238 VanDerWaalsContact CB-CD2 3.45Å; F235-F238 HydrophobicContact CB-CE2 3.69Å; F235-F238 HydrophobicContact CD1-CE2 4.37Å; F235-F238 HydrophobicContact CG-CD2 4.26Å; F235-F238 HydrophobicContact CG-CE2 4.01Å; F235-F238 PolarHBondContact O-N 3.4Å; F235-F238 VanDerWaalsContact O-N 3.11Å | ||
| 236 | P | 93.1 | Very high | 93.2 | Very high | 47 Ų | 47 | 68.4 Ų | 68.4 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.1 | -26.3 | -178.2 | -27.2 | 36.9 | 0 | 0 | 0 | 114.1 | Y225 Y233 F238 I239 Y240 | Y225-P236 HydrophobicContact CE1-CB 4.43Å; Y225-P236 WeakPolarHBondContact OH-CB 3.35Å; Y225-P236 WeakPolarHBondContact OH-CG 3.44Å; Y233-P236 WeakPolarHBondContact O-CD 3.35Å; P236-F238 PolarHBondContact O-N 2.87Å; P236-I239 WeakPolarHBondContact O-CB 3.23Å; P236-I239 WeakPolarHBondContact O-CG1 3.44Å; P236-I239 PolarHBondContact O-N 3.3Å; P236-Y240 HydrophobicContact CB-CE2 4.36Å; P236-Y240 WeakPolarHBondContact O-CD2 3.28Å; P236-Y240 PolarHBondContact O-N 3.39Å |
| 237 | I | 94.1 | Very high | 93.3 | Very high | 99 Ų | 99 | 68.1 Ų | 68.1 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53.6 | -37.6 | 176.7 | -171.4 | 57.9 | 0 | 0 | 0 | 112.9 | F235 I239 Y240 I241 | F235-I237 PolarHBondContact O-N 3Å; I237-I239 VanDerWaalsContact C-N 3.26Å; I237-I239 PolarHBondContact O-N 2.91Å; I237-Y240 PolarHBondContact O-N 3.37Å; I237-I241 HydrophobicContact CG1-CD1 4.06Å; I237-I241 WeakPolarHBondContact O-CG1 3.36Å; I237-I241 PolarHBondContact O-N 2.96Å; I237-I241 VanDerWaalsContact O-N 3.07Å |
| 238 | F | 94.8 | Very high | 93.3 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 11% | 0.114 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.6 | -28.3 | 178.8 | -66.7 | -55.1 | 0 | 0 | 0 | 112.5 | F160 F164 A165 F235 P236 I241 I242 | F160-F238 HydrophobicContact CB-CE1 3.74Å; F160-F238 HydrophobicContact CB-CZ 3.96Å; F160-F238 VanDerWaalsContact O-CZ 3.31Å; F160-F238 WeakPolarHBondContact O-CZ 3.12Å; F164-F238 HydrophobicContact CB-CE2 3.84Å; F164-F238 HydrophobicContact CB-CZ 3.97Å; A165-F238 HydrophobicContact CB-CD2 3.69Å; A165-F238 HydrophobicContact CB-CE2 3.66Å; F235-F238 HydrophobicContact CB-CD2 3.45Å; F235-F238 VanDerWaalsContact CB-CD2 3.45Å; F235-F238 HydrophobicContact CB-CE2 3.69Å; F235-F238 HydrophobicContact CD1-CE2 4.37Å; F235-F238 HydrophobicContact CG-CD2 4.26Å; F235-F238 HydrophobicContact CG-CE2 4.01Å; F235-F238 PolarHBondContact O-N 3.4Å; F235-F238 VanDerWaalsContact O-N 3.11Å; P236-F238 PolarHBondContact O-N 2.87Å; F238-I241 HydrophobicContact CD1-CD1 4.26Å; F238-I241 PolarHBondContact O-N 2.79Å; F238-I242 WeakPolarHBondContact O-CB 3.24Å; F238-I242 WeakPolarHBondContact O-CD1 3.24Å; F238-I242 WeakPolarHBondContact O-CG1 3.45Å; F238-I242 PolarHBondContact O-N 2.92Å |
| 239 | I | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 176.3 | -49.5 | -47.9 | 0 | 0 | 0 | 110 | L169 I222 Y225 F226 Y233 P236 I237 I242 G243 | L169-I239 HydrophobicContact CD1-CD1 3.28Å; L169-I239 HydrophobicContact CG-CD1 4.33Å; I222-I239 HydrophobicContact CD1-CB 4.37Å; I222-I239 HydrophobicContact CD1-CD1 3.65Å; I222-I239 HydrophobicContact CD1-CG2 3.94Å; I222-I239 HydrophobicContact CG1-CB 4.35Å; I222-I239 HydrophobicContact CG1-CG2 3.63Å; Y225-I239 HydrophobicContact CD1-CB 4.37Å; Y225-I239 HydrophobicContact CD1-CG1 4.36Å; Y225-I239 HydrophobicContact CD1-CG2 3.72Å; Y225-I239 HydrophobicContact CD2-CG1 4.29Å; Y225-I239 HydrophobicContact CE2-CG1 4.48Å; Y225-I239 HydrophobicContact CG-CG1 4.23Å; Y225-I239 HydrophobicContact CG-CG2 3.78Å; F226-I239 HydrophobicContact CZ-CG2 4.34Å; Y233-I239 HydrophobicContact CD1-CD1 3.75Å; Y233-I239 HydrophobicContact CD1-CG1 3.96Å; Y233-I239 HydrophobicContact CE1-CD1 3.61Å; Y233-I239 HydrophobicContact CE1-CG1 4.16Å; Y233-I239 HydrophobicContact CG-CD1 4.48Å; P236-I239 WeakPolarHBondContact O-CB 3.23Å; P236-I239 WeakPolarHBondContact O-CG1 3.44Å; P236-I239 PolarHBondContact O-N 3.3Å; I237-I239 VanDerWaalsContact C-N 3.26Å; I237-I239 PolarHBondContact O-N 2.91Å; I239-I242 PolarHBondContact O-N 3.48Å; I239-G243 PolarHBondContact O-N 3.33Å |
| 240 | Y | 94.1 | Very high | 93.7 | Very high | 129 Ų | 129 | 52.9 Ų | 52.9 | 51% | 0.506 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 175.9 | -62.8 | -77.7 | 0 | 0 | 0 | 111.8 | F226 P236 I237 G243 L244 | F226-Y240 HydrophobicContact CE1-CD1 4.07Å; F226-Y240 AromaticContact CE1-CE1 3.49Å; F226-Y240 HydrophobicContact CE1-CE1 3.49Å; F226-Y240 VanDerWaalsContact CE1-CE1 3.49Å; F226-Y240 AromaticContact CE1-CZ 3.98Å; F226-Y240 HydrophobicContact CZ-CD1 4.02Å; F226-Y240 AromaticContact CZ-CE1 3.93Å; F226-Y240 HydrophobicContact CZ-CE1 3.93Å; P236-Y240 HydrophobicContact CB-CE2 4.36Å; P236-Y240 WeakPolarHBondContact O-CD2 3.28Å; P236-Y240 PolarHBondContact O-N 3.39Å; I237-Y240 PolarHBondContact O-N 3.37Å; Y240-G243 PolarHBondContact O-N 2.91Å; Y240-L244 VanDerWaalsContact O-CB 3.27Å; Y240-L244 WeakPolarHBondContact O-CB 3.5Å; Y240-L244 PolarHBondContact O-N 3Å |
