| 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 | 23.4 | Very low | 33.8 | Very low | 237 Ų | 237 | 134.8 Ų | 134.8 | 100% | 1.167 | 80% | 0.796 | S | S | * | * | 0 | 146.1 | 0 | -71.9 | -54.7 | -150.7 | 0 | 0 | 108.4 | |||||
| 2 | P | 31.3 | Very low | 35.4 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -94.5 | 170.2 | -130.7 | 37.1 | -38.4 | 0 | 0 | 0 | 114.4 | ||||
| 3 | S | 27.2 | Very low | 37.4 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | cis | -138.9 | 131.5 | 14 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 4 | L | 31.6 | Very low | 38.9 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 88% | 0.88 | 75% | 0.748 | S | S | * | * | trans | -105 | 120.4 | 159.7 | -85.1 | 158.3 | 0 | 0 | 0 | 107.8 | ||||
| 5 | N | 31 | Very low | 40.4 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | 166.9 | 97.6 | 146 | -90.3 | -35.4 | 0 | 0 | 0 | 110.1 | K7 | N5-K7 HydrophobicContact CB-CG 4.25Å; N5-K7 PolarHBondContact O-N 3.23Å | ||
| 6 | G | 30.3 | Very low | 41.9 | Very low | 94 Ų | 94 | 122.1 Ų | 122.1 | 97% | 0.969 | 69% | 0.694 | S | S | * | * | trans | -76.1 | 53.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 7 | K | 34.3 | Very low | 43.4 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | trans | -74.5 | 139.9 | 161.2 | -72.1 | 179.7 | -179.8 | 177.1 | 0 | 106.1 | N5 D9 | N5-K7 HydrophobicContact CB-CG 4.25Å; N5-K7 PolarHBondContact O-N 3.23Å; K7-D9 PolarHBondContact O-N 3.15Å | ||
| 8 | A | 34.8 | Very low | 44.8 | Very low | 87 Ų | 87 | 118.1 Ų | 118.1 | 72% | 0.719 | 67% | 0.672 | S | S | * | * | trans | -63.7 | 108.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | V10 | A8-V10 PolarHBondContact O-N 3.35Š| ||
| 9 | D | 37.1 | Very low | 45.9 | Very low | 150 Ų | 150 | 115.5 Ų | 115.5 | 80% | 0.802 | 65% | 0.651 | S | S | * | * | trans | -57.7 | 132.7 | 171.2 | -78.5 | -36.6 | 0 | 0 | 0 | 107.9 | K7 L11 | K7-D9 PolarHBondContact O-N 3.15Å; D9-L11 PolarHBondContact O-N 2.93Å; D9-L11 VanDerWaalsContact O-N 3.17Å | ||
| 10 | V | 45.5 | Very low | 47 | Very low | 78 Ų | 78 | 110.7 Ų | 110.7 | 47% | 0.473 | 62% | 0.623 | S | S | . | * | trans | -77.2 | 111.6 | -172.3 | -167.7 | 0 | 0 | 0 | 0 | 107.4 | A8 F12 | A8-V10 PolarHBondContact O-N 3.35Å; V10-F12 HydrophobicContact CB-CD2 3.7Å; V10-F12 HydrophobicContact CB-CE1 4.39Å; V10-F12 HydrophobicContact CB-CE2 3.52Å; V10-F12 HydrophobicContact CB-CG 4.23Å; V10-F12 HydrophobicContact CB-CZ 3.9Å; V10-F12 HydrophobicContact CG1-CD1 3.64Å; V10-F12 HydrophobicContact CG1-CD2 3.66Å; V10-F12 HydrophobicContact CG1-CE1 3.64Å; V10-F12 HydrophobicContact CG1-CE2 3.67Å; V10-F12 HydrophobicContact CG1-CG 3.66Å; V10-F12 HydrophobicContact CG1-CZ 3.66Å; V10-F12 HydrophobicContact CG2-CE2 4.06Å; V10-F12 HydrophobicContact CG2-CZ 4.14Å; V10-F12 PolarHBondContact O-N 3.34Å | ||
| 11 | L | 45.4 | Very low | 48.1 | Very low | 164 Ų | 164 | 109.8 Ų | 109.8 | 86% | 0.859 | 61% | 0.614 | S | S | * | * | trans | -70.2 | 85.3 | 153.1 | -67.8 | 174.4 | 0 | 0 | 0 | 106.4 | D9 | D9-L11 PolarHBondContact O-N 2.93Å; D9-L11 VanDerWaalsContact O-N 3.17Å | ||
| 12 | F | 53.7 | Low | 50.2 | Low | 98 Ų | 98 | 102 Ų | 102 | 43% | 0.43 | 57% | 0.574 | S | S | . | * | trans | -67.4 | 124.4 | 159.6 | -67.7 | -74.1 | 0 | 0 | 0 | 105.7 | V10 D16 E20 | V10-F12 HydrophobicContact CB-CD2 3.7Å; V10-F12 HydrophobicContact CB-CE1 4.39Å; V10-F12 HydrophobicContact CB-CE2 3.52Å; V10-F12 HydrophobicContact CB-CG 4.23Å; V10-F12 HydrophobicContact CB-CZ 3.9Å; V10-F12 HydrophobicContact CG1-CD1 3.64Å; V10-F12 HydrophobicContact CG1-CD2 3.66Å; V10-F12 HydrophobicContact CG1-CE1 3.64Å; V10-F12 HydrophobicContact CG1-CE2 3.67Å; V10-F12 HydrophobicContact CG1-CG 3.66Å; V10-F12 HydrophobicContact CG1-CZ 3.66Å; V10-F12 HydrophobicContact CG2-CE2 4.06Å; V10-F12 HydrophobicContact CG2-CZ 4.14Å; V10-F12 PolarHBondContact O-N 3.34Å; F12-D16 HydrophobicContact CB-CB 4.32Å; F12-D16 HydrophobicContact CD1-CB 4.1Å; F12-E20 HydrophobicContact CD1-CG 4.31Å; F12-E20 HydrophobicContact CE1-CG 3.98Å; F12-E20 WeakPolarHBondContact CE1-OE1 3.34Å | ||
| 13 | E | 60.8 | Low | 52.1 | Low | 115 Ų | 115 | 96.6 Ų | 96.6 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | trans | -75.1 | 151.5 | 168.4 | -69.1 | 160.9 | 157.7 | 0 | 0 | 106.9 | D15 D16 K40 | E13-D15 PolarHBondContact O-N 3.08Å; E13-D16 PolarHBondContact N-OD2 3.28Å; E13-D16 VanDerWaalsContact N-OD2 3.09Å; E13-D16 VanDerWaalsContact O-CB 3.28Å; E13-D16 WeakPolarHBondContact O-CB 3.42Å; E13-D16 PolarHBondContact O-N 2.7Å; E13-K40 IonicContact OE2-NZ 3.78Å; E13-K40 PolarHBondContact OE2-NZ 2.97Å | ||
| 14 | D | 58.8 | Low | 54.3 | Low | 141 Ų | 141 | 97.1 Ų | 97.1 | 75% | 0.754 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -58.4 | -24.1 | -177.7 | -72.4 | -39.5 | 0 | 0 | 0 | 112.2 | D16 L17 | D14-D16 PolarHBondContact O-N 2.66Å; D14-L17 PolarHBondContact O-N 2.89Å |
| 15 | D | 61 | Low | 56.2 | Low | 111 Ų | 111 | 97.4 Ų | 97.4 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -67.7 | -13.3 | 173.1 | -57.4 | -35.4 | 0 | 0 | 0 | 114.6 | E13 F39 | E13-D15 PolarHBondContact O-N 3.08Å; D15-F39 HydrophobicContact CB-CE1 4.35Å; D15-F39 HydrophobicContact CB-CZ 3.9Å |
| 16 | D | 64 | Low | 58.1 | Low | 5 Ų | 5 | 95.8 Ų | 95.8 | 3% | 0.027 | 51% | 0.512 | C | S | . | . | G | 310 helix | trans | -80.3 | -27.5 | 175.5 | -79.3 | -66.9 | 0 | 0 | 0 | 113.3 | F12 E13 D14 P18 Y19 E20 Y36 K40 | F12-D16 HydrophobicContact CB-CB 4.32Å; F12-D16 HydrophobicContact CD1-CB 4.1Å; E13-D16 PolarHBondContact N-OD2 3.28Å; E13-D16 VanDerWaalsContact N-OD2 3.09Å; E13-D16 VanDerWaalsContact O-CB 3.28Å; E13-D16 WeakPolarHBondContact O-CB 3.42Å; E13-D16 PolarHBondContact O-N 2.7Å; D14-D16 PolarHBondContact O-N 2.66Å; D16-P18 VanDerWaalsContact C-CD 3.48Å; D16-Y19 PolarHBondContact O-N 2.82Å; D16-Y19 VanDerWaalsContact O-N 3.14Å; D16-E20 PolarHBondContact O-N 2.7Å; D16-Y36 WeakPolarHBondContact OD1-CE2 3.33Å; D16-Y36 PolarHBondContact OD1-OH 3.34Å; D16-K40 WeakPolarHBondContact OD1-CE 3.3Å; D16-K40 IonicContact OD1-NZ 2.75Å; D16-K40 PolarHBondContact OD1-NZ 2.99Å; D16-K40 WeakPolarHBondContact OD2-CE 3.44Å; D16-K40 IonicContact OD2-NZ 3.41Å; D16-K40 PolarHBondContact OD2-NZ 3.36Å |
| 17 | L | 67.1 | Low | 60 | Low | 94 Ų | 94 | 93.2 Ų | 93.2 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -53.6 | -44.6 | -173.8 | -81.3 | 159.9 | 0 | 0 | 0 | 114.1 | D14 Y19 E20 E21 | D14-L17 PolarHBondContact O-N 2.89Å; L17-Y19 VanDerWaalsContact C-N 3.3Å; L17-Y19 PolarHBondContact O-N 3.03Å; L17-E20 PolarHBondContact O-N 3.13Å; L17-E21 PolarHBondContact O-N 3.25Å |
| 18 | P | 70.2 | Confident | 61.8 | Low | 79 Ų | 79 | 94.4 Ų | 94.4 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | 179.7 | -23.9 | 35.1 | 0 | 0 | 0 | 113.1 | D16 E22 | D16-P18 VanDerWaalsContact C-CD 3.48Å; P18-E22 PolarHBondContact O-N 2.9Å |
| 19 | Y | 65.3 | Low | 63.8 | Low | 69 Ų | 69 | 91.9 Ų | 91.9 | 27% | 0.271 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -78.5 | -37.5 | -178.8 | -62.6 | -75.3 | 0 | 0 | 0 | 112.2 | D16 L17 E21 E22 I23 Y36 F39 | D16-Y19 PolarHBondContact O-N 2.82Å; D16-Y19 VanDerWaalsContact O-N 3.14Å; L17-Y19 VanDerWaalsContact C-N 3.3Å; L17-Y19 PolarHBondContact O-N 3.03Å; Y19-E21 VanDerWaalsContact C-N 3.34Å; Y19-E22 PolarHBondContact O-N 2.9Å; Y19-I23 WeakPolarHBondContact O-CB 3.49Å; Y19-I23 WeakPolarHBondContact O-CD1 3.35Å; Y19-I23 VanDerWaalsContact O-CG1 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3.18Å; Y19-I23 PolarHBondContact O-N 3.17Å; Y19-Y36 HydrophobicContact CD1-CD2 4.43Å; Y19-Y36 HydrophobicContact CD2-CD2 4.14Å; Y19-Y36 AromaticContact CG-CD2 3.72Å; Y19-Y36 HydrophobicContact CG-CD2 3.72Å; Y19-Y36 HydrophobicContact CG-CE2 4.4Å; Y19-F39 AromaticContact CD2-CD1 3.83Å; Y19-F39 HydrophobicContact CD2-CD1 3.83Å; Y19-F39 HydrophobicContact CD2-CE1 4.19Å; Y19-F39 HydrophobicContact CD2-CG 4.29Å; Y19-F39 HydrophobicContact CE2-CB 4.16Å; Y19-F39 AromaticContact CE2-CD1 3.58Å; Y19-F39 HydrophobicContact CE2-CD1 3.58Å; Y19-F39 HydrophobicContact CE2-CD2 4.03Å; Y19-F39 AromaticContact CE2-CE1 3.93Å; Y19-F39 HydrophobicContact CE2-CE1 3.93Å; Y19-F39 HydrophobicContact CE2-CE2 4.34Å; Y19-F39 AromaticContact CE2-CG 3.65Å; Y19-F39 HydrophobicContact CE2-CG 3.65Å; Y19-F39 HydrophobicContact CE2-CZ 4.31Å |
| 20 | E | 68.4 | Low | 65.6 | Low | 19 Ų | 19 | 86.8 Ų | 86.8 | 9% | 0.089 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 171.8 | -75 | -69.1 | 161.5 | 0 | 0 | 111.4 | F12 D16 L17 I23 I24 Y36 R54 | F12-E20 HydrophobicContact CD1-CG 4.31Å; F12-E20 HydrophobicContact CE1-CG 3.98Å; F12-E20 WeakPolarHBondContact CE1-OE1 3.34Å; D16-E20 PolarHBondContact O-N 2.7Å; L17-E20 PolarHBondContact O-N 3.13Å; E20-I23 PolarHBondContact O-N 3.07Å; E20-I24 VanDerWaalsContact O-CG1 3.27Å; E20-I24 WeakPolarHBondContact O-CG1 3.42Å; E20-I24 PolarHBondContact O-N 3.36Å; E20-Y36 PolarHBondContact OE1-OH 2.78Å; E20-R54 IonicContact OE1-CZ 2.67Å; E20-R54 IonicContact OE1-NH1 3.8Å; E20-R54 PolarHBondContact OE1-NH1 3.13Å; E20-R54 IonicContact OE1-NH2 3.73Å; E20-R54 PolarHBondContact OE1-NH2 3.04Å; E20-R54 IonicContact OE2-CZ 3.05Å; E20-R54 IonicContact OE2-NH1 3.36Å; E20-R54 IonicContact OE2-NH2 2.75Å; E20-R54 PolarHBondContact OE2-NH2 3.25Å |
| 21 | E | 69.1 | Low | 67.2 | Low | 92 Ų | 92 | 90.8 Ų | 90.8 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 171.7 | -78 | -162 | -148.9 | 0 | 0 | 112.9 | L17 Y19 I23 I24 R25 | L17-E21 PolarHBondContact O-N 3.25Å; Y19-E21 VanDerWaalsContact C-N 3.34Å; E21-I23 VanDerWaalsContact C-N 3.28Å; E21-I23 PolarHBondContact O-N 3.13Å; E21-I24 PolarHBondContact O-N 3.39Å; E21-R25 WeakPolarHBondContact O-CB 3.22Å; E21-R25 WeakPolarHBondContact O-CD 3.37Å; E21-R25 WeakPolarHBondContact O-CG 3.19Å; E21-R25 PolarHBondContact O-N 3.35Å; E21-R25 IonicContact OE2-CZ 3.74Å; E21-R25 IonicContact OE2-NE 3.67Å; E21-R25 IonicContact OE2-NH2 2.8Å; E21-R25 PolarHBondContact OE2-NH2 2.93Å |
| 22 | E | 66.8 | Low | 68.8 | Low | 73 Ų | 73 | 83.7 Ų | 83.7 | 34% | 0.341 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 174 | -81.1 | -163.6 | -178.3 | 0 | 0 | 112.4 | P18 Y19 N26 R35 | P18-E22 PolarHBondContact O-N 2.9Å; Y19-E22 PolarHBondContact O-N 2.9Å; E22-N26 PolarHBondContact O-N 3.14Å; E22-R35 IonicContact OE2-NH1 3.66Å |
| 23 | I | 72.3 | Confident | 69.9 | Low | 8 Ų | 8 | 79.2 Ų | 79.2 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.3 | -44.5 | 178 | -75.7 | 162.9 | 0 | 0 | 0 | 111.5 | Y19 E20 E21 R25 N26 P27 W33 Y36 | Y19-I23 WeakPolarHBondContact O-CB 3.49Å; Y19-I23 WeakPolarHBondContact O-CD1 3.35Å; Y19-I23 VanDerWaalsContact O-CG1 3.26Å; Y19-I23 WeakPolarHBondContact O-CG1 3.18Å; Y19-I23 PolarHBondContact O-N 3.17Å; E20-I23 PolarHBondContact O-N 3.07Å; E21-I23 VanDerWaalsContact C-N 3.28Å; E21-I23 PolarHBondContact O-N 3.13Å; I23-R25 VanDerWaalsContact C-N 3.29Å; I23-R25 PolarHBondContact O-N 3.46Å; I23-N26 CarbonylContact O-C 3.58Å; I23-N26 VanDerWaalsContact O-C 3.27Å; I23-N26 PolarHBondContact O-N 2.9Å; I23-P27 VanDerWaalsContact O-CA 3.29Å; I23-P27 WeakPolarHBondContact O-CA 3.45Å; I23-P27 WeakPolarHBondContact O-CD 3.36Å; I23-P27 WeakPolarHBondContact O-CG 3.41Å; I23-W33 HydrophobicContact CD1-CD2 4.26Å; I23-W33 HydrophobicContact CD1-CE3 3.7Å; I23-W33 HydrophobicContact CD1-CH2 4.34Å; I23-W33 HydrophobicContact CD1-CZ3 3.76Å; I23-W33 HydrophobicContact CG1-CD2 4.23Å; I23-W33 HydrophobicContact CG1-CE3 4.17Å; I23-W33 HydrophobicContact CG1-CZ3 4.36Å; I23-W33 HydrophobicContact CG2-CD2 4.49Å; I23-W33 HydrophobicContact CG2-CE3 4.49Å; I23-W33 HydrophobicContact CG2-CH2 3.46Å; I23-W33 VanDerWaalsContact CG2-CH2 3.46Å; I23-W33 HydrophobicContact CG2-CZ2 3.41Å; I23-W33 VanDerWaalsContact CG2-CZ2 3.41Å; I23-W33 HydrophobicContact CG2-CZ3 4.02Å; I23-Y36 HydrophobicContact CD1-CD1 3.31Å; I23-Y36 HydrophobicContact CD1-CE1 4.02Å; I23-Y36 HydrophobicContact CD1-CG 3.78Å |
| 24 | I | 72.4 | Confident | 70.8 | Confident | 126 Ų | 126 | 75.3 Ų | 75.3 | 65% | 0.646 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.8 | -37.8 | 176.2 | -68.6 | 164.7 | 0 | 0 | 0 | 110.6 | E20 E21 | E20-I24 VanDerWaalsContact O-CG1 3.27Å; E20-I24 WeakPolarHBondContact O-CG1 3.42Å; E20-I24 PolarHBondContact O-N 3.36Å; E21-I24 PolarHBondContact O-N 3.39Å |
| 25 | R | 72 | Confident | 71.7 | Confident | 174 Ų | 174 | 75.2 Ų | 75.2 | 66% | 0.657 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71.2 | -33.3 | 176.7 | -68.2 | 168 | -167.5 | -151.6 | 7.6 | 112.9 | E21 I23 | E21-R25 WeakPolarHBondContact O-CB 3.22Å; E21-R25 WeakPolarHBondContact O-CD 3.37Å; E21-R25 WeakPolarHBondContact O-CG 3.19Å; E21-R25 PolarHBondContact O-N 3.35Å; E21-R25 IonicContact OE2-CZ 3.74Å; E21-R25 IonicContact OE2-NE 3.67Å; E21-R25 IonicContact OE2-NH2 2.8Å; E21-R25 PolarHBondContact OE2-NH2 2.93Å; I23-R25 VanDerWaalsContact C-N 3.29Å; I23-R25 PolarHBondContact O-N 3.46Å |
| 26 | N | 70.9 | Confident | 72.5 | Confident | 91 Ų | 91 | 70.2 Ų | 70.2 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | trans | -135.9 | 66.8 | -179 | -68.6 | -73.7 | 0 | 0 | 0 | 114.1 | E22 I23 Y28 S29 | E22-N26 PolarHBondContact O-N 3.14Å; I23-N26 CarbonylContact O-C 3.58Å; I23-N26 VanDerWaalsContact O-C 3.27Å; I23-N26 PolarHBondContact O-N 2.9Å; N26-Y28 PolarHBondContact O-N 2.85Å; N26-Y28 VanDerWaalsContact O-N 3.09Å; N26-S29 WeakPolarHBondContact O-CB 3.35Å; N26-S29 PolarHBondContact O-N 3.26Å | ||
| 27 | P | 69.6 | Low | 73.1 | Confident | 40 Ų | 40 | 70 Ų | 70 | 26% | 0.26 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.2 | -172.9 | -25.7 | 35.1 | 0 | 0 | 0 | 114.4 | I23 W33 | I23-P27 VanDerWaalsContact O-CA 3.29Å; I23-P27 WeakPolarHBondContact O-CA 3.45Å; I23-P27 WeakPolarHBondContact O-CD 3.36Å; I23-P27 WeakPolarHBondContact O-CG 3.41Å; P27-W33 PolarHBondContact O-NE1 3.08Å |
| 28 | Y | 72.2 | Confident | 73.6 | Confident | 168 Ų | 168 | 70.8 Ų | 70.8 | 66% | 0.659 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 2.7 | -177.6 | -53.9 | -60.9 | 0 | 0 | 0 | 114.5 | N26 V30 L59 | N26-Y28 PolarHBondContact O-N 2.85Å; N26-Y28 VanDerWaalsContact O-N 3.09Å; Y28-V30 PolarHBondContact O-N 2.77Å; Y28-L59 HydrophobicContact CD1-CD2 4.15Å |
| 29 | S | 77.8 | Confident | 73.9 | Confident | 35 Ų | 35 | 70.9 Ų | 70.9 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | trans | -86.5 | 105 | 179.7 | -180 | 0 | 0 | 0 | 0 | 112.1 | N26 K31 C32 W33 | N26-S29 WeakPolarHBondContact O-CB 3.35Å; N26-S29 PolarHBondContact O-N 3.26Å; S29-K31 PolarHBondContact O-N 2.92Å; S29-K31 VanDerWaalsContact O-N 3.09Å; S29-C32 PolarHBondContact O-N 2.99Å; S29-C32 VanDerWaalsContact O-N 3.14Å; S29-C32 PolarHBondContact OG-N 3.42Å; S29-C32 PolarHBondContact OG-SG 3.11Å; S29-C32 VanDerWaalsContact OG-SG 3.37Å; S29-W33 PolarHBondContact O-N 3.25Å | ||
| 30 | V | 75.5 | Confident | 74.2 | Confident | 43 Ų | 43 | 68.4 Ų | 68.4 | 26% | 0.261 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -54 | -30.3 | 172.7 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | Y28 M34 L59 L65 | Y28-V30 PolarHBondContact O-N 2.77Å; V30-M34 HydrophobicContact CG1-CG 4.17Å; V30-M34 WeakPolarHBondContact O-CB 3.28Å; V30-M34 VanDerWaalsContact O-CG 3.25Å; V30-M34 WeakPolarHBondContact O-CG 3.45Å; V30-M34 PolarHBondContact O-N 2.84Å; V30-L59 HydrophobicContact CG2-CD1 3.77Å; V30-L65 HydrophobicContact CG1-CD1 4.47Å; V30-L65 HydrophobicContact CG1-CG 4.21Å |
| 31 | K | 77.9 | Confident | 74.3 | Confident | 162 Ų | 162 | 72.3 Ų | 72.3 | 70% | 0.704 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -69.4 | -40 | -179.8 | -67.6 | -175.4 | -179.7 | -179.6 | 0 | 112.6 | S29 M34 R35 | S29-K31 PolarHBondContact O-N 2.92Å; S29-K31 VanDerWaalsContact O-N 3.09Å; K31-M34 PolarHBondContact O-N 3.45Å; K31-R35 WeakPolarHBondContact O-CG 3.24Å; K31-R35 PolarHBondContact O-N 3.41Å |
| 32 | C | 78.6 | Confident | 74.1 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 10% | 0.095 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.5 | -47 | 179 | -62.5 | 0 | 0 | 0 | 0 | 110.3 | S29 M34 R35 Y36 | S29-C32 PolarHBondContact O-N 2.99Å; S29-C32 VanDerWaalsContact O-N 3.14Å; S29-C32 PolarHBondContact OG-N 3.42Å; S29-C32 PolarHBondContact OG-SG 3.11Å; S29-C32 VanDerWaalsContact OG-SG 3.37Å; C32-M34 PolarHBondContact O-N 3.16Å; C32-R35 PolarHBondContact O-N 2.94Å; C32-Y36 PolarHBondContact O-N 3.47Å; C32-Y36 VanDerWaalsContact O-N 3.13Å |
| 33 | W | 78.3 | Confident | 74.1 | Confident | 5 Ų | 5 | 73.8 Ų | 73.8 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 172.5 | -71.3 | 109 | 0 | 0 | 0 | 113 | I23 P27 S29 Y36 I37 R54 A55 E58 L65 | I23-W33 HydrophobicContact CD1-CD2 4.26Å; I23-W33 HydrophobicContact CD1-CE3 3.7Å; I23-W33 HydrophobicContact CD1-CH2 4.34Å; I23-W33 HydrophobicContact CD1-CZ3 3.76Å; I23-W33 HydrophobicContact CG1-CD2 4.23Å; I23-W33 HydrophobicContact CG1-CE3 4.17Å; I23-W33 HydrophobicContact CG1-CZ3 4.36Å; I23-W33 HydrophobicContact CG2-CD2 4.49Å; I23-W33 HydrophobicContact CG2-CE3 4.49Å; I23-W33 HydrophobicContact CG2-CH2 3.46Å; I23-W33 VanDerWaalsContact CG2-CH2 3.46Å; I23-W33 HydrophobicContact CG2-CZ2 3.41Å; I23-W33 VanDerWaalsContact CG2-CZ2 3.41Å; I23-W33 HydrophobicContact CG2-CZ3 4.02Å; P27-W33 PolarHBondContact O-NE1 3.08Å; S29-W33 PolarHBondContact O-N 3.25Å; W33-Y36 PolarHBondContact O-N 2.99Å; W33-I37 WeakPolarHBondContact O-CB 3.35Å; W33-I37 VanDerWaalsContact O-CD1 3.3Å; W33-I37 WeakPolarHBondContact O-CD1 3.24Å; W33-I37 WeakPolarHBondContact O-CG1 3.2Å; W33-I37 PolarHBondContact O-N 3.2Å; W33-R54 HydrophobicContact CH2-CB 3.83Å; W33-R54 HydrophobicContact CZ3-CB 3.98Å; W33-A55 HydrophobicContact CB-CB 4.13Å; W33-A55 HydrophobicContact CD2-CB 3.52Å; W33-A55 HydrophobicContact CE3-CB 3.48Å; W33-A55 VanDerWaalsContact CE3-CB 3.48Å; W33-A55 HydrophobicContact CG-CB 3.84Å; W33-A55 HydrophobicContact CZ3-CB 4.04Å; W33-E58 HydrophobicContact CZ2-CB 4.45Å; W33-E58 HydrophobicContact CZ2-CG 4.02Å; W33-L65 HydrophobicContact CB-CD2 4.3Å |
| 34 | M | 78.3 | Confident | 74.1 | Confident | 33 Ų | 33 | 76.3 Ų | 76.3 | 16% | 0.163 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 178.1 | -82.1 | -63.1 | -45.9 | 0 | 0 | 112.9 | V30 K31 C32 Y36 I37 E38 L65 N68 | V30-M34 HydrophobicContact CG1-CG 4.17Å; V30-M34 WeakPolarHBondContact O-CB 3.28Å; V30-M34 VanDerWaalsContact O-CG 3.25Å; V30-M34 WeakPolarHBondContact O-CG 3.45Å; V30-M34 PolarHBondContact O-N 2.84Å; K31-M34 PolarHBondContact O-N 3.45Å; C32-M34 PolarHBondContact O-N 3.16Å; M34-Y36 VanDerWaalsContact C-N 3.34Å; M34-Y36 PolarHBondContact O-N 3.44Å; M34-I37 WeakPolarHBondContact O-CB 3.48Å; M34-I37 PolarHBondContact O-N 3.35Å; M34-E38 HydrophobicContact CE-CG 4.47Å; M34-E38 WeakPolarHBondContact CE-OE1 3.33Å; M34-E38 WeakPolarHBondContact O-CB 3.5Å; M34-E38 VanDerWaalsContact O-CG 3.31Å; M34-E38 WeakPolarHBondContact O-CG 3.39Å; M34-E38 PolarHBondContact O-N 3Å; M34-L65 HydrophobicContact CG-CD2 4.2Å; M34-L65 HydrophobicContact SD-CD2 3.94Å; M34-N68 WeakPolarHBondContact CE-ND2 3.49Å |
| 35 | R | 77.8 | Confident | 74 | Confident | 138 Ų | 138 | 77.2 Ų | 77.2 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -42.6 | 175 | -74.3 | 174.6 | 175.6 | 177.8 | -5 | 112.3 | E22 K31 C32 I37 E38 F39 | E22-R35 IonicContact OE2-NH1 3.66Å; K31-R35 WeakPolarHBondContact O-CG 3.24Å; K31-R35 PolarHBondContact O-N 3.41Å; C32-R35 PolarHBondContact O-N 2.94Å; R35-I37 VanDerWaalsContact C-N 3.33Å; R35-I37 PolarHBondContact O-N 2.94Å; R35-E38 PolarHBondContact O-N 3.46Å; R35-F39 PolarHBondContact O-N 3.29Å |
| 36 | Y | 77.2 | Confident | 74 | Confident | 6 Ų | 6 | 73.4 Ų | 73.4 | 2% | 0.024 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 178.5 | -173.1 | -139.5 | 0 | 0 | 0 | 112.3 | D16 Y19 E20 I23 C32 W33 M34 F39 K40 I51 | D16-Y36 WeakPolarHBondContact OD1-CE2 3.33Å; D16-Y36 PolarHBondContact OD1-OH 3.34Å; Y19-Y36 HydrophobicContact CD1-CD2 4.43Å; Y19-Y36 HydrophobicContact CD2-CD2 4.14Å; Y19-Y36 AromaticContact CG-CD2 3.72Å; Y19-Y36 HydrophobicContact CG-CD2 3.72Å; Y19-Y36 HydrophobicContact CG-CE2 4.4Å; E20-Y36 PolarHBondContact OE1-OH 2.78Å; I23-Y36 HydrophobicContact CD1-CD1 3.31Å; I23-Y36 HydrophobicContact CD1-CE1 4.02Å; I23-Y36 HydrophobicContact CD1-CG 3.78Å; C32-Y36 PolarHBondContact O-N 3.47Å; C32-Y36 VanDerWaalsContact O-N 3.13Å; W33-Y36 PolarHBondContact O-N 2.99Å; M34-Y36 VanDerWaalsContact C-N 3.34Å; M34-Y36 PolarHBondContact O-N 3.44Å; Y36-F39 PolarHBondContact O-N 3.36Å; Y36-K40 HydrophobicContact CE2-CG 4.28Å; Y36-K40 PolarHBondContact O-N 2.76Å; Y36-K40 VanDerWaalsContact O-N 3.12Å; Y36-I51 HydrophobicContact CD1-CD1 4.18Å; Y36-I51 HydrophobicContact CD1-CG1 4.24Å; Y36-I51 HydrophobicContact CD1-CG2 3.5Å; Y36-I51 VanDerWaalsContact CD1-CG2 3.5Å; Y36-I51 HydrophobicContact CE1-CB 4.33Å; Y36-I51 HydrophobicContact CE1-CD1 3.59Å; Y36-I51 HydrophobicContact CE1-CG1 3.61Å; Y36-I51 HydrophobicContact CE1-CG2 3.76Å; Y36-I51 HydrophobicContact CE2-CD1 4.4Å; Y36-I51 HydrophobicContact CG-CG2 4.42Å |
| 37 | I | 77.1 | Confident | 74.2 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 173.3 | -73.2 | 161.2 | 0 | 0 | 0 | 111.8 | W33 M34 R35 Q41 L48 I51 Y52 L65 | W33-I37 WeakPolarHBondContact O-CB 3.35Å; W33-I37 VanDerWaalsContact O-CD1 3.3Å; W33-I37 WeakPolarHBondContact O-CD1 3.24Å; W33-I37 WeakPolarHBondContact O-CG1 3.2Å; W33-I37 PolarHBondContact O-N 3.2Å; M34-I37 WeakPolarHBondContact O-CB 3.48Å; M34-I37 PolarHBondContact O-N 3.35Å; R35-I37 VanDerWaalsContact C-N 3.33Å; R35-I37 PolarHBondContact O-N 2.94Å; I37-Q41 PolarHBondContact O-N 2.95Å; I37-L48 HydrophobicContact CG2-CD1 4.45Å; I37-I51 HydrophobicContact CG1-CG2 3.81Å; I37-Y52 HydrophobicContact CD1-CD1 3.7Å; I37-Y52 HydrophobicContact CD1-CE1 3.6Å; I37-Y52 HydrophobicContact CD1-CG 4.37Å; I37-Y52 HydrophobicContact CG1-CD1 4.4Å; I37-Y52 HydrophobicContact CG1-CE1 4.25Å; I37-Y52 HydrophobicContact CG2-CE1 3.98Å; I37-Y52 HydrophobicContact CG2-CE2 3.92Å; I37-Y52 VanDerWaalsContact CG2-CZ 3.44Å; I37-Y52 VanDerWaalsContact CG2-OH 3.23Å; I37-Y52 WeakPolarHBondContact CG2-OH 3.02Å; I37-L65 HydrophobicContact CD1-CD2 3.73Å |
| 38 | E | 78.3 | Confident | 74.6 | Confident | 109 Ų | 109 | 70.1 Ų | 70.1 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 176.6 | -75.8 | 161.7 | -167 | 0 | 0 | 111.2 | M34 R35 Q41 | M34-E38 HydrophobicContact CE-CG 4.47Å; M34-E38 WeakPolarHBondContact CE-OE1 3.33Å; M34-E38 WeakPolarHBondContact O-CB 3.5Å; M34-E38 VanDerWaalsContact O-CG 3.31Å; M34-E38 WeakPolarHBondContact O-CG 3.39Å; M34-E38 PolarHBondContact O-N 3Å; R35-E38 PolarHBondContact O-N 3.46Å; E38-Q41 VanDerWaalsContact O-CB 3.25Å; E38-Q41 WeakPolarHBondContact O-CB 3.17Å; E38-Q41 PolarHBondContact O-N 3.26Å |