| 241 | I | 95.6 | Very high | 93.9 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.5 | -48.3 | 177.7 | -67.6 | 168.3 | 0 | 0 | 0 | 110.9 | I237 F238 G243 L244 Y245 | I237-I241 HydrophobicContact CG1-CD1 4.06Å; I237-I241 WeakPolarHBondContact O-CG1 3.36Å; I237-I241 PolarHBondContact O-N 2.96Å; I237-I241 VanDerWaalsContact O-N 3.07Å; F238-I241 HydrophobicContact CD1-CD1 4.26Å; F238-I241 PolarHBondContact O-N 2.79Å; I241-G243 PolarHBondContact O-N 3.02Å; I241-L244 PolarHBondContact O-N 3.27Å; I241-Y245 HydrophobicContact CG2-CD1 4.48Å; I241-Y245 HydrophobicContact CG2-CD2 4.29Å; I241-Y245 HydrophobicContact CG2-CE1 4.31Å; I241-Y245 HydrophobicContact CG2-CE2 4.13Å; I241-Y245 HydrophobicContact CG2-CG 4.47Å; I241-Y245 WeakPolarHBondContact O-CB 3.37Å; I241-Y245 PolarHBondContact O-N 2.91Å |
| 242 | I | 94.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 53 Ų | 53 | 11% | 0.113 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 178.9 | -69.1 | 163 | 0 | 0 | 0 | 110.3 | V218 I222 F238 I239 Y245 G246 | V218-I242 HydrophobicContact CG1-CG2 3.94Å; I222-I242 HydrophobicContact CB-CG2 4.11Å; I222-I242 HydrophobicContact CD1-CB 4.26Å; I222-I242 HydrophobicContact CD1-CD1 4.11Å; I222-I242 HydrophobicContact CD1-CG2 4.06Å; I222-I242 HydrophobicContact CG1-CB 4Å; I222-I242 HydrophobicContact CG1-CG2 3.78Å; I222-I242 HydrophobicContact CG2-CG2 4.32Å; F238-I242 WeakPolarHBondContact O-CB 3.24Å; F238-I242 WeakPolarHBondContact O-CD1 3.24Å; F238-I242 WeakPolarHBondContact O-CG1 3.45Å; F238-I242 PolarHBondContact O-N 2.92Å; I239-I242 PolarHBondContact O-N 3.48Å; I242-Y245 PolarHBondContact O-N 3.48Å; I242-G246 PolarHBondContact O-N 2.67Å |
| 243 | G | 93.4 | Very high | 93.7 | Very high | 13 Ų | 13 | 49.7 Ų | 49.7 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I239 Y240 I241 Y245 G246 L247 | I239-G243 PolarHBondContact O-N 3.33Å; Y240-G243 PolarHBondContact O-N 2.91Å; I241-G243 PolarHBondContact O-N 3.02Å; G243-Y245 PolarHBondContact O-N 2.75Å; G243-G246 PolarHBondContact O-N 2.87Å; G243-L247 WeakPolarHBondContact O-CG 3.32Å; G243-L247 PolarHBondContact O-N 2.93Å; G243-L247 VanDerWaalsContact O-N 3.13Å |
| 244 | L | 94.8 | Very high | 93.7 | Very high | 98 Ų | 98 | 53.5 Ų | 53.5 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 176.5 | 178.1 | 62.8 | 0 | 0 | 0 | 111.6 | Y240 I241 L247 I248 | Y240-L244 VanDerWaalsContact O-CB 3.27Å; Y240-L244 WeakPolarHBondContact O-CB 3.5Å; Y240-L244 PolarHBondContact O-N 3Å; I241-L244 PolarHBondContact O-N 3.27Å; L244-L247 PolarHBondContact O-N 3.15Å; L244-I248 HydrophobicContact CD1-CD1 4.05Å; L244-I248 HydrophobicContact CD1-CG1 4.34Å; L244-I248 HydrophobicContact CD2-CD1 4.48Å; L244-I248 HydrophobicContact CG-CD1 3.85Å; L244-I248 WeakPolarHBondContact O-CG1 3.4Å; L244-I248 PolarHBondContact O-N 2.83Å |
| 245 | Y | 94.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -38 | -179.8 | -77.5 | 13.8 | 0 | 0 | 0 | 111.8 | I153 T157 I241 I242 G243 L247 I248 F249 | I153-Y245 WeakPolarHBondContact CD1-OH 3.48Å; I153-Y245 HydrophobicContact CG1-CE2 3.78Å; I153-Y245 WeakPolarHBondContact CG1-OH 3.35Å; I153-Y245 HydrophobicContact CG2-CE2 4.44Å; T157-Y245 HydrophobicContact CG2-CE2 3.61Å; T157-Y245 WeakPolarHBondContact CG2-OH 3.45Å; I241-Y245 HydrophobicContact CG2-CD1 4.48Å; I241-Y245 HydrophobicContact CG2-CD2 4.29Å; I241-Y245 HydrophobicContact CG2-CE1 4.31Å; I241-Y245 HydrophobicContact CG2-CE2 4.13Å; I241-Y245 HydrophobicContact CG2-CG 4.47Å; I241-Y245 WeakPolarHBondContact O-CB 3.37Å; I241-Y245 PolarHBondContact O-N 2.91Å; I242-Y245 PolarHBondContact O-N 3.48Å; G243-Y245 PolarHBondContact O-N 2.75Å; Y245-L247 VanDerWaalsContact C-N 3.29Å; Y245-L247 PolarHBondContact O-N 3.35Å; Y245-I248 HydrophobicContact CD1-CD1 4.3Å; Y245-I248 PolarHBondContact O-N 2.8Å; Y245-F249 HydrophobicContact CD2-CE2 4.38Å; Y245-F249 HydrophobicContact CG-CE2 4.44Å; Y245-F249 WeakPolarHBondContact O-CB 3.39Å; Y245-F249 WeakPolarHBondContact O-CD2 3.44Å; Y245-F249 PolarHBondContact O-N 3.21Å |
| 246 | G | 92 | Very high | 93.4 | Very high | 4 Ų | 4 | 54 Ų | 54 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -53.1 | -47.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I242 G243 L250 | I242-G246 PolarHBondContact O-N 2.67Å; G243-G246 PolarHBondContact O-N 2.87Å; G246-L250 WeakPolarHBondContact O-CB 3.47Å; G246-L250 PolarHBondContact O-N 2.94Å |
| 247 | L | 92.6 | Very high | 93.3 | Very high | 102 Ų | 102 | 54.9 Ų | 54.9 | 53% | 0.534 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 177.5 | -65.6 | 175.8 | 0 | 0 | 0 | 113.1 | T219 G243 L244 Y245 L250 F251 | T219-L247 HydrophobicContact CG2-CD2 4.32Å; G243-L247 WeakPolarHBondContact O-CG 3.32Å; G243-L247 PolarHBondContact O-N 2.93Å; G243-L247 VanDerWaalsContact O-N 3.13Å; L244-L247 PolarHBondContact O-N 3.15Å; Y245-L247 VanDerWaalsContact C-N 3.29Å; Y245-L247 PolarHBondContact O-N 3.35Å; L247-L250 PolarHBondContact O-N 3.26Å; L247-F251 PolarHBondContact O-N 2.99Å |
| 248 | I | 94.5 | Very high | 93.2 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 178.5 | -70.3 | 169.6 | 0 | 0 | 0 | 110.3 | Y149 L244 Y245 F251 L252 | Y149-I248 HydrophobicContact CE1-CG2 3.83Å; L244-I248 HydrophobicContact CD1-CD1 4.05Å; L244-I248 HydrophobicContact CD1-CG1 4.34Å; L244-I248 HydrophobicContact CD2-CD1 4.48Å; L244-I248 HydrophobicContact CG-CD1 3.85Å; L244-I248 WeakPolarHBondContact O-CG1 3.4Å; L244-I248 PolarHBondContact O-N 2.83Å; Y245-I248 HydrophobicContact CD1-CD1 4.3Å; Y245-I248 PolarHBondContact O-N 2.8Å; I248-F251 PolarHBondContact O-N 3.11Å; I248-L252 HydrophobicContact CG2-CD1 3.82Å; I248-L252 HydrophobicContact CG2-CG 4.38Å; I248-L252 VanDerWaalsContact O-CG 3.31Å; I248-L252 WeakPolarHBondContact O-CG 3.22Å; I248-L252 PolarHBondContact O-N 2.91Å |
| 249 | F | 92.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.7 | -36.9 | -179.1 | -69.9 | -53.8 | 0 | 0 | 0 | 112.2 | Y149 H150 I153 M154 F215 Y245 F251 L252 F253 | Y149-F249 AromaticContact CD1-CE1 3.93Å; Y149-F249 HydrophobicContact CD1-CE1 3.93Å; Y149-F249 HydrophobicContact CD1-CZ 4.47Å; Y149-F249 AromaticContact CE1-CE1 3.97Å; Y149-F249 HydrophobicContact CE1-CE1 3.97Å; Y149-F249 HydrophobicContact CE1-CZ 4.22Å; H150-F249 HydrophobicContact CB-CE1 3.82Å; H150-F249 HydrophobicContact CB-CZ 4.3Å; H150-F249 AromaticContact CD2-CE1 3.68Å; H150-F249 AromaticContact CD2-CZ 3.69Å; I153-F249 HydrophobicContact CG2-CZ 3.87Å; M154-F249 HydrophobicContact CG-CZ 4.43Å; M154-F249 HydrophobicContact SD-CE2 3.79Å; M154-F249 HydrophobicContact SD-CZ 4.03Å; F215-F249 HydrophobicContact CD1-CB 3.85Å; F215-F249 HydrophobicContact CD2-CB 4.46Å; F215-F249 HydrophobicContact CE1-CB 3.47Å; F215-F249 VanDerWaalsContact CE1-CB 3.47Å; F215-F249 HydrophobicContact CE1-CD2 4.23Å; F215-F249 HydrophobicContact CE1-CG 4.08Å; F215-F249 HydrophobicContact CE2-CB 4.14Å; F215-F249 HydrophobicContact CG-CB 4.35Å; F215-F249 HydrophobicContact CZ-CB 3.64Å; F215-F249 HydrophobicContact CZ-CG 4.32Å; Y245-F249 HydrophobicContact CD2-CE2 4.38Å; Y245-F249 HydrophobicContact CG-CE2 4.44Å; Y245-F249 WeakPolarHBondContact O-CB 3.39Å; Y245-F249 WeakPolarHBondContact O-CD2 3.44Å; Y245-F249 PolarHBondContact O-N 3.21Å; F249-F251 VanDerWaalsContact C-N 3.33Å; F249-F251 PolarHBondContact O-N 3.42Å; F249-L252 HydrophobicContact CD1-CD1 4.33Å; F249-L252 PolarHBondContact O-N 3.39Å; F249-F253 WeakPolarHBondContact O-CB 3.16Å; F249-F253 VanDerWaalsContact O-CD2 3.32Å; F249-F253 WeakPolarHBondContact O-CD2 3.46Å; F249-F253 PolarHBondContact O-N 3.42Å |
| 250 | L | 93 | Very high | 92.6 | Very high | 40 Ų | 40 | 57.2 Ų | 57.2 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.3 | -49 | 172.4 | -178.6 | 62.4 | 0 | 0 | 0 | 110.9 | L212 F215 V216 G246 L247 F253 L254 | L212-L250 HydrophobicContact CD2-CD1 3.84Å; F215-L250 HydrophobicContact CB-CB 4.26Å; F215-L250 HydrophobicContact CB-CD1 4.36Å; V216-L250 HydrophobicContact CG2-CD1 4.37Å; G246-L250 WeakPolarHBondContact O-CB 3.47Å; G246-L250 PolarHBondContact O-N 2.94Å; L247-L250 PolarHBondContact O-N 3.26Å; L250-F253 PolarHBondContact O-N 2.86Å; L250-L254 HydrophobicContact CD1-CD1 4.3Å; L250-L254 HydrophobicContact CD1-CG 4.4Å; L250-L254 HydrophobicContact CG-CD1 4.1Å; L250-L254 WeakPolarHBondContact O-CB 3.44Å; L250-L254 VanDerWaalsContact O-CG 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.5Å; L250-L254 PolarHBondContact O-N 3.21Å |
| 251 | F | 94.8 | Very high | 92.3 | Very high | 144 Ų | 144 | 51.7 Ų | 51.7 | 63% | 0.632 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.7 | -46.6 | 177.7 | 179.6 | -98.5 | 0 | 0 | 0 | 112.5 | L247 I248 F249 F253 L254 N255 | L247-F251 PolarHBondContact O-N 2.99Å; I248-F251 PolarHBondContact O-N 3.11Å; F249-F251 VanDerWaalsContact C-N 3.33Å; F249-F251 PolarHBondContact O-N 3.42Å; F251-F253 VanDerWaalsContact C-N 3.31Å; F251-F253 PolarHBondContact O-N 3.43Å; F251-L254 PolarHBondContact O-N 3.4Å; F251-N255 WeakPolarHBondContact O-CB 3.45Å; F251-N255 PolarHBondContact O-N 3.2Å |