| 39 | F | 77 | Confident | 75 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.4 | -49.7 | 175.4 | 178.1 | -115.9 | 0 | 0 | 0 | 112.4 | D15 Y19 R35 Y36 Q41 | D15-F39 HydrophobicContact CB-CE1 4.35Å; D15-F39 HydrophobicContact CB-CZ 3.9Å; Y19-F39 AromaticContact CD2-CD1 3.83Å; Y19-F39 HydrophobicContact CD2-CD1 3.83Å; Y19-F39 HydrophobicContact CD2-CE1 4.19Å; Y19-F39 HydrophobicContact CD2-CG 4.29Å; Y19-F39 HydrophobicContact CE2-CB 4.16Å; Y19-F39 AromaticContact CE2-CD1 3.58Å; Y19-F39 HydrophobicContact CE2-CD1 3.58Å; Y19-F39 HydrophobicContact CE2-CD2 4.03Å; Y19-F39 AromaticContact CE2-CE1 3.93Å; Y19-F39 HydrophobicContact CE2-CE1 3.93Å; Y19-F39 HydrophobicContact CE2-CE2 4.34Å; Y19-F39 AromaticContact CE2-CG 3.65Å; Y19-F39 HydrophobicContact CE2-CG 3.65Å; Y19-F39 HydrophobicContact CE2-CZ 4.31Å; R35-F39 PolarHBondContact O-N 3.29Å; Y36-F39 PolarHBondContact O-N 3.36Å; F39-Q41 VanDerWaalsContact C-N 3.29Å; F39-Q41 PolarHBondContact O-N 2.88Å |
| 40 | K | 71.8 | Confident | 75 | Confident | 17 Ų | 17 | 66 Ų | 66 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -84.1 | 9.2 | 178.8 | -70.8 | -66.1 | -174.1 | 176.6 | 0 | 114.7 | E13 D16 Y36 N42 G43 L48 I51 | E13-K40 IonicContact OE2-NZ 3.78Å; E13-K40 PolarHBondContact OE2-NZ 2.97Å; D16-K40 WeakPolarHBondContact OD1-CE 3.3Å; D16-K40 IonicContact OD1-NZ 2.75Å; D16-K40 PolarHBondContact OD1-NZ 2.99Å; D16-K40 WeakPolarHBondContact OD2-CE 3.44Å; D16-K40 IonicContact OD2-NZ 3.41Å; D16-K40 PolarHBondContact OD2-NZ 3.36Å; Y36-K40 HydrophobicContact CE2-CG 4.28Å; Y36-K40 PolarHBondContact O-N 2.76Å; Y36-K40 VanDerWaalsContact O-N 3.12Å; K40-N42 PolarHBondContact O-N 3.04Å; K40-N42 VanDerWaalsContact O-N 3.13Å; K40-G43 PolarHBondContact O-N 3.33Å; K40-L48 HydrophobicContact CB-CD1 4.41Å; K40-I51 HydrophobicContact CB-CD1 3.99Å; K40-I51 HydrophobicContact CG-CD1 3.96Å |
| 41 | Q | 68.9 | Low | 75.2 | Confident | 100 Ų | 100 | 64.2 Ų | 64.2 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -59.8 | -27.3 | -178.6 | -168.5 | 175.5 | -55 | 0 | 0 | 113.3 | I37 E38 F39 | I37-Q41 PolarHBondContact O-N 2.95Å; E38-Q41 VanDerWaalsContact O-CB 3.25Å; E38-Q41 WeakPolarHBondContact O-CB 3.17Å; E38-Q41 PolarHBondContact O-N 3.26Å; F39-Q41 VanDerWaalsContact C-N 3.29Å; F39-Q41 PolarHBondContact O-N 2.88Å |
| 42 | N | 66.6 | Low | 75.3 | Confident | 159 Ų | 159 | 57 Ų | 57 | 85% | 0.85 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -92.1 | -4.2 | 176.4 | -64.4 | -22.2 | 0 | 0 | 0 | 113.8 | K40 | K40-N42 PolarHBondContact O-N 3.04Å; K40-N42 VanDerWaalsContact O-N 3.13Å |
| 43 | G | 66.3 | Low | 75.3 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 38% | 0.381 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -82.7 | -171 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | K40 K45 | K40-G43 PolarHBondContact O-N 3.33Å; G43-K45 PolarHBondContact O-N 3.26Å |
| 44 | A | 71.2 | Confident | 75.3 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 51% | 0.512 | 32% | 0.318 | S | S | . | . | trans | -59.3 | 125.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S46 T47 L48 | A44-S46 PolarHBondContact O-N 3.27Å; A44-T47 HydrophobicContact CB-CG2 4.32Å; A44-T47 PolarHBondContact O-N 2.9Å; A44-T47 PolarHBondContact O-OG1 3.2Å; A44-L48 PolarHBondContact O-N 3.36Å | ||
| 45 | K | 71.9 | Confident | 75.4 | Confident | 145 Ų | 145 | 60.2 Ų | 60.2 | 63% | 0.63 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -54.8 | -28.3 | -176.3 | -66.3 | 167.8 | -178.7 | 172.7 | 0 | 113.5 | G43 N49 Q76 | G43-K45 PolarHBondContact O-N 3.26Å; K45-N49 WeakPolarHBondContact O-CB 3.47Å; K45-N49 PolarHBondContact O-N 3.03Å; K45-N49 PolarHBondContact O-ND2 3.23Å; K45-N49 VanDerWaalsContact O-ND2 3.08Å; K45-Q76 HydrophobicContact CD-CG 4.28Å; K45-Q76 HydrophobicContact CG-CG 4.38Å |
| 46 | S | 71.4 | Confident | 75.4 | Confident | 93 Ų | 93 | 54 Ų | 54 | 65% | 0.65 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -71.3 | -42.2 | 175.4 | -164.6 | 0 | 0 | 0 | 0 | 113.3 | A44 N49 M50 | A44-S46 PolarHBondContact O-N 3.27Å; S46-N49 PolarHBondContact O-N 3.21Å; S46-M50 PolarHBondContact O-N 3.36Å |
| 47 | T | 75.1 | Confident | 75.5 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -69.8 | -42.8 | 179.6 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | A44 N49 M50 I51 | A44-T47 HydrophobicContact CB-CG2 4.32Å; A44-T47 PolarHBondContact O-N 2.9Å; A44-T47 PolarHBondContact O-OG1 3.2Å; T47-N49 VanDerWaalsContact C-N 3.3Å; T47-N49 PolarHBondContact O-N 3.29Å; T47-M50 WeakPolarHBondContact O-CB 3.05Å; T47-M50 PolarHBondContact O-N 2.91Å; T47-M50 VanDerWaalsContact O-N 3.08Å; T47-I51 VanDerWaalsContact O-CG1 3.32Å; T47-I51 WeakPolarHBondContact O-CG1 3.3Å; T47-I51 PolarHBondContact O-N 2.95Å |
| 48 | L | 78.5 | Confident | 75.4 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -54 | -46.4 | 172 | -170.7 | 75.3 | 0 | 0 | 0 | 111.8 | I37 K40 A44 M50 I51 Y52 E72 | I37-L48 HydrophobicContact CG2-CD1 4.45Å; K40-L48 HydrophobicContact CB-CD1 4.41Å; A44-L48 PolarHBondContact O-N 3.36Å; L48-M50 PolarHBondContact O-N 3.45Å; L48-I51 PolarHBondContact O-N 2.78Å; L48-Y52 HydrophobicContact CD1-CE2 4.18Å; L48-Y52 HydrophobicContact CD2-CE2 4.21Å; L48-Y52 HydrophobicContact CG-CD2 4.09Å; L48-Y52 HydrophobicContact CG-CE2 3.87Å; L48-Y52 VanDerWaalsContact O-CD2 3.25Å; L48-Y52 WeakPolarHBondContact O-CD2 3.48Å; L48-Y52 PolarHBondContact O-N 2.95Å; L48-E72 HydrophobicContact CD2-CG 3.69Å |
| 49 | N | 79.3 | Confident | 75.3 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.08 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 177.3 | -71.9 | -19.6 | 0 | 0 | 0 | 112.3 | K45 S46 T47 Y52 E53 Y69 R73 Q76 | K45-N49 WeakPolarHBondContact O-CB 3.47Å; K45-N49 PolarHBondContact O-N 3.03Å; K45-N49 PolarHBondContact O-ND2 3.23Å; K45-N49 VanDerWaalsContact O-ND2 3.08Å; S46-N49 PolarHBondContact O-N 3.21Å; T47-N49 VanDerWaalsContact C-N 3.3Å; T47-N49 PolarHBondContact O-N 3.29Å; N49-Y52 PolarHBondContact O-N 2.99Å; N49-E53 WeakPolarHBondContact O-CG 3.49Å; N49-E53 PolarHBondContact O-N 3.21Å; N49-Y69 HydrophobicContact CB-CE2 4.4Å; N49-R73 VanDerWaalsContact ND2-CZ 3.31Å; N49-R73 PolarHBondContact ND2-NE 2.87Å; N49-R73 PolarHBondContact ND2-NH1 3.06Å; N49-R73 PolarHBondContact OD1-NE 2.89Å; N49-Q76 PolarHBondContact ND2-OE1 3.49Å; N49-Q76 PolarHBondContact OD1-NE2 2.81Å; N49-Q76 PolarHBondContact OD1-OE1 3.35Å |
| 50 | M | 79 | Confident | 75.1 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 49% | 0.493 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 174.5 | -174.9 | 68.4 | 79 | 0 | 0 | 112 | S46 T47 L48 E53 R54 | S46-M50 PolarHBondContact O-N 3.36Å; T47-M50 WeakPolarHBondContact O-CB 3.05Å; T47-M50 PolarHBondContact O-N 2.91Å; T47-M50 VanDerWaalsContact O-N 3.08Å; L48-M50 PolarHBondContact O-N 3.45Å; M50-E53 CarbonylContact O-C 3.6Å; M50-E53 PolarHBondContact O-N 3.27Å; M50-R54 WeakPolarHBondContact O-CG 3.47Å; M50-R54 PolarHBondContact O-N 3.02Å |
| 51 | I | 78.9 | Confident | 75.2 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.036 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.1 | -47 | 177 | -66.3 | 165.8 | 0 | 0 | 0 | 110.3 | Y36 I37 K40 T47 L48 E53 R54 A55 | Y36-I51 HydrophobicContact CD1-CD1 4.18Å; Y36-I51 HydrophobicContact CD1-CG1 4.24Å; Y36-I51 HydrophobicContact CD1-CG2 3.5Å; Y36-I51 VanDerWaalsContact CD1-CG2 3.5Å; Y36-I51 HydrophobicContact CE1-CB 4.33Å; Y36-I51 HydrophobicContact CE1-CD1 3.59Å; Y36-I51 HydrophobicContact CE1-CG1 3.61Å; Y36-I51 HydrophobicContact CE1-CG2 3.76Å; Y36-I51 HydrophobicContact CE2-CD1 4.4Å; Y36-I51 HydrophobicContact CG-CG2 4.42Å; I37-I51 HydrophobicContact CG1-CG2 3.81Å; K40-I51 HydrophobicContact CB-CD1 3.99Å; K40-I51 HydrophobicContact CG-CD1 3.96Å; T47-I51 VanDerWaalsContact O-CG1 3.32Å; T47-I51 WeakPolarHBondContact O-CG1 3.3Å; T47-I51 PolarHBondContact O-N 2.95Å; L48-I51 PolarHBondContact O-N 2.78Å; I51-E53 VanDerWaalsContact C-N 3.32Å; I51-E53 PolarHBondContact O-N 3.28Å; I51-R54 PolarHBondContact O-N 2.9Å; I51-A55 WeakPolarHBondContact O-CB 3.44Å; I51-A55 PolarHBondContact O-N 3.26Å |
| 52 | Y | 79.1 | Confident | 75.7 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 4% | 0.039 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.2 | -40.6 | 172.7 | -82 | -71.1 | 0 | 0 | 0 | 112.4 | I37 L48 N49 R54 A55 L56 N68 Y69 | I37-Y52 HydrophobicContact CD1-CD1 3.7Å; I37-Y52 HydrophobicContact CD1-CE1 3.6Å; I37-Y52 HydrophobicContact CD1-CG 4.37Å; I37-Y52 HydrophobicContact CG1-CD1 4.4Å; I37-Y52 HydrophobicContact CG1-CE1 4.25Å; I37-Y52 HydrophobicContact CG2-CE1 3.98Å; I37-Y52 HydrophobicContact CG2-CE2 3.92Å; I37-Y52 VanDerWaalsContact CG2-CZ 3.44Å; I37-Y52 VanDerWaalsContact CG2-OH 3.23Å; I37-Y52 WeakPolarHBondContact CG2-OH 3.02Å; L48-Y52 HydrophobicContact CD1-CE2 4.18Å; L48-Y52 HydrophobicContact CD2-CE2 4.21Å; L48-Y52 HydrophobicContact CG-CD2 4.09Å; L48-Y52 HydrophobicContact CG-CE2 3.87Å; L48-Y52 VanDerWaalsContact O-CD2 3.25Å; L48-Y52 WeakPolarHBondContact O-CD2 3.48Å; L48-Y52 PolarHBondContact O-N 2.95Å; N49-Y52 PolarHBondContact O-N 2.99Å; Y52-R54 VanDerWaalsContact C-N 3.33Å; Y52-R54 PolarHBondContact O-N 2.62Å; Y52-A55 PolarHBondContact O-N 3.01Å; Y52-L56 VanDerWaalsContact O-CB 3.32Å; Y52-L56 WeakPolarHBondContact O-CB 3.26Å; Y52-L56 WeakPolarHBondContact O-CG 3.17Å; Y52-L56 PolarHBondContact O-N 2.97Å; Y52-N68 HydrophobicContact CE1-CB 4.17Å; Y52-Y69 HydrophobicContact CD1-CD2 4.03Å; Y52-Y69 HydrophobicContact CD1-CG 4.02Å; Y52-Y69 AromaticContact CD2-CD2 3.56Å; Y52-Y69 HydrophobicContact CD2-CD2 3.56Å; Y52-Y69 HydrophobicContact CD2-CE2 4.19Å; Y52-Y69 HydrophobicContact CD2-CG 4.37Å; Y52-Y69 HydrophobicContact CE2-CD2 4.3Å; Y52-Y69 AromaticContact CG-CD2 3.4Å; Y52-Y69 HydrophobicContact CG-CD2 3.4Å; Y52-Y69 HydrophobicContact CG-CE2 4.11Å; Y52-Y69 AromaticContact CG-CG 3.83Å; Y52-Y69 HydrophobicContact CG-CG 3.83Å |
| 53 | E | 78.7 | Confident | 76.3 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72 | -22.7 | 177.7 | -71.9 | -162.1 | -154.2 | 0 | 0 | 114.3 | N49 M50 I51 K57 Y69 R73 R96 | N49-E53 WeakPolarHBondContact O-CG 3.49Å; N49-E53 PolarHBondContact O-N 3.21Å; M50-E53 CarbonylContact O-C 3.6Å; M50-E53 PolarHBondContact O-N 3.27Å; I51-E53 VanDerWaalsContact C-N 3.32Å; I51-E53 PolarHBondContact O-N 3.28Å; E53-K57 WeakPolarHBondContact O-CD 3.42Å; E53-K57 VanDerWaalsContact O-CG 3.27Å; E53-K57 WeakPolarHBondContact O-CG 3.47Å; E53-K57 PolarHBondContact O-N 2.75Å; E53-Y69 HydrophobicContact CG-CE1 4.24Å; E53-Y69 WeakPolarHBondContact CG-OH 3.22Å; E53-Y69 PolarHBondContact OE1-OH 3.15Å; E53-R73 IonicContact OE1-NH2 2.93Å; E53-R73 PolarHBondContact OE1-NH2 2.95Å; E53-R96 IonicContact OE1-NH1 3.09Å; E53-R96 IonicContact OE2-NH1 2.7Å; E53-R96 PolarHBondContact OE2-NH1 3.45Å; E53-R96 IonicContact OE2-NH2 3.1Å |
| 54 | R | 79.6 | Confident | 76.9 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -74 | -50.7 | 167.3 | -71.2 | 172.6 | 64.4 | -163.6 | -5.7 | 110.5 | E20 W33 M50 I51 Y52 L56 K57 E58 | E20-R54 IonicContact OE1-CZ 2.67Å; E20-R54 IonicContact OE1-NH1 3.8Å; E20-R54 PolarHBondContact OE1-NH1 3.13Å; E20-R54 IonicContact OE1-NH2 3.73Å; E20-R54 PolarHBondContact OE1-NH2 3.04Å; E20-R54 IonicContact OE2-CZ 3.05Å; E20-R54 IonicContact OE2-NH1 3.36Å; E20-R54 IonicContact OE2-NH2 2.75Å; E20-R54 PolarHBondContact OE2-NH2 3.25Å; W33-R54 HydrophobicContact CH2-CB 3.83Å; W33-R54 HydrophobicContact CZ3-CB 3.98Å; M50-R54 WeakPolarHBondContact O-CG 3.47Å; M50-R54 PolarHBondContact O-N 3.02Å; I51-R54 PolarHBondContact O-N 2.9Å; Y52-R54 VanDerWaalsContact C-N 3.33Å; Y52-R54 PolarHBondContact O-N 2.62Å; R54-L56 VanDerWaalsContact C-N 3.25Å; R54-L56 PolarHBondContact O-N 3.06Å; R54-K57 WeakPolarHBondContact O-CB 3.11Å; R54-K57 PolarHBondContact O-N 3.45Å; R54-E58 PolarHBondContact O-N 2.71Å |
| 55 | A | 79.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.2 | -38.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | W33 I51 Y52 L59 L65 | W33-A55 HydrophobicContact CB-CB 4.13Å; W33-A55 HydrophobicContact CD2-CB 3.52Å; W33-A55 HydrophobicContact CE3-CB 3.48Å; W33-A55 VanDerWaalsContact CE3-CB 3.48Å; W33-A55 HydrophobicContact CG-CB 3.84Å; W33-A55 HydrophobicContact CZ3-CB 4.04Å; I51-A55 WeakPolarHBondContact O-CB 3.44Å; I51-A55 PolarHBondContact O-N 3.26Å; Y52-A55 PolarHBondContact O-N 3.01Å; A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 PolarHBondContact O-N 3.18Å; A55-L65 HydrophobicContact CB-CD1 4.06Å |
| 56 | L | 77.5 | Confident | 77.9 | Confident | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -81.1 | -11.2 | 179.6 | -68 | 173.1 | 0 | 0 | 0 | 114.6 | Y52 R54 P60 L65 W66 Y69 | Y52-L56 VanDerWaalsContact O-CB 3.32Å; Y52-L56 WeakPolarHBondContact O-CB 3.26Å; Y52-L56 WeakPolarHBondContact O-CG 3.17Å; Y52-L56 PolarHBondContact O-N 2.97Å; R54-L56 VanDerWaalsContact C-N 3.25Å; R54-L56 PolarHBondContact O-N 3.06Å; L56-P60 WeakPolarHBondContact O-CA 3.14Å; L56-L65 HydrophobicContact CD2-CB 3.73Å; L56-W66 HydrophobicContact CD1-CD2 3.88Å; L56-W66 HydrophobicContact CD1-CE3 3.73Å; L56-W66 HydrophobicContact CD1-CH2 4.02Å; L56-W66 HydrophobicContact CD1-CZ2 4.15Å; L56-W66 HydrophobicContact CD1-CZ3 3.82Å; L56-W66 HydrophobicContact CD2-CD2 3.83Å; L56-W66 HydrophobicContact CD2-CG 3.85Å; L56-W66 HydrophobicContact CD2-CZ2 4.39Å; L56-W66 HydrophobicContact CG-CD2 4.48Å; L56-Y69 HydrophobicContact CD1-CD1 3.43Å; L56-Y69 VanDerWaalsContact CD1-CD1 3.43Å; L56-Y69 HydrophobicContact CD1-CE1 4Å; L56-Y69 HydrophobicContact CD1-CG 4.17Å |
| 57 | K | 79.5 | Confident | 78.4 | Confident | 136 Ų | 136 | 46.2 Ų | 46.2 | 59% | 0.591 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -77.4 | -44.4 | 167.5 | -77.7 | 166.5 | -174.9 | 173 | 0 | 110.9 | E53 R54 | E53-K57 WeakPolarHBondContact O-CD 3.42Å; E53-K57 VanDerWaalsContact O-CG 3.27Å; E53-K57 WeakPolarHBondContact O-CG 3.47Å; E53-K57 PolarHBondContact O-N 2.75Å; R54-K57 WeakPolarHBondContact O-CB 3.11Å; R54-K57 PolarHBondContact O-N 3.45Å |
| 58 | E | 76.3 | Confident | 78.8 | Confident | 88 Ų | 88 | 45.4 Ų | 45.4 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.9 | -34 | 177.5 | -58.3 | -51 | 139.3 | 0 | 0 | 112.5 | W33 R54 | W33-E58 HydrophobicContact CZ2-CB 4.45Å; W33-E58 HydrophobicContact CZ2-CG 4.02Å; R54-E58 PolarHBondContact O-N 2.71Å |
| 59 | L | 75.4 | Confident | 79 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | trans | -128.4 | 66.1 | -177.3 | -65.4 | 169.6 | 0 | 0 | 0 | 113.7 | Y28 V30 A55 G61 S62 L65 | Y28-L59 HydrophobicContact CD1-CD2 4.15Å; V30-L59 HydrophobicContact CG2-CD1 3.77Å; A55-L59 WeakPolarHBondContact O-CB 3.42Å; A55-L59 PolarHBondContact O-N 3.18Å; L59-G61 PolarHBondContact O-N 3.24Å; L59-G61 VanDerWaalsContact O-N 3.1Å; L59-S62 PolarHBondContact O-N 2.76Å; L59-L65 HydrophobicContact CB-CD1 4.27Å; L59-L65 HydrophobicContact CD1-CD1 4.31Å | ||
| 60 | P | 73.9 | Confident | 79.1 | Confident | 42 Ų | 42 | 44.7 Ų | 44.7 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24 | -176.9 | -23.1 | 33.6 | 0 | 0 | 0 | 115.1 | L56 W66 F100 | L56-P60 WeakPolarHBondContact O-CA 3.14Å; P60-W66 PolarHBondContact O-NE1 2.84Å; P60-F100 HydrophobicContact CB-CD1 3.82Å; P60-F100 HydrophobicContact CB-CD2 4.38Å; P60-F100 HydrophobicContact CB-CE1 3.75Å; P60-F100 HydrophobicContact CB-CE2 4.32Å; P60-F100 HydrophobicContact CB-CG 4.14Å; P60-F100 HydrophobicContact CB-CZ 4.02Å |
| 61 | G | 72.9 | Confident | 79.4 | Confident | 55 Ų | 55 | 46.3 Ų | 46.3 | 57% | 0.567 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -0.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L59 Y63 | L59-G61 PolarHBondContact O-N 3.24Å; L59-G61 VanDerWaalsContact O-N 3.1Å; G61-Y63 PolarHBondContact O-N 3.32Å; G61-Y63 VanDerWaalsContact O-N 3.15Å |
| 62 | S | 79.9 | Confident | 79.5 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | trans | -77.4 | 103.3 | -175 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | L59 K64 L65 W66 | L59-S62 PolarHBondContact O-N 2.76Å; S62-K64 VanDerWaalsContact C-N 3.29Å; S62-K64 PolarHBondContact O-N 3.47Å; S62-L65 PolarHBondContact O-N 2.95Å; S62-L65 WeakPolarHBondContact OG-CG 3.33Å; S62-W66 PolarHBondContact O-N 3.09Å; S62-W66 VanDerWaalsContact O-N 3.08Å | ||
| 63 | Y | 77.9 | Confident | 79.5 | Confident | 83 Ų | 83 | 48.2 Ų | 48.2 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -54.8 | -42.2 | 175.6 | 172.9 | -102.6 | 0 | 0 | 0 | 112.9 | G61 W66 Y67 M101 I107 | G61-Y63 PolarHBondContact O-N 3.32Å; G61-Y63 VanDerWaalsContact O-N 3.15Å; Y63-W66 PolarHBondContact O-N 2.78Å; Y63-Y67 VanDerWaalsContact O-CB 3.28Å; Y63-Y67 WeakPolarHBondContact O-CB 3.4Å; Y63-Y67 PolarHBondContact O-N 3.07Å; Y63-M101 HydrophobicContact CD2-CE 4.46Å; Y63-I107 HydrophobicContact CD2-CD1 4.07Å; Y63-I107 HydrophobicContact CE2-CD1 4.1Å; Y63-I107 HydrophobicContact CE2-CG1 4.07Å |
| 64 | K | 78.7 | Confident | 79.6 | Confident | 141 Ų | 141 | 48.5 Ų | 48.5 | 61% | 0.613 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -64.1 | -43.6 | -176.9 | -67.7 | -173.7 | 176.8 | -174.4 | 0 | 111.6 | S62 N68 | S62-K64 VanDerWaalsContact C-N 3.29Å; S62-K64 PolarHBondContact O-N 3.47Å; K64-N68 WeakPolarHBondContact O-CB 3.48Å; K64-N68 VanDerWaalsContact O-CG 3.28Å; K64-N68 PolarHBondContact O-N 2.97Å; K64-N68 PolarHBondContact O-ND2 3.35Å |
| 65 | L | 81.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.1 | -47.1 | 177.2 | -66.1 | 174.3 | 0 | 0 | 0 | 111.1 | V30 W33 M34 I37 A55 L56 L59 S62 Y67 Y69 | V30-L65 HydrophobicContact CG1-CD1 4.47Å; V30-L65 HydrophobicContact CG1-CG 4.21Å; W33-L65 HydrophobicContact CB-CD2 4.3Å; M34-L65 HydrophobicContact CG-CD2 4.2Å; M34-L65 HydrophobicContact SD-CD2 3.94Å; I37-L65 HydrophobicContact CD1-CD2 3.73Å; A55-L65 HydrophobicContact CB-CD1 4.06Å; L56-L65 HydrophobicContact CD2-CB 3.73Å; L59-L65 HydrophobicContact CB-CD1 4.27Å; L59-L65 HydrophobicContact CD1-CD1 4.31Å; S62-L65 PolarHBondContact O-N 2.95Å; S62-L65 WeakPolarHBondContact OG-CG 3.33Å; L65-Y67 PolarHBondContact O-N 2.88Å; L65-Y69 WeakPolarHBondContact O-CB 3.41Å; L65-Y69 PolarHBondContact O-N 3.17Å |
| 66 | W | 84.3 | Confident | 79.6 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 176.2 | -85.4 | 117 | 0 | 0 | 0 | 113 | L56 P60 S62 Y63 Y69 L70 R96 A97 F100 | L56-W66 HydrophobicContact CD1-CD2 3.88Å; L56-W66 HydrophobicContact CD1-CE3 3.73Å; L56-W66 HydrophobicContact CD1-CH2 4.02Å; L56-W66 HydrophobicContact CD1-CZ2 4.15Å; L56-W66 HydrophobicContact CD1-CZ3 3.82Å; L56-W66 HydrophobicContact CD2-CD2 3.83Å; L56-W66 HydrophobicContact CD2-CG 3.85Å; L56-W66 HydrophobicContact CD2-CZ2 4.39Å; L56-W66 HydrophobicContact CG-CD2 4.48Å; P60-W66 PolarHBondContact O-NE1 2.84Å; S62-W66 PolarHBondContact O-N 3.09Å; S62-W66 VanDerWaalsContact O-N 3.08Å; Y63-W66 PolarHBondContact O-N 2.78Å; W66-Y69 HydrophobicContact CE3-CD1 4.3Å; W66-Y69 HydrophobicContact CZ3-CD1 4.21Å; W66-Y69 PolarHBondContact O-N 3Å; W66-L70 WeakPolarHBondContact O-CB 3.49Å; W66-L70 WeakPolarHBondContact O-CG 3.38Å; W66-L70 PolarHBondContact O-N 3.31Å; W66-R96 HydrophobicContact CH2-CB 3.87Å; W66-R96 HydrophobicContact CZ3-CB 4.48Å; W66-A97 HydrophobicContact CD2-CB 3.74Å; W66-A97 HydrophobicContact CE3-CB 3.36Å; W66-A97 HydrophobicContact CG-CB 4.38Å; W66-A97 HydrophobicContact CH2-CB 4.25Å; W66-A97 HydrophobicContact CZ3-CB 3.65Å; W66-F100 AromaticContact CZ2-CD2 3.99Å; W66-F100 HydrophobicContact CZ2-CD2 3.99Å; W66-F100 HydrophobicContact CZ2-CE2 4.37Å |
| 67 | Y | 82.6 | Confident | 79.6 | Confident | 54 Ų | 54 | 50.7 Ų | 50.7 | 21% | 0.212 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | -179.2 | -179.2 | -102 | 0 | 0 | 0 | 112.1 | Y63 L65 L70 R71 R106 D110 | Y63-Y67 VanDerWaalsContact O-CB 3.28Å; Y63-Y67 WeakPolarHBondContact O-CB 3.4Å; Y63-Y67 PolarHBondContact O-N 3.07Å; L65-Y67 PolarHBondContact O-N 2.88Å; Y67-L70 PolarHBondContact O-N 3.45Å; Y67-R71 WeakPolarHBondContact O-CB 3.16Å; Y67-R71 PolarHBondContact O-N 3.04Å; Y67-R106 HydrophobicContact CE2-CG 4.03Å; Y67-D110 WeakPolarHBondContact CE2-OD2 3.44Å |
| 68 | N | 81.8 | Confident | 79.1 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 22% | 0.219 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.1 | -42.6 | 177.5 | -71.3 | -11.2 | 0 | 0 | 0 | 111.3 | M34 Y52 K64 L70 R71 E72 | M34-N68 WeakPolarHBondContact CE-ND2 3.49Å; Y52-N68 HydrophobicContact CE1-CB 4.17Å; K64-N68 WeakPolarHBondContact O-CB 3.48Å; K64-N68 VanDerWaalsContact O-CG 3.28Å; K64-N68 PolarHBondContact O-N 2.97Å; K64-N68 PolarHBondContact O-ND2 3.35Å; N68-L70 PolarHBondContact O-N 2.98Å; N68-R71 PolarHBondContact O-N 3.26Å; N68-E72 WeakPolarHBondContact O-CB 3.46Å; N68-E72 PolarHBondContact O-N 3.18Å |
| 69 | Y | 82.7 | Confident | 78.7 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 175.6 | -174.5 | -144.1 | 0 | 0 | 0 | 112.2 | N49 Y52 E53 L56 L65 W66 E72 R73 C93 | N49-Y69 HydrophobicContact CB-CE2 4.4Å; Y52-Y69 HydrophobicContact CD1-CD2 4.03Å; Y52-Y69 HydrophobicContact CD1-CG 4.02Å; Y52-Y69 AromaticContact CD2-CD2 3.56Å; Y52-Y69 HydrophobicContact CD2-CD2 3.56Å; Y52-Y69 HydrophobicContact CD2-CE2 4.19Å; Y52-Y69 HydrophobicContact CD2-CG 4.37Å; Y52-Y69 HydrophobicContact CE2-CD2 4.3Å; Y52-Y69 AromaticContact CG-CD2 3.4Å; Y52-Y69 HydrophobicContact CG-CD2 3.4Å; Y52-Y69 HydrophobicContact CG-CE2 4.11Å; Y52-Y69 AromaticContact CG-CG 3.83Å; Y52-Y69 HydrophobicContact CG-CG 3.83Å; E53-Y69 HydrophobicContact CG-CE1 4.24Å; E53-Y69 WeakPolarHBondContact CG-OH 3.22Å; E53-Y69 PolarHBondContact OE1-OH 3.15Å; L56-Y69 HydrophobicContact CD1-CD1 3.43Å; L56-Y69 VanDerWaalsContact CD1-CD1 3.43Å; L56-Y69 HydrophobicContact CD1-CE1 4Å; L56-Y69 HydrophobicContact CD1-CG 4.17Å; L65-Y69 WeakPolarHBondContact O-CB 3.41Å; L65-Y69 PolarHBondContact O-N 3.17Å; W66-Y69 HydrophobicContact CE3-CD1 4.3Å; W66-Y69 HydrophobicContact CZ3-CD1 4.21Å; W66-Y69 PolarHBondContact O-N 3Å; Y69-E72 PolarHBondContact O-N 3.11Å; Y69-R73 HydrophobicContact CD2-CG 3.82Å; Y69-R73 HydrophobicContact CE2-CG 3.52Å; Y69-R73 HydrophobicContact CG-CG 4.5Å; Y69-R73 VanDerWaalsContact O-CB 3.28Å; Y69-R73 WeakPolarHBondContact O-CB 3.43Å; Y69-R73 WeakPolarHBondContact O-CG 3.22Å; Y69-R73 PolarHBondContact O-N 3.03Å; Y69-R73 PolarHBondContact OH-NE 3.09Å; Y69-R73 PolarHBondContact OH-NH2 3.27Å; Y69-C93 VanDerWaalsContact CD1-SG 3.56Å; Y69-C93 WeakPolarHBondContact CE1-SG 3.47Å |