| 252 | L | 92.2 | Very high | 92 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.131 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -36.2 | -179.9 | -66 | 171.4 | 0 | 0 | 0 | 112.2 | F145 L146 Y149 I248 F249 F256 | F145-L252 HydrophobicContact CD1-CD2 4.23Å; F145-L252 HydrophobicContact CE1-CD1 4.42Å; F145-L252 HydrophobicContact CE1-CD2 4.11Å; L146-L252 HydrophobicContact CD1-CB 3.41Å; L146-L252 VanDerWaalsContact CD1-CB 3.41Å; L146-L252 HydrophobicContact CD1-CD1 3.97Å; L146-L252 HydrophobicContact CD1-CG 4.3Å; Y149-L252 HydrophobicContact CD1-CD1 4.03Å; Y149-L252 HydrophobicContact CE1-CD1 4.35Å; I248-L252 HydrophobicContact CG2-CD1 3.82Å; I248-L252 HydrophobicContact CG2-CG 4.38Å; I248-L252 VanDerWaalsContact O-CG 3.31Å; I248-L252 WeakPolarHBondContact O-CG 3.22Å; I248-L252 PolarHBondContact O-N 2.91Å; F249-L252 HydrophobicContact CD1-CD1 4.33Å; F249-L252 PolarHBondContact O-N 3.39Å; L252-F256 PolarHBondContact O-N 3.31Å |
| 253 | F | 91.1 | Very high | 91.7 | Very high | 23 Ų | 23 | 57.9 Ų | 57.9 | 10% | 0.101 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -74.2 | -34.6 | 176.2 | -90.4 | -101.7 | 0 | 0 | 0 | 112.9 | L146 T208 Q211 L212 F215 F249 L250 F251 F256 W257 | L146-F253 HydrophobicContact CD1-CD2 3.84Å; L146-F253 HydrophobicContact CD1-CE2 3.79Å; L146-F253 HydrophobicContact CD2-CD2 4.42Å; L146-F253 HydrophobicContact CD2-CE2 4.28Å; L146-F253 HydrophobicContact CG-CE2 4.49Å; T208-F253 HydrophobicContact CG2-CD1 4.24Å; Q211-F253 HydrophobicContact CB-CD1 4.19Å; Q211-F253 HydrophobicContact CB-CE1 3.9Å; Q211-F253 HydrophobicContact CG-CE1 4.3Å; L212-F253 HydrophobicContact CD2-CB 3.64Å; L212-F253 HydrophobicContact CG-CB 4.45Å; F215-F253 HydrophobicContact CD2-CD2 4.42Å; F215-F253 HydrophobicContact CD2-CG 4.46Å; F215-F253 HydrophobicContact CE2-CB 4.26Å; F215-F253 HydrophobicContact CE2-CD1 4.16Å; F215-F253 AromaticContact CE2-CD2 3.41Å; F215-F253 HydrophobicContact CE2-CD2 3.41Å; F215-F253 VanDerWaalsContact CE2-CD2 3.41Å; F215-F253 HydrophobicContact CE2-CE1 4.38Å; F215-F253 AromaticContact CE2-CE2 3.64Å; F215-F253 HydrophobicContact CE2-CE2 3.64Å; F215-F253 AromaticContact CE2-CG 3.68Å; F215-F253 HydrophobicContact CE2-CG 3.68Å; F215-F253 HydrophobicContact CE2-CZ 4.13Å; F215-F253 AromaticContact CZ-CD2 3.85Å; F215-F253 HydrophobicContact CZ-CD2 3.85Å; F215-F253 AromaticContact CZ-CE2 3.67Å; F215-F253 HydrophobicContact CZ-CE2 3.67Å; F215-F253 HydrophobicContact CZ-CZ 4.23Å; F249-F253 WeakPolarHBondContact O-CB 3.16Å; F249-F253 VanDerWaalsContact O-CD2 3.32Å; F249-F253 WeakPolarHBondContact O-CD2 3.46Å; F249-F253 PolarHBondContact O-N 3.42Å; L250-F253 PolarHBondContact O-N 2.86Å; F251-F253 VanDerWaalsContact C-N 3.31Å; F251-F253 PolarHBondContact O-N 3.43Å; F253-F256 WeakPolarHBondContact O-CB 3.46Å; F253-F256 PolarHBondContact O-N 3.42Å; F253-W257 WeakPolarHBondContact O-CB 3.27Å; F253-W257 PolarHBondContact O-N 3.21Å |
| 254 | L | 92.8 | Very high | 91.2 | Very high | 89 Ų | 89 | 58.6 Ų | 58.6 | 47% | 0.466 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 170.6 | -72.7 | 171.3 | 0 | 0 | 0 | 111.1 | L212 L250 F251 F256 W257 Y258 | L212-L254 HydrophobicContact CD1-CD2 4.43Å; L212-L254 HydrophobicContact CD2-CD2 4.06Å; L212-L254 HydrophobicContact CD2-CG 4.11Å; L250-L254 HydrophobicContact CD1-CD1 4.3Å; L250-L254 HydrophobicContact CD1-CG 4.4Å; L250-L254 HydrophobicContact CG-CD1 4.1Å; L250-L254 WeakPolarHBondContact O-CB 3.44Å; L250-L254 VanDerWaalsContact O-CG 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.5Å; L250-L254 PolarHBondContact O-N 3.21Å; F251-L254 PolarHBondContact O-N 3.4Å; L254-F256 VanDerWaalsContact C-N 3.34Å; L254-F256 PolarHBondContact O-N 2.98Å; L254-W257 WeakPolarHBondContact O-CB 3.37Å; L254-W257 PolarHBondContact O-N 3.03Å; L254-Y258 PolarHBondContact O-N 2.97Å |
| 255 | N | 92.9 | Very high | 90.7 | Very high | 74 Ų | 74 | 60.9 Ų | 60.9 | 40% | 0.396 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 172.7 | -178.9 | 60.3 | 0 | 0 | 0 | 111.6 | F251 W257 Y258 H259 | F251-N255 WeakPolarHBondContact O-CB 3.45Å; F251-N255 PolarHBondContact O-N 3.2Å; N255-W257 PolarHBondContact O-N 3.36Å; N255-Y258 PolarHBondContact O-N 3.13Å; N255-H259 PolarHBondContact O-CD2 2.9Å; N255-H259 VanDerWaalsContact O-CD2 3.25Å; N255-H259 PolarHBondContact O-N 2.86Å; N255-H259 VanDerWaalsContact O-N 3.09Å; N255-H259 PolarHBondContact OD1-CD2 3.49Å; N255-H259 VanDerWaalsContact OD1-CD2 3.29Å; N255-H259 PolarHBondContact OD1-NE2 2.92Å |