| 70 | L | 82.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.7 | -34.2 | 177.7 | -68.8 | 170.9 | 0 | 0 | 0 | 112.7 | W66 Y67 N68 R74 C93 H94 A97 I107 | W66-L70 WeakPolarHBondContact O-CB 3.49Å; W66-L70 WeakPolarHBondContact O-CG 3.38Å; W66-L70 PolarHBondContact O-N 3.31Å; Y67-L70 PolarHBondContact O-N 3.45Å; N68-L70 PolarHBondContact O-N 2.98Å; L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 VanDerWaalsContact O-CG 3.26Å; L70-R74 WeakPolarHBondContact O-CG 3.45Å; L70-R74 PolarHBondContact O-N 2.91Å; L70-R74 VanDerWaalsContact O-N 3.12Å; L70-R74 PolarHBondContact O-NE 2.88Å; L70-C93 HydrophobicContact CD2-CB 4.18Å; L70-C93 VanDerWaalsContact CD2-SG 3.58Å; L70-H94 HydrophobicContact CD2-CB 4.4Å; L70-A97 HydrophobicContact CD1-CB 3.85Å; L70-I107 HydrophobicContact CD1-CG2 4.01Å |
| 71 | R | 83.9 | Confident | 78.5 | Confident | 134 Ų | 134 | 58.5 Ų | 58.5 | 51% | 0.506 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 172.3 | -175.3 | -178.4 | -178.7 | -164.2 | 0.4 | 110.5 | Y67 N68 R74 K75 | Y67-R71 WeakPolarHBondContact O-CB 3.16Å; Y67-R71 PolarHBondContact O-N 3.04Å; N68-R71 PolarHBondContact O-N 3.26Å; R71-R74 PolarHBondContact O-N 2.95Å; R71-K75 PolarHBondContact O-N 3.49Å |
| 72 | E | 80.8 | Confident | 78.2 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.3 | -45 | -176.6 | -159 | 52 | -128.6 | 0 | 0 | 112.3 | L48 N68 Y69 R74 K75 Q76 | L48-E72 HydrophobicContact CD2-CG 3.69Å; N68-E72 WeakPolarHBondContact O-CB 3.46Å; N68-E72 PolarHBondContact O-N 3.18Å; Y69-E72 PolarHBondContact O-N 3.11Å; E72-R74 VanDerWaalsContact C-N 3.25Å; E72-R74 PolarHBondContact O-N 2.84Å; E72-K75 WeakPolarHBondContact O-CB 3.34Å; E72-K75 PolarHBondContact O-N 2.67Å; E72-K75 IonicContact OE1-NZ 3.67Å; E72-K75 WeakPolarHBondContact OE2-CD 3.38Å; E72-K75 VanDerWaalsContact OE2-CE 3.28Å; E72-K75 WeakPolarHBondContact OE2-CE 3.47Å; E72-K75 IonicContact OE2-NZ 3.82Å; E72-K75 PolarHBondContact OE2-NZ 3.14Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3.16Å |
| 73 | R | 80 | Confident | 77.6 | Confident | 26 Ų | 26 | 65 Ų | 65 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.1 | -38.3 | 170.6 | -79.4 | -67.8 | -160.3 | 156.9 | 1.1 | 112.2 | N49 E53 Y69 Q76 V77 E89 V90 | N49-R73 VanDerWaalsContact ND2-CZ 3.31Å; N49-R73 PolarHBondContact ND2-NE 2.87Å; N49-R73 PolarHBondContact ND2-NH1 3.06Å; N49-R73 PolarHBondContact OD1-NE 2.89Å; E53-R73 IonicContact OE1-NH2 2.93Å; E53-R73 PolarHBondContact OE1-NH2 2.95Å; Y69-R73 HydrophobicContact CD2-CG 3.82Å; Y69-R73 HydrophobicContact CE2-CG 3.52Å; Y69-R73 HydrophobicContact CG-CG 4.5Å; Y69-R73 VanDerWaalsContact O-CB 3.28Å; Y69-R73 WeakPolarHBondContact O-CB 3.43Å; Y69-R73 WeakPolarHBondContact O-CG 3.22Å; Y69-R73 PolarHBondContact O-N 3.03Å; Y69-R73 PolarHBondContact OH-NE 3.09Å; Y69-R73 PolarHBondContact OH-NH2 3.27Å; R73-Q76 PolarHBondContact O-N 3.37Å; R73-V77 WeakPolarHBondContact O-CG2 3.13Å; R73-V77 PolarHBondContact O-N 2.68Å; R73-E89 IonicContact NH1-OE2 2.63Å; R73-E89 PolarHBondContact NH1-OE2 3.18Å; R73-V90 HydrophobicContact CB-CG1 4.47Å; R73-V90 HydrophobicContact CB-CG2 3.93Å |
| 74 | R | 80.1 | Confident | 77.6 | Confident | 51 Ų | 51 | 63.8 Ų | 63.8 | 19% | 0.192 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 172.2 | -76.2 | -176.6 | -63.5 | 168.4 | -2.1 | 113.1 | L70 R71 E72 Q76 V77 K78 V90 D110 F114 | L70-R74 WeakPolarHBondContact O-CB 3.49Å; L70-R74 VanDerWaalsContact O-CG 3.26Å; L70-R74 WeakPolarHBondContact O-CG 3.45Å; L70-R74 PolarHBondContact O-N 2.91Å; L70-R74 VanDerWaalsContact O-N 3.12Å; L70-R74 PolarHBondContact O-NE 2.88Å; R71-R74 PolarHBondContact O-N 2.95Å; E72-R74 VanDerWaalsContact C-N 3.25Å; E72-R74 PolarHBondContact O-N 2.84Å; R74-Q76 VanDerWaalsContact C-N 3.34Å; R74-Q76 PolarHBondContact O-N 3.32Å; R74-V77 PolarHBondContact O-N 3.4Å; R74-K78 PolarHBondContact O-N 3.3Å; R74-K78 VanDerWaalsContact O-N 3.08Å; R74-V90 HydrophobicContact CG-CG1 4.09Å; R74-D110 IonicContact CZ-OD1 2.65Å; R74-D110 IonicContact NH1-OD1 3.44Å; R74-D110 PolarHBondContact NH1-OD1 2.85Å; R74-D110 VanDerWaalsContact NH2-CG 3.28Å; R74-D110 IonicContact NH2-OD1 3.3Å; R74-D110 PolarHBondContact NH2-OD1 2.95Å; R74-D110 IonicContact NH2-OD2 3.54Å; R74-F114 HydrophobicContact CG-CD2 4.09Å; R74-F114 HydrophobicContact CG-CE2 4.25Å; R74-F114 HydrophobicContact CG-CG 4.46Å |
| 75 | K | 82 | Confident | 77.5 | Confident | 94 Ų | 94 | 61.6 Ų | 61.6 | 41% | 0.409 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 173.3 | -66.7 | -173.8 | -157.8 | 156.7 | 0 | 111.8 | R71 E72 V77 K78 | R71-K75 PolarHBondContact O-N 3.49Å; E72-K75 WeakPolarHBondContact O-CB 3.34Å; E72-K75 PolarHBondContact O-N 2.67Å; E72-K75 IonicContact OE1-NZ 3.67Å; E72-K75 WeakPolarHBondContact OE2-CD 3.38Å; E72-K75 VanDerWaalsContact OE2-CE 3.28Å; E72-K75 WeakPolarHBondContact OE2-CE 3.47Å; E72-K75 IonicContact OE2-NZ 3.82Å; E72-K75 PolarHBondContact OE2-NZ 3.14Å; K75-V77 PolarHBondContact O-N 3.47Å; K75-K78 PolarHBondContact O-N 3.41Å; K75-K78 VanDerWaalsContact O-N 3.16Å |
| 76 | Q | 78.2 | Confident | 77.3 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 15% | 0.145 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -21.7 | 179.9 | -67.5 | 171.5 | 14.4 | 0 | 0 | 113.9 | K45 N49 E72 R73 R74 | K45-Q76 HydrophobicContact CD-CG 4.28Å; K45-Q76 HydrophobicContact CG-CG 4.38Å; N49-Q76 PolarHBondContact ND2-OE1 3.49Å; N49-Q76 PolarHBondContact OD1-NE2 2.81Å; N49-Q76 PolarHBondContact OD1-OE1 3.35Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3.16Å; R73-Q76 PolarHBondContact O-N 3.37Å; R74-Q76 VanDerWaalsContact C-N 3.34Å; R74-Q76 PolarHBondContact O-N 3.32Å |
| 77 | V | 77.3 | Confident | 77.1 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.03 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -98.6 | -19.3 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 112.3 | R73 R74 K75 G79 K80 A86 Y87 V90 F114 | R73-V77 WeakPolarHBondContact O-CG2 3.13Å; R73-V77 PolarHBondContact O-N 2.68Å; R74-V77 PolarHBondContact O-N 3.4Å; K75-V77 PolarHBondContact O-N 3.47Å; V77-G79 PolarHBondContact O-N 3.09Å; V77-K80 WeakPolarHBondContact O-CB 3.46Å; V77-K80 PolarHBondContact O-N 2.89Å; V77-A86 HydrophobicContact CG2-CB 3.96Å; V77-Y87 HydrophobicContact CG1-CD1 3.67Å; V77-Y87 HydrophobicContact CG1-CD2 3.53Å; V77-Y87 HydrophobicContact CG1-CE1 3.46Å; V77-Y87 VanDerWaalsContact CG1-CE1 3.46Å; V77-Y87 HydrophobicContact CG1-CE2 3.29Å; V77-Y87 HydrophobicContact CG1-CG 3.71Å; V77-V90 HydrophobicContact CG2-CG2 3.62Å; V77-F114 HydrophobicContact CG1-CE2 4.44Å; V77-F114 HydrophobicContact CG1-CZ 4.32Å |
| 78 | K | 69.5 | Low | 76.9 | Confident | 186 Ų | 186 | 65 Ų | 65 | 81% | 0.809 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 108.4 | 176.8 | -165.8 | -179.7 | -177.9 | -172.3 | 0 | 110 | R74 K75 | R74-K78 PolarHBondContact O-N 3.3Å; R74-K78 VanDerWaalsContact O-N 3.08Å; K75-K78 PolarHBondContact O-N 3.41Å; K75-K78 VanDerWaalsContact O-N 3.16Å |
| 79 | G | 67.3 | Low | 76.8 | Confident | 82 Ų | 82 | 67.8 Ų | 67.8 | 85% | 0.845 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111 | 0.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V77 | V77-G79 PolarHBondContact O-N 3.09Š|
| 80 | K | 73.9 | Confident | 76.9 | Confident | 110 Ų | 110 | 67.8 Ų | 67.8 | 48% | 0.478 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -97 | 161.5 | 173 | -72.1 | -166.5 | 179.2 | -169.8 | 0 | 112.1 | V77 D84 A86 Y87 | V77-K80 WeakPolarHBondContact O-CB 3.46Å; V77-K80 PolarHBondContact O-N 2.89Å; K80-D84 WeakPolarHBondContact CB-OD2 3.26Å; K80-A86 HydrophobicContact CD-CB 4.29Å; K80-Y87 HydrophobicContact CB-CE2 4.24Å; K80-Y87 PolarHBondContact O-OH 2.91Å |
| 81 | C | 70.4 | Confident | 76.9 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 54% | 0.541 | 35% | 0.354 | S | S | . | . | trans | -72.1 | 141.4 | 178.5 | -74.3 | 0 | 0 | 0 | 0 | 110.7 | T83 D84 Y87 | C81-T83 PolarHBondContact O-N 2.76Å; C81-D84 PolarHBondContact N-OD2 3.31Å; C81-D84 VanDerWaalsContact O-CB 3.3Å; C81-D84 WeakPolarHBondContact O-CB 3.13Å; C81-D84 PolarHBondContact O-N 3Å; C81-Y87 VanDerWaalsContact O-CD2 3.26Å; C81-Y87 WeakPolarHBondContact O-CD2 3.13Å; C81-Y87 WeakPolarHBondContact O-CE2 3.45Å | ||
| 82 | I | 67.6 | Low | 77 | Confident | 77 Ų | 77 | 65.4 Ų | 65.4 | 40% | 0.395 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.9 | -175.8 | -61.6 | 171.3 | 0 | 0 | 0 | 112.6 | Q118 | I82-Q118 HydrophobicContact CG2-CB 4.2Å; I82-Q118 HydrophobicContact CG2-CG 4.43Å |
| 83 | T | 67.8 | Low | 77.1 | Confident | 130 Ų | 130 | 64.3 Ų | 64.3 | 80% | 0.798 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -11 | 174.8 | 48.2 | 0 | 0 | 0 | 0 | 114.6 | C81 | C81-T83 PolarHBondContact O-N 2.76Š|
| 84 | D | 76.1 | Confident | 77.1 | Confident | 57 Ų | 57 | 63.1 Ų | 63.1 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -68.5 | 138.8 | -175.1 | -71.5 | -26.2 | 0 | 0 | 0 | 111.7 | K80 C81 A86 Y87 | K80-D84 WeakPolarHBondContact CB-OD2 3.26Å; C81-D84 PolarHBondContact N-OD2 3.31Å; C81-D84 VanDerWaalsContact O-CB 3.3Å; C81-D84 WeakPolarHBondContact O-CB 3.13Å; C81-D84 PolarHBondContact O-N 3Å; D84-A86 PolarHBondContact O-N 3.16Å; D84-Y87 PolarHBondContact O-N 2.85Å |
| 85 | P | 78.1 | Confident | 77.3 | Confident | 95 Ų | 95 | 63.4 Ų | 63.4 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.2 | -25.4 | 177.9 | -28.7 | 35.4 | 0 | 0 | 0 | 114.3 | Y87 E88 E89 | P85-Y87 VanDerWaalsContact C-N 3.26Å; P85-Y87 PolarHBondContact O-N 3.16Å; P85-E88 WeakPolarHBondContact O-CA 3.3Å; P85-E88 WeakPolarHBondContact O-CB 3.17Å; P85-E88 PolarHBondContact O-N 2.78Å; P85-E89 PolarHBondContact O-N 3.15Å |
| 86 | A | 76.4 | Confident | 77.3 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 12% | 0.124 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.3 | -33.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V77 K80 D84 E88 E89 V90 | V77-A86 HydrophobicContact CG2-CB 3.96Å; K80-A86 HydrophobicContact CD-CB 4.29Å; D84-A86 PolarHBondContact O-N 3.16Å; A86-E88 VanDerWaalsContact C-N 3.28Å; A86-E88 PolarHBondContact O-N 3.1Å; A86-E89 PolarHBondContact O-N 3.04Å; A86-V90 WeakPolarHBondContact O-CG2 3.22Å; A86-V90 PolarHBondContact O-N 3.37Å |
| 87 | Y | 79.3 | Confident | 77.5 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 9% | 0.094 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.2 | -34.1 | 172.3 | -83.3 | -91.7 | 0 | 0 | 0 | 111.6 | V77 K80 C81 D84 P85 N91 F114 Q118 | V77-Y87 HydrophobicContact CG1-CD1 3.67Å; V77-Y87 HydrophobicContact CG1-CD2 3.53Å; V77-Y87 HydrophobicContact CG1-CE1 3.46Å; V77-Y87 VanDerWaalsContact CG1-CE1 3.46Å; V77-Y87 HydrophobicContact CG1-CE2 3.29Å; V77-Y87 HydrophobicContact CG1-CG 3.71Å; K80-Y87 HydrophobicContact CB-CE2 4.24Å; K80-Y87 PolarHBondContact O-OH 2.91Å; C81-Y87 VanDerWaalsContact O-CD2 3.26Å; C81-Y87 WeakPolarHBondContact O-CD2 3.13Å; C81-Y87 WeakPolarHBondContact O-CE2 3.45Å; D84-Y87 PolarHBondContact O-N 2.85Å; P85-Y87 VanDerWaalsContact C-N 3.26Å; P85-Y87 PolarHBondContact O-N 3.16Å; Y87-N91 WeakPolarHBondContact O-CB 3.42Å; Y87-N91 PolarHBondContact O-N 3.45Å; Y87-N91 PolarHBondContact O-ND2 2.94Å; Y87-F114 HydrophobicContact CD1-CE1 4.37Å; Y87-F114 AromaticContact CD1-CE2 3.94Å; Y87-F114 HydrophobicContact CD1-CE2 3.94Å; Y87-F114 AromaticContact CD1-CZ 3.53Å; Y87-F114 HydrophobicContact CD1-CZ 3.53Å; Y87-F114 AromaticContact CE1-CE2 3.88Å; Y87-F114 HydrophobicContact CE1-CE2 3.88Å; Y87-F114 AromaticContact CE1-CZ 3.96Å; Y87-F114 HydrophobicContact CE1-CZ 3.96Å; Y87-F114 HydrophobicContact CG-CZ 4.46Å; Y87-Q118 HydrophobicContact CD1-CG 3.81Å; Y87-Q118 HydrophobicContact CE1-CG 4.23Å |
| 88 | E | 79.3 | Confident | 77.7 | Confident | 91 Ų | 91 | 62.9 Ų | 62.9 | 43% | 0.425 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -76.2 | -36.6 | 178 | -51.1 | -141.4 | 136.3 | 0 | 0 | 111.7 | P85 A86 V90 N91 N92 K120 | P85-E88 WeakPolarHBondContact O-CA 3.3Å; P85-E88 WeakPolarHBondContact O-CB 3.17Å; P85-E88 PolarHBondContact O-N 2.78Å; A86-E88 VanDerWaalsContact C-N 3.28Å; A86-E88 PolarHBondContact O-N 3.1Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 3.01Å; E88-N91 PolarHBondContact O-N 3.5Å; E88-N92 WeakPolarHBondContact O-CB 3.47Å; E88-N92 PolarHBondContact O-N 3.09Å; E88-N92 PolarHBondContact O-ND2 3.26Å; E88-N92 PolarHBondContact O-OD1 3.03Å; E88-K120 IonicContact OE1-NZ 2.69Å; E88-K120 PolarHBondContact OE1-NZ 3.41Å |
| 89 | E | 80.4 | Confident | 78.3 | Confident | 100 Ų | 100 | 59 Ų | 59 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.8 | -45.3 | 168 | -71.5 | -179.4 | -150.9 | 0 | 0 | 112.4 | R73 P85 A86 N92 C93 | R73-E89 IonicContact NH1-OE2 2.63Å; R73-E89 PolarHBondContact NH1-OE2 3.18Å; P85-E89 PolarHBondContact O-N 3.15Å; A86-E89 PolarHBondContact O-N 3.04Å; E89-N92 PolarHBondContact O-N 2.94Å; E89-C93 WeakPolarHBondContact O-CB 3.35Å; E89-C93 PolarHBondContact O-N 3.34Å |
| 90 | V | 83.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 178.9 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | R73 R74 V77 A86 E88 C93 H94 F114 | R73-V90 HydrophobicContact CB-CG1 4.47Å; R73-V90 HydrophobicContact CB-CG2 3.93Å; R74-V90 HydrophobicContact CG-CG1 4.09Å; V77-V90 HydrophobicContact CG2-CG2 3.62Å; A86-V90 WeakPolarHBondContact O-CG2 3.22Å; A86-V90 PolarHBondContact O-N 3.37Å; E88-V90 VanDerWaalsContact C-N 3.35Å; E88-V90 PolarHBondContact O-N 3.01Å; V90-C93 WeakPolarHBondContact O-CB 3.42Å; V90-C93 PolarHBondContact O-N 2.87Å; V90-H94 PolarHBondContact O-CD2 3.28Å; V90-H94 PolarHBondContact O-N 3.43Å; V90-F114 HydrophobicContact CB-CE1 3.85Å; V90-F114 HydrophobicContact CB-CZ 3.94Å; V90-F114 HydrophobicContact CG1-CD1 4.17Å; V90-F114 HydrophobicContact CG1-CE1 3.48Å; V90-F114 VanDerWaalsContact CG1-CE1 3.48Å; V90-F114 HydrophobicContact CG1-CE2 4.5Å; V90-F114 HydrophobicContact CG1-CZ 3.68Å |
| 91 | N | 83.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 170.6 | -71.9 | -38.9 | 0 | 0 | 0 | 111.4 | Y87 E88 C93 H94 E95 Y111 Q118 R123 | Y87-N91 WeakPolarHBondContact O-CB 3.42Å; Y87-N91 PolarHBondContact O-N 3.45Å; Y87-N91 PolarHBondContact O-ND2 2.94Å; E88-N91 PolarHBondContact O-N 3.5Å; N91-C93 VanDerWaalsContact C-N 3.3Å; N91-C93 PolarHBondContact O-N 3.49Å; N91-H94 WeakPolarHBondContact O-CB 3.2Å; N91-H94 PolarHBondContact O-N 2.9Å; N91-E95 WeakPolarHBondContact O-CG 3.28Å; N91-E95 PolarHBondContact O-N 3.16Å; N91-Y111 HydrophobicContact CB-CE2 4.49Å; N91-Q118 PolarHBondContact ND2-NE2 3.45Å; N91-Q118 PolarHBondContact ND2-OE1 2.83Å; N91-Q118 PolarHBondContact OD1-NE2 2.75Å; N91-R123 PolarHBondContact ND2-NH1 2.83Å |
| 92 | N | 84.7 | Confident | 79 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 47% | 0.471 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.2 | -34.2 | 177.2 | -67.1 | -16.1 | 0 | 0 | 0 | 111.8 | E88 E89 E95 R96 | E88-N92 WeakPolarHBondContact O-CB 3.47Å; E88-N92 PolarHBondContact O-N 3.09Å; E88-N92 PolarHBondContact O-ND2 3.26Å; E88-N92 PolarHBondContact O-OD1 3.03Å; E89-N92 PolarHBondContact O-N 2.94Å; N92-E95 PolarHBondContact O-N 2.77Å; N92-R96 WeakPolarHBondContact O-CG 3.36Å; N92-R96 PolarHBondContact O-N 2.95Å |
| 93 | C | 82.4 | Confident | 79.4 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.054 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 172.6 | -172 | 0 | 0 | 0 | 0 | 111.8 | Y69 L70 E89 V90 N91 E95 R96 A97 | Y69-C93 VanDerWaalsContact CD1-SG 3.56Å; Y69-C93 WeakPolarHBondContact CE1-SG 3.47Å; L70-C93 HydrophobicContact CD2-CB 4.18Å; L70-C93 VanDerWaalsContact CD2-SG 3.58Å; E89-C93 WeakPolarHBondContact O-CB 3.35Å; E89-C93 PolarHBondContact O-N 3.34Å; V90-C93 WeakPolarHBondContact O-CB 3.42Å; V90-C93 PolarHBondContact O-N 2.87Å; N91-C93 VanDerWaalsContact C-N 3.3Å; N91-C93 PolarHBondContact O-N 3.49Å; C93-E95 VanDerWaalsContact C-N 3.34Å; C93-E95 PolarHBondContact O-N 2.89Å; C93-R96 PolarHBondContact O-N 3.18Å; C93-A97 WeakPolarHBondContact O-CB 3.38Å; C93-A97 PolarHBondContact O-N 3.19Å |
| 94 | H | 81.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 171.1 | -86.5 | -76.6 | 0 | 0 | 0 | 111.9 | L70 V90 N91 R96 A97 L98 Y111 | L70-H94 HydrophobicContact CD2-CB 4.4Å; V90-H94 PolarHBondContact O-CD2 3.28Å; V90-H94 PolarHBondContact O-N 3.43Å; N91-H94 WeakPolarHBondContact O-CB 3.2Å; N91-H94 PolarHBondContact O-N 2.9Å; H94-R96 PolarHBondContact O-N 2.97Å; H94-A97 WeakPolarHBondContact O-CB 3.17Å; H94-A97 PolarHBondContact O-N 2.95Å; H94-L98 WeakPolarHBondContact O-CB 3.45Å; H94-L98 VanDerWaalsContact O-CG 3.22Å; H94-L98 WeakPolarHBondContact O-CG 3.49Å; H94-L98 PolarHBondContact O-N 2.99Å; H94-Y111 HydrophobicContact CB-CD1 4.49Å; H94-Y111 HydrophobicContact CB-CD2 3.41Å; H94-Y111 VanDerWaalsContact CB-CD2 3.41Å; H94-Y111 HydrophobicContact CB-CE2 3.71Å; H94-Y111 HydrophobicContact CB-CG 3.87Å; H94-Y111 AromaticContact CD2-CD2 3.82Å; H94-Y111 AromaticContact CG-CD2 3.49Å; H94-Y111 VanDerWaalsContact CG-CD2 3.49Å; H94-Y111 AromaticContact CG-CG 3.95Å; H94-Y111 AromaticContact ND1-CD2 3.99Å |
| 95 | E | 82.8 | Confident | 80.1 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 27% | 0.271 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 178 | -70.4 | -173.7 | -149.7 | 0 | 0 | 112.2 | N91 N92 C93 L98 V99 Y111 R123 R130 | N91-E95 WeakPolarHBondContact O-CG 3.28Å; N91-E95 PolarHBondContact O-N 3.16Å; N92-E95 PolarHBondContact O-N 2.77Å; C93-E95 VanDerWaalsContact C-N 3.34Å; C93-E95 PolarHBondContact O-N 2.89Å; E95-L98 PolarHBondContact O-N 2.91Å; E95-V99 PolarHBondContact O-N 2.71Å; E95-Y111 HydrophobicContact CG-CE1 4.47Å; E95-Y111 PolarHBondContact OE1-OH 3.41Å; E95-R123 IonicContact OE1-CZ 2.92Å; E95-R123 IonicContact OE1-NE 3.38Å; E95-R123 IonicContact OE1-NH2 3.52Å; E95-R123 PolarHBondContact OE1-NH2 3.44Å; E95-R130 IonicContact OE2-NH1 3.35Å |
| 96 | R | 82.3 | Confident | 80.2 | Confident | 112 Ų | 112 | 56.9 Ų | 56.9 | 42% | 0.423 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 170 | -74.8 | 172.2 | 64.7 | -177.6 | -3.4 | 112.2 | E53 W66 N92 C93 H94 L98 V99 | E53-R96 IonicContact OE1-NH1 3.09Å; E53-R96 IonicContact OE2-NH1 2.7Å; E53-R96 PolarHBondContact OE2-NH1 3.45Å; E53-R96 IonicContact OE2-NH2 3.1Å; W66-R96 HydrophobicContact CH2-CB 3.87Å; W66-R96 HydrophobicContact CZ3-CB 4.48Å; N92-R96 WeakPolarHBondContact O-CG 3.36Å; N92-R96 PolarHBondContact O-N 2.95Å; C93-R96 PolarHBondContact O-N 3.18Å; H94-R96 PolarHBondContact O-N 2.97Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 2.68Å; R96-V99 WeakPolarHBondContact O-CB 3.03Å; R96-V99 PolarHBondContact O-N 3.11Å |
| 97 | A | 81.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.2 | -39.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W66 L70 C93 H94 V99 F100 M101 I107 | W66-A97 HydrophobicContact CD2-CB 3.74Å; W66-A97 HydrophobicContact CE3-CB 3.36Å; W66-A97 HydrophobicContact CG-CB 4.38Å; W66-A97 HydrophobicContact CH2-CB 4.25Å; W66-A97 HydrophobicContact CZ3-CB 3.65Å; L70-A97 HydrophobicContact CD1-CB 3.85Å; C93-A97 WeakPolarHBondContact O-CB 3.38Å; C93-A97 PolarHBondContact O-N 3.19Å; H94-A97 WeakPolarHBondContact O-CB 3.17Å; H94-A97 PolarHBondContact O-N 2.95Å; A97-V99 VanDerWaalsContact C-N 3.34Å; A97-V99 PolarHBondContact O-N 2.96Å; A97-F100 PolarHBondContact O-N 2.84Å; A97-M101 WeakPolarHBondContact O-CB 3.23Å; A97-M101 PolarHBondContact O-N 3.26Å; A97-I107 HydrophobicContact CB-CG2 4.47Å |
| 98 | L | 81.6 | Confident | 80.8 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.2 | -20.7 | -179.4 | -71.4 | 171.1 | 0 | 0 | 0 | 113.8 | H94 E95 R96 H102 I107 W108 Y111 | H94-L98 WeakPolarHBondContact O-CB 3.45Å; H94-L98 VanDerWaalsContact O-CG 3.22Å; H94-L98 WeakPolarHBondContact O-CG 3.49Å; H94-L98 PolarHBondContact O-N 2.99Å; E95-L98 PolarHBondContact O-N 2.91Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 2.68Å; L98-H102 WeakPolarHBondContact O-CA 3.43Å; L98-H102 VanDerWaalsContact O-CB 3.3Å; L98-H102 WeakPolarHBondContact O-CB 3.22Å; L98-H102 PolarHBondContact O-N 2.81Å; L98-H102 VanDerWaalsContact O-N 3.16Å; L98-I107 HydrophobicContact CD2-CB 4.48Å; L98-I107 HydrophobicContact CD2-CG2 3.82Å; L98-I107 HydrophobicContact CG-CG2 4.26Å; L98-W108 HydrophobicContact CD1-CD2 4.25Å; L98-W108 HydrophobicContact CD1-CE3 3.9Å; L98-W108 HydrophobicContact CD1-CH2 3.74Å; L98-W108 HydrophobicContact CD1-CZ2 4.09Å; L98-W108 HydrophobicContact CD1-CZ3 3.64Å; L98-W108 HydrophobicContact CD2-CD2 3.71Å; L98-W108 VanDerWaalsContact CD2-CE2 3.46Å; L98-W108 HydrophobicContact CD2-CE3 4.22Å; L98-W108 HydrophobicContact CD2-CG 4.1Å; L98-W108 HydrophobicContact CD2-CH2 4.31Å; L98-W108 HydrophobicContact CD2-CZ2 3.8Å; L98-W108 HydrophobicContact CG-CZ2 4.39Å; L98-Y111 HydrophobicContact CD1-CD1 3.69Å; L98-Y111 HydrophobicContact CD1-CE1 4.03Å; L98-Y111 HydrophobicContact CD1-CG 4.5Å |
| 99 | V | 82.3 | Confident | 81.1 | Confident | 103 Ų | 103 | 52.2 Ų | 52.2 | 62% | 0.624 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.8 | -48.6 | 170.9 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | E95 R96 A97 | E95-V99 PolarHBondContact O-N 2.71Å; R96-V99 WeakPolarHBondContact O-CB 3.03Å; R96-V99 PolarHBondContact O-N 3.11Å; A97-V99 VanDerWaalsContact C-N 3.34Å; A97-V99 PolarHBondContact O-N 2.96Å |
| 100 | F | 75 | Confident | 81.2 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -82.5 | -38 | -178.6 | -57.7 | -74.6 | 0 | 0 | 0 | 112.6 | P60 W66 A97 | P60-F100 HydrophobicContact CB-CD1 3.82Å; P60-F100 HydrophobicContact CB-CD2 4.38Å; P60-F100 HydrophobicContact CB-CE1 3.75Å; P60-F100 HydrophobicContact CB-CE2 4.32Å; P60-F100 HydrophobicContact CB-CG 4.14Å; P60-F100 HydrophobicContact CB-CZ 4.02Å; W66-F100 AromaticContact CZ2-CD2 3.99Å; W66-F100 HydrophobicContact CZ2-CD2 3.99Å; W66-F100 HydrophobicContact CZ2-CE2 4.37Å; A97-F100 PolarHBondContact O-N 2.84Å |
| 101 | M | 74.6 | Confident | 81.3 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -113.1 | 28.2 | -168 | -54.8 | -57.5 | -64.2 | 0 | 0 | 114.6 | Y63 A97 K103 M104 I107 | Y63-M101 HydrophobicContact CD2-CE 4.46Å; A97-M101 WeakPolarHBondContact O-CB 3.23Å; A97-M101 PolarHBondContact O-N 3.26Å; M101-K103 PolarHBondContact O-N 3.17Å; M101-M104 HydrophobicContact CE-CE 4.37Å; M101-M104 HydrophobicContact CE-CG 3.77Å; M101-M104 PolarHBondContact O-N 3.47Å; M101-I107 HydrophobicContact CB-CD1 3.69Å; M101-I107 HydrophobicContact CG-CD1 4.2Å |
| 102 | H | 76.5 | Confident | 81.2 | Confident | 81 Ų | 81 | 47.9 Ų | 47.9 | 38% | 0.375 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -26.8 | -176.5 | 60.9 | -86.9 | 0 | 0 | 0 | 115.6 | L98 M104 W108 | L98-H102 WeakPolarHBondContact O-CA 3.43Å; L98-H102 VanDerWaalsContact O-CB 3.3Å; L98-H102 WeakPolarHBondContact O-CB 3.22Å; L98-H102 PolarHBondContact O-N 2.81Å; L98-H102 VanDerWaalsContact O-N 3.16Å; H102-M104 VanDerWaalsContact C-N 3.35Å; H102-W108 PolarHBondContact O-NE1 3.22Å |
| 103 | K | 76.1 | Confident | 81.2 | Confident | 147 Ų | 147 | 48 Ų | 48 | 64% | 0.639 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6 | -179.3 | -58.1 | -171.8 | 179.2 | 177.7 | 0 | 114.6 | M101 P105 L135 | M101-K103 PolarHBondContact O-N 3.17Å; K103-P105 WeakPolarHBondContact O-CD 3.38Å; K103-L135 VanDerWaalsContact O-CD2 3.31Å; K103-L135 WeakPolarHBondContact O-CD2 3.37Å |
| 104 | M | 78.4 | Confident | 81.3 | Confident | 82 Ų | 82 | 48.5 Ų | 48.5 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | trans | -96.3 | 113.7 | -172.2 | -69 | -61.4 | 168 | 0 | 0 | 112.7 | M101 H102 R106 I107 | M101-M104 HydrophobicContact CE-CE 4.37Å; M101-M104 HydrophobicContact CE-CG 3.77Å; M101-M104 PolarHBondContact O-N 3.47Å; H102-M104 VanDerWaalsContact C-N 3.35Å; M104-R106 VanDerWaalsContact C-N 3.33Å; M104-R106 PolarHBondContact O-N 2.92Å; M104-I107 HydrophobicContact CB-CD1 4.4Å | ||
| 105 | P | 79.7 | Confident | 81.3 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -33.2 | -174.4 | -18.4 | 26.8 | 0 | 0 | 0 | 114.3 | K103 I107 W108 I109 L135 Q139 | K103-P105 WeakPolarHBondContact O-CD 3.38Å; P105-I107 PolarHBondContact O-N 3.07Å; P105-W108 WeakPolarHBondContact O-CB 3.37Å; P105-W108 PolarHBondContact O-N 3.02Å; P105-I109 WeakPolarHBondContact O-CG1 3.38Å; P105-I109 PolarHBondContact O-N 3.09Å; P105-L135 HydrophobicContact CB-CD1 4.3Å; P105-L135 HydrophobicContact CB-CD2 4.35Å; P105-L135 HydrophobicContact CG-CD2 4Å; P105-Q139 HydrophobicContact CG-CB 4.03Å; P105-Q139 HydrophobicContact CG-CG 3.7Å |
| 106 | R | 81.7 | Confident | 81.2 | Confident | 125 Ų | 125 | 47.9 Ų | 47.9 | 47% | 0.472 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.5 | -43.3 | -173.3 | -173.1 | 60.5 | -174.3 | -146.7 | 0.7 | 112.1 | Y67 M104 W108 I109 D110 | Y67-R106 HydrophobicContact CE2-CG 4.03Å; M104-R106 VanDerWaalsContact C-N 3.33Å; M104-R106 PolarHBondContact O-N 2.92Å; R106-W108 VanDerWaalsContact C-N 3.29Å; R106-W108 PolarHBondContact O-N 2.87Å; R106-I109 PolarHBondContact O-N 2.64Å; R106-D110 WeakPolarHBondContact CG-OD2 3.37Å; R106-D110 IonicContact NE-OD2 3.66Å; R106-D110 PolarHBondContact NE-OD2 3.45Å; R106-D110 WeakPolarHBondContact O-CB 3.26Å; R106-D110 PolarHBondContact O-N 3.25Å; R106-D110 VanDerWaalsContact O-OD2 3.06Å |
| 107 | I | 83 | Confident | 80.9 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -38 | 176.8 | -60.6 | 173 | 0 | 0 | 0 | 110.7 | Y63 L70 A97 L98 M101 M104 P105 Y111 | Y63-I107 HydrophobicContact CD2-CD1 4.07Å; Y63-I107 HydrophobicContact CE2-CD1 4.1Å; Y63-I107 HydrophobicContact CE2-CG1 4.07Å; L70-I107 HydrophobicContact CD1-CG2 4.01Å; A97-I107 HydrophobicContact CB-CG2 4.47Å; L98-I107 HydrophobicContact CD2-CB 4.48Å; L98-I107 HydrophobicContact CD2-CG2 3.82Å; L98-I107 HydrophobicContact CG-CG2 4.26Å; M101-I107 HydrophobicContact CB-CD1 3.69Å; M101-I107 HydrophobicContact CG-CD1 4.2Å; M104-I107 HydrophobicContact CB-CD1 4.4Å; P105-I107 PolarHBondContact O-N 3.07Å; I107-Y111 VanDerWaalsContact O-CB 3.26Å; I107-Y111 WeakPolarHBondContact O-CB 3.49Å; I107-Y111 PolarHBondContact O-N 3.28Å |
| 108 | W | 85.6 | Confident | 80.7 | Confident | 8 Ų | 8 | 46 Ų | 46 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -44 | 173.7 | -77.2 | 110.7 | 0 | 0 | 0 | 112.8 | L98 H102 P105 R106 Y111 C112 R130 A131 A134 L135 | L98-W108 HydrophobicContact CD1-CD2 4.25Å; L98-W108 HydrophobicContact CD1-CE3 3.9Å; L98-W108 HydrophobicContact CD1-CH2 3.74Å; L98-W108 HydrophobicContact CD1-CZ2 4.09Å; L98-W108 HydrophobicContact CD1-CZ3 3.64Å; L98-W108 HydrophobicContact CD2-CD2 3.71Å; L98-W108 VanDerWaalsContact CD2-CE2 3.46Å; L98-W108 HydrophobicContact CD2-CE3 4.22Å; L98-W108 HydrophobicContact CD2-CG 4.1Å; L98-W108 HydrophobicContact CD2-CH2 4.31Å; L98-W108 HydrophobicContact CD2-CZ2 3.8Å; L98-W108 HydrophobicContact CG-CZ2 4.39Å; H102-W108 PolarHBondContact O-NE1 3.22Å; P105-W108 WeakPolarHBondContact O-CB 3.37Å; P105-W108 PolarHBondContact O-N 3.02Å; R106-W108 VanDerWaalsContact C-N 3.29Å; R106-W108 PolarHBondContact O-N 2.87Å; W108-Y111 HydrophobicContact CE3-CD1 4.36Å; W108-Y111 HydrophobicContact CZ3-CD1 4.35Å; W108-Y111 PolarHBondContact O-N 3.46Å; W108-C112 VanDerWaalsContact O-CB 3.28Å; W108-C112 WeakPolarHBondContact O-CB 3.46Å; W108-C112 PolarHBondContact O-N 3.37Å; W108-C112 PolarHBondContact O-SG 2.96Å; W108-C112 VanDerWaalsContact O-SG 3.35Å; W108-R130 HydrophobicContact CH2-CB 3.77Å; W108-R130 HydrophobicContact CZ3-CB 4Å; W108-A131 HydrophobicContact CB-CB 4.13Å; W108-A131 HydrophobicContact CD2-CB 3.63Å; W108-A131 HydrophobicContact CE3-CB 3.42Å; W108-A131 VanDerWaalsContact CE3-CB 3.42Å; W108-A131 HydrophobicContact CG-CB 3.98Å; W108-A131 HydrophobicContact CZ3-CB 4.01Å; W108-A134 HydrophobicContact CZ2-CB 3.56Å; W108-L135 HydrophobicContact CB-CD1 4.11Å; W108-L135 HydrophobicContact CG-CD1 3.99Å |
| 109 | I | 84.7 | Confident | 80.2 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 176.1 | -70.4 | 163.4 | 0 | 0 | 0 | 110.3 | P105 R106 Y111 C112 Q113 R142 I143 L146 | P105-I109 WeakPolarHBondContact O-CG1 3.38Å; P105-I109 PolarHBondContact O-N 3.09Å; R106-I109 PolarHBondContact O-N 2.64Å; I109-Y111 VanDerWaalsContact C-N 3.32Å; I109-Y111 PolarHBondContact O-N 2.93Å; I109-C112 PolarHBondContact O-N 2.87Å; I109-Q113 WeakPolarHBondContact O-CB 3.46Å; I109-Q113 WeakPolarHBondContact O-CG 3.38Å; I109-Q113 PolarHBondContact O-N 3.49Å; I109-R142 HydrophobicContact CD1-CB 4.14Å; I109-I143 HydrophobicContact CG1-CG1 4.4Å; I109-L146 HydrophobicContact CB-CD1 4.49Å; I109-L146 HydrophobicContact CG1-CD1 4.33Å; I109-L146 HydrophobicContact CG2-CD1 3.78Å |
| 110 | D | 82.9 | Confident | 80 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -41 | 177.6 | -81.1 | -63.1 | 0 | 0 | 0 | 112 | Y67 R74 R106 F114 | Y67-D110 WeakPolarHBondContact CE2-OD2 3.44Å; R74-D110 IonicContact CZ-OD1 2.65Å; R74-D110 IonicContact NH1-OD1 3.44Å; R74-D110 PolarHBondContact NH1-OD1 2.85Å; R74-D110 VanDerWaalsContact NH2-CG 3.28Å; R74-D110 IonicContact NH2-OD1 3.3Å; R74-D110 PolarHBondContact NH2-OD1 2.95Å; R74-D110 IonicContact NH2-OD2 3.54Å; R106-D110 WeakPolarHBondContact CG-OD2 3.37Å; R106-D110 IonicContact NE-OD2 3.66Å; R106-D110 PolarHBondContact NE-OD2 3.45Å; R106-D110 WeakPolarHBondContact O-CB 3.26Å; R106-D110 PolarHBondContact O-N 3.25Å; R106-D110 VanDerWaalsContact O-OD2 3.06Å; D110-F114 WeakPolarHBondContact O-CB 3.22Å; D110-F114 PolarHBondContact O-N 2.88Å; D110-F114 VanDerWaalsContact O-N 3.1Å |
| 111 | Y | 84.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.8 | -45.7 | 176.6 | -175.9 | -140.7 | 0 | 0 | 0 | 112.3 | N91 H94 E95 L98 I107 W108 I109 Q113 F114 V115 T127 | N91-Y111 HydrophobicContact CB-CE2 4.49Å; H94-Y111 HydrophobicContact CB-CD1 4.49Å; H94-Y111 HydrophobicContact CB-CD2 3.41Å; H94-Y111 VanDerWaalsContact CB-CD2 3.41Å; H94-Y111 HydrophobicContact CB-CE2 3.71Å; H94-Y111 HydrophobicContact CB-CG 3.87Å; H94-Y111 AromaticContact CD2-CD2 3.82Å; H94-Y111 AromaticContact CG-CD2 3.49Å; H94-Y111 VanDerWaalsContact CG-CD2 3.49Å; H94-Y111 AromaticContact CG-CG 3.95Å; H94-Y111 AromaticContact ND1-CD2 3.99Å; E95-Y111 HydrophobicContact CG-CE1 4.47Å; E95-Y111 PolarHBondContact OE1-OH 3.41Å; L98-Y111 HydrophobicContact CD1-CD1 3.69Å; L98-Y111 HydrophobicContact CD1-CE1 4.03Å; L98-Y111 HydrophobicContact CD1-CG 4.5Å; I107-Y111 VanDerWaalsContact O-CB 3.26Å; I107-Y111 WeakPolarHBondContact O-CB 3.49Å; I107-Y111 PolarHBondContact O-N 3.28Å; W108-Y111 HydrophobicContact CE3-CD1 4.36Å; W108-Y111 HydrophobicContact CZ3-CD1 4.35Å; W108-Y111 PolarHBondContact O-N 3.46Å; I109-Y111 VanDerWaalsContact C-N 3.32Å; I109-Y111 PolarHBondContact O-N 2.93Å; Y111-Q113 PolarHBondContact O-N 3.31Å; Y111-F114 PolarHBondContact O-N 3.05Å; Y111-V115 HydrophobicContact CD2-CG2 3.7Å; Y111-V115 HydrophobicContact CE2-CG2 3.32Å; Y111-V115 HydrophobicContact CG-CG2 4.45Å; Y111-V115 WeakPolarHBondContact O-CG2 3.32Å; Y111-V115 PolarHBondContact O-N 3.01Å; Y111-T127 HydrophobicContact CD1-CG2 4.2Å; Y111-T127 HydrophobicContact CE1-CG2 3.41Å; Y111-T127 VanDerWaalsContact CE1-CG2 3.41Å |
| 112 | C | 83.4 | Confident | 80 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 177.9 | -78.3 | 0 | 0 | 0 | 0 | 111.6 | W108 I109 F114 V115 V116 F128 | W108-C112 VanDerWaalsContact O-CB 3.28Å; W108-C112 WeakPolarHBondContact O-CB 3.46Å; W108-C112 PolarHBondContact O-N 3.37Å; W108-C112 PolarHBondContact O-SG 2.96Å; W108-C112 VanDerWaalsContact O-SG 3.35Å; I109-C112 PolarHBondContact O-N 2.87Å; C112-F114 VanDerWaalsContact C-N 3.35Å; C112-F114 PolarHBondContact O-N 3.37Å; C112-V115 PolarHBondContact O-N 2.88Å; C112-V116 WeakPolarHBondContact O-CB 3.46Å; C112-V116 VanDerWaalsContact O-CG2 3.26Å; C112-V116 WeakPolarHBondContact O-CG2 3.35Å; C112-V116 PolarHBondContact O-N 3.49Å; C112-F128 HydrophobicContact CB-CD1 4.06Å; C112-F128 HydrophobicContact CB-CE1 3.57Å; C112-F128 HydrophobicContact CB-CZ 3.85Å; C112-F128 VanDerWaalsContact SG-CD1 3.58Å |
| 113 | Q | 84 | Confident | 80.1 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 174.3 | -72.5 | 175.5 | -16.6 | 0 | 0 | 111.9 | I109 Y111 V116 S117 L146 | I109-Q113 WeakPolarHBondContact O-CB 3.46Å; I109-Q113 WeakPolarHBondContact O-CG 3.38Å; I109-Q113 PolarHBondContact O-N 3.49Å; Y111-Q113 PolarHBondContact O-N 3.31Å; Q113-V116 PolarHBondContact O-N 2.83Å; Q113-S117 PolarHBondContact O-N 3.19Å; Q113-L146 HydrophobicContact CG-CD1 4.36Å |
| 114 | F | 83.4 | Confident | 80.3 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.6 | -41.7 | 177.1 | -175.4 | -116.2 | 0 | 0 | 0 | 112.7 | R74 V77 Y87 V90 D110 Y111 C112 S117 Q118 | R74-F114 HydrophobicContact CG-CD2 4.09Å; R74-F114 HydrophobicContact CG-CE2 4.25Å; R74-F114 HydrophobicContact CG-CG 4.46Å; V77-F114 HydrophobicContact CG1-CE2 4.44Å; V77-F114 HydrophobicContact CG1-CZ 4.32Å; Y87-F114 HydrophobicContact CD1-CE1 4.37Å; Y87-F114 AromaticContact CD1-CE2 3.94Å; Y87-F114 HydrophobicContact CD1-CE2 3.94Å; Y87-F114 AromaticContact CD1-CZ 3.53Å; Y87-F114 HydrophobicContact CD1-CZ 3.53Å; Y87-F114 AromaticContact CE1-CE2 3.88Å; Y87-F114 HydrophobicContact CE1-CE2 3.88Å; Y87-F114 AromaticContact CE1-CZ 3.96Å; Y87-F114 HydrophobicContact CE1-CZ 3.96Å; Y87-F114 HydrophobicContact CG-CZ 4.46Å; V90-F114 HydrophobicContact CB-CE1 3.85Å; V90-F114 HydrophobicContact CB-CZ 3.94Å; V90-F114 HydrophobicContact CG1-CD1 4.17Å; V90-F114 HydrophobicContact CG1-CE1 3.48Å; V90-F114 VanDerWaalsContact CG1-CE1 3.48Å; V90-F114 HydrophobicContact CG1-CE2 4.5Å; V90-F114 HydrophobicContact CG1-CZ 3.68Å; D110-F114 WeakPolarHBondContact O-CB 3.22Å; D110-F114 PolarHBondContact O-N 2.88Å; D110-F114 VanDerWaalsContact O-N 3.1Å; Y111-F114 PolarHBondContact O-N 3.05Å; C112-F114 VanDerWaalsContact C-N 3.35Å; C112-F114 PolarHBondContact O-N 3.37Å; F114-S117 PolarHBondContact O-N 2.94Å; F114-S117 PolarHBondContact O-OG 3.4Å; F114-Q118 PolarHBondContact O-N 2.94Å; F114-Q118 PolarHBondContact O-NE2 3.13Å |
| 115 | V | 81.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.8 | -31.9 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 112 | Y111 C112 Q118 R123 S124 T127 | Y111-V115 HydrophobicContact CD2-CG2 3.7Å; Y111-V115 HydrophobicContact CE2-CG2 3.32Å; Y111-V115 HydrophobicContact CG-CG2 4.45Å; Y111-V115 WeakPolarHBondContact O-CG2 3.32Å; Y111-V115 PolarHBondContact O-N 3.01Å; C112-V115 PolarHBondContact O-N 2.88Å; V115-Q118 WeakPolarHBondContact O-CB 3.15Å; V115-Q118 PolarHBondContact O-N 3.04Å; V115-R123 HydrophobicContact CG1-CB 4.04Å; V115-R123 HydrophobicContact CG1-CG 3.97Å; V115-S124 PolarHBondContact O-OG 3.28Å; V115-T127 HydrophobicContact CG2-CG2 4.48Å |
| 116 | V | 81.1 | Confident | 80.6 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 169.3 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | C112 Q113 Q118 C119 F128 F150 | C112-V116 WeakPolarHBondContact O-CB 3.46Å; C112-V116 VanDerWaalsContact O-CG2 3.26Å; C112-V116 WeakPolarHBondContact O-CG2 3.35Å; C112-V116 PolarHBondContact O-N 3.49Å; Q113-V116 PolarHBondContact O-N 2.83Å; V116-Q118 PolarHBondContact O-N 2.91Å; V116-Q118 VanDerWaalsContact O-N 3.13Å; V116-C119 PolarHBondContact O-N 3.34Å; V116-F128 HydrophobicContact CG2-CE2 3.68Å; V116-F128 HydrophobicContact CG2-CZ 3.91Å; V116-F150 HydrophobicContact CB-CD2 4.45Å; V116-F150 HydrophobicContact CG1-CD2 4.01Å; V116-F150 HydrophobicContact CG2-CB 4.27Å; V116-F150 HydrophobicContact CG2-CD2 3.75Å; V116-F150 HydrophobicContact CG2-CE2 4.29Å; V116-F150 HydrophobicContact CG2-CG 4.02Å |
| 117 | S | 77.4 | Confident | 80.7 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 46% | 0.462 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.6 | -14 | 176.2 | 72.4 | 0 | 0 | 0 | 0 | 115.1 | Q113 F114 | Q113-S117 PolarHBondContact O-N 3.19Å; F114-S117 PolarHBondContact O-N 2.94Å; F114-S117 PolarHBondContact O-OG 3.4Å |
| 118 | Q | 77.7 | Confident | 80.6 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -3.6 | 173.3 | -66.5 | 166 | 45.2 | 0 | 0 | 113.1 | I82 Y87 N91 F114 V115 V116 K120 | I82-Q118 HydrophobicContact CG2-CB 4.2Å; I82-Q118 HydrophobicContact CG2-CG 4.43Å; Y87-Q118 HydrophobicContact CD1-CG 3.81Å; Y87-Q118 HydrophobicContact CE1-CG 4.23Å; N91-Q118 PolarHBondContact ND2-NE2 3.45Å; N91-Q118 PolarHBondContact ND2-OE1 2.83Å; N91-Q118 PolarHBondContact OD1-NE2 2.75Å; F114-Q118 PolarHBondContact O-N 2.94Å; F114-Q118 PolarHBondContact O-NE2 3.13Å; V115-Q118 WeakPolarHBondContact O-CB 3.15Å; V115-Q118 PolarHBondContact O-N 3.04Å; V116-Q118 PolarHBondContact O-N 2.91Å; V116-Q118 VanDerWaalsContact O-N 3.13Å; Q118-K120 HydrophobicContact CB-CG 4.35Å; Q118-K120 PolarHBondContact O-N 3.02Å |
| 119 | C | 70.9 | Confident | 80.4 | Confident | 97 Ų | 97 | 45.8 Ų | 45.8 | 66% | 0.655 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 12.3 | -176.2 | -60.6 | 0 | 0 | 0 | 0 | 115.8 | V116 I121 | V116-C119 PolarHBondContact O-N 3.34Å; C119-I121 VanDerWaalsContact C-N 3.32Å; C119-I121 PolarHBondContact O-N 3.24Å |
| 120 | K | 77 | Confident | 80.4 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | trans | -77.2 | 74.7 | -179.1 | -73.1 | -179 | 176.8 | 175.2 | 0 | 110.9 | E88 Q118 T122 R123 S124 | E88-K120 IonicContact OE1-NZ 2.69Å; E88-K120 PolarHBondContact OE1-NZ 3.41Å; Q118-K120 HydrophobicContact CB-CG 4.35Å; Q118-K120 PolarHBondContact O-N 3.02Å; K120-T122 VanDerWaalsContact C-N 3.32Å; K120-T122 PolarHBondContact O-N 2.95Å; K120-T122 VanDerWaalsContact O-N 3.08Å; K120-R123 HydrophobicContact CB-CB 4Å; K120-R123 WeakPolarHBondContact O-CA 3.23Å; K120-R123 WeakPolarHBondContact O-CB 3.18Å; K120-R123 PolarHBondContact O-N 3.41Å; K120-S124 PolarHBondContact O-N 3.36Å; K120-S124 PolarHBondContact O-OG 3.38Å | ||
| 121 | I | 72.5 | Confident | 80.4 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 36% | 0.359 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -41.9 | -50.6 | -170.5 | -54.4 | 174.1 | 0 | 0 | 0 | 113.9 | C119 S124 R125 F150 L154 | C119-I121 VanDerWaalsContact C-N 3.32Å; C119-I121 PolarHBondContact O-N 3.24Å; I121-S124 PolarHBondContact O-N 2.87Å; I121-R125 PolarHBondContact O-N 3.42Å; I121-F150 HydrophobicContact CG2-CZ 4.36Å; I121-L154 HydrophobicContact CD1-CD2 3.84Å; I121-L154 HydrophobicContact CG1-CD2 3.88Å; I121-L154 HydrophobicContact CG2-CD1 3.98Å; I121-L154 HydrophobicContact CG2-CD2 4.32Å |
| 122 | T | 77.8 | Confident | 80.2 | Confident | 102 Ų | 102 | 49.9 Ų | 49.9 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -70 | -32 | -177.9 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | K120 R126 | K120-T122 VanDerWaalsContact C-N 3.32Å; K120-T122 PolarHBondContact O-N 2.95Å; K120-T122 VanDerWaalsContact O-N 3.08Å; T122-R126 WeakPolarHBondContact O-CB 3.35Å; T122-R126 VanDerWaalsContact O-CG 3.27Å; T122-R126 WeakPolarHBondContact O-CG 3.11Å; T122-R126 PolarHBondContact O-N 2.96Å |
| 123 | R | 79.1 | Confident | 80.2 | Confident | 54 Ų | 54 | 59 Ų | 59 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.1 | -49 | 173 | -162.6 | 177.5 | -170.5 | 150.4 | 8.5 | 109.5 | N91 E95 V115 K120 R125 R126 T127 | N91-R123 PolarHBondContact ND2-NH1 2.83Å; E95-R123 IonicContact OE1-CZ 2.92Å; E95-R123 IonicContact OE1-NE 3.38Å; E95-R123 IonicContact OE1-NH2 3.52Å; E95-R123 PolarHBondContact OE1-NH2 3.44Å; V115-R123 HydrophobicContact CG1-CB 4.04Å; V115-R123 HydrophobicContact CG1-CG 3.97Å; K120-R123 HydrophobicContact CB-CB 4Å; K120-R123 WeakPolarHBondContact O-CA 3.23Å; K120-R123 WeakPolarHBondContact O-CB 3.18Å; K120-R123 PolarHBondContact O-N 3.41Å; R123-R125 VanDerWaalsContact C-N 3.35Å; R123-R125 PolarHBondContact O-N 3.01Å; R123-R126 CarbonylContact O-C 3.57Å; R123-R126 PolarHBondContact O-N 2.89Å; R123-R126 VanDerWaalsContact O-N 3.11Å; R123-T127 HydrophobicContact CG-CG2 4.41Å; R123-T127 WeakPolarHBondContact O-CG2 3.39Å; R123-T127 PolarHBondContact O-N 3.16Å; R123-T127 PolarHBondContact O-OG1 3.31Å |
| 124 | S | 80 | Confident | 80.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.1 | -49.4 | 176.2 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | V115 K120 I121 R126 T127 F128 F150 | V115-S124 PolarHBondContact O-OG 3.28Å; K120-S124 PolarHBondContact O-N 3.36Å; K120-S124 PolarHBondContact O-OG 3.38Å; I121-S124 PolarHBondContact O-N 2.87Å; S124-R126 PolarHBondContact O-N 2.92Å; S124-T127 WeakPolarHBondContact CA-OG1 3.3Å; S124-T127 PolarHBondContact O-N 2.78Å; S124-T127 PolarHBondContact O-OG1 3.26Å; S124-F128 WeakPolarHBondContact O-CD2 3.48Å; S124-F128 PolarHBondContact O-N 3.34Å; S124-F150 VanDerWaalsContact CB-CZ 3.47Å |
| 125 | R | 80.2 | Confident | 79.9 | Confident | 113 Ų | 113 | 55.8 Ų | 55.8 | 43% | 0.426 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -46 | 177.2 | -165.9 | 179.9 | 67.2 | 82.3 | -16.6 | 112 | I121 R123 T127 D129 Y147 | I121-R125 PolarHBondContact O-N 3.42Å; R123-R125 VanDerWaalsContact C-N 3.35Å; R123-R125 PolarHBondContact O-N 3.01Å; R125-T127 VanDerWaalsContact C-N 3.35Å; R125-T127 PolarHBondContact O-N 3.29Å; R125-D129 IonicContact NH1-OD2 3.2Å; R125-D129 PolarHBondContact NH1-OD2 2.97Å; R125-D129 VanDerWaalsContact O-CB 3.28Å; R125-D129 WeakPolarHBondContact O-CB 3.3Å; R125-D129 PolarHBondContact O-N 3.21Å; R125-Y147 WeakPolarHBondContact CG-OH 3.23Å |
| 126 | R | 83.1 | Confident | 79.8 | Confident | 173 Ų | 173 | 59.3 Ų | 59.3 | 65% | 0.653 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -65.8 | -33.3 | 178.1 | -74.1 | 174.4 | 178.8 | -176.6 | 1.4 | 112.6 | T122 R123 S124 R130 | T122-R126 WeakPolarHBondContact O-CB 3.35Å; T122-R126 VanDerWaalsContact O-CG 3.27Å; T122-R126 WeakPolarHBondContact O-CG 3.11Å; T122-R126 PolarHBondContact O-N 2.96Å; R123-R126 CarbonylContact O-C 3.57Å; R123-R126 PolarHBondContact O-N 2.89Å; R123-R126 VanDerWaalsContact O-N 3.11Å; S124-R126 PolarHBondContact O-N 2.92Å; R126-R130 WeakPolarHBondContact O-CB 3.38Å; R126-R130 VanDerWaalsContact O-CG 3.23Å; R126-R130 WeakPolarHBondContact O-CG 3.46Å; R126-R130 PolarHBondContact O-N 3.23Å |
| 127 | T | 83.9 | Confident | 79.5 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -75.1 | -42.2 | 177.7 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | Y111 V115 R123 S124 R125 R130 A131 | Y111-T127 HydrophobicContact CD1-CG2 4.2Å; Y111-T127 HydrophobicContact CE1-CG2 3.41Å; Y111-T127 VanDerWaalsContact CE1-CG2 3.41Å; V115-T127 HydrophobicContact CG2-CG2 4.48Å; R123-T127 HydrophobicContact CG-CG2 4.41Å; R123-T127 WeakPolarHBondContact O-CG2 3.39Å; R123-T127 PolarHBondContact O-N 3.16Å; R123-T127 PolarHBondContact O-OG1 3.31Å; S124-T127 WeakPolarHBondContact CA-OG1 3.3Å; S124-T127 PolarHBondContact O-N 2.78Å; S124-T127 PolarHBondContact O-OG1 3.26Å; R125-T127 VanDerWaalsContact C-N 3.35Å; R125-T127 PolarHBondContact O-N 3.29Å; T127-R130 PolarHBondContact O-N 3.22Å; T127-A131 WeakPolarHBondContact O-CB 3.47Å; T127-A131 PolarHBondContact O-N 3.17Å |
| 128 | F | 81.8 | Confident | 79.5 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 168.8 | -76.6 | -64.9 | 0 | 0 | 0 | 111.9 | C112 V116 S124 R130 A131 L132 I143 L146 Y147 F150 | C112-F128 HydrophobicContact CB-CD1 4.06Å; C112-F128 HydrophobicContact CB-CE1 3.57Å; C112-F128 HydrophobicContact CB-CZ 3.85Å; C112-F128 VanDerWaalsContact SG-CD1 3.58Å; V116-F128 HydrophobicContact CG2-CE2 3.68Å; V116-F128 HydrophobicContact CG2-CZ 3.91Å; S124-F128 WeakPolarHBondContact O-CD2 3.48Å; S124-F128 PolarHBondContact O-N 3.34Å; F128-R130 VanDerWaalsContact C-N 3.31Å; F128-R130 PolarHBondContact O-N 3.06Å; F128-A131 PolarHBondContact O-N 3.27Å; F128-L132 WeakPolarHBondContact O-CG 3.36Å; F128-L132 PolarHBondContact O-N 3.5Å; F128-I143 HydrophobicContact CD1-CG2 3.86Å; F128-I143 HydrophobicContact CE1-CG2 4.33Å; F128-L146 HydrophobicContact CE1-CB 4.17Å; F128-L146 HydrophobicContact CZ-CB 4.41Å; F128-Y147 HydrophobicContact CB-CD1 4.1Å; F128-Y147 HydrophobicContact CB-CD2 3.86Å; F128-Y147 HydrophobicContact CB-CE1 3.98Å; F128-Y147 HydrophobicContact CB-CE2 3.75Å; F128-Y147 HydrophobicContact CB-CG 4.03Å; F128-Y147 HydrophobicContact CD1-CD2 4.18Å; F128-Y147 HydrophobicContact CD1-CG 4.04Å; F128-Y147 AromaticContact CD2-CD2 3.46Å; F128-Y147 HydrophobicContact CD2-CD2 3.46Å; F128-Y147 VanDerWaalsContact CD2-CD2 3.46Å; F128-Y147 AromaticContact CD2-CE2 3.75Å; F128-Y147 HydrophobicContact CD2-CE2 3.75Å; F128-Y147 HydrophobicContact CD2-CG 4.15Å; F128-Y147 AromaticContact CE2-CD2 3.98Å; F128-Y147 HydrophobicContact CE2-CD2 3.98Å; F128-Y147 HydrophobicContact CG-CD1 4.39Å; F128-Y147 AromaticContact CG-CD2 3.59Å; F128-Y147 HydrophobicContact CG-CD2 3.59Å; F128-Y147 AromaticContact CG-CE2 3.93Å; F128-Y147 HydrophobicContact CG-CE2 3.93Å; F128-Y147 AromaticContact CG-CG 3.84Å; F128-Y147 HydrophobicContact CG-CG 3.84Å; F128-F150 HydrophobicContact CD2-CD1 4.28Å; F128-F150 HydrophobicContact CE2-CB 4.22Å; F128-F150 AromaticContact CE2-CD1 3.91Å; F128-F150 HydrophobicContact CE2-CD1 3.91Å; F128-F150 HydrophobicContact CE2-CG 4.13Å |
| 129 | D | 82 | Confident | 79.6 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 177.1 | -77.8 | -24.5 | 0 | 0 | 0 | 112.9 | R125 R133 Y147 R166 | R125-D129 IonicContact NH1-OD2 3.2Å; R125-D129 PolarHBondContact NH1-OD2 2.97Å; R125-D129 VanDerWaalsContact O-CB 3.28Å; R125-D129 WeakPolarHBondContact O-CB 3.3Å; R125-D129 PolarHBondContact O-N 3.21Å; D129-R133 VanDerWaalsContact O-CG 3.3Å; D129-R133 WeakPolarHBondContact O-CG 3.49Å; D129-R133 PolarHBondContact O-N 3.28Å; D129-Y147 PolarHBondContact OD1-OH 3.41Å; D129-R166 IonicContact OD1-CZ 3.89Å; D129-R166 IonicContact OD1-NH1 2.94Å; D129-R166 PolarHBondContact OD1-NH1 3.47Å |