| 256 | F | 90.3 | Very high | 90.2 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 172.7 | 171.1 | -95.6 | 0 | 0 | 0 | 111.7 | L146 T208 L252 F253 L254 Y258 H259 A260 Y261 | L146-F256 HydrophobicContact CD2-CB 4.23Å; T208-F256 HydrophobicContact CG2-CD1 3.97Å; T208-F256 HydrophobicContact CG2-CE1 4.01Å; L252-F256 PolarHBondContact O-N 3.31Å; F253-F256 WeakPolarHBondContact O-CB 3.46Å; F253-F256 PolarHBondContact O-N 3.42Å; L254-F256 VanDerWaalsContact C-N 3.34Å; L254-F256 PolarHBondContact O-N 2.98Å; F256-Y258 PolarHBondContact O-N 2.7Å; F256-H259 PolarHBondContact O-N 2.95Å; F256-A260 HydrophobicContact CD1-CB 4.36Å; F256-A260 HydrophobicContact CD2-CB 4.38Å; F256-A260 HydrophobicContact CE1-CB 4.01Å; F256-A260 HydrophobicContact CE2-CB 4.04Å; F256-A260 HydrophobicContact CZ-CB 3.84Å; F256-A260 WeakPolarHBondContact O-CB 3.37Å; F256-A260 PolarHBondContact O-N 3.11Å; F256-Y261 HydrophobicContact CE1-CE2 4.13Å |
| 257 | W | 91.2 | Very high | 89.7 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 25% | 0.25 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.7 | -48.7 | 178.8 | -177.3 | -76 | 0 | 0 | 0 | 111.5 | K205 T208 T209 L212 F253 L254 N255 H259 A260 Y261 T262 | K205-W257 HydrophobicContact CB-CH2 4.45Å; T208-W257 HydrophobicContact CG2-CE3 3.74Å; T208-W257 HydrophobicContact CG2-CZ3 4.23Å; T209-W257 VanDerWaalsContact OG1-CH2 3.31Å; T209-W257 WeakPolarHBondContact OG1-CH2 3.47Å; T209-W257 WeakPolarHBondContact OG1-CZ3 3.4Å; L212-W257 HydrophobicContact CD1-CD2 4.46Å; L212-W257 HydrophobicContact CD1-CE3 3.83Å; L212-W257 HydrophobicContact CD1-CZ3 4.34Å; F253-W257 WeakPolarHBondContact O-CB 3.27Å; F253-W257 PolarHBondContact O-N 3.21Å; L254-W257 WeakPolarHBondContact O-CB 3.37Å; L254-W257 PolarHBondContact O-N 3.03Å; N255-W257 PolarHBondContact O-N 3.36Å; W257-H259 PolarHBondContact O-N 3.07Å; W257-A260 PolarHBondContact O-N 3.3Å; W257-Y261 HydrophobicContact CB-CD2 4.33Å; W257-Y261 AromaticContact CD2-CD2 3.56Å; W257-Y261 HydrophobicContact CD2-CD2 3.56Å; W257-Y261 HydrophobicContact CD2-CE2 4.15Å; W257-Y261 AromaticContact CE2-CD2 3.98Å; W257-Y261 AromaticContact CE3-CD2 3.68Å; W257-Y261 HydrophobicContact CE3-CD2 3.68Å; W257-Y261 AromaticContact CE3-CE2 3.78Å; W257-Y261 HydrophobicContact CE3-CE2 3.78Å; W257-Y261 AromaticContact CG-CD2 3.87Å; W257-Y261 HydrophobicContact CG-CD2 3.87Å; W257-Y261 HydrophobicContact CZ2-CD2 4.46Å; W257-Y261 HydrophobicContact CZ3-CD2 4.18Å; W257-Y261 HydrophobicContact CZ3-CE2 4.13Å; W257-Y261 WeakPolarHBondContact O-CB 3.37Å; W257-Y261 PolarHBondContact O-N 3.46Å; W257-T262 PolarHBondContact O-N 3.36Å |
| 258 | Y | 91.9 | Very high | 89 | Confident | 108 Ų | 108 | 59 Ų | 59 | 42% | 0.424 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -57 | -47.9 | 178.4 | 177.9 | -105.4 | 0 | 0 | 0 | 111.7 | L254 N255 F256 T262 K263 | L254-Y258 PolarHBondContact O-N 2.97Å; N255-Y258 PolarHBondContact O-N 3.13Å; F256-Y258 PolarHBondContact O-N 2.7Å; Y258-T262 HydrophobicContact CD2-CG2 4.08Å; Y258-T262 HydrophobicContact CE2-CG2 4.19Å; Y258-T262 CarbonylContact O-C 3.59Å; Y258-T262 VanDerWaalsContact O-CB 3.28Å; Y258-T262 WeakPolarHBondContact O-CB 3.21Å; Y258-T262 PolarHBondContact O-N 3.13Å; Y258-K263 HydrophobicContact CD1-CD 4.4Å; Y258-K263 HydrophobicContact CE1-CD 3.82Å; Y258-K263 HydrophobicContact CE1-CG 4.24Å; Y258-K263 VanDerWaalsContact CZ-CE 3.49Å; Y258-K263 PolarHBondContact O-N 2.74Å; Y258-K263 WeakPolarHBondContact OH-CE 3.44Å |
| 259 | H | 88.6 | Confident | 88.2 | Confident | 65 Ų | 65 | 62.5 Ų | 62.5 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -74.3 | -39.3 | -179.5 | -76.1 | -67.2 | 0 | 0 | 0 | 113.9 | N255 F256 W257 K265 | N255-H259 PolarHBondContact O-CD2 2.9Å; N255-H259 VanDerWaalsContact O-CD2 3.25Å; N255-H259 PolarHBondContact O-N 2.86Å; N255-H259 VanDerWaalsContact O-N 3.09Å; N255-H259 PolarHBondContact OD1-CD2 3.49Å; N255-H259 VanDerWaalsContact OD1-CD2 3.29Å; N255-H259 PolarHBondContact OD1-NE2 2.92Å; F256-H259 PolarHBondContact O-N 2.95Å; W257-H259 PolarHBondContact O-N 3.07Å; H259-K265 VanDerWaalsContact O-CB 3.3Å; H259-K265 WeakPolarHBondContact O-CB 3.35Å; H259-K265 WeakPolarHBondContact O-CG 3.46Å; H259-K265 PolarHBondContact O-N 2.76Å |
| 260 | A | 85.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -76.2 | -42.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F256 W257 G264 K265 R266 | F256-A260 HydrophobicContact CD1-CB 4.36Å; F256-A260 HydrophobicContact CD2-CB 4.38Å; F256-A260 HydrophobicContact CE1-CB 4.01Å; F256-A260 HydrophobicContact CE2-CB 4.04Å; F256-A260 HydrophobicContact CZ-CB 3.84Å; F256-A260 WeakPolarHBondContact O-CB 3.37Å; F256-A260 PolarHBondContact O-N 3.11Å; W257-A260 PolarHBondContact O-N 3.3Å; A260-G264 CarbonylContact O-C 3.5Å; A260-K265 PolarHBondContact O-N 3.4Å; A260-R266 HydrophobicContact CB-CB 3.94Å; A260-R266 HydrophobicContact CB-CG 4.43Å; A260-R266 CarbonylContact O-C 3.46Å; A260-R266 PolarHBondContact O-N 3.22Å |