| 130 | R | 83.6 | Confident | 79.9 | Confident | 109 Ų | 109 | 62 Ų | 62 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -72.7 | -42.5 | 173.6 | -76.7 | 170.9 | 72.4 | -177.5 | 2.6 | 111.7 | E95 W108 R126 T127 F128 L132 R133 A134 | E95-R130 IonicContact OE2-NH1 3.35Å; W108-R130 HydrophobicContact CH2-CB 3.77Å; W108-R130 HydrophobicContact CZ3-CB 4Å; R126-R130 WeakPolarHBondContact O-CB 3.38Å; R126-R130 VanDerWaalsContact O-CG 3.23Å; R126-R130 WeakPolarHBondContact O-CG 3.46Å; R126-R130 PolarHBondContact O-N 3.23Å; T127-R130 PolarHBondContact O-N 3.22Å; F128-R130 VanDerWaalsContact C-N 3.31Å; F128-R130 PolarHBondContact O-N 3.06Å; R130-L132 PolarHBondContact O-N 3.26Å; R130-R133 PolarHBondContact O-N 2.86Å; R130-R133 VanDerWaalsContact O-N 3.11Å; R130-A134 WeakPolarHBondContact O-CB 3.44Å; R130-A134 PolarHBondContact O-N 3.35Å |
| 131 | A | 83.6 | Confident | 80 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | W108 T127 F128 R133 A134 L135 I143 | W108-A131 HydrophobicContact CB-CB 4.13Å; W108-A131 HydrophobicContact CD2-CB 3.63Å; W108-A131 HydrophobicContact CE3-CB 3.42Å; W108-A131 VanDerWaalsContact CE3-CB 3.42Å; W108-A131 HydrophobicContact CG-CB 3.98Å; W108-A131 HydrophobicContact CZ3-CB 4.01Å; T127-A131 WeakPolarHBondContact O-CB 3.47Å; T127-A131 PolarHBondContact O-N 3.17Å; F128-A131 PolarHBondContact O-N 3.27Å; A131-R133 PolarHBondContact O-N 3.12Å; A131-A134 PolarHBondContact O-N 3.11Å; A131-L135 WeakPolarHBondContact O-CB 3.38Å; A131-L135 WeakPolarHBondContact O-CG 3.2Å; A131-L135 PolarHBondContact O-N 3.47Å; A131-I143 HydrophobicContact CB-CD1 3.89Å |
| 132 | L | 80.7 | Confident | 80.3 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.2 | -18.3 | 176.9 | -68 | 172.2 | 0 | 0 | 0 | 114.1 | F128 R130 H140 I143 W144 Y147 | F128-L132 WeakPolarHBondContact O-CG 3.36Å; F128-L132 PolarHBondContact O-N 3.5Å; R130-L132 PolarHBondContact O-N 3.26Å; L132-H140 HydrophobicContact CD2-CB 4.12Å; L132-H140 PolarHBondContact O-CE1 2.83Å; L132-H140 PolarHBondContact O-NE2 2.85Å; L132-H140 VanDerWaalsContact O-NE2 3.12Å; L132-I143 HydrophobicContact CD2-CB 4.2Å; L132-I143 HydrophobicContact CD2-CG2 3.93Å; L132-I143 HydrophobicContact CG-CG2 4.17Å; L132-W144 HydrophobicContact CD1-CD2 4.45Å; L132-W144 HydrophobicContact CD1-CE3 4.48Å; L132-W144 HydrophobicContact CD1-CH2 3.75Å; L132-W144 HydrophobicContact CD1-CZ2 3.68Å; L132-W144 HydrophobicContact CD1-CZ3 4.15Å; L132-W144 HydrophobicContact CD2-CZ2 4.31Å; L132-Y147 HydrophobicContact CD1-CD1 4.17Å; L132-Y147 HydrophobicContact CD1-CE1 4.2Å |
| 133 | R | 83.1 | Confident | 80.5 | Confident | 192 Ų | 192 | 61.9 Ų | 61.9 | 73% | 0.725 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -87.1 | -33.8 | 171.3 | -70.2 | 174.6 | -156.1 | -176.6 | 4.3 | 112.6 | D129 R130 A131 | D129-R133 VanDerWaalsContact O-CG 3.3Å; D129-R133 WeakPolarHBondContact O-CG 3.49Å; D129-R133 PolarHBondContact O-N 3.28Å; R130-R133 PolarHBondContact O-N 2.86Å; R130-R133 VanDerWaalsContact O-N 3.11Å; A131-R133 PolarHBondContact O-N 3.12Å |
| 134 | A | 81.6 | Confident | 80.6 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 26% | 0.264 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -81.3 | -25.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W108 R130 A131 | W108-A134 HydrophobicContact CZ2-CB 3.56Å; R130-A134 WeakPolarHBondContact O-CB 3.44Å; R130-A134 PolarHBondContact O-N 3.35Å; A131-A134 PolarHBondContact O-N 3.11Å |
| 135 | L | 80.4 | Confident | 80.7 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -101.9 | 144.2 | -174.7 | -67.9 | 167.6 | 0 | 0 | 0 | 112.6 | K103 P105 W108 A131 Q139 H140 I143 | K103-L135 VanDerWaalsContact O-CD2 3.31Å; K103-L135 WeakPolarHBondContact O-CD2 3.37Å; P105-L135 HydrophobicContact CB-CD1 4.3Å; P105-L135 HydrophobicContact CB-CD2 4.35Å; P105-L135 HydrophobicContact CG-CD2 4Å; W108-L135 HydrophobicContact CB-CD1 4.11Å; W108-L135 HydrophobicContact CG-CD1 3.99Å; A131-L135 WeakPolarHBondContact O-CB 3.38Å; A131-L135 WeakPolarHBondContact O-CG 3.2Å; A131-L135 PolarHBondContact O-N 3.47Å; L135-Q139 HydrophobicContact CB-CB 4.4Å; L135-H140 PolarHBondContact O-NE2 2.81Å; L135-I143 HydrophobicContact CD1-CD1 3.27Å |
| 136 | P | 79.2 | Confident | 80.6 | Confident | 74 Ų | 74 | 59.5 Ų | 59.5 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | trans | -59.7 | 151.9 | 172 | -22.2 | 33.4 | 0 | 0 | 0 | 112.6 | T138 Q139 H140 | P136-T138 PolarHBondContact O-N 3.49Å; P136-T138 VanDerWaalsContact O-N 3.12Å; P136-Q139 PolarHBondContact O-N 3.48Å; P136-H140 PolarHBondContact O-CD2 3.38Å | ||
| 137 | V | 74.9 | Confident | 80.4 | Confident | 91 Ų | 91 | 51.4 Ų | 51.4 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -53.1 | -35.7 | -179.5 | 176.5 | 0 | 0 | 0 | 0 | 112.5 | Q139 H140 P141 L170 | V137-Q139 PolarHBondContact O-N 3.48Å; V137-Q139 VanDerWaalsContact O-N 3.1Å; V137-H140 WeakPolarHBondContact O-CB 3.37Å; V137-H140 PolarHBondContact O-N 3.09Å; V137-P141 WeakPolarHBondContact O-CD 3.18Å; V137-L170 HydrophobicContact CG1-CD1 3.99Å; V137-L170 HydrophobicContact CG1-CD2 4.47Å; V137-L170 HydrophobicContact CG1-CG 4.43Å; V137-L170 HydrophobicContact CG2-CD1 4.45Å |
| 138 | T | 77.6 | Confident | 80.1 | Confident | 116 Ų | 116 | 51.8 Ų | 51.8 | 71% | 0.712 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -60.6 | -19.3 | 176.6 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | P136 | P136-T138 PolarHBondContact O-N 3.49Å; P136-T138 VanDerWaalsContact O-N 3.12Å |
| 139 | Q | 77.8 | Confident | 79.9 | Confident | 48 Ų | 48 | 61 Ų | 61 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -100.6 | -9.1 | 177.8 | -62.1 | -68.4 | -27.3 | 0 | 0 | 112.8 | P105 L135 P136 V137 P141 R142 | P105-Q139 HydrophobicContact CG-CB 4.03Å; P105-Q139 HydrophobicContact CG-CG 3.7Å; L135-Q139 HydrophobicContact CB-CB 4.4Å; P136-Q139 PolarHBondContact O-N 3.48Å; V137-Q139 PolarHBondContact O-N 3.48Å; V137-Q139 VanDerWaalsContact O-N 3.1Å; Q139-P141 VanDerWaalsContact C-CD 3.45Å; Q139-R142 PolarHBondContact O-N 2.97Å |
| 140 | H | 78.8 | Confident | 79.6 | Confident | 16 Ų | 16 | 61 Ų | 61 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -60.2 | -36.5 | 179.7 | -69.6 | -164 | 0 | 0 | 0 | 113.6 | L132 L135 P136 V137 R142 I143 W144 L170 | L132-H140 HydrophobicContact CD2-CB 4.12Å; L132-H140 PolarHBondContact O-CE1 2.83Å; L132-H140 PolarHBondContact O-NE2 2.85Å; L132-H140 VanDerWaalsContact O-NE2 3.12Å; L135-H140 PolarHBondContact O-NE2 2.81Å; P136-H140 PolarHBondContact O-CD2 3.38Å; V137-H140 WeakPolarHBondContact O-CB 3.37Å; V137-H140 PolarHBondContact O-N 3.09Å; H140-R142 PolarHBondContact O-N 3.23Å; H140-I143 PolarHBondContact O-N 3.46Å; H140-W144 PolarHBondContact O-N 2.96Å; H140-W144 VanDerWaalsContact O-N 3.09Å; H140-L170 HydrophobicContact CB-CD2 3.81Å; H140-L170 WeakPolarHBondContact ND1-CD2 3.32Å |
| 141 | P | 78.9 | Confident | 79.1 | Confident | 89 Ų | 89 | 56 Ų | 56 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -57.6 | -19.3 | 175.6 | -27.9 | 36.5 | 0 | 0 | 0 | 115 | V137 Q139 P145 | V137-P141 WeakPolarHBondContact O-CD 3.18Å; Q139-P141 VanDerWaalsContact C-CD 3.45Å; P141-P145 WeakPolarHBondContact O-CD 3.45Å; P141-P145 WeakPolarHBondContact O-CG 3.44Å |
| 142 | R | 78.1 | Confident | 78.5 | Confident | 153 Ų | 153 | 61 Ų | 61 | 58% | 0.577 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -83.9 | -14.8 | 176.3 | -64.2 | 176.9 | 170.4 | 174.6 | -11.2 | 113.8 | I109 Q139 H140 | I109-R142 HydrophobicContact CD1-CB 4.14Å; Q139-R142 PolarHBondContact O-N 2.97Å; H140-R142 PolarHBondContact O-N 3.23Å |
| 143 | I | 81.5 | Confident | 78 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -38.1 | -176.9 | -69.1 | 176 | 0 | 0 | 0 | 111.1 | I109 F128 A131 L132 L135 H140 L146 Y147 | I109-I143 HydrophobicContact CG1-CG1 4.4Å; F128-I143 HydrophobicContact CD1-CG2 3.86Å; F128-I143 HydrophobicContact CE1-CG2 4.33Å; A131-I143 HydrophobicContact CB-CD1 3.89Å; L132-I143 HydrophobicContact CD2-CB 4.2Å; L132-I143 HydrophobicContact CD2-CG2 3.93Å; L132-I143 HydrophobicContact CG-CG2 4.17Å; L135-I143 HydrophobicContact CD1-CD1 3.27Å; H140-I143 PolarHBondContact O-N 3.46Å; I143-L146 PolarHBondContact O-N 2.7Å; I143-L146 VanDerWaalsContact O-N 3.17Å; I143-Y147 PolarHBondContact O-N 3.2Å |
| 144 | W | 81.8 | Confident | 77.2 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 3% | 0.03 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.6 | -48.4 | -179.1 | -74.2 | 119.8 | 0 | 0 | 0 | 113.6 | L132 H140 L146 Y147 L148 V163 R166 Y167 | L132-W144 HydrophobicContact CD1-CD2 4.45Å; L132-W144 HydrophobicContact CD1-CE3 4.48Å; L132-W144 HydrophobicContact CD1-CH2 3.75Å; L132-W144 HydrophobicContact CD1-CZ2 3.68Å; L132-W144 HydrophobicContact CD1-CZ3 4.15Å; L132-W144 HydrophobicContact CD2-CZ2 4.31Å; H140-W144 PolarHBondContact O-N 2.96Å; H140-W144 VanDerWaalsContact O-N 3.09Å; W144-L146 VanDerWaalsContact C-N 3.26Å; W144-L146 PolarHBondContact O-N 2.96Å; W144-Y147 AromaticContact CE3-CD1 3.86Å; W144-Y147 HydrophobicContact CE3-CD1 3.86Å; W144-Y147 AromaticContact CZ3-CD1 3.67Å; W144-Y147 HydrophobicContact CZ3-CD1 3.67Å; W144-Y147 HydrophobicContact CZ3-CE1 4.08Å; W144-Y147 CarbonylContact O-C 3.59Å; W144-Y147 WeakPolarHBondContact O-CA 3.29Å; W144-Y147 PolarHBondContact O-N 2.95Å; W144-L148 VanDerWaalsContact O-CG 3.31Å; W144-L148 WeakPolarHBondContact O-CG 3.46Å; W144-L148 PolarHBondContact O-N 2.86Å; W144-V163 HydrophobicContact CZ3-CG1 3.93Å; W144-R166 HydrophobicContact CH2-CB 4.49Å; W144-R166 HydrophobicContact CH2-CG 4.21Å; W144-Y167 HydrophobicContact CB-CD2 4.05Å; W144-Y167 HydrophobicContact CB-CE2 3.52Å; W144-Y167 AromaticContact CD1-CD2 3.9Å; W144-Y167 AromaticContact CD1-CE2 3.79Å; W144-Y167 AromaticContact CD2-CD2 3.34Å; W144-Y167 HydrophobicContact CD2-CD2 3.34Å; W144-Y167 AromaticContact CD2-CE2 3.8Å; W144-Y167 HydrophobicContact CD2-CE2 3.8Å; W144-Y167 HydrophobicContact CD2-CG 4.25Å; W144-Y167 AromaticContact CE2-CD2 3.69Å; W144-Y167 AromaticContact CE3-CD2 3.61Å; W144-Y167 HydrophobicContact CE3-CD2 3.61Å; W144-Y167 HydrophobicContact CE3-CE2 4.28Å; W144-Y167 HydrophobicContact CE3-CG 4.06Å; W144-Y167 AromaticContact CG-CD2 3.54Å; W144-Y167 HydrophobicContact CG-CD2 3.54Å; W144-Y167 AromaticContact CG-CE2 3.44Å; W144-Y167 HydrophobicContact CG-CE2 3.44Å; W144-Y167 VanDerWaalsContact CG-CE2 3.44Å; W144-Y167 HydrophobicContact CH2-CD2 4.45Å; W144-Y167 HydrophobicContact CZ2-CD2 4.24Å; W144-Y167 HydrophobicContact CZ3-CD2 4.15Å; W144-Y167 HydrophobicContact CZ3-CG 4.3Å; W144-Y167 AromaticContact NE1-CD2 3.99Å |
| 145 | P | 82.6 | Confident | 76.4 | Confident | 64 Ų | 64 | 60.6 Ų | 60.6 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.8 | -34.7 | 178.8 | -26.4 | 35.8 | 0 | 0 | 0 | 114 | P141 R149 | P141-P145 WeakPolarHBondContact O-CD 3.45Å; P141-P145 WeakPolarHBondContact O-CG 3.44Å; P145-R149 WeakPolarHBondContact O-CB 3.37Å; P145-R149 WeakPolarHBondContact O-CG 3.41Å; P145-R149 PolarHBondContact O-N 2.74Å |
| 146 | L | 78.4 | Confident | 75.8 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.7 | -34.9 | 175.4 | -64 | 173.5 | 0 | 0 | 0 | 111.9 | I109 Q113 F128 I143 W144 F150 | I109-L146 HydrophobicContact CB-CD1 4.49Å; I109-L146 HydrophobicContact CG1-CD1 4.33Å; I109-L146 HydrophobicContact CG2-CD1 3.78Å; Q113-L146 HydrophobicContact CG-CD1 4.36Å; F128-L146 HydrophobicContact CE1-CB 4.17Å; F128-L146 HydrophobicContact CZ-CB 4.41Å; I143-L146 PolarHBondContact O-N 2.7Å; I143-L146 VanDerWaalsContact O-N 3.17Å; W144-L146 VanDerWaalsContact C-N 3.26Å; W144-L146 PolarHBondContact O-N 2.96Å; L146-F150 WeakPolarHBondContact O-CB 3.26Å; L146-F150 PolarHBondContact O-N 2.83Å; L146-F150 VanDerWaalsContact O-N 3.15Å |
| 147 | Y | 78.8 | Confident | 75.2 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.3 | -39 | 177.2 | -163.9 | -166.3 | 0 | 0 | 0 | 111.7 | R125 F128 D129 L132 I143 W144 F150 V151 V163 | R125-Y147 WeakPolarHBondContact CG-OH 3.23Å; F128-Y147 HydrophobicContact CB-CD1 4.1Å; F128-Y147 HydrophobicContact CB-CD2 3.86Å; F128-Y147 HydrophobicContact CB-CE1 3.98Å; F128-Y147 HydrophobicContact CB-CE2 3.75Å; F128-Y147 HydrophobicContact CB-CG 4.03Å; F128-Y147 HydrophobicContact CD1-CD2 4.18Å; F128-Y147 HydrophobicContact CD1-CG 4.04Å; F128-Y147 AromaticContact CD2-CD2 3.46Å; F128-Y147 HydrophobicContact CD2-CD2 3.46Å; F128-Y147 VanDerWaalsContact CD2-CD2 3.46Å; F128-Y147 AromaticContact CD2-CE2 3.75Å; F128-Y147 HydrophobicContact CD2-CE2 3.75Å; F128-Y147 HydrophobicContact CD2-CG 4.15Å; F128-Y147 AromaticContact CE2-CD2 3.98Å; F128-Y147 HydrophobicContact CE2-CD2 3.98Å; F128-Y147 HydrophobicContact CG-CD1 4.39Å; F128-Y147 AromaticContact CG-CD2 3.59Å; F128-Y147 HydrophobicContact CG-CD2 3.59Å; F128-Y147 AromaticContact CG-CE2 3.93Å; F128-Y147 HydrophobicContact CG-CE2 3.93Å; F128-Y147 AromaticContact CG-CG 3.84Å; F128-Y147 HydrophobicContact CG-CG 3.84Å; D129-Y147 PolarHBondContact OD1-OH 3.41Å; L132-Y147 HydrophobicContact CD1-CD1 4.17Å; L132-Y147 HydrophobicContact CD1-CE1 4.2Å; I143-Y147 PolarHBondContact O-N 3.2Å; W144-Y147 AromaticContact CE3-CD1 3.86Å; W144-Y147 HydrophobicContact CE3-CD1 3.86Å; W144-Y147 AromaticContact CZ3-CD1 3.67Å; W144-Y147 HydrophobicContact CZ3-CD1 3.67Å; W144-Y147 HydrophobicContact CZ3-CE1 4.08Å; W144-Y147 CarbonylContact O-C 3.59Å; W144-Y147 WeakPolarHBondContact O-CA 3.29Å; W144-Y147 PolarHBondContact O-N 2.95Å; Y147-F150 HydrophobicContact CD2-CD1 4.16Å; Y147-F150 HydrophobicContact CE2-CD1 4.38Å; Y147-F150 PolarHBondContact O-N 3.25Å; Y147-V151 HydrophobicContact CD2-CG2 4.27Å; Y147-V151 HydrophobicContact CE2-CG2 4.38Å; Y147-V151 WeakPolarHBondContact O-CB 3.42Å; Y147-V151 VanDerWaalsContact O-CG2 3.29Å; Y147-V151 WeakPolarHBondContact O-CG2 3.43Å; Y147-V151 PolarHBondContact O-N 2.9Å; Y147-V163 HydrophobicContact CD1-CG1 3.72Å; Y147-V163 HydrophobicContact CD2-CG1 4.44Å; Y147-V163 HydrophobicContact CE1-CB 4.47Å; Y147-V163 HydrophobicContact CE1-CG1 3.57Å; Y147-V163 HydrophobicContact CE1-CG2 4.02Å; Y147-V163 HydrophobicContact CE2-CG1 4.31Å; Y147-V163 HydrophobicContact CE2-CG2 4.03Å; Y147-V163 HydrophobicContact CG-CG1 4.19Å; Y147-V163 WeakPolarHBondContact OH-CG2 3.33Å |
| 148 | L | 76.2 | Confident | 74.9 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 176.3 | -62.9 | 178.7 | 0 | 0 | 0 | 111.8 | W144 F150 V151 H152 Y164 Y167 | W144-L148 VanDerWaalsContact O-CG 3.31Å; W144-L148 WeakPolarHBondContact O-CG 3.46Å; W144-L148 PolarHBondContact O-N 2.86Å; L148-F150 VanDerWaalsContact C-N 3.3Å; L148-F150 PolarHBondContact O-N 3.04Å; L148-V151 CarbonylContact O-C 3.49Å; L148-V151 WeakPolarHBondContact O-CA 3.44Å; L148-V151 WeakPolarHBondContact O-CB 3.41Å; L148-V151 PolarHBondContact O-N 3.2Å; L148-H152 PolarHBondContact O-N 3.04Å; L148-Y164 HydrophobicContact CD2-CD1 4.23Å; L148-Y164 HydrophobicContact CD2-CE1 3.76Å; L148-Y164 HydrophobicContact CD2-CE2 4.07Å; L148-Y167 HydrophobicContact CD1-CD1 4.13Å; L148-Y167 HydrophobicContact CD1-CE1 3.54Å; L148-Y167 HydrophobicContact CD2-CD1 4.31Å |
| 149 | R | 77.5 | Confident | 74.4 | Confident | 196 Ų | 196 | 62.8 Ų | 62.8 | 74% | 0.74 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.6 | -42.5 | 172 | -77.2 | 179.5 | 177.7 | -174.8 | -0.7 | 112.3 | P145 S153 | P145-R149 WeakPolarHBondContact O-CB 3.37Å; P145-R149 WeakPolarHBondContact O-CG 3.41Å; P145-R149 PolarHBondContact O-N 2.74Å; R149-S153 PolarHBondContact O-N 2.98Å |
| 150 | F | 77.2 | Confident | 74 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 7% | 0.066 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 173.4 | 171.5 | -112.4 | 0 | 0 | 0 | 111.6 | V116 I121 S124 F128 L146 Y147 L148 S153 L154 | V116-F150 HydrophobicContact CB-CD2 4.45Å; V116-F150 HydrophobicContact CG1-CD2 4.01Å; V116-F150 HydrophobicContact CG2-CB 4.27Å; V116-F150 HydrophobicContact CG2-CD2 3.75Å; V116-F150 HydrophobicContact CG2-CE2 4.29Å; V116-F150 HydrophobicContact CG2-CG 4.02Å; I121-F150 HydrophobicContact CG2-CZ 4.36Å; S124-F150 VanDerWaalsContact CB-CZ 3.47Å; F128-F150 HydrophobicContact CD2-CD1 4.28Å; F128-F150 HydrophobicContact CE2-CB 4.22Å; F128-F150 AromaticContact CE2-CD1 3.91Å; F128-F150 HydrophobicContact CE2-CD1 3.91Å; F128-F150 HydrophobicContact CE2-CG 4.13Å; L146-F150 WeakPolarHBondContact O-CB 3.26Å; L146-F150 PolarHBondContact O-N 2.83Å; L146-F150 VanDerWaalsContact O-N 3.15Å; Y147-F150 HydrophobicContact CD2-CD1 4.16Å; Y147-F150 HydrophobicContact CE2-CD1 4.38Å; Y147-F150 PolarHBondContact O-N 3.25Å; L148-F150 VanDerWaalsContact C-N 3.3Å; L148-F150 PolarHBondContact O-N 3.04Å; F150-S153 PolarHBondContact O-N 3.25Å; F150-S153 PolarHBondContact O-OG 2.91Å; F150-L154 HydrophobicContact CD1-CD1 4.34Å; F150-L154 HydrophobicContact CE1-CD1 3.78Å; F150-L154 HydrophobicContact CE2-CD1 4.23Å; F150-L154 HydrophobicContact CE2-CD2 4.25Å; F150-L154 HydrophobicContact CE2-CG 4.38Å; F150-L154 HydrophobicContact CZ-CD1 3.72Å; F150-L154 HydrophobicContact CZ-CD2 4.34Å; F150-L154 HydrophobicContact CZ-CG 4.34Å; F150-L154 WeakPolarHBondContact O-CG 3.17Å |
| 151 | V | 72.9 | Confident | 73.6 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 178 | 158 | 0 | 0 | 0 | 0 | 112.8 | Y147 L148 S153 L154 A160 V163 Y164 | Y147-V151 HydrophobicContact CD2-CG2 4.27Å; Y147-V151 HydrophobicContact CE2-CG2 4.38Å; Y147-V151 WeakPolarHBondContact O-CB 3.42Å; Y147-V151 VanDerWaalsContact O-CG2 3.29Å; Y147-V151 WeakPolarHBondContact O-CG2 3.43Å; Y147-V151 PolarHBondContact O-N 2.9Å; L148-V151 CarbonylContact O-C 3.49Å; L148-V151 WeakPolarHBondContact O-CA 3.44Å; L148-V151 WeakPolarHBondContact O-CB 3.41Å; L148-V151 PolarHBondContact O-N 3.2Å; V151-S153 VanDerWaalsContact C-N 3.26Å; V151-S153 PolarHBondContact O-N 3.1Å; V151-L154 PolarHBondContact O-N 3.11Å; V151-A160 VanDerWaalsContact CG1-CA 3.44Å; V151-A160 HydrophobicContact CG1-CB 3.25Å; V151-V163 HydrophobicContact CG2-CB 4.09Å; V151-V163 HydrophobicContact CG2-CG1 4.05Å; V151-V163 HydrophobicContact CG2-CG2 4.07Å; V151-Y164 HydrophobicContact CG1-CD2 4.41Å; V151-Y164 HydrophobicContact CG1-CE2 4.04Å |
| 152 | H | 70.3 | Confident | 73.3 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -32 | 174.3 | -76.6 | -171 | 0 | 0 | 0 | 112.9 | L148 L154 Y164 Y181 | L148-H152 PolarHBondContact O-N 3.04Å; H152-L154 PolarHBondContact O-N 3.27Å; H152-Y164 AromaticContact NE2-CZ 3.89Å; H152-Y164 PolarHBondContact NE2-OH 3.22Å; H152-Y181 AromaticContact CD2-CD2 3.41Å; H152-Y181 VanDerWaalsContact CD2-CD2 3.41Å; H152-Y181 WeakPolarHBondContact CD2-CD2 3.45Å; H152-Y181 AromaticContact CD2-CE2 3.59Å; H152-Y181 AromaticContact NE2-CD2 3.27Å; H152-Y181 VanDerWaalsContact NE2-CD2 3.27Å; H152-Y181 WeakPolarHBondContact NE2-CD2 3.49Å; H152-Y181 AromaticContact NE2-CE2 3.96Å; H152-Y181 AromaticContact NE2-CG 3.87Å |
| 153 | S | 70.2 | Confident | 73 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -4.2 | 177.9 | 72.2 | 0 | 0 | 0 | 0 | 114.8 | R149 F150 V151 | R149-S153 PolarHBondContact O-N 2.98Å; F150-S153 PolarHBondContact O-N 3.25Å; F150-S153 PolarHBondContact O-OG 2.91Å; V151-S153 VanDerWaalsContact C-N 3.26Å; V151-S153 PolarHBondContact O-N 3.1Å |
| 154 | L | 67.5 | Low | 72.5 | Confident | 21 Ų | 21 | 58.7 Ų | 58.7 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | trans | -103.1 | 130.3 | -176.9 | -67.2 | 175.5 | 0 | 0 | 0 | 112.2 | I121 F150 V151 H152 L156 | I121-L154 HydrophobicContact CD1-CD2 3.84Å; I121-L154 HydrophobicContact CG1-CD2 3.88Å; I121-L154 HydrophobicContact CG2-CD1 3.98Å; I121-L154 HydrophobicContact CG2-CD2 4.32Å; F150-L154 HydrophobicContact CD1-CD1 4.34Å; F150-L154 HydrophobicContact CE1-CD1 3.78Å; F150-L154 HydrophobicContact CE2-CD1 4.23Å; F150-L154 HydrophobicContact CE2-CD2 4.25Å; F150-L154 HydrophobicContact CE2-CG 4.38Å; F150-L154 HydrophobicContact CZ-CD1 3.72Å; F150-L154 HydrophobicContact CZ-CD2 4.34Å; F150-L154 HydrophobicContact CZ-CG 4.34Å; F150-L154 WeakPolarHBondContact O-CG 3.17Å; V151-L154 PolarHBondContact O-N 3.11Å; H152-L154 PolarHBondContact O-N 3.27Å; L154-L156 PolarHBondContact O-N 2.78Å | ||
| 155 | P | 64.1 | Low | 72.1 | Confident | 119 Ų | 119 | 63.3 Ų | 63.3 | 77% | 0.773 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -76.8 | 28.2 | 177 | 34.4 | -37.8 | 0 | 0 | 0 | 113.5 | P157 | P155-P157 WeakPolarHBondContact O-CD 3.48Š|
| 156 | L | 68.4 | Low | 71.6 | Confident | 90 Ų | 90 | 64.5 Ų | 64.5 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | trans | -123.7 | 84.7 | -176.7 | -68.9 | 179.1 | 0 | 0 | 0 | 111.4 | L154 E158 T159 | L154-L156 PolarHBondContact O-N 2.78Å; L156-E158 VanDerWaalsContact C-N 3.31Å; L156-E158 PolarHBondContact O-N 2.75Å; L156-T159 HydrophobicContact CB-CG2 4.33Å; L156-T159 PolarHBondContact O-N 3.16Å; L156-T159 VanDerWaalsContact O-N 3.13Å; L156-T159 PolarHBondContact O-OG1 2.95Å | ||
| 157 | P | 65.1 | Low | 71.2 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -52.8 | -41.5 | -175.9 | -30.1 | 36.6 | 0 | 0 | 0 | 114.3 | P155 T159 A160 L161 V185 | P155-P157 WeakPolarHBondContact O-CD 3.48Å; P157-T159 PolarHBondContact O-N 2.94Å; P157-T159 VanDerWaalsContact O-N 3.16Å; P157-A160 CarbonylContact O-C 3.58Å; P157-A160 WeakPolarHBondContact O-CA 3.42Å; P157-A160 VanDerWaalsContact O-CB 3.22Å; P157-A160 WeakPolarHBondContact O-CB 3.23Å; P157-A160 PolarHBondContact O-N 3.46Å; P157-L161 WeakPolarHBondContact O-CG 3.48Å; P157-L161 PolarHBondContact O-N 2.92Å; P157-V185 HydrophobicContact CB-CG1 3.91Å; P157-V185 HydrophobicContact CG-CG1 3.95Å |
| 158 | E | 68.2 | Low | 70.7 | Confident | 151 Ų | 151 | 64.1 Ų | 64.1 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.3 | -33.2 | -177.4 | -61.7 | -172.4 | 173.6 | 0 | 0 | 113.8 | L156 R162 | L156-E158 VanDerWaalsContact C-N 3.31Å; L156-E158 PolarHBondContact O-N 2.75Å; E158-R162 VanDerWaalsContact O-CG 3.27Å; E158-R162 WeakPolarHBondContact O-CG 3.47Å; E158-R162 PolarHBondContact O-N 3.32Å |
| 159 | T | 69.1 | Low | 70.6 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 28% | 0.276 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.3 | -38.9 | 176 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | L156 P157 R162 V163 | L156-T159 HydrophobicContact CB-CG2 4.33Å; L156-T159 PolarHBondContact O-N 3.16Å; L156-T159 VanDerWaalsContact O-N 3.13Å; L156-T159 PolarHBondContact O-OG1 2.95Å; P157-T159 PolarHBondContact O-N 2.94Å; P157-T159 VanDerWaalsContact O-N 3.16Å; T159-R162 PolarHBondContact O-N 3.15Å; T159-V163 WeakPolarHBondContact O-CG2 3.23Å; T159-V163 PolarHBondContact O-N 3.34Å; T159-V163 VanDerWaalsContact O-N 3.13Å |
| 160 | A | 68.4 | Low | 70 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -53.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V151 P157 R162 V163 Y164 Y181 | V151-A160 VanDerWaalsContact CG1-CA 3.44Å; V151-A160 HydrophobicContact CG1-CB 3.25Å; P157-A160 CarbonylContact O-C 3.58Å; P157-A160 WeakPolarHBondContact O-CA 3.42Å; P157-A160 VanDerWaalsContact O-CB 3.22Å; P157-A160 WeakPolarHBondContact O-CB 3.23Å; P157-A160 PolarHBondContact O-N 3.46Å; A160-R162 PolarHBondContact O-N 2.74Å; A160-V163 PolarHBondContact O-N 2.99Å; A160-Y164 WeakPolarHBondContact O-CD2 3.06Å; A160-Y164 PolarHBondContact O-N 3.32Å; A160-Y181 HydrophobicContact CB-CE1 3.46Å; A160-Y181 VanDerWaalsContact CB-CE1 3.46Å; A160-Y181 WeakPolarHBondContact CB-OH 3.26Å |
| 161 | L | 69.9 | Low | 69.4 | Low | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.2 | -40.6 | 179.5 | -60.3 | -178.2 | 0 | 0 | 0 | 111.7 | P157 R165 Y178 L182 | P157-L161 WeakPolarHBondContact O-CG 3.48Å; P157-L161 PolarHBondContact O-N 2.92Å; L161-R165 VanDerWaalsContact O-CB 3.24Å; L161-R165 WeakPolarHBondContact O-CB 3.06Å; L161-R165 WeakPolarHBondContact O-CD 3.48Å; L161-R165 WeakPolarHBondContact O-CG 3.41Å; L161-R165 PolarHBondContact O-N 2.99Å; L161-Y178 HydrophobicContact CD2-CE2 3.79Å; L161-Y178 WeakPolarHBondContact CD2-OH 3.3Å; L161-L182 HydrophobicContact CD2-CD2 3.48Å; L161-L182 VanDerWaalsContact CD2-CD2 3.48Å; L161-L182 HydrophobicContact CD2-CG 4.43Å |
| 162 | R | 72.4 | Confident | 69.1 | Low | 196 Ų | 196 | 70.6 Ų | 70.6 | 74% | 0.74 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -72 | -30.7 | 178.6 | -67.3 | 175.6 | 90.9 | 163.7 | 10.2 | 113.2 | E158 T159 A160 R166 | E158-R162 VanDerWaalsContact O-CG 3.27Å; E158-R162 WeakPolarHBondContact O-CG 3.47Å; E158-R162 PolarHBondContact O-N 3.32Å; T159-R162 PolarHBondContact O-N 3.15Å; A160-R162 PolarHBondContact O-N 2.74Å; R162-R166 PolarHBondContact O-N 3.38Å |
| 163 | V | 72.6 | Confident | 68.8 | Low | 10 Ų | 10 | 70.3 Ų | 70.3 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.6 | -48.1 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | W144 Y147 V151 T159 A160 R166 Y167 | W144-V163 HydrophobicContact CZ3-CG1 3.93Å; Y147-V163 HydrophobicContact CD1-CG1 3.72Å; Y147-V163 HydrophobicContact CD2-CG1 4.44Å; Y147-V163 HydrophobicContact CE1-CB 4.47Å; Y147-V163 HydrophobicContact CE1-CG1 3.57Å; Y147-V163 HydrophobicContact CE1-CG2 4.02Å; Y147-V163 HydrophobicContact CE2-CG1 4.31Å; Y147-V163 HydrophobicContact CE2-CG2 4.03Å; Y147-V163 HydrophobicContact CG-CG1 4.19Å; Y147-V163 WeakPolarHBondContact OH-CG2 3.33Å; V151-V163 HydrophobicContact CG2-CB 4.09Å; V151-V163 HydrophobicContact CG2-CG1 4.05Å; V151-V163 HydrophobicContact CG2-CG2 4.07Å; T159-V163 WeakPolarHBondContact O-CG2 3.23Å; T159-V163 PolarHBondContact O-N 3.34Å; T159-V163 VanDerWaalsContact O-N 3.13Å; A160-V163 PolarHBondContact O-N 2.99Å; V163-R166 CarbonylContact O-C 3.59Å; V163-R166 WeakPolarHBondContact O-CA 3.44Å; V163-R166 WeakPolarHBondContact O-CB 3.42Å; V163-R166 PolarHBondContact O-N 2.97Å; V163-Y167 PolarHBondContact O-N 3.36Å |
| 164 | Y | 71.6 | Confident | 68.8 | Low | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 175.4 | -86.8 | -77.5 | 0 | 0 | 0 | 112.8 | L148 V151 H152 A160 R166 Y167 L168 Y178 Y181 | L148-Y164 HydrophobicContact CD2-CD1 4.23Å; L148-Y164 HydrophobicContact CD2-CE1 3.76Å; L148-Y164 HydrophobicContact CD2-CE2 4.07Å; V151-Y164 HydrophobicContact CG1-CD2 4.41Å; V151-Y164 HydrophobicContact CG1-CE2 4.04Å; H152-Y164 AromaticContact NE2-CZ 3.89Å; H152-Y164 PolarHBondContact NE2-OH 3.22Å; A160-Y164 WeakPolarHBondContact O-CD2 3.06Å; A160-Y164 PolarHBondContact O-N 3.32Å; Y164-R166 PolarHBondContact O-N 2.62Å; Y164-Y167 HydrophobicContact CD1-CD1 4.27Å; Y164-Y167 HydrophobicContact CE1-CD1 4.48Å; Y164-Y167 WeakPolarHBondContact O-CB 3.11Å; Y164-Y167 PolarHBondContact O-N 3.17Å; Y164-L168 WeakPolarHBondContact O-CG 3.34Å; Y164-L168 PolarHBondContact O-N 2.92Å; Y164-Y178 AromaticContact CD1-CD2 3.54Å; Y164-Y178 HydrophobicContact CD1-CD2 3.54Å; Y164-Y178 HydrophobicContact CD1-CE2 4.47Å; Y164-Y178 AromaticContact CD1-CG 3.98Å; Y164-Y178 HydrophobicContact CD1-CG 3.98Å; Y164-Y178 AromaticContact CD2-CD2 3.89Å; Y164-Y178 HydrophobicContact CD2-CD2 3.89Å; Y164-Y178 HydrophobicContact CD2-CE2 4.26Å; Y164-Y178 HydrophobicContact CE1-CD2 4.34Å; Y164-Y178 AromaticContact CG-CD2 3.28Å; Y164-Y178 HydrophobicContact CG-CD2 3.28Å; Y164-Y178 AromaticContact CG-CE2 3.81Å; Y164-Y178 HydrophobicContact CG-CE2 3.81Å; Y164-Y178 HydrophobicContact CG-CG 4.14Å; Y164-Y181 HydrophobicContact CD2-CD1 4.21Å; Y164-Y181 AromaticContact CE2-CD1 3.99Å; Y164-Y181 HydrophobicContact CE2-CD1 3.99Å; Y164-Y181 HydrophobicContact CE2-CE1 4.46Å; Y164-Y181 HydrophobicContact CE2-CG 4.08Å |
| 165 | R | 72.1 | Confident | 68.9 | Low | 105 Ų | 105 | 66.5 Ų | 66.5 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.4 | -17.8 | 174.1 | -71.5 | 170.4 | -169.7 | -168.8 | 7.5 | 113.8 | L161 E190 | L161-R165 VanDerWaalsContact O-CB 3.24Å; L161-R165 WeakPolarHBondContact O-CB 3.06Å; L161-R165 WeakPolarHBondContact O-CD 3.48Å; L161-R165 WeakPolarHBondContact O-CG 3.41Å; L161-R165 PolarHBondContact O-N 2.99Å; R165-E190 IonicContact CZ-OE2 2.61Å; R165-E190 IonicContact NE-OE2 2.68Å; R165-E190 IonicContact NH2-OE1 3.55Å; R165-E190 PolarHBondContact NH2-OE1 3.37Å; R165-E190 IonicContact NH2-OE2 2.96Å; R165-E190 PolarHBondContact NH2-OE2 2.82Å |
| 166 | R | 72.9 | Confident | 69.3 | Low | 90 Ų | 90 | 61.3 Ų | 61.3 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -91.8 | -35.8 | 170.8 | -177 | 177 | 170 | -161.8 | -9.7 | 112.5 | D129 W144 R162 V163 Y164 K169 | D129-R166 IonicContact OD1-CZ 3.89Å; D129-R166 IonicContact OD1-NH1 2.94Å; D129-R166 PolarHBondContact OD1-NH1 3.47Å; W144-R166 HydrophobicContact CH2-CB 4.49Å; W144-R166 HydrophobicContact CH2-CG 4.21Å; R162-R166 PolarHBondContact O-N 3.38Å; V163-R166 CarbonylContact O-C 3.59Å; V163-R166 WeakPolarHBondContact O-CA 3.44Å; V163-R166 WeakPolarHBondContact O-CB 3.42Å; V163-R166 PolarHBondContact O-N 2.97Å; Y164-R166 PolarHBondContact O-N 2.62Å; R166-K169 PolarHBondContact O-N 3.34Å |
| 167 | Y | 70.2 | Confident | 69.5 | Low | 17 Ų | 17 | 61.4 Ų | 61.4 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 174.2 | -178 | -134.3 | 0 | 0 | 0 | 111.6 | W144 L148 V163 Y164 K169 L170 S171 N174 | W144-Y167 HydrophobicContact CB-CD2 4.05Å; W144-Y167 HydrophobicContact CB-CE2 3.52Å; W144-Y167 AromaticContact CD1-CD2 3.9Å; W144-Y167 AromaticContact CD1-CE2 3.79Å; W144-Y167 AromaticContact CD2-CD2 3.34Å; W144-Y167 HydrophobicContact CD2-CD2 3.34Å; W144-Y167 AromaticContact CD2-CE2 3.8Å; W144-Y167 HydrophobicContact CD2-CE2 3.8Å; W144-Y167 HydrophobicContact CD2-CG 4.25Å; W144-Y167 AromaticContact CE2-CD2 3.69Å; W144-Y167 AromaticContact CE3-CD2 3.61Å; W144-Y167 HydrophobicContact CE3-CD2 3.61Å; W144-Y167 HydrophobicContact CE3-CE2 4.28Å; W144-Y167 HydrophobicContact CE3-CG 4.06Å; W144-Y167 AromaticContact CG-CD2 3.54Å; W144-Y167 HydrophobicContact CG-CD2 3.54Å; W144-Y167 AromaticContact CG-CE2 3.44Å; W144-Y167 HydrophobicContact CG-CE2 3.44Å; W144-Y167 VanDerWaalsContact CG-CE2 3.44Å; W144-Y167 HydrophobicContact CH2-CD2 4.45Å; W144-Y167 HydrophobicContact CZ2-CD2 4.24Å; W144-Y167 HydrophobicContact CZ3-CD2 4.15Å; W144-Y167 HydrophobicContact CZ3-CG 4.3Å; W144-Y167 AromaticContact NE1-CD2 3.99Å; L148-Y167 HydrophobicContact CD1-CD1 4.13Å; L148-Y167 HydrophobicContact CD1-CE1 3.54Å; L148-Y167 HydrophobicContact CD2-CD1 4.31Å; V163-Y167 PolarHBondContact O-N 3.36Å; Y164-Y167 HydrophobicContact CD1-CD1 4.27Å; Y164-Y167 HydrophobicContact CE1-CD1 4.48Å; Y164-Y167 WeakPolarHBondContact O-CB 3.11Å; Y164-Y167 PolarHBondContact O-N 3.17Å; Y167-K169 PolarHBondContact O-N 3.07Å; Y167-K169 VanDerWaalsContact O-N 3.16Å; Y167-L170 WeakPolarHBondContact O-CA 3.42Å; Y167-L170 WeakPolarHBondContact O-CB 3.49Å; Y167-L170 PolarHBondContact O-N 3.35Å; Y167-S171 WeakPolarHBondContact CE2-OG 3.44Å; Y167-S171 PolarHBondContact O-N 3.05Å; Y167-S171 PolarHBondContact O-OG 3.18Å; Y167-N174 HydrophobicContact CD1-CB 4.27Å; Y167-N174 HydrophobicContact CE1-CB 3.47Å; Y167-N174 VanDerWaalsContact CE1-CB 3.47Å; Y167-N174 PolarHBondContact OH-ND2 3.46Å |
| 168 | L | 68.4 | Low | 70 | Confident | 22 Ų | 22 | 59.1 Ų | 59.1 | 12% | 0.115 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20.9 | 179.7 | -62.8 | 174.6 | 0 | 0 | 0 | 114.1 | Y164 L170 A175 Y178 | Y164-L168 WeakPolarHBondContact O-CG 3.34Å; Y164-L168 PolarHBondContact O-N 2.92Å; L168-L170 VanDerWaalsContact C-N 3.26Å; L168-L170 PolarHBondContact O-N 3.04Å; L168-A175 HydrophobicContact CD2-CB 3.98Å; L168-Y178 HydrophobicContact CD1-CD1 3.49Å; L168-Y178 VanDerWaalsContact CD1-CD1 3.49Å; L168-Y178 HydrophobicContact CD1-CE1 4Å; L168-Y178 HydrophobicContact CD1-CG 3.94Å |
| 169 | K | 73.3 | Confident | 70.3 | Confident | 186 Ų | 186 | 52.1 Ų | 52.1 | 81% | 0.809 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -17.2 | 171.2 | -70.5 | -173.6 | 177.1 | -163.8 | 0 | 113.6 | R166 Y167 | R166-K169 PolarHBondContact O-N 3.34Å; Y167-K169 PolarHBondContact O-N 3.07Å; Y167-K169 VanDerWaalsContact O-N 3.16Å |
| 170 | L | 65.2 | Low | 70.8 | Confident | 75 Ų | 75 | 53 Ų | 53 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | -36 | -179 | -161.9 | 80.6 | 0 | 0 | 0 | 111.7 | V137 H140 Y167 L168 | V137-L170 HydrophobicContact CG1-CD1 3.99Å; V137-L170 HydrophobicContact CG1-CD2 4.47Å; V137-L170 HydrophobicContact CG1-CG 4.43Å; V137-L170 HydrophobicContact CG2-CD1 4.45Å; H140-L170 HydrophobicContact CB-CD2 3.81Å; H140-L170 WeakPolarHBondContact ND1-CD2 3.32Å; Y167-L170 WeakPolarHBondContact O-CA 3.42Å; Y167-L170 WeakPolarHBondContact O-CB 3.49Å; Y167-L170 PolarHBondContact O-N 3.35Å; L168-L170 VanDerWaalsContact C-N 3.26Å; L168-L170 PolarHBondContact O-N 3.04Å |
| 171 | S | 63.4 | Low | 71.2 | Confident | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | trans | -134.6 | 88.7 | 177 | 57.1 | 0 | 0 | 0 | 0 | 109.9 | Y167 E173 N174 | Y167-S171 WeakPolarHBondContact CE2-OG 3.44Å; Y167-S171 PolarHBondContact O-N 3.05Å; Y167-S171 PolarHBondContact O-OG 3.18Å; S171-E173 PolarHBondContact O-N 3.4Å; S171-N174 VanDerWaalsContact CB-ND2 3.29Å; S171-N174 WeakPolarHBondContact CB-ND2 3.45Å; S171-N174 PolarHBondContact O-N 3.31Å; S171-N174 PolarHBondContact OG-ND2 3.36Å | ||
| 172 | P | 66.8 | Low | 71.4 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -56.2 | -38 | 174.4 | -25.9 | 35.7 | 0 | 0 | 0 | 112.2 | N174 A175 F204 | P172-N174 PolarHBondContact O-N 3.14Å; P172-A175 VanDerWaalsContact O-CB 3.31Å; P172-A175 WeakPolarHBondContact O-CB 3.27Å; P172-A175 PolarHBondContact O-N 2.9Å; P172-A175 VanDerWaalsContact O-N 3.07Å; P172-F204 WeakPolarHBondContact O-CE2 3.29Å |
| 173 | E | 65.4 | Low | 71.7 | Confident | 98 Ų | 98 | 47.4 Ų | 47.4 | 46% | 0.458 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -51.7 | -23.5 | 179.7 | -53.1 | 166.4 | 163.1 | 0 | 0 | 115.3 | S171 A175 K207 | S171-E173 PolarHBondContact O-N 3.4Å; E173-A175 VanDerWaalsContact C-N 3.29Å; E173-A175 PolarHBondContact O-N 3.38Å; E173-K207 HydrophobicContact CB-CD 3.94Å; E173-K207 VanDerWaalsContact CB-CE 3.49Å; E173-K207 HydrophobicContact CB-CG 4.21Å; E173-K207 WeakPolarHBondContact OE2-CE 3.42Å; E173-K207 IonicContact OE2-NZ 3.52Å; E173-K207 PolarHBondContact OE2-NZ 3.28Å |
| 174 | N | 70.4 | Confident | 72 | Confident | 17 Ų | 17 | 51.3 Ų | 51.3 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -94.2 | 26 | -180 | -59.1 | -42.5 | 0 | 0 | 0 | 112.3 | Y167 S171 P172 E176 K207 | Y167-N174 HydrophobicContact CD1-CB 4.27Å; Y167-N174 HydrophobicContact CE1-CB 3.47Å; Y167-N174 VanDerWaalsContact CE1-CB 3.47Å; Y167-N174 PolarHBondContact OH-ND2 3.46Å; S171-N174 VanDerWaalsContact CB-ND2 3.29Å; S171-N174 WeakPolarHBondContact CB-ND2 3.45Å; S171-N174 PolarHBondContact O-N 3.31Å; S171-N174 PolarHBondContact OG-ND2 3.36Å; P172-N174 PolarHBondContact O-N 3.14Å; N174-E176 VanDerWaalsContact C-N 3.3Å; N174-K207 WeakPolarHBondContact OD1-CD 3.35Å; N174-K207 PolarHBondContact OD1-NZ 2.96Å |
| 175 | A | 69.3 | Low | 72.1 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 7% | 0.074 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.3 | -26.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L168 P172 E173 Y178 I179 I198 F204 | L168-A175 HydrophobicContact CD2-CB 3.98Å; P172-A175 VanDerWaalsContact O-CB 3.31Å; P172-A175 WeakPolarHBondContact O-CB 3.27Å; P172-A175 PolarHBondContact O-N 2.9Å; P172-A175 VanDerWaalsContact O-N 3.07Å; E173-A175 VanDerWaalsContact C-N 3.29Å; E173-A175 PolarHBondContact O-N 3.38Å; A175-Y178 WeakPolarHBondContact O-CB 3.45Å; A175-Y178 PolarHBondContact O-N 3.27Å; A175-I179 WeakPolarHBondContact O-CD1 3.35Å; A175-I179 WeakPolarHBondContact O-CG1 3.36Å; A175-I179 PolarHBondContact O-N 3.41Å; A175-I198 HydrophobicContact CB-CD1 3.44Å; A175-I198 VanDerWaalsContact CB-CD1 3.44Å; A175-I198 HydrophobicContact CB-CG1 4.01Å; A175-F204 HydrophobicContact CB-CE2 4.24Å; A175-F204 HydrophobicContact CB-CZ 4.44Å |
| 176 | E | 71.1 | Confident | 72 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -49.9 | 177.1 | -64.4 | 168.2 | 149.9 | 0 | 0 | 110.8 | N174 Y178 I179 D180 F204 S206 K207 | N174-E176 VanDerWaalsContact C-N 3.3Å; E176-Y178 PolarHBondContact O-N 3.48Å; E176-I179 WeakPolarHBondContact O-CB 3.47Å; E176-I179 PolarHBondContact O-N 2.89Å; E176-D180 PolarHBondContact O-N 2.84Å; E176-F204 HydrophobicContact CG-CZ 4.44Å; E176-S206 WeakPolarHBondContact OE1-CB 3.35Å; E176-S206 PolarHBondContact OE1-OG 3.03Å; E176-S206 PolarHBondContact OE2-OG 3.27Å; E176-S206 VanDerWaalsContact OE2-OG 3.07Å; E176-K207 PolarHBondContact OE2-N 3.48Å |
| 177 | E | 73.3 | Confident | 72.1 | Confident | 92 Ų | 92 | 53.7 Ų | 53.7 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -53.7 | -32.3 | 173.5 | -61.2 | -176.8 | 152.6 | 0 | 0 | 113.2 | Y181 | E177-Y181 WeakPolarHBondContact O-CB 3.44Å; E177-Y181 PolarHBondContact O-N 2.99Å |
| 178 | Y | 75.3 | Confident | 72.3 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -78.1 | -35.1 | 177.3 | 179.4 | -124.7 | 0 | 0 | 0 | 112.7 | L161 Y164 L168 A175 E176 L182 E190 R194 | L161-Y178 HydrophobicContact CD2-CE2 3.79Å; L161-Y178 WeakPolarHBondContact CD2-OH 3.3Å; Y164-Y178 AromaticContact CD1-CD2 3.54Å; Y164-Y178 HydrophobicContact CD1-CD2 3.54Å; Y164-Y178 HydrophobicContact CD1-CE2 4.47Å; Y164-Y178 AromaticContact CD1-CG 3.98Å; Y164-Y178 HydrophobicContact CD1-CG 3.98Å; Y164-Y178 AromaticContact CD2-CD2 3.89Å; Y164-Y178 HydrophobicContact CD2-CD2 3.89Å; Y164-Y178 HydrophobicContact CD2-CE2 4.26Å; Y164-Y178 HydrophobicContact CE1-CD2 4.34Å; Y164-Y178 AromaticContact CG-CD2 3.28Å; Y164-Y178 HydrophobicContact CG-CD2 3.28Å; Y164-Y178 AromaticContact CG-CE2 3.81Å; Y164-Y178 HydrophobicContact CG-CE2 3.81Å; Y164-Y178 HydrophobicContact CG-CG 4.14Å; L168-Y178 HydrophobicContact CD1-CD1 3.49Å; L168-Y178 VanDerWaalsContact CD1-CD1 3.49Å; L168-Y178 HydrophobicContact CD1-CE1 4Å; L168-Y178 HydrophobicContact CD1-CG 3.94Å; A175-Y178 WeakPolarHBondContact O-CB 3.45Å; A175-Y178 PolarHBondContact O-N 3.27Å; E176-Y178 PolarHBondContact O-N 3.48Å; Y178-L182 HydrophobicContact CD1-CD1 3.81Å; Y178-L182 HydrophobicContact CD2-CD1 4.35Å; Y178-L182 HydrophobicContact CD2-CG 4.32Å; Y178-L182 HydrophobicContact CE1-CD1 3.49Å; Y178-L182 VanDerWaalsContact CE1-CD1 3.49Å; Y178-L182 HydrophobicContact CE1-CG 4.35Å; Y178-L182 HydrophobicContact CE2-CD1 4.08Å; Y178-L182 HydrophobicContact CE2-CD2 4.41Å; Y178-L182 HydrophobicContact CE2-CG 4.05Å; Y178-L182 HydrophobicContact CG-CD1 4.27Å; Y178-L182 WeakPolarHBondContact O-CB 3.5Å; Y178-L182 VanDerWaalsContact O-CG 3.27Å; Y178-L182 WeakPolarHBondContact O-CG 3.48Å; Y178-L182 PolarHBondContact O-N 3.33Å; Y178-E190 PolarHBondContact OH-OE2 3.27Å; Y178-R194 HydrophobicContact CD1-CG 4.32Å; Y178-R194 HydrophobicContact CE1-CG 3.92Å |
| 179 | I | 75.6 | Confident | 72.5 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 175.8 | -71.4 | 156.3 | 0 | 0 | 0 | 110.1 | A175 E176 L182 R183 R194 L195 I198 | A175-I179 WeakPolarHBondContact O-CD1 3.35Å; A175-I179 WeakPolarHBondContact O-CG1 3.36Å; A175-I179 PolarHBondContact O-N 3.41Å; E176-I179 WeakPolarHBondContact O-CB 3.47Å; E176-I179 PolarHBondContact O-N 2.89Å; I179-L182 CarbonylContact O-C 3.55Å; I179-L182 WeakPolarHBondContact O-CB 3.36Å; I179-L182 PolarHBondContact O-N 3.44Å; I179-L182 VanDerWaalsContact O-N 3.14Å; I179-R183 WeakPolarHBondContact O-CG 3.3Å; I179-R183 PolarHBondContact O-N 2.95Å; I179-R194 HydrophobicContact CG1-CB 4.4Å; I179-L195 HydrophobicContact CD1-CD2 3.49Å; I179-L195 VanDerWaalsContact CD1-CD2 3.49Å; I179-L195 HydrophobicContact CD1-CG 3.63Å; I179-L195 HydrophobicContact CG1-CD2 4.37Å; I179-L195 HydrophobicContact CG1-CG 4.05Å; I179-L195 HydrophobicContact CG2-CD1 3.87Å; I179-L195 HydrophobicContact CG2-CD2 4.17Å; I179-L195 HydrophobicContact CG2-CG 3.91Å; I179-I198 HydrophobicContact CD1-CD1 3.41Å; I179-I198 VanDerWaalsContact CD1-CD1 3.41Å; I179-I198 HydrophobicContact CG1-CD1 4.48Å |
| 180 | D | 78.9 | Confident | 72.5 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 178.2 | -68.1 | -31.9 | 0 | 0 | 0 | 112.2 | E176 R183 S184 | E176-D180 PolarHBondContact O-N 2.84Å; D180-R183 PolarHBondContact O-N 2.97Å; D180-R183 WeakPolarHBondContact OD1-CD 3.33Å; D180-R183 IonicContact OD1-CZ 3.76Å; D180-R183 IonicContact OD1-NE 2.77Å; D180-R183 IonicContact OD1-NH1 2.73Å; D180-R183 PolarHBondContact OD1-NH1 3.29Å; D180-S184 PolarHBondContact O-N 3.27Å |
| 181 | Y | 77.1 | Confident | 73.1 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 167 | -177.9 | -105.3 | 0 | 0 | 0 | 111.7 | H152 A160 Y164 E177 R183 S184 V185 | H152-Y181 AromaticContact CD2-CD2 3.41Å; H152-Y181 VanDerWaalsContact CD2-CD2 3.41Å; H152-Y181 WeakPolarHBondContact CD2-CD2 3.45Å; H152-Y181 AromaticContact CD2-CE2 3.59Å; H152-Y181 AromaticContact NE2-CD2 3.27Å; H152-Y181 VanDerWaalsContact NE2-CD2 3.27Å; H152-Y181 WeakPolarHBondContact NE2-CD2 3.49Å; H152-Y181 AromaticContact NE2-CE2 3.96Å; H152-Y181 AromaticContact NE2-CG 3.87Å; A160-Y181 HydrophobicContact CB-CE1 3.46Å; A160-Y181 VanDerWaalsContact CB-CE1 3.46Å; A160-Y181 WeakPolarHBondContact CB-OH 3.26Å; Y164-Y181 HydrophobicContact CD2-CD1 4.21Å; Y164-Y181 AromaticContact CE2-CD1 3.99Å; Y164-Y181 HydrophobicContact CE2-CD1 3.99Å; Y164-Y181 HydrophobicContact CE2-CE1 4.46Å; Y164-Y181 HydrophobicContact CE2-CG 4.08Å; E177-Y181 WeakPolarHBondContact O-CB 3.44Å; E177-Y181 PolarHBondContact O-N 2.99Å; Y181-R183 VanDerWaalsContact C-N 3.35Å; Y181-R183 PolarHBondContact O-N 3.03Å; Y181-S184 PolarHBondContact O-N 2.95Å; Y181-S184 PolarHBondContact O-OG 3.21Å; Y181-V185 HydrophobicContact CD1-CG2 4.31Å; Y181-V185 HydrophobicContact CD2-CG2 4.35Å; Y181-V185 HydrophobicContact CE1-CG2 3.81Å; Y181-V185 HydrophobicContact CE2-CG2 3.87Å; Y181-V185 WeakPolarHBondContact O-CG2 3.47Å; Y181-V185 PolarHBondContact O-N 3.31Å |
| 182 | L | 74.5 | Confident | 73.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -37.8 | 177 | -77 | 168.2 | 0 | 0 | 0 | 113.4 | L161 Y178 I179 V185 G186 R187 E190 A191 | L161-L182 HydrophobicContact CD2-CD2 3.48Å; L161-L182 VanDerWaalsContact CD2-CD2 3.48Å; L161-L182 HydrophobicContact CD2-CG 4.43Å; Y178-L182 HydrophobicContact CD1-CD1 3.81Å; Y178-L182 HydrophobicContact CD2-CD1 4.35Å; Y178-L182 HydrophobicContact CD2-CG 4.32Å; Y178-L182 HydrophobicContact CE1-CD1 3.49Å; Y178-L182 VanDerWaalsContact CE1-CD1 3.49Å; Y178-L182 HydrophobicContact CE1-CG 4.35Å; Y178-L182 HydrophobicContact CE2-CD1 4.08Å; Y178-L182 HydrophobicContact CE2-CD2 4.41Å; Y178-L182 HydrophobicContact CE2-CG 4.05Å; Y178-L182 HydrophobicContact CG-CD1 4.27Å; Y178-L182 WeakPolarHBondContact O-CB 3.5Å; Y178-L182 VanDerWaalsContact O-CG 3.27Å; Y178-L182 WeakPolarHBondContact O-CG 3.48Å; Y178-L182 PolarHBondContact O-N 3.33Å; I179-L182 CarbonylContact O-C 3.55Å; I179-L182 WeakPolarHBondContact O-CB 3.36Å; I179-L182 PolarHBondContact O-N 3.44Å; I179-L182 VanDerWaalsContact O-N 3.14Å; L182-V185 PolarHBondContact O-N 3Å; L182-G186 PolarHBondContact O-N 3.01Å; L182-G186 VanDerWaalsContact O-N 3.13Å; L182-R187 HydrophobicContact CD2-CB 3.93Å; L182-R187 PolarHBondContact O-N 3.29Å; L182-E190 HydrophobicContact CD1-CB 4.08Å; L182-E190 HydrophobicContact CD2-CB 3.92Å; L182-A191 HydrophobicContact CB-CB 3.87Å; L182-A191 HydrophobicContact CD1-CB 4.32Å |
| 183 | R | 78.8 | Confident | 74.2 | Confident | 70 Ų | 70 | 44 Ų | 44 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 171.7 | -75 | 168.9 | 169.7 | 162.8 | -6.1 | 110.5 | I179 D180 Y181 V185 G186 E218 L222 | I179-R183 WeakPolarHBondContact O-CG 3.3Å; I179-R183 PolarHBondContact O-N 2.95Å; D180-R183 PolarHBondContact O-N 2.97Å; D180-R183 WeakPolarHBondContact OD1-CD 3.33Å; D180-R183 IonicContact OD1-CZ 3.76Å; D180-R183 IonicContact OD1-NE 2.77Å; D180-R183 IonicContact OD1-NH1 2.73Å; D180-R183 PolarHBondContact OD1-NH1 3.29Å; Y181-R183 VanDerWaalsContact C-N 3.35Å; Y181-R183 PolarHBondContact O-N 3.03Å; R183-V185 VanDerWaalsContact C-N 3.25Å; R183-V185 PolarHBondContact O-N 3.23Å; R183-G186 PolarHBondContact O-N 2.88Å; R183-E218 IonicContact CZ-OE2 2.65Å; R183-E218 VanDerWaalsContact CZ-OE2 3.23Å; R183-E218 IonicContact NH1-OE2 3.22Å; R183-E218 PolarHBondContact NH1-OE2 3.26Å; R183-E218 IonicContact NH2-OE2 2.69Å; R183-E218 PolarHBondContact NH2-OE2 3.08Å; R183-L222 HydrophobicContact CG-CD1 4.01Å |
| 184 | S | 79.4 | Confident | 74.6 | Confident | 92 Ų | 92 | 44 Ų | 44 | 64% | 0.643 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61.4 | -29.7 | 178 | 74.7 | 0 | 0 | 0 | 0 | 114.2 | D180 Y181 G186 | D180-S184 PolarHBondContact O-N 3.27Å; Y181-S184 PolarHBondContact O-N 2.95Å; Y181-S184 PolarHBondContact O-OG 3.21Å; S184-G186 VanDerWaalsContact C-N 3.33Å |
| 185 | V | 73.6 | Confident | 74.8 | Confident | 45 Ų | 45 | 43.2 Ų | 43.2 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.1 | 177.1 | 174.4 | 0 | 0 | 0 | 0 | 112 | P157 Y181 L182 R183 R187 | P157-V185 HydrophobicContact CB-CG1 3.91Å; P157-V185 HydrophobicContact CG-CG1 3.95Å; Y181-V185 HydrophobicContact CD1-CG2 4.31Å; Y181-V185 HydrophobicContact CD2-CG2 4.35Å; Y181-V185 HydrophobicContact CE1-CG2 3.81Å; Y181-V185 HydrophobicContact CE2-CG2 3.87Å; Y181-V185 WeakPolarHBondContact O-CG2 3.47Å; Y181-V185 PolarHBondContact O-N 3.31Å; L182-V185 PolarHBondContact O-N 3Å; R183-V185 VanDerWaalsContact C-N 3.25Å; R183-V185 PolarHBondContact O-N 3.23Å; V185-R187 HydrophobicContact CG1-CG 3.91Å; V185-R187 PolarHBondContact O-N 2.77Å |
| 186 | G | 69.6 | Low | 75 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 49% | 0.485 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 14 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L182 R183 S184 L188 | L182-G186 PolarHBondContact O-N 3.01Å; L182-G186 VanDerWaalsContact O-N 3.13Å; R183-G186 PolarHBondContact O-N 2.88Å; S184-G186 VanDerWaalsContact C-N 3.33Å; G186-L188 VanDerWaalsContact C-N 3.26Å; G186-L188 PolarHBondContact O-N 3.02Å; G186-L188 VanDerWaalsContact O-N 3.14Å |