| 261 | Y | 88 | Confident | 86.3 | Confident | 13 Ų | 13 | 65.3 Ų | 65.3 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -112.1 | -48.7 | -169.1 | -55.7 | -51.7 | 0 | 0 | 0 | 112.7 | K204 K205 T208 F256 W257 G264 L267 | K204-Y261 PolarHBondContact O-OH 2.96Å; K205-Y261 HydrophobicContact CD-CD1 4.39Å; K205-Y261 HydrophobicContact CG-CD1 3.9Å; K205-Y261 HydrophobicContact CG-CE1 3.85Å; K205-Y261 HydrophobicContact CG-CG 4.37Å; T208-Y261 HydrophobicContact CG2-CE2 4.06Å; T208-Y261 PolarHBondContact OG1-OH 3.41Å; F256-Y261 HydrophobicContact CE1-CE2 4.13Å; W257-Y261 HydrophobicContact CB-CD2 4.33Å; W257-Y261 AromaticContact CD2-CD2 3.56Å; W257-Y261 HydrophobicContact CD2-CD2 3.56Å; W257-Y261 HydrophobicContact CD2-CE2 4.15Å; W257-Y261 AromaticContact CE2-CD2 3.98Å; W257-Y261 AromaticContact CE3-CD2 3.68Å; W257-Y261 HydrophobicContact CE3-CD2 3.68Å; W257-Y261 AromaticContact CE3-CE2 3.78Å; W257-Y261 HydrophobicContact CE3-CE2 3.78Å; W257-Y261 AromaticContact CG-CD2 3.87Å; W257-Y261 HydrophobicContact CG-CD2 3.87Å; W257-Y261 HydrophobicContact CZ2-CD2 4.46Å; W257-Y261 HydrophobicContact CZ3-CD2 4.18Å; W257-Y261 HydrophobicContact CZ3-CE2 4.13Å; W257-Y261 WeakPolarHBondContact O-CB 3.37Å; W257-Y261 PolarHBondContact O-N 3.46Å; Y261-G264 PolarHBondContact O-N 3.45Å; Y261-L267 HydrophobicContact CD1-CD2 4.42Å |
| 262 | T | 88.9 | Confident | 85.1 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 58% | 0.577 | 30% | 0.296 | S | S | * | . | I | π-helix | trans | -69.4 | -43.3 | -179.6 | -49.1 | 0 | 0 | 0 | 0 | 111.4 | W257 Y258 G264 | W257-T262 PolarHBondContact O-N 3.36Å; Y258-T262 HydrophobicContact CD2-CG2 4.08Å; Y258-T262 HydrophobicContact CE2-CG2 4.19Å; Y258-T262 CarbonylContact O-C 3.59Å; Y258-T262 VanDerWaalsContact O-CB 3.28Å; Y258-T262 WeakPolarHBondContact O-CB 3.21Å; Y258-T262 PolarHBondContact O-N 3.13Å; T262-G264 VanDerWaalsContact C-N 3.32Å |
| 263 | K | 88.3 | Confident | 83.8 | Confident | 110 Ų | 110 | 63.4 Ų | 63.4 | 48% | 0.478 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -86.3 | 2.6 | 172.5 | -71.9 | -172.2 | 166.9 | 173.4 | 0 | 114.1 | Y258 K265 | Y258-K263 HydrophobicContact CD1-CD 4.4Å; Y258-K263 HydrophobicContact CE1-CD 3.82Å; Y258-K263 HydrophobicContact CE1-CG 4.24Å; Y258-K263 VanDerWaalsContact CZ-CE 3.49Å; Y258-K263 PolarHBondContact O-N 2.74Å; Y258-K263 WeakPolarHBondContact OH-CE 3.44Å; K263-K265 VanDerWaalsContact C-N 3.25Å; K263-K265 HydrophobicContact CB-CG 4.46Å; K263-K265 PolarHBondContact O-N 2.88Å; K263-K265 VanDerWaalsContact O-N 3.1Å |
| 264 | G | 83.6 | Confident | 82.4 | Confident | 27 Ų | 27 | 67.9 Ų | 67.9 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | trans | 68.9 | 4.7 | 174 | 0 | 0 | 0 | 0 | 0 | 117.5 | A260 Y261 T262 R266 | A260-G264 CarbonylContact O-C 3.5Å; Y261-G264 PolarHBondContact O-N 3.45Å; T262-G264 VanDerWaalsContact C-N 3.32Å; G264-R266 VanDerWaalsContact C-N 3.26Å; G264-R266 PolarHBondContact O-N 3.48Å; G264-R266 VanDerWaalsContact O-N 3.17Å | ||
| 265 | K | 85.6 | Confident | 80.9 | Confident | 146 Ų | 146 | 66.5 Ų | 66.5 | 64% | 0.635 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.4 | -170.8 | -63.4 | -174.5 | 172.2 | -171.6 | 0 | 114.5 | H259 A260 K263 | H259-K265 VanDerWaalsContact O-CB 3.3Å; H259-K265 WeakPolarHBondContact O-CB 3.35Å; H259-K265 WeakPolarHBondContact O-CG 3.46Å; H259-K265 PolarHBondContact O-N 2.76Å; A260-K265 PolarHBondContact O-N 3.4Å; K263-K265 VanDerWaalsContact C-N 3.25Å; K263-K265 HydrophobicContact CB-CG 4.46Å; K263-K265 PolarHBondContact O-N 2.88Å; K263-K265 VanDerWaalsContact O-N 3.1Å |
| 266 | R | 82.6 | Confident | 79.2 | Confident | 71 Ų | 71 | 72 Ų | 72 | 27% | 0.268 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.2 | 38.5 | -175.6 | -52.3 | -178.3 | 84.6 | 145 | 9.8 | 112.6 | S141 K204 A260 G264 | S141-R266 PolarHBondContact O-NH1 3.27Å; S141-R266 PolarHBondContact O-NH2 3.34Å; K204-R266 PolarHBondContact NZ-O 2.63Å; A260-R266 HydrophobicContact CB-CB 3.94Å; A260-R266 HydrophobicContact CB-CG 4.43Å; A260-R266 CarbonylContact O-C 3.46Å; A260-R266 PolarHBondContact O-N 3.22Å; G264-R266 VanDerWaalsContact C-N 3.26Å; G264-R266 PolarHBondContact O-N 3.48Å; G264-R266 VanDerWaalsContact O-N 3.17Å |
| 267 | L | 82.3 | Confident | 77.5 | Confident | 33 Ų | 33 | 71.9 Ų | 71.9 | 17% | 0.173 | 35% | 0.354 | C | S | . | . | trans | -55.5 | 154.6 | 176.7 | -72.1 | 169.3 | 0 | 0 | 0 | 112.4 | Y261 Q272 | Y261-L267 HydrophobicContact CD1-CD2 4.42Å; L267-Q272 HydrophobicContact CB-CG 3.65Å | ||