| 187 | R | 74.9 | Confident | 75.2 | Confident | 155 Ų | 155 | 44.9 Ų | 44.9 | 59% | 0.585 | 24% | 0.239 | S | C | * | . | trans | -89.4 | 62.9 | 178.1 | -73.5 | -74 | -170.5 | -129.2 | 0.3 | 110.2 | L182 V185 D189 E190 A191 | L182-R187 HydrophobicContact CD2-CB 3.93Å; L182-R187 PolarHBondContact O-N 3.29Å; V185-R187 HydrophobicContact CG1-CG 3.91Å; V185-R187 PolarHBondContact O-N 2.77Å; R187-D189 VanDerWaalsContact C-N 3.29Å; R187-D189 PolarHBondContact O-N 2.79Å; R187-E190 PolarHBondContact O-N 2.69Å; R187-A191 PolarHBondContact O-N 2.88Å | ||
| 188 | L | 74.3 | Confident | 75.3 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.4 | -31.5 | -170.9 | -59.7 | -177 | 0 | 0 | 0 | 113.5 | G186 A191 A192 L222 N226 K229 | G186-L188 VanDerWaalsContact C-N 3.26Å; G186-L188 PolarHBondContact O-N 3.02Å; G186-L188 VanDerWaalsContact O-N 3.14Å; L188-A191 CarbonylContact O-C 3.59Å; L188-A191 WeakPolarHBondContact O-CA 3.25Å; L188-A191 WeakPolarHBondContact O-CB 3.42Å; L188-A191 PolarHBondContact O-N 3.21Å; L188-A191 VanDerWaalsContact O-N 3.15Å; L188-A192 WeakPolarHBondContact O-CB 3.38Å; L188-A192 PolarHBondContact O-N 3.44Å; L188-L222 HydrophobicContact CB-CD2 4.45Å; L188-L222 HydrophobicContact CD2-CD1 4.31Å; L188-N226 HydrophobicContact CD1-CB 3.73Å; L188-N226 WeakPolarHBondContact CD1-OD1 3.31Å; L188-K229 HydrophobicContact CD1-CD 3.87Å |
| 189 | D | 72.6 | Confident | 75.1 | Confident | 54 Ų | 54 | 41.4 Ų | 41.4 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.3 | -43.9 | -179.8 | -48.1 | -1.3 | 0 | 0 | 0 | 111.7 | R187 A191 A192 V193 K229 | R187-D189 VanDerWaalsContact C-N 3.29Å; R187-D189 PolarHBondContact O-N 2.79Å; D189-A191 VanDerWaalsContact C-N 3.26Å; D189-A191 PolarHBondContact O-N 3.24Å; D189-A192 PolarHBondContact O-N 3.45Å; D189-V193 WeakPolarHBondContact O-CB 3.27Å; D189-V193 VanDerWaalsContact O-CG2 3.29Å; D189-V193 WeakPolarHBondContact O-CG2 3.46Å; D189-V193 PolarHBondContact O-N 3.33Å; D189-K229 VanDerWaalsContact CG-O 3.25Å |
| 190 | E | 73.3 | Confident | 74.9 | Confident | 59 Ų | 59 | 44.9 Ų | 44.9 | 28% | 0.276 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.4 | -31.7 | 173.9 | -74 | -156.9 | -160.1 | 0 | 0 | 111.3 | R165 Y178 L182 R187 R194 | R165-E190 IonicContact CZ-OE2 2.61Å; R165-E190 IonicContact NE-OE2 2.68Å; R165-E190 IonicContact NH2-OE1 3.55Å; R165-E190 PolarHBondContact NH2-OE1 3.37Å; R165-E190 IonicContact NH2-OE2 2.96Å; R165-E190 PolarHBondContact NH2-OE2 2.82Å; Y178-E190 PolarHBondContact OH-OE2 3.27Å; L182-E190 HydrophobicContact CD1-CB 4.08Å; L182-E190 HydrophobicContact CD2-CB 3.92Å; R187-E190 PolarHBondContact O-N 2.69Å; E190-R194 VanDerWaalsContact O-CB 3.3Å; E190-R194 WeakPolarHBondContact O-CB 3.41Å; E190-R194 WeakPolarHBondContact O-CG 3.44Å; E190-R194 PolarHBondContact O-N 3.46Å; E190-R194 VanDerWaalsContact O-N 3.14Å |
| 191 | A | 76.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.4 | -48.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L182 R187 L188 D189 R194 L195 L222 | L182-A191 HydrophobicContact CB-CB 3.87Å; L182-A191 HydrophobicContact CD1-CB 4.32Å; R187-A191 PolarHBondContact O-N 2.88Å; L188-A191 CarbonylContact O-C 3.59Å; L188-A191 WeakPolarHBondContact O-CA 3.25Å; L188-A191 WeakPolarHBondContact O-CB 3.42Å; L188-A191 PolarHBondContact O-N 3.21Å; L188-A191 VanDerWaalsContact O-N 3.15Å; D189-A191 VanDerWaalsContact C-N 3.26Å; D189-A191 PolarHBondContact O-N 3.24Å; A191-R194 PolarHBondContact O-N 2.92Å; A191-L195 WeakPolarHBondContact O-CB 3.47Å; A191-L195 WeakPolarHBondContact O-CG 3.25Å; A191-L195 PolarHBondContact O-N 2.86Å; A191-L222 HydrophobicContact CB-CD1 4.25Å |
| 192 | A | 73.9 | Confident | 73.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L188 D189 R194 A196 L219 L222 V230 L233 | L188-A192 WeakPolarHBondContact O-CB 3.38Å; L188-A192 PolarHBondContact O-N 3.44Å; D189-A192 PolarHBondContact O-N 3.45Å; A192-R194 VanDerWaalsContact C-N 3.3Å; A192-R194 PolarHBondContact O-N 3.22Å; A192-A196 WeakPolarHBondContact O-CB 3.48Å; A192-A196 PolarHBondContact O-N 3.29Å; A192-L219 HydrophobicContact CB-CD1 4.45Å; A192-L222 HydrophobicContact CB-CD2 3.82Å; A192-V230 HydrophobicContact CB-CG1 3.97Å; A192-V230 HydrophobicContact CB-CG2 4.41Å; A192-L233 HydrophobicContact CB-CD1 3.63Å |
| 193 | V | 79.3 | Confident | 73.3 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 39% | 0.394 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 176 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | D189 A197 L233 | D189-V193 WeakPolarHBondContact O-CB 3.27Å; D189-V193 VanDerWaalsContact O-CG2 3.29Å; D189-V193 WeakPolarHBondContact O-CG2 3.46Å; D189-V193 PolarHBondContact O-N 3.33Å; V193-A197 WeakPolarHBondContact O-CB 3.14Å; V193-A197 PolarHBondContact O-N 3.11Å; V193-A197 VanDerWaalsContact O-N 3.09Å; V193-L233 HydrophobicContact CG2-CD1 4Å; V193-L233 HydrophobicContact CG2-CD2 4.06Å; V193-L233 HydrophobicContact CG2-CG 3.95Å |
| 194 | R | 74.1 | Confident | 72.6 | Confident | 99 Ų | 99 | 57.5 Ų | 57.5 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -74.6 | -46.5 | 177.7 | -72.9 | -77.2 | 169.7 | -163.5 | -6.2 | 112.3 | Y178 I179 E190 A191 A192 A197 I198 | Y178-R194 HydrophobicContact CD1-CG 4.32Å; Y178-R194 HydrophobicContact CE1-CG 3.92Å; I179-R194 HydrophobicContact CG1-CB 4.4Å; E190-R194 VanDerWaalsContact O-CB 3.3Å; E190-R194 WeakPolarHBondContact O-CB 3.41Å; E190-R194 WeakPolarHBondContact O-CG 3.44Å; E190-R194 PolarHBondContact O-N 3.46Å; E190-R194 VanDerWaalsContact O-N 3.14Å; A191-R194 PolarHBondContact O-N 2.92Å; A192-R194 VanDerWaalsContact C-N 3.3Å; A192-R194 PolarHBondContact O-N 3.22Å; R194-A197 PolarHBondContact O-N 3.27Å; R194-I198 WeakPolarHBondContact O-CD1 3.47Å; R194-I198 VanDerWaalsContact O-CG1 3.25Å; R194-I198 WeakPolarHBondContact O-CG1 3.41Å; R194-I198 PolarHBondContact O-N 2.92Å |
| 195 | L | 74.8 | Confident | 71.8 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -53.7 | -54 | 170.1 | -81.8 | 165 | 0 | 0 | 0 | 109.8 | I179 A191 A197 I198 V199 L219 L222 | I179-L195 HydrophobicContact CD1-CD2 3.49Å; I179-L195 VanDerWaalsContact CD1-CD2 3.49Å; I179-L195 HydrophobicContact CD1-CG 3.63Å; I179-L195 HydrophobicContact CG1-CD2 4.37Å; I179-L195 HydrophobicContact CG1-CG 4.05Å; I179-L195 HydrophobicContact CG2-CD1 3.87Å; I179-L195 HydrophobicContact CG2-CD2 4.17Å; I179-L195 HydrophobicContact CG2-CG 3.91Å; A191-L195 WeakPolarHBondContact O-CB 3.47Å; A191-L195 WeakPolarHBondContact O-CG 3.25Å; A191-L195 PolarHBondContact O-N 2.86Å; L195-A197 PolarHBondContact O-N 3.46Å; L195-A197 VanDerWaalsContact O-N 3.17Å; L195-I198 PolarHBondContact O-N 3.29Å; L195-I198 VanDerWaalsContact O-N 3.13Å; L195-V199 WeakPolarHBondContact O-CB 3.38Å; L195-V199 WeakPolarHBondContact O-CG2 3.35Å; L195-V199 PolarHBondContact O-N 3.25Å; L195-L219 HydrophobicContact CB-CB 4.34Å; L195-L219 HydrophobicContact CB-CD1 3.78Å; L195-L219 HydrophobicContact CB-CG 4.48Å; L195-L219 HydrophobicContact CD1-CD1 4.44Å; L195-L222 HydrophobicContact CD1-CD1 4.17Å |
| 196 | A | 73.9 | Confident | 71.3 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.4 | -30.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A192 N200 L219 | A192-A196 WeakPolarHBondContact O-CB 3.48Å; A192-A196 PolarHBondContact O-N 3.29Å; A196-N200 WeakPolarHBondContact O-CB 3.45Å; A196-N200 PolarHBondContact O-N 3.47Å; A196-N200 PolarHBondContact O-ND2 3.22Å; A196-L219 HydrophobicContact CB-CD2 4.14Å |
| 197 | A | 75.9 | Confident | 71 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.3 | -52.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V193 R194 L195 V199 N200 D201 | V193-A197 WeakPolarHBondContact O-CB 3.14Å; V193-A197 PolarHBondContact O-N 3.11Å; V193-A197 VanDerWaalsContact O-N 3.09Å; R194-A197 PolarHBondContact O-N 3.27Å; L195-A197 PolarHBondContact O-N 3.46Å; L195-A197 VanDerWaalsContact O-N 3.17Å; A197-V199 VanDerWaalsContact C-N 3.25Å; A197-V199 PolarHBondContact O-N 3.26Å; A197-N200 PolarHBondContact O-N 3.38Å; A197-D201 PolarHBondContact O-N 3.11Å; A197-D201 VanDerWaalsContact O-N 3.1Å |
| 198 | I | 73.8 | Confident | 70.3 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.5 | -42.2 | 178 | -65.9 | 154.6 | 0 | 0 | 0 | 111.3 | A175 I179 R194 L195 N200 D201 F204 L215 | A175-I198 HydrophobicContact CB-CD1 3.44Å; A175-I198 VanDerWaalsContact CB-CD1 3.44Å; A175-I198 HydrophobicContact CB-CG1 4.01Å; I179-I198 HydrophobicContact CD1-CD1 3.41Å; I179-I198 VanDerWaalsContact CD1-CD1 3.41Å; I179-I198 HydrophobicContact CG1-CD1 4.48Å; R194-I198 WeakPolarHBondContact O-CD1 3.47Å; R194-I198 VanDerWaalsContact O-CG1 3.25Å; R194-I198 WeakPolarHBondContact O-CG1 3.41Å; R194-I198 PolarHBondContact O-N 2.92Å; L195-I198 PolarHBondContact O-N 3.29Å; L195-I198 VanDerWaalsContact O-N 3.13Å; I198-N200 VanDerWaalsContact C-N 3.25Å; I198-N200 PolarHBondContact O-N 2.94Å; I198-D201 PolarHBondContact O-N 3.36Å; I198-D201 VanDerWaalsContact O-N 3.15Å; I198-F204 HydrophobicContact CG2-CB 4.28Å; I198-F204 HydrophobicContact CG2-CD1 3.39Å; I198-F204 HydrophobicContact CG2-CD2 3.98Å; I198-F204 HydrophobicContact CG2-CE1 3.57Å; I198-F204 HydrophobicContact CG2-CE2 4.14Å; I198-F204 HydrophobicContact CG2-CG 3.61Å; I198-F204 HydrophobicContact CG2-CZ 3.95Å; I198-L215 HydrophobicContact CG2-CD1 4.32Å |
| 199 | V | 72.1 | Confident | 69.9 | Low | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17.5 | -178.4 | 168 | 0 | 0 | 0 | 0 | 112.9 | L195 A197 L215 W216 L219 | L195-V199 WeakPolarHBondContact O-CB 3.38Å; L195-V199 WeakPolarHBondContact O-CG2 3.35Å; L195-V199 PolarHBondContact O-N 3.25Å; A197-V199 VanDerWaalsContact C-N 3.25Å; A197-V199 PolarHBondContact O-N 3.26Å; V199-L215 HydrophobicContact CG2-CB 3.84Å; V199-W216 HydrophobicContact CG1-CD2 3.51Å; V199-W216 HydrophobicContact CG1-CE3 4.31Å; V199-W216 HydrophobicContact CG1-CG 3.63Å; V199-W216 HydrophobicContact CG1-CH2 4.44Å; V199-W216 HydrophobicContact CG1-CZ2 3.67Å; V199-L219 HydrophobicContact CB-CD2 4.41Å; V199-L219 HydrophobicContact CG1-CD2 4.15Å; V199-L219 HydrophobicContact CG2-CD2 4.44Å |
| 200 | N | 71.7 | Confident | 69.9 | Low | 78 Ų | 78 | 60.2 Ų | 60.2 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -18.2 | 169.6 | -82.6 | -61.2 | 0 | 0 | 0 | 113.6 | A196 A197 I198 E202 R245 | A196-N200 WeakPolarHBondContact O-CB 3.45Å; A196-N200 PolarHBondContact O-N 3.47Å; A196-N200 PolarHBondContact O-ND2 3.22Å; A197-N200 PolarHBondContact O-N 3.38Å; I198-N200 VanDerWaalsContact C-N 3.25Å; I198-N200 PolarHBondContact O-N 2.94Å; N200-E202 PolarHBondContact O-N 3.28Å; N200-R245 PolarHBondContact OD1-NH1 2.9Å; N200-R245 PolarHBondContact OD1-NH2 3.4Å |
| 201 | D | 73.4 | Confident | 69.9 | Low | 97 Ų | 97 | 60 Ų | 60 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | trans | -84.7 | 92.3 | 177.2 | -75.8 | -28.2 | 0 | 0 | 0 | 110.3 | A197 I198 S203 F204 | A197-D201 PolarHBondContact O-N 3.11Å; A197-D201 VanDerWaalsContact O-N 3.1Å; I198-D201 PolarHBondContact O-N 3.36Å; I198-D201 VanDerWaalsContact O-N 3.15Å; D201-S203 PolarHBondContact O-N 3.44Å; D201-F204 HydrophobicContact CB-CB 4.49Å; D201-F204 WeakPolarHBondContact O-CB 3.2Å; D201-F204 PolarHBondContact O-N 2.91Å | ||
| 202 | E | 62.1 | Low | 69.6 | Low | 169 Ų | 169 | 63 Ų | 63 | 79% | 0.79 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13.4 | 179.8 | -64.4 | 179.8 | 172.8 | 0 | 0 | 114.7 | N200 | N200-E202 PolarHBondContact O-N 3.28Š|
| 203 | S | 60.9 | Low | 69.4 | Low | 110 Ų | 110 | 64.7 Ų | 64.7 | 77% | 0.769 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -2.3 | 175.9 | 62 | 0 | 0 | 0 | 0 | 114.3 | D201 | D201-S203 PolarHBondContact O-N 3.44Š|
| 204 | F | 64.8 | Low | 69.2 | Low | 44 Ų | 44 | 66.1 Ų | 66.1 | 19% | 0.193 | 36% | 0.363 | C | S | . | . | trans | -75.6 | 126.4 | 179.5 | -176.2 | -96.2 | 0 | 0 | 0 | 111.9 | P172 A175 E176 I198 D201 L215 | P172-F204 WeakPolarHBondContact O-CE2 3.29Å; A175-F204 HydrophobicContact CB-CE2 4.24Å; A175-F204 HydrophobicContact CB-CZ 4.44Å; E176-F204 HydrophobicContact CG-CZ 4.44Å; I198-F204 HydrophobicContact CG2-CB 4.28Å; I198-F204 HydrophobicContact CG2-CD1 3.39Å; I198-F204 HydrophobicContact CG2-CD2 3.98Å; I198-F204 HydrophobicContact CG2-CE1 3.57Å; I198-F204 HydrophobicContact CG2-CE2 4.14Å; I198-F204 HydrophobicContact CG2-CG 3.61Å; I198-F204 HydrophobicContact CG2-CZ 3.95Å; D201-F204 HydrophobicContact CB-CB 4.49Å; D201-F204 WeakPolarHBondContact O-CB 3.2Å; D201-F204 PolarHBondContact O-N 2.91Å; F204-L215 HydrophobicContact CD1-CD1 4.16Å; F204-L215 HydrophobicContact CE1-CD1 4.07Å | ||
| 205 | V | 62.2 | Low | 69.3 | Low | 115 Ų | 115 | 61.8 Ų | 61.8 | 70% | 0.697 | 35% | 0.347 | S | S | * | . | trans | -112.8 | 117.9 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 206 | S | 63.5 | Low | 69.4 | Low | 13 Ų | 13 | 62 Ų | 62 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | trans | -59.5 | 141.1 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | E176 E208 G209 K210 | E176-S206 WeakPolarHBondContact OE1-CB 3.35Å; E176-S206 PolarHBondContact OE1-OG 3.03Å; E176-S206 PolarHBondContact OE2-OG 3.27Å; E176-S206 VanDerWaalsContact OE2-OG 3.07Å; S206-E208 PolarHBondContact OG-N 2.95Å; S206-E208 VanDerWaalsContact OG-N 3.15Å; S206-G209 PolarHBondContact OG-N 2.8Å; S206-K210 WeakPolarHBondContact CB-O 3.39Å; S206-K210 PolarHBondContact OG-N 3.01Å | ||
| 207 | K | 63.3 | Low | 69.5 | Low | 111 Ų | 111 | 63.9 Ų | 63.9 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -81.6 | -26.5 | 171.2 | -89.1 | 177.5 | 172.8 | 164.5 | 0 | 113 | E173 N174 E176 G209 | E173-K207 HydrophobicContact CB-CD 3.94Å; E173-K207 VanDerWaalsContact CB-CE 3.49Å; E173-K207 HydrophobicContact CB-CG 4.21Å; E173-K207 WeakPolarHBondContact OE2-CE 3.42Å; E173-K207 IonicContact OE2-NZ 3.52Å; E173-K207 PolarHBondContact OE2-NZ 3.28Å; N174-K207 WeakPolarHBondContact OD1-CD 3.35Å; N174-K207 PolarHBondContact OD1-NZ 2.96Å; E176-K207 PolarHBondContact OE2-N 3.48Å; K207-G209 PolarHBondContact O-N 3.34Å |
| 208 | E | 59.6 | Low | 69.5 | Low | 115 Ų | 115 | 63.6 Ų | 63.6 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -79 | -1.6 | 172.7 | -59 | -170.6 | 145.3 | 0 | 0 | 112.1 | S206 K210 | S206-E208 PolarHBondContact OG-N 2.95Å; S206-E208 VanDerWaalsContact OG-N 3.15Å; E208-K210 HydrophobicContact CB-CD 4.32Å; E208-K210 HydrophobicContact CB-CG 4.14Å; E208-K210 PolarHBondContact O-N 3.06Å; E208-K210 WeakPolarHBondContact OE2-CE 3.5Å; E208-K210 IonicContact OE2-NZ 2.72Å; E208-K210 PolarHBondContact OE2-NZ 3.37Å |
| 209 | G | 65 | Low | 69.6 | Low | 66 Ų | 66 | 62.7 Ų | 62.7 | 68% | 0.68 | 34% | 0.341 | S | S | * | . | trans | 72.9 | 14 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S206 K207 | S206-G209 PolarHBondContact OG-N 2.8Å; K207-G209 PolarHBondContact O-N 3.34Å | ||
| 210 | K | 72.7 | Confident | 69.7 | Low | 49 Ų | 49 | 62.8 Ų | 62.8 | 21% | 0.213 | 34% | 0.342 | C | S | . | . | trans | -63.2 | 135.3 | 178.4 | -70.7 | 174.3 | 174.1 | 172 | 0 | 110.6 | S206 E208 Q214 L215 E218 | S206-K210 WeakPolarHBondContact CB-O 3.39Å; S206-K210 PolarHBondContact OG-N 3.01Å; E208-K210 HydrophobicContact CB-CD 4.32Å; E208-K210 HydrophobicContact CB-CG 4.14Å; E208-K210 PolarHBondContact O-N 3.06Å; E208-K210 WeakPolarHBondContact OE2-CE 3.5Å; E208-K210 IonicContact OE2-NZ 2.72Å; E208-K210 PolarHBondContact OE2-NZ 3.37Å; K210-Q214 HydrophobicContact CB-CB 4.46Å; K210-L215 HydrophobicContact CB-CD2 4.15Å; K210-L215 HydrophobicContact CB-CG 4.25Å; K210-L215 HydrophobicContact CD-CD2 4.03Å; K210-E218 WeakPolarHBondContact CD-OE1 3.48Å; K210-E218 WeakPolarHBondContact CE-OE1 3.44Å; K210-E218 IonicContact NZ-OE1 3.27Å; K210-E218 PolarHBondContact NZ-OE1 3Å; K210-E218 IonicContact NZ-OE2 3.94Å | ||
| 211 | S | 74.3 | Confident | 70 | Confident | 54 Ų | 54 | 61.6 Ų | 61.6 | 38% | 0.378 | 34% | 0.335 | S | S | . | . | trans | -73.8 | 154.7 | 174.4 | 74 | 0 | 0 | 0 | 0 | 110.9 | Y213 Q214 L215 | S211-Y213 PolarHBondContact O-N 3.33Å; S211-Q214 WeakPolarHBondContact O-CA 3.49Å; S211-Q214 WeakPolarHBondContact O-CB 3.42Å; S211-Q214 PolarHBondContact O-N 2.82Å; S211-Q214 WeakPolarHBondContact OG-CG 3.16Å; S211-Q214 PolarHBondContact OG-N 2.87Å; S211-L215 PolarHBondContact O-N 3.39Å | ||
| 212 | N | 69.8 | Low | 70 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 34% | 0.337 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56 | -35.1 | 175.1 | -166.5 | -4.2 | 0 | 0 | 0 | 111.3 | L215 W216 | N212-L215 PolarHBondContact O-N 3.18Å; N212-W216 PolarHBondContact O-N 2.92Å |
| 213 | Y | 70.1 | Confident | 70.5 | Confident | 36 Ų | 36 | 49.5 Ų | 49.5 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 172.6 | 177.6 | -94.9 | 0 | 0 | 0 | 113.3 | S211 W216 H217 F246 Q249 | S211-Y213 PolarHBondContact O-N 3.33Å; Y213-W216 WeakPolarHBondContact O-CB 3.3Å; Y213-W216 PolarHBondContact O-N 3.33Å; Y213-H217 WeakPolarHBondContact O-CB 3.3Å; Y213-H217 PolarHBondContact O-N 3.49Å; Y213-F246 HydrophobicContact CD2-CB 4.24Å; Y213-F246 HydrophobicContact CD2-CD1 4.02Å; Y213-F246 AromaticContact CD2-CG 3.98Å; Y213-F246 HydrophobicContact CD2-CG 3.98Å; Y213-Q249 HydrophobicContact CE2-CB 4.24Å; Y213-Q249 WeakPolarHBondContact OH-CB 3.33Å; Y213-Q249 PolarHBondContact OH-OE1 3.42Å |
| 214 | Q | 75.8 | Confident | 71 | Confident | 96 Ų | 96 | 44.4 Ų | 44.4 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 175.1 | -74.7 | 166.7 | -27.1 | 0 | 0 | 111.8 | K210 S211 W216 H217 E218 | K210-Q214 HydrophobicContact CB-CB 4.46Å; S211-Q214 WeakPolarHBondContact O-CA 3.49Å; S211-Q214 WeakPolarHBondContact O-CB 3.42Å; S211-Q214 PolarHBondContact O-N 2.82Å; S211-Q214 WeakPolarHBondContact OG-CG 3.16Å; S211-Q214 PolarHBondContact OG-N 2.87Å; Q214-W216 VanDerWaalsContact C-N 3.34Å; Q214-H217 PolarHBondContact O-N 3.45Å; Q214-E218 WeakPolarHBondContact O-CB 3.39Å; Q214-E218 PolarHBondContact O-N 2.92Å |
| 215 | L | 75.1 | Confident | 71.4 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -35.9 | 174.3 | -63.2 | 175.5 | 0 | 0 | 0 | 112.1 | I198 V199 F204 K210 S211 N212 L219 | I198-L215 HydrophobicContact CG2-CD1 4.32Å; V199-L215 HydrophobicContact CG2-CB 3.84Å; F204-L215 HydrophobicContact CD1-CD1 4.16Å; F204-L215 HydrophobicContact CE1-CD1 4.07Å; K210-L215 HydrophobicContact CB-CD2 4.15Å; K210-L215 HydrophobicContact CB-CG 4.25Å; K210-L215 HydrophobicContact CD-CD2 4.03Å; S211-L215 PolarHBondContact O-N 3.39Å; N212-L215 PolarHBondContact O-N 3.18Å; L215-L219 WeakPolarHBondContact O-CB 3.26Å; L215-L219 PolarHBondContact O-N 2.98Å |
| 216 | W | 76.4 | Confident | 71.8 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 168.6 | -96.1 | 98.3 | 0 | 0 | 0 | 112.5 | V199 N212 Y213 Q214 L219 C220 I238 F246 | V199-W216 HydrophobicContact CG1-CD2 3.51Å; V199-W216 HydrophobicContact CG1-CE3 4.31Å; V199-W216 HydrophobicContact CG1-CG 3.63Å; V199-W216 HydrophobicContact CG1-CH2 4.44Å; V199-W216 HydrophobicContact CG1-CZ2 3.67Å; N212-W216 PolarHBondContact O-N 2.92Å; Y213-W216 WeakPolarHBondContact O-CB 3.3Å; Y213-W216 PolarHBondContact O-N 3.33Å; Q214-W216 VanDerWaalsContact C-N 3.34Å; W216-L219 HydrophobicContact CE3-CD2 4.48Å; W216-L219 WeakPolarHBondContact O-CB 3.27Å; W216-L219 PolarHBondContact O-N 3.08Å; W216-C220 WeakPolarHBondContact O-CB 3.48Å; W216-C220 PolarHBondContact O-N 2.94Å; W216-C220 PolarHBondContact O-SG 3.29Å; W216-I238 HydrophobicContact CH2-CG2 3.91Å; W216-I238 WeakPolarHBondContact CH2-O 3.39Å; W216-I238 HydrophobicContact CZ3-CG2 3.77Å; W216-I238 VanDerWaalsContact CZ3-O 3.26Å; W216-I238 WeakPolarHBondContact CZ3-O 3.18Å; W216-F246 HydrophobicContact CB-CE2 4.3Å; W216-F246 AromaticContact CD1-CE2 3.12Å; W216-F246 AromaticContact CD1-CZ 3.3Å; W216-F246 HydrophobicContact CD2-CE2 4.01Å; W216-F246 AromaticContact CE2-CE2 3.87Å; W216-F246 HydrophobicContact CG-CD2 4.37Å; W216-F246 AromaticContact CG-CE2 3.56Å; W216-F246 HydrophobicContact CG-CE2 3.56Å; W216-F246 HydrophobicContact CG-CZ 4.09Å; W216-F246 AromaticContact NE1-CE2 3.29Å; W216-F246 VanDerWaalsContact NE1-CE2 3.29Å; W216-F246 AromaticContact NE1-CZ 3.65Å |
| 217 | H | 76.6 | Confident | 71.8 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 177.1 | -164.1 | -63.9 | 0 | 0 | 0 | 111.2 | Y213 Q214 L219 C220 D221 | Y213-H217 WeakPolarHBondContact O-CB 3.3Å; Y213-H217 PolarHBondContact O-N 3.49Å; Q214-H217 PolarHBondContact O-N 3.45Å; H217-L219 VanDerWaalsContact C-N 3.27Å; H217-L219 PolarHBondContact O-N 3.41Å; H217-C220 PolarHBondContact O-N 2.9Å; H217-D221 IonicContact CE1-OD1 3.77Å; H217-D221 PolarHBondContact CE1-OD1 3.1Å; H217-D221 IonicContact CE1-OD2 3.97Å; H217-D221 PolarHBondContact CE1-OD2 3.3Å; H217-D221 IonicContact ND1-OD1 2.68Å; H217-D221 IonicContact ND1-OD2 3.23Å; H217-D221 PolarHBondContact ND1-OD2 3.16Å; H217-D221 WeakPolarHBondContact O-CB 3.15Å; H217-D221 VanDerWaalsContact O-CG 3.3Å; H217-D221 PolarHBondContact O-N 3.32Å |
| 218 | E | 76 | Confident | 71.9 | Confident | 39 Ų | 39 | 45.4 Ų | 45.4 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -32.7 | 175.1 | -81.2 | -162.9 | -134.9 | 0 | 0 | 113.3 | R183 K210 Q214 L222 | R183-E218 IonicContact CZ-OE2 2.65Å; R183-E218 VanDerWaalsContact CZ-OE2 3.23Å; R183-E218 IonicContact NH1-OE2 3.22Å; R183-E218 PolarHBondContact NH1-OE2 3.26Å; R183-E218 IonicContact NH2-OE2 2.69Å; R183-E218 PolarHBondContact NH2-OE2 3.08Å; K210-E218 WeakPolarHBondContact CD-OE1 3.48Å; K210-E218 WeakPolarHBondContact CE-OE1 3.44Å; K210-E218 IonicContact NZ-OE1 3.27Å; K210-E218 PolarHBondContact NZ-OE1 3Å; K210-E218 IonicContact NZ-OE2 3.94Å; Q214-E218 WeakPolarHBondContact O-CB 3.39Å; Q214-E218 PolarHBondContact O-N 2.92Å; E218-L222 VanDerWaalsContact O-CB 3.26Å; E218-L222 WeakPolarHBondContact O-CB 3.49Å; E218-L222 PolarHBondContact O-N 3.19Å |
| 219 | L | 77.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.2 | -47.6 | 172.3 | 174.4 | 61.1 | 0 | 0 | 0 | 111.1 | A192 L195 A196 V199 L215 W216 H217 L222 I223 I238 | A192-L219 HydrophobicContact CB-CD1 4.45Å; L195-L219 HydrophobicContact CB-CB 4.34Å; L195-L219 HydrophobicContact CB-CD1 3.78Å; L195-L219 HydrophobicContact CB-CG 4.48Å; L195-L219 HydrophobicContact CD1-CD1 4.44Å; A196-L219 HydrophobicContact CB-CD2 4.14Å; V199-L219 HydrophobicContact CB-CD2 4.41Å; V199-L219 HydrophobicContact CG1-CD2 4.15Å; V199-L219 HydrophobicContact CG2-CD2 4.44Å; L215-L219 WeakPolarHBondContact O-CB 3.26Å; L215-L219 PolarHBondContact O-N 2.98Å; W216-L219 HydrophobicContact CE3-CD2 4.48Å; W216-L219 WeakPolarHBondContact O-CB 3.27Å; W216-L219 PolarHBondContact O-N 3.08Å; H217-L219 VanDerWaalsContact C-N 3.27Å; H217-L219 PolarHBondContact O-N 3.41Å; L219-L222 PolarHBondContact O-N 3.4Å; L219-I223 HydrophobicContact CD1-CD1 3.6Å; L219-I223 HydrophobicContact CD1-CG1 4.22Å; L219-I223 HydrophobicContact CG-CD1 3.89Å; L219-I223 WeakPolarHBondContact O-CB 3.46Å; L219-I223 WeakPolarHBondContact O-CD1 3.14Å; L219-I223 VanDerWaalsContact O-CG1 3.24Å; L219-I223 WeakPolarHBondContact O-CG1 3.22Å; L219-I223 PolarHBondContact O-N 2.88Å; L219-I238 HydrophobicContact CD2-CG2 4.25Å |