| 268 | P | 78.7 | Confident | 75.7 | Confident | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.013 | 38% | 0.376 | C | S | . | . | trans | -53.8 | 143.3 | 167.7 | -14.3 | 23.7 | 0 | 0 | 0 | 110.4 | K204 K205 V270 L271 Q272 | K204-P268 HydrophobicContact CB-CB 4.34Å; K204-P268 HydrophobicContact CB-CG 4.11Å; K204-P268 HydrophobicContact CD-CG 4.5Å; K205-P268 HydrophobicContact CG-CG 4.27Å; P268-V270 PolarHBondContact O-N 3.1Å; P268-L271 HydrophobicContact CB-CG 4.38Å; P268-L271 HydrophobicContact CG-CD1 3.83Å; P268-L271 HydrophobicContact CG-CG 4.14Å; P268-L271 PolarHBondContact O-N 3.33Å; P268-Q272 PolarHBondContact O-N 3.18Å | ||
| 269 | K | 77.3 | Confident | 74 | Confident | 125 Ų | 125 | 77.4 Ų | 77.4 | 54% | 0.543 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.3 | -35.4 | -176.4 | -68.8 | -167.5 | 174.1 | -165.8 | 0 | 113.3 | Q198 Q272 A273 | Q198-K269 HydrophobicContact CB-CD 4.39Å; Q198-K269 VanDerWaalsContact OE1-CE 3.22Å; K269-Q272 PolarHBondContact O-N 3.3Å; K269-A273 PolarHBondContact O-N 2.83Å |
| 270 | V | 73.5 | Confident | 72.2 | Confident | 46 Ų | 46 | 78 Ų | 78 | 28% | 0.279 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | K199 P268 A273 Q274 | K199-V270 WeakPolarHBondContact O-CG2 3.28Å; P268-V270 PolarHBondContact O-N 3.1Å; V270-A273 PolarHBondContact O-N 3.2Å; V270-Q274 WeakPolarHBondContact O-CG 3.01Å; V270-Q274 PolarHBondContact O-N 2.89Å; V270-Q274 VanDerWaalsContact O-N 3.16Å |
| 271 | L | 71.3 | Confident | 70.4 | Confident | 59 Ų | 59 | 83.6 Ų | 83.6 | 31% | 0.309 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.4 | -37.1 | 178.7 | -64 | -174.2 | 0 | 0 | 0 | 111.5 | K205 P268 Q274 T275 | K205-L271 HydrophobicContact CD-CD1 4.4Å; P268-L271 HydrophobicContact CB-CG 4.38Å; P268-L271 HydrophobicContact CG-CD1 3.83Å; P268-L271 HydrophobicContact CG-CG 4.14Å; P268-L271 PolarHBondContact O-N 3.33Å; L271-Q274 PolarHBondContact O-N 3.42Å; L271-T275 PolarHBondContact O-N 3.06Å; L271-T275 PolarHBondContact O-OG1 3.43Å |
| 272 | Q | 69.6 | Low | 68.2 | Low | 67 Ų | 67 | 85.7 Ų | 85.7 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 172.4 | -70.7 | -176.9 | -26.7 | 0 | 0 | 110.4 | L267 P268 K269 Q274 T275 W276 | L267-Q272 HydrophobicContact CB-CG 3.65Å; P268-Q272 PolarHBondContact O-N 3.18Å; K269-Q272 PolarHBondContact O-N 3.3Å; Q272-Q274 PolarHBondContact O-N 3.18Å; Q272-T275 PolarHBondContact O-N 3.2Å; Q272-W276 PolarHBondContact O-N 3.44Å |
| 273 | A | 64.4 | Low | 66.2 | Low | 63 Ų | 63 | 87 Ų | 87 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -55 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K269 V270 A277 | K269-A273 PolarHBondContact O-N 2.83Å; V270-A273 PolarHBondContact O-N 3.2Å; A273-A277 WeakPolarHBondContact O-CB 3.06Å; A273-A277 PolarHBondContact O-N 3.29Å |
| 274 | Q | 63.3 | Low | 63.8 | Low | 117 Ų | 117 | 89.9 Ų | 89.9 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68 | -42.5 | 174.5 | -71.5 | 175.1 | -26.4 | 0 | 0 | 113.3 | V270 L271 Q272 A277 H278 | V270-Q274 WeakPolarHBondContact O-CG 3.01Å; V270-Q274 PolarHBondContact O-N 2.89Å; V270-Q274 VanDerWaalsContact O-N 3.16Å; L271-Q274 PolarHBondContact O-N 3.42Å; Q272-Q274 PolarHBondContact O-N 3.18Å; Q274-A277 PolarHBondContact O-N 3.32Å; Q274-H278 WeakPolarHBondContact O-CB 3.29Å; Q274-H278 PolarHBondContact O-N 2.95Å |
| 275 | T | 61.4 | Low | 61.9 | Low | 60 Ų | 60 | 96.1 Ų | 96.1 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.9 | -39.6 | 0 | 0 | 0 | 0 | 111.2 | L271 Q272 H278 H279 | L271-T275 PolarHBondContact O-N 3.06Å; L271-T275 PolarHBondContact O-OG1 3.43Å; Q272-T275 PolarHBondContact O-N 3.2Å; T275-H278 PolarHBondContact O-N 3.01Å; T275-H279 PolarHBondContact O-CD2 3.35Å; T275-H279 PolarHBondContact O-N 3.34Å |
| 276 | W | 57 | Low | 60 | Low | 190 Ų | 190 | 91.9 Ų | 91.9 | 72% | 0.72 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 175.2 | -78.7 | 78 | 0 | 0 | 0 | 111.6 | Q272 H278 H279 T280 | Q272-W276 PolarHBondContact O-N 3.44Å; W276-H278 VanDerWaalsContact C-N 3.29Å; W276-H278 PolarHBondContact O-N 3.39Å; W276-H279 PolarHBondContact O-N 2.65Å; W276-T280 PolarHBondContact O-N 3.31Å; W276-T280 PolarHBondContact O-OG1 3.31Å |
| 277 | A | 55 | Low | 58.1 | Low | 45 Ų | 45 | 95.8 Ų | 95.8 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A273 Q274 T280 N281 | A273-A277 WeakPolarHBondContact O-CB 3.06Å; A273-A277 PolarHBondContact O-N 3.29Å; Q274-A277 PolarHBondContact O-N 3.32Å; A277-T280 WeakPolarHBondContact CA-OG1 3.39Å; A277-T280 PolarHBondContact O-OG1 2.89Å; A277-N281 WeakPolarHBondContact O-CB 3.26Å; A277-N281 VanDerWaalsContact O-CG 3.23Å; A277-N281 PolarHBondContact O-N 3.43Å |
| 278 | H | 53.3 | Low | 56 | Low | 155 Ų | 155 | 100.2 Ų | 100.2 | 72% | 0.718 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.1 | -37.6 | 176.6 | -129.5 | -68.8 | 0 | 0 | 0 | 112.6 | Q274 T275 W276 G282 | Q274-H278 WeakPolarHBondContact O-CB 3.29Å; Q274-H278 PolarHBondContact O-N 2.95Å; T275-H278 PolarHBondContact O-N 3.01Å; W276-H278 VanDerWaalsContact C-N 3.29Å; W276-H278 PolarHBondContact O-N 3.39Å; H278-G282 PolarHBondContact O-N 2.03Å; H278-G282 VanDerWaalsContact O-N 3.12Å |
| 279 | H | 54.4 | Low | 54.1 | Low | 135 Ų | 135 | 107 Ų | 107 | 63% | 0.625 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.3 | -37.6 | 174.9 | -81.5 | -67.9 | 0 | 0 | 0 | 112.5 | T275 W276 G282 V283 | T275-H279 PolarHBondContact O-CD2 3.35Å; T275-H279 PolarHBondContact O-N 3.34Å; W276-H279 PolarHBondContact O-N 2.65Å; H279-G282 PolarHBondContact O-N 3.18Å; H279-V283 WeakPolarHBondContact O-CG2 3.5Å; H279-V283 PolarHBondContact O-N 3.19Å |
| 280 | T | 52 | Low | 52.5 | Low | 78 Ų | 78 | 109 Ų | 109 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.4 | -35.9 | 175.7 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | W276 A277 G282 V283 | W276-T280 PolarHBondContact O-N 3.31Å; W276-T280 PolarHBondContact O-OG1 3.31Å; A277-T280 WeakPolarHBondContact CA-OG1 3.39Å; A277-T280 PolarHBondContact O-OG1 2.89Å; T280-G282 VanDerWaalsContact C-N 3.31Å; T280-G282 PolarHBondContact O-N 3.24Å; T280-V283 PolarHBondContact O-N 2.95Å |
| 281 | N | 48.1 | Very low | 51 | Low | 119 Ų | 119 | 113.8 Ų | 113.8 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.6 | -23.9 | 175.3 | -71 | -5.9 | 0 | 0 | 0 | 112.9 | A277 | A277-N281 WeakPolarHBondContact O-CB 3.26Å; A277-N281 VanDerWaalsContact O-CG 3.23Å; A277-N281 PolarHBondContact O-N 3.43Å |
| 282 | G | 42.3 | Very low | 49.4 | Very low | 58 Ų | 58 | 120.1 Ų | 120.1 | 60% | 0.598 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.6 | -19.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H278 H279 T280 | H278-G282 PolarHBondContact O-N 2.03Å; H278-G282 VanDerWaalsContact O-N 3.12Å; H279-G282 PolarHBondContact O-N 3.18Å; T280-G282 VanDerWaalsContact C-N 3.31Å; T280-G282 PolarHBondContact O-N 3.24Å |
| 283 | V | 45.8 | Very low | 47.9 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 74% | 0.739 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -90.6 | -17.9 | 180 | 176.5 | 0 | 0 | 0 | 0 | 112.4 | H279 T280 | H279-V283 WeakPolarHBondContact O-CG2 3.5Å; H279-V283 PolarHBondContact O-N 3.19Å; T280-V283 PolarHBondContact O-N 2.95Å |
| 284 | M | 39.3 | Very low | 46.5 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 83% | 0.833 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -87.7 | 2.3 | 177.9 | -75.3 | -162.7 | -170.6 | 0 | 0 | 115.3 | ||
| 285 | N | 42.4 | Very low | 45.7 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 85% | 0.85 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -112.6 | 26.4 | -175.4 | -115.8 | 19.3 | 0 | 0 | 0 | 114.5 | ||
| 286 | G | 46.5 | Very low | 44.9 | Very low | 57 Ų | 57 | 141.8 Ų | 141.8 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -128.4 | 116.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 287 | N | 41.9 | Very low | 44.2 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | 80.6 | 84.5 | 172.9 | -68.2 | 8.7 | 0 | 0 | 0 | 117.8 | ||||
| 288 | V | 39 | Very low | 43.6 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -105.3 | 91.6 | 136.6 | -174.8 | 0 | 0 | 0 | 0 | 106.4 | H290 | V288-H290 VanDerWaalsContact C-N 3.34Å; V288-H290 PolarHBondContact O-N 3.18Å; V288-H290 VanDerWaalsContact O-N 3.12Å | ||
| 289 | D | 37.6 | Very low | 42.9 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | -72.9 | 93.6 | 166.4 | -125.2 | -10.9 | 0 | 0 | 0 | 106.5 | D291 | D289-D291 VanDerWaalsContact C-N 3.31Å; D289-D291 PolarHBondContact O-N 3.08Å | ||
| 290 | H | 43.8 | Very low | 42.2 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -84.8 | 80.5 | 167.3 | -108.2 | -64.8 | 0 | 0 | 0 | 107.6 | V288 | V288-H290 VanDerWaalsContact C-N 3.34Å; V288-H290 PolarHBondContact O-N 3.18Å; V288-H290 VanDerWaalsContact O-N 3.12Å | ||
| 291 | D | 42.3 | Very low | 41.5 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | -165.8 | 97.5 | 155.7 | -98.1 | -23.4 | 0 | 0 | 0 | 110.4 | D289 | D289-D291 VanDerWaalsContact C-N 3.31Å; D289-D291 PolarHBondContact O-N 3.08Å | ||
| 292 | K | 38.6 | Very low | 41 | Very low | 192 Ų | 192 | 151.7 Ų | 151.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 166.7 | 112 | 144.8 | -93.2 | 161.7 | -170.6 | -178.8 | 0 | 108.3 | ||||
| 293 | Y | 37.9 | Very low | 40.9 | Very low | 216 Ų | 216 | 159.5 Ų | 159.5 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | 168.4 | 110.7 | 120.2 | -92.3 | -74.1 | 0 | 0 | 0 | 108.5 | |||||
| 294 | Q | 35.3 | Very low | 40.4 | Very low | 263 Ų | 263 | 162.9 Ų | 162.9 | 100% | 1.229 | 83% | 0.826 | S | S | * | * | trans | 44.3 | 0 | 155.3 | -71.1 | -178.2 | -35.9 | 0 | 0 | 120 |
Retrieved 294 of 294 residues in 1975.4 ms
(Link to these results)