| 220 | C | 73.4 | Confident | 72.1 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -41.9 | 178.3 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | W216 H217 I223 S224 L253 | W216-C220 WeakPolarHBondContact O-CB 3.48Å; W216-C220 PolarHBondContact O-N 2.94Å; W216-C220 PolarHBondContact O-SG 3.29Å; H217-C220 PolarHBondContact O-N 2.9Å; C220-I223 PolarHBondContact O-N 3.35Å; C220-S224 VanDerWaalsContact O-CB 3.3Å; C220-S224 WeakPolarHBondContact O-CB 3.18Å; C220-S224 PolarHBondContact O-N 2.88Å; C220-S224 PolarHBondContact O-OG 2.93Å; C220-L253 HydrophobicContact CB-CD2 4.35Å; C220-L253 VanDerWaalsContact SG-CD2 3.6Å |
| 221 | D | 77.1 | Confident | 71.6 | Confident | 54 Ų | 54 | 45.6 Ų | 45.6 | 29% | 0.289 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 175.4 | -71.3 | -28 | 0 | 0 | 0 | 112 | H217 I223 S224 Q225 | H217-D221 IonicContact CE1-OD1 3.77Å; H217-D221 PolarHBondContact CE1-OD1 3.1Å; H217-D221 IonicContact CE1-OD2 3.97Å; H217-D221 PolarHBondContact CE1-OD2 3.3Å; H217-D221 IonicContact ND1-OD1 2.68Å; H217-D221 IonicContact ND1-OD2 3.23Å; H217-D221 PolarHBondContact ND1-OD2 3.16Å; H217-D221 WeakPolarHBondContact O-CB 3.15Å; H217-D221 VanDerWaalsContact O-CG 3.3Å; H217-D221 PolarHBondContact O-N 3.32Å; D221-I223 VanDerWaalsContact C-N 3.27Å; D221-I223 PolarHBondContact O-N 3.28Å; D221-S224 PolarHBondContact O-N 3.28Å; D221-S224 PolarHBondContact O-OG 3.48Å; D221-Q225 VanDerWaalsContact O-CB 3.27Å; D221-Q225 WeakPolarHBondContact O-CB 3.15Å; D221-Q225 WeakPolarHBondContact O-CG 3.23Å; D221-Q225 PolarHBondContact O-N 2.86Å |
| 222 | L | 74.6 | Confident | 70.9 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64 | -37 | 179.7 | -177.6 | 146.3 | 0 | 0 | 0 | 111.4 | R183 L188 A191 A192 L195 E218 L219 | R183-L222 HydrophobicContact CG-CD1 4.01Å; L188-L222 HydrophobicContact CB-CD2 4.45Å; L188-L222 HydrophobicContact CD2-CD1 4.31Å; A191-L222 HydrophobicContact CB-CD1 4.25Å; A192-L222 HydrophobicContact CB-CD2 3.82Å; L195-L222 HydrophobicContact CD1-CD1 4.17Å; E218-L222 VanDerWaalsContact O-CB 3.26Å; E218-L222 WeakPolarHBondContact O-CB 3.49Å; E218-L222 PolarHBondContact O-N 3.19Å; L219-L222 PolarHBondContact O-N 3.4Å |
| 223 | I | 73.2 | Confident | 70.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.4 | -49.3 | 176 | -70.5 | 169.7 | 0 | 0 | 0 | 111.4 | L219 C220 D221 Q225 N226 V235 Y260 | L219-I223 HydrophobicContact CD1-CD1 3.6Å; L219-I223 HydrophobicContact CD1-CG1 4.22Å; L219-I223 HydrophobicContact CG-CD1 3.89Å; L219-I223 WeakPolarHBondContact O-CB 3.46Å; L219-I223 WeakPolarHBondContact O-CD1 3.14Å; L219-I223 VanDerWaalsContact O-CG1 3.24Å; L219-I223 WeakPolarHBondContact O-CG1 3.22Å; L219-I223 PolarHBondContact O-N 2.88Å; C220-I223 PolarHBondContact O-N 3.35Å; D221-I223 VanDerWaalsContact C-N 3.27Å; D221-I223 PolarHBondContact O-N 3.28Å; I223-Q225 VanDerWaalsContact C-N 3.28Å; I223-Q225 PolarHBondContact O-N 3.09Å; I223-N226 CarbonylContact O-C 3.53Å; I223-N226 PolarHBondContact O-N 3.14Å; I223-V235 HydrophobicContact CG2-CB 4.01Å; I223-V235 HydrophobicContact CG2-CG1 3.39Å; I223-V235 HydrophobicContact CG2-CG2 3.43Å; I223-V235 VanDerWaalsContact CG2-CG2 3.43Å; I223-Y260 HydrophobicContact CG2-CD2 3.83Å; I223-Y260 HydrophobicContact CG2-CE2 4.11Å |
| 224 | S | 70.4 | Confident | 70.4 | Confident | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -34.4 | -177.7 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | C220 D221 S256 R263 | C220-S224 VanDerWaalsContact O-CB 3.3Å; C220-S224 WeakPolarHBondContact O-CB 3.18Å; C220-S224 PolarHBondContact O-N 2.88Å; C220-S224 PolarHBondContact O-OG 2.93Å; D221-S224 PolarHBondContact O-N 3.28Å; D221-S224 PolarHBondContact O-OG 3.48Å; S224-S256 WeakPolarHBondContact CB-O 3.41Å; S224-R263 VanDerWaalsContact O-CD 3.25Å; S224-R263 WeakPolarHBondContact O-CD 3.45Å |
| 225 | Q | 74.1 | Confident | 69.9 | Low | 110 Ų | 110 | 44.6 Ų | 44.6 | 51% | 0.514 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75 | -24 | 178.9 | -69.7 | 176.4 | 25 | 0 | 0 | 114.3 | D221 I223 | D221-Q225 VanDerWaalsContact O-CB 3.27Å; D221-Q225 WeakPolarHBondContact O-CB 3.15Å; D221-Q225 WeakPolarHBondContact O-CG 3.23Å; D221-Q225 PolarHBondContact O-N 2.86Å; I223-Q225 VanDerWaalsContact C-N 3.28Å; I223-Q225 PolarHBondContact O-N 3.09Å |
| 226 | N | 68.9 | Low | 69.5 | Low | 36 Ų | 36 | 44.4 Ų | 44.4 | 19% | 0.193 | 24% | 0.238 | C | C | . | . | trans | -135 | 62.1 | -173.6 | -66.6 | -96.5 | 0 | 0 | 0 | 114.5 | L188 I223 D228 K229 | L188-N226 HydrophobicContact CD1-CB 3.73Å; L188-N226 WeakPolarHBondContact CD1-OD1 3.31Å; I223-N226 CarbonylContact O-C 3.53Å; I223-N226 PolarHBondContact O-N 3.14Å; N226-D228 PolarHBondContact O-N 3.21Å; N226-K229 HydrophobicContact CB-CD 4.31Å; N226-K229 PolarHBondContact O-N 3.37Å; N226-K229 PolarHBondContact OD1-NZ 3.31Å | ||
| 227 | P | 65.2 | Low | 69.2 | Low | 15 Ų | 15 | 46.9 Ų | 46.9 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -42.1 | -179.7 | -24.7 | 34.8 | 0 | 0 | 0 | 114.5 | K229 Y260 R263 | P227-K229 PolarHBondContact O-N 3.13Å; P227-Y260 HydrophobicContact CB-CD2 3.95Å; P227-Y260 HydrophobicContact CB-CE2 3.68Å; P227-Y260 HydrophobicContact CG-CD2 3.87Å; P227-Y260 HydrophobicContact CG-CE2 4.13Å; P227-R263 HydrophobicContact CG-CB 3.81Å |
| 228 | D | 65.1 | Low | 68.8 | Low | 142 Ų | 142 | 46.1 Ų | 46.1 | 76% | 0.759 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.1 | -172.8 | -55 | -32.4 | 0 | 0 | 0 | 114.4 | N226 | N226-D228 PolarHBondContact O-N 3.21Š|
| 229 | K | 64.4 | Low | 68.5 | Low | 113 Ų | 113 | 44.2 Ų | 44.2 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -48.6 | -178.2 | -66.9 | 167.7 | -168.7 | 157.6 | 0 | 110.1 | L188 D189 N226 P227 T231 | L188-K229 HydrophobicContact CD1-CD 3.87Å; D189-K229 VanDerWaalsContact CG-O 3.25Å; N226-K229 HydrophobicContact CB-CD 4.31Å; N226-K229 PolarHBondContact O-N 3.37Å; N226-K229 PolarHBondContact OD1-NZ 3.31Å; P227-K229 PolarHBondContact O-N 3.13Å; K229-T231 PolarHBondContact O-N 3.33Å |
| 230 | V | 63.9 | Low | 68.3 | Low | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | trans | -75.4 | 70.8 | -172.5 | -169.1 | 0 | 0 | 0 | 0 | 112.2 | A192 L233 | A192-V230 HydrophobicContact CB-CG1 3.97Å; A192-V230 HydrophobicContact CB-CG2 4.41Å; V230-L233 HydrophobicContact CG1-CB 4.2Å; V230-L233 HydrophobicContact CG1-CD1 4.08Å | ||
| 231 | T | 61.8 | Low | 68.1 | Low | 118 Ų | 118 | 50.3 Ų | 50.3 | 72% | 0.724 | 28% | 0.277 | S | S | * | . | trans | -82.2 | -17.9 | -178.7 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | K229 | K229-T231 PolarHBondContact O-N 3.33Š| ||
| 232 | S | 60.3 | Low | 67.6 | Low | 72 Ų | 72 | 47.7 Ų | 47.7 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -90.9 | -3.7 | -169.3 | 57.5 | 0 | 0 | 0 | 0 | 115.4 | ||
| 233 | L | 63.3 | Low | 67.3 | Low | 37 Ų | 37 | 48.3 Ų | 48.3 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -126.6 | 136.1 | -174.5 | -71.4 | 169.6 | 0 | 0 | 0 | 110.9 | A192 V193 V230 V235 I238 | A192-L233 HydrophobicContact CB-CD1 3.63Å; V193-L233 HydrophobicContact CG2-CD1 4Å; V193-L233 HydrophobicContact CG2-CD2 4.06Å; V193-L233 HydrophobicContact CG2-CG 3.95Å; V230-L233 HydrophobicContact CG1-CB 4.2Å; V230-L233 HydrophobicContact CG1-CD1 4.08Å; L233-V235 VanDerWaalsContact C-N 3.31Å; L233-V235 PolarHBondContact O-N 2.99Å; L233-I238 HydrophobicContact CB-CD1 3.73Å; L233-I238 HydrophobicContact CD1-CD1 4.32Å; L233-I238 HydrophobicContact CD2-CD1 3.8Å; L233-I238 HydrophobicContact CG-CD1 4.16Å |
| 234 | N | 66 | Low | 67 | Low | 117 Ų | 117 | 54 Ų | 54 | 63% | 0.626 | 30% | 0.302 | S | S | * | . | trans | -78.4 | 85.6 | 170.5 | -172.7 | -18 | 0 | 0 | 0 | 109.6 | G236 A237 I238 | N234-G236 VanDerWaalsContact C-N 3.3Å; N234-G236 PolarHBondContact O-N 3.18Å; N234-A237 HydrophobicContact CB-CB 4.17Å; N234-A237 PolarHBondContact O-N 3.5Å; N234-A237 PolarHBondContact OD1-N 3.26Å; N234-I238 WeakPolarHBondContact O-CG1 3.18Å; N234-I238 PolarHBondContact O-N 3.13Å; N234-I238 VanDerWaalsContact O-N 3.11Å | ||
| 235 | V | 65.6 | Low | 66.8 | Low | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -48.6 | -48.2 | -177.2 | 169.6 | 0 | 0 | 0 | 0 | 112.7 | I223 L233 A237 I238 I239 Y260 | I223-V235 HydrophobicContact CG2-CB 4.01Å; I223-V235 HydrophobicContact CG2-CG1 3.39Å; I223-V235 HydrophobicContact CG2-CG2 3.43Å; I223-V235 VanDerWaalsContact CG2-CG2 3.43Å; L233-V235 VanDerWaalsContact C-N 3.31Å; L233-V235 PolarHBondContact O-N 2.99Å; V235-A237 VanDerWaalsContact C-N 3.3Å; V235-A237 PolarHBondContact O-N 3.05Å; V235-I238 PolarHBondContact O-N 3.02Å; V235-I238 VanDerWaalsContact O-N 3.14Å; V235-I239 HydrophobicContact CG1-CD1 3.72Å; V235-I239 HydrophobicContact CG1-CG1 4.37Å; V235-I239 PolarHBondContact O-N 3.48Å; V235-Y260 HydrophobicContact CB-CD1 4.43Å; V235-Y260 HydrophobicContact CB-CD2 4.48Å; V235-Y260 HydrophobicContact CB-CE1 3.97Å; V235-Y260 HydrophobicContact CB-CE2 4Å; V235-Y260 HydrophobicContact CG1-CD1 3.75Å; V235-Y260 HydrophobicContact CG1-CD2 3.8Å; V235-Y260 HydrophobicContact CG1-CE1 3.81Å; V235-Y260 HydrophobicContact CG1-CE2 3.83Å; V235-Y260 HydrophobicContact CG1-CG 3.76Å; V235-Y260 HydrophobicContact CG2-CD2 4.41Å; V235-Y260 HydrophobicContact CG2-CE1 4.49Å; V235-Y260 HydrophobicContact CG2-CE2 3.69Å |
| 236 | G | 65.3 | Low | 66.4 | Low | 4 Ų | 4 | 56 Ų | 56 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.1 | -32.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N234 R240 | N234-G236 VanDerWaalsContact C-N 3.3Å; N234-G236 PolarHBondContact O-N 3.18Å; G236-R240 VanDerWaalsContact O-CB 3.28Å; G236-R240 WeakPolarHBondContact O-CB 3.42Å; G236-R240 VanDerWaalsContact O-CG 3.26Å; G236-R240 WeakPolarHBondContact O-CG 3.41Å; G236-R240 PolarHBondContact O-N 2.75Å |
| 237 | A | 70.2 | Confident | 66.1 | Low | 57 Ų | 57 | 59.3 Ų | 59.3 | 47% | 0.471 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.9 | -34.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N234 V235 G241 | N234-A237 HydrophobicContact CB-CB 4.17Å; N234-A237 PolarHBondContact O-N 3.5Å; N234-A237 PolarHBondContact OD1-N 3.26Å; V235-A237 VanDerWaalsContact C-N 3.3Å; V235-A237 PolarHBondContact O-N 3.05Å; A237-G241 PolarHBondContact O-N 3.16Å |
| 238 | I | 68.6 | Low | 65.9 | Low | 32 Ų | 32 | 64 Ų | 64 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.1 | -50 | 180 | -66.8 | 164.1 | 0 | 0 | 0 | 110.4 | W216 L219 L233 N234 V235 R240 G241 G242 | W216-I238 HydrophobicContact CH2-CG2 3.91Å; W216-I238 WeakPolarHBondContact CH2-O 3.39Å; W216-I238 HydrophobicContact CZ3-CG2 3.77Å; W216-I238 VanDerWaalsContact CZ3-O 3.26Å; W216-I238 WeakPolarHBondContact CZ3-O 3.18Å; L219-I238 HydrophobicContact CD2-CG2 4.25Å; L233-I238 HydrophobicContact CB-CD1 3.73Å; L233-I238 HydrophobicContact CD1-CD1 4.32Å; L233-I238 HydrophobicContact CD2-CD1 3.8Å; L233-I238 HydrophobicContact CG-CD1 4.16Å; N234-I238 WeakPolarHBondContact O-CG1 3.18Å; N234-I238 PolarHBondContact O-N 3.13Å; N234-I238 VanDerWaalsContact O-N 3.11Å; V235-I238 PolarHBondContact O-N 3.02Å; V235-I238 VanDerWaalsContact O-N 3.14Å; I238-R240 PolarHBondContact O-N 3.3Å; I238-G241 CarbonylContact O-C 3.58Å; I238-G241 WeakPolarHBondContact O-CA 3.34Å; I238-G241 PolarHBondContact O-N 3.22Å; I238-G242 PolarHBondContact O-N 3.31Å |
| 239 | I | 69.8 | Low | 66 | Low | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67 | -38 | -179.2 | -57.3 | 174.4 | 0 | 0 | 0 | 110.7 | V235 G241 G242 L243 L257 | V235-I239 HydrophobicContact CG1-CD1 3.72Å; V235-I239 HydrophobicContact CG1-CG1 4.37Å; V235-I239 PolarHBondContact O-N 3.48Å; I239-G241 VanDerWaalsContact C-N 3.29Å; I239-G241 PolarHBondContact O-N 2.67Å; I239-G242 WeakPolarHBondContact O-CA 3.44Å; I239-G242 PolarHBondContact O-N 2.99Å; I239-L243 HydrophobicContact CG2-CD1 4.49Å; I239-L243 WeakPolarHBondContact O-CG 3.37Å; I239-L243 PolarHBondContact O-N 2.96Å; I239-L257 HydrophobicContact CB-CD1 4.21Å; I239-L257 HydrophobicContact CD1-CB 4.33Å; I239-L257 HydrophobicContact CD1-CD1 3.97Å; I239-L257 HydrophobicContact CG2-CB 4Å; I239-L257 HydrophobicContact CG2-CD2 4.41Å |
| 240 | R | 72.7 | Confident | 66.3 | Low | 105 Ų | 105 | 57.2 Ų | 57.2 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.8 | -33.3 | 169 | -75.1 | -179.7 | 171.1 | 132.3 | -2.1 | 113.2 | G236 I238 L243 T244 E276 | G236-R240 VanDerWaalsContact O-CB 3.28Å; G236-R240 WeakPolarHBondContact O-CB 3.42Å; G236-R240 VanDerWaalsContact O-CG 3.26Å; G236-R240 WeakPolarHBondContact O-CG 3.41Å; G236-R240 PolarHBondContact O-N 2.75Å; I238-R240 PolarHBondContact O-N 3.3Å; R240-L243 HydrophobicContact CG-CD1 4.48Å; R240-L243 PolarHBondContact O-N 2.86Å; R240-T244 PolarHBondContact O-N 2.9Å; R240-E276 IonicContact CZ-OE2 3.36Å; R240-E276 IonicContact NE-OE1 2.66Å; R240-E276 IonicContact NE-OE2 2.81Å; R240-E276 IonicContact NH2-OE1 3.31Å; R240-E276 IonicContact NH2-OE2 2.67Å; R240-E276 PolarHBondContact NH2-OE2 2.68Å |
| 241 | G | 70.1 | Confident | 66.8 | Low | 24 Ų | 24 | 57 Ų | 57 | 25% | 0.247 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.4 | -35.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A237 I238 I239 T244 R245 | A237-G241 PolarHBondContact O-N 3.16Å; I238-G241 CarbonylContact O-C 3.58Å; I238-G241 WeakPolarHBondContact O-CA 3.34Å; I238-G241 PolarHBondContact O-N 3.22Å; I239-G241 VanDerWaalsContact C-N 3.29Å; I239-G241 PolarHBondContact O-N 2.67Å; G241-T244 PolarHBondContact O-OG1 3.32Å; G241-T244 VanDerWaalsContact O-OG1 3.05Å; G241-R245 WeakPolarHBondContact O-CG 3.37Å; G241-R245 PolarHBondContact O-N 3.23Å |
| 242 | G | 66.8 | Low | 67.5 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I238 I239 T244 R245 F246 | I238-G242 PolarHBondContact O-N 3.31Å; I239-G242 WeakPolarHBondContact O-CA 3.44Å; I239-G242 PolarHBondContact O-N 2.99Å; G242-T244 PolarHBondContact O-N 3.02Å; G242-R245 PolarHBondContact O-N 3.16Å; G242-F246 WeakPolarHBondContact O-CD2 3.34Å; G242-F246 PolarHBondContact O-N 3.26Å |
| 243 | L | 67.4 | Low | 68.4 | Low | 24 Ų | 24 | 51.6 Ų | 51.6 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -26.6 | 178.5 | -67.3 | 165.8 | 0 | 0 | 0 | 113.5 | I239 R240 L250 L253 W254 | I239-L243 HydrophobicContact CG2-CD1 4.49Å; I239-L243 WeakPolarHBondContact O-CG 3.37Å; I239-L243 PolarHBondContact O-N 2.96Å; R240-L243 HydrophobicContact CG-CD1 4.48Å; R240-L243 PolarHBondContact O-N 2.86Å; L243-L250 HydrophobicContact CB-CD2 4.27Å; L243-L250 HydrophobicContact CD2-CB 4.46Å; L243-L250 HydrophobicContact CD2-CD2 3.55Å; L243-L253 HydrophobicContact CD2-CB 3.61Å; L243-L253 HydrophobicContact CD2-CD1 4.2Å; L243-L253 HydrophobicContact CG-CB 4.34Å; L243-W254 HydrophobicContact CD1-CD2 3.8Å; L243-W254 HydrophobicContact CD1-CE3 3.9Å; L243-W254 HydrophobicContact CD1-CH2 3.7Å; L243-W254 HydrophobicContact CD1-CZ2 3.61Å; L243-W254 HydrophobicContact CD1-CZ3 3.86Å; L243-W254 HydrophobicContact CD2-CD2 4.11Å; L243-W254 HydrophobicContact CD2-CG 4.11Å; L243-W254 HydrophobicContact CD2-CZ2 4.49Å |
| 244 | T | 67 | Low | 69.3 | Low | 119 Ų | 119 | 50.3 Ų | 50.3 | 73% | 0.73 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -85.2 | -19 | 173.2 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | R240 G241 G242 | R240-T244 PolarHBondContact O-N 2.9Å; G241-T244 PolarHBondContact O-OG1 3.32Å; G241-T244 VanDerWaalsContact O-OG1 3.05Å; G242-T244 PolarHBondContact O-N 3.02Å |
| 245 | R | 66.8 | Low | 70.1 | Confident | 116 Ų | 116 | 45.4 Ų | 45.4 | 44% | 0.438 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -93.4 | -31 | -179.2 | -73.1 | -177.2 | -179.2 | 166.4 | 6.9 | 113.8 | N200 G241 G242 | N200-R245 PolarHBondContact OD1-NH1 2.9Å; N200-R245 PolarHBondContact OD1-NH2 3.4Å; G241-R245 WeakPolarHBondContact O-CG 3.37Å; G241-R245 PolarHBondContact O-N 3.23Å; G242-R245 PolarHBondContact O-N 3.16Å |
| 246 | F | 64.9 | Low | 70.5 | Confident | 39 Ų | 39 | 45.7 Ų | 45.7 | 17% | 0.171 | 24% | 0.243 | C | C | . | . | trans | -115.8 | 109.7 | 177.7 | -53.2 | -82.3 | 0 | 0 | 0 | 110.2 | Y213 W216 G242 D248 L250 | Y213-F246 HydrophobicContact CD2-CB 4.24Å; Y213-F246 HydrophobicContact CD2-CD1 4.02Å; Y213-F246 AromaticContact CD2-CG 3.98Å; Y213-F246 HydrophobicContact CD2-CG 3.98Å; W216-F246 HydrophobicContact CB-CE2 4.3Å; W216-F246 AromaticContact CD1-CE2 3.12Å; W216-F246 AromaticContact CD1-CZ 3.3Å; W216-F246 HydrophobicContact CD2-CE2 4.01Å; W216-F246 AromaticContact CE2-CE2 3.87Å; W216-F246 HydrophobicContact CG-CD2 4.37Å; W216-F246 AromaticContact CG-CE2 3.56Å; W216-F246 HydrophobicContact CG-CE2 3.56Å; W216-F246 HydrophobicContact CG-CZ 4.09Å; W216-F246 AromaticContact NE1-CE2 3.29Å; W216-F246 VanDerWaalsContact NE1-CE2 3.29Å; W216-F246 AromaticContact NE1-CZ 3.65Å; G242-F246 WeakPolarHBondContact O-CD2 3.34Å; G242-F246 PolarHBondContact O-N 3.26Å; F246-D248 PolarHBondContact O-N 2.94Å; F246-L250 WeakPolarHBondContact O-CD2 3.43Å | ||
| 247 | T | 62.1 | Low | 71.2 | Confident | 107 Ų | 107 | 45.5 Ų | 45.5 | 66% | 0.656 | 24% | 0.241 | S | C | * | . | trans | -71.6 | -15.6 | 170.9 | 49.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 248 | D | 61.5 | Low | 71.8 | Confident | 114 Ų | 114 | 42.8 Ų | 42.8 | 61% | 0.61 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -108.7 | 129 | -166.3 | -62.7 | 11.8 | 0 | 0 | 0 | 109.8 | F246 | F246-D248 PolarHBondContact O-N 2.94Š|
| 249 | Q | 66.8 | Low | 72.3 | Confident | 89 Ų | 89 | 44.1 Ų | 44.1 | 42% | 0.416 | 23% | 0.226 | S | C | . | . | trans | 62.5 | 42.2 | -175.7 | -57.9 | -179.1 | 49.2 | 0 | 0 | 114.5 | Y213 G251 D286 | Y213-Q249 HydrophobicContact CE2-CB 4.24Å; Y213-Q249 WeakPolarHBondContact OH-CB 3.33Å; Y213-Q249 PolarHBondContact OH-OE1 3.42Å; Q249-G251 PolarHBondContact O-N 3.43Å; Q249-D286 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 250 | L | 71.4 | Confident | 72.8 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57 | -29.8 | 174.4 | -70.8 | 169.2 | 0 | 0 | 0 | 112.9 | L243 F246 K252 L253 W254 D286 | L243-L250 HydrophobicContact CB-CD2 4.27Å; L243-L250 HydrophobicContact CD2-CB 4.46Å; L243-L250 HydrophobicContact CD2-CD2 3.55Å; F246-L250 WeakPolarHBondContact O-CD2 3.43Å; L250-K252 PolarHBondContact O-N 2.86Å; L250-L253 PolarHBondContact O-N 2.66Å; L250-W254 VanDerWaalsContact O-CD1 3.26Å; L250-W254 PolarHBondContact O-N 2.88Å; L250-D286 PolarHBondContact N-OD1 3.1Å |
| 251 | G | 73.9 | Confident | 73.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.3 | -43.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q249 L253 W254 C255 D286 | Q249-G251 PolarHBondContact O-N 3.43Å; G251-L253 PolarHBondContact O-N 3.09Å; G251-W254 PolarHBondContact O-N 3.18Å; G251-C255 PolarHBondContact O-N 3.43Å; G251-C255 PolarHBondContact O-SG 3.33Å; G251-D286 WeakPolarHBondContact CA-OD1 3.36Å; G251-D286 PolarHBondContact N-OD1 3.3Å |
| 252 | K | 77.1 | Confident | 73.8 | Confident | 74 Ų | 74 | 43.4 Ų | 43.4 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.5 | -70.3 | 172.6 | 175.1 | 175.7 | 0 | 112.8 | L250 C255 S256 | L250-K252 PolarHBondContact O-N 2.86Å; K252-C255 PolarHBondContact O-N 3.38Å; K252-S256 WeakPolarHBondContact O-CB 3.34Å; K252-S256 PolarHBondContact O-N 2.81Å |
| 253 | L | 78.9 | Confident | 74.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.6 | -42.6 | 178.9 | -68.1 | 173.7 | 0 | 0 | 0 | 110.8 | C220 L243 L250 G251 S256 L257 | C220-L253 HydrophobicContact CB-CD2 4.35Å; C220-L253 VanDerWaalsContact SG-CD2 3.6Å; L243-L253 HydrophobicContact CD2-CB 3.61Å; L243-L253 HydrophobicContact CD2-CD1 4.2Å; L243-L253 HydrophobicContact CG-CB 4.34Å; L250-L253 PolarHBondContact O-N 2.66Å; G251-L253 PolarHBondContact O-N 3.09Å; L253-S256 PolarHBondContact O-N 2.94Å; L253-S256 PolarHBondContact O-OG 3.2Å; L253-L257 PolarHBondContact O-N 3.08Å |
| 254 | W | 83.1 | Confident | 74.8 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 173.3 | -78.4 | 123.3 | 0 | 0 | 0 | 112.7 | L243 L250 G251 S256 L257 A258 V273 E276 A277 T280 V290 | L243-W254 HydrophobicContact CD1-CD2 3.8Å; L243-W254 HydrophobicContact CD1-CE3 3.9Å; L243-W254 HydrophobicContact CD1-CH2 3.7Å; L243-W254 HydrophobicContact CD1-CZ2 3.61Å; L243-W254 HydrophobicContact CD1-CZ3 3.86Å; L243-W254 HydrophobicContact CD2-CD2 4.11Å; L243-W254 HydrophobicContact CD2-CG 4.11Å; L243-W254 HydrophobicContact CD2-CZ2 4.49Å; L250-W254 VanDerWaalsContact O-CD1 3.26Å; L250-W254 PolarHBondContact O-N 2.88Å; G251-W254 PolarHBondContact O-N 3.18Å; W254-S256 VanDerWaalsContact C-N 3.34Å; W254-S256 PolarHBondContact O-N 3.19Å; W254-L257 HydrophobicContact CE3-CD2 4.08Å; W254-L257 HydrophobicContact CZ3-CD2 3.9Å; W254-L257 PolarHBondContact O-N 2.61Å; W254-A258 PolarHBondContact O-N 2.68Å; W254-V273 HydrophobicContact CE3-CG1 3.78Å; W254-V273 HydrophobicContact CZ3-CG1 4.03Å; W254-E276 HydrophobicContact CH2-CB 4.08Å; W254-E276 HydrophobicContact CH2-CG 3.61Å; W254-E276 HydrophobicContact CZ2-CG 4.32Å; W254-E276 HydrophobicContact CZ3-CB 4.29Å; W254-E276 HydrophobicContact CZ3-CG 4.26Å; W254-A277 HydrophobicContact CB-CB 3.73Å; W254-A277 HydrophobicContact CD2-CB 3.46Å; W254-A277 VanDerWaalsContact CD2-CB 3.46Å; W254-A277 HydrophobicContact CE3-CB 3.87Å; W254-A277 HydrophobicContact CG-CB 3.4Å; W254-A277 VanDerWaalsContact CG-CB 3.4Å; W254-T280 HydrophobicContact CZ2-CG2 4.39Å; W254-T280 VanDerWaalsContact CZ2-OG1 3.26Å; W254-T280 WeakPolarHBondContact CZ2-OG1 3.38Å; W254-T280 PolarHBondContact NE1-OG1 3.08Å; W254-V290 HydrophobicContact CB-CG2 4.02Å |
| 255 | C | 82.1 | Confident | 75.4 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 10% | 0.095 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.6 | -45.1 | 173 | -62.6 | 0 | 0 | 0 | 0 | 111.4 | G251 K252 L257 A258 D259 S293 | G251-C255 PolarHBondContact O-N 3.43Å; G251-C255 PolarHBondContact O-SG 3.33Å; K252-C255 PolarHBondContact O-N 3.38Å; C255-L257 VanDerWaalsContact C-N 3.3Å; C255-L257 PolarHBondContact O-N 3.31Å; C255-A258 PolarHBondContact O-N 3.04Å; C255-D259 WeakPolarHBondContact O-CB 3.32Å; C255-D259 PolarHBondContact O-N 2.95Å; C255-S293 PolarHBondContact SG-OG 3.23Å |
| 256 | S | 75.2 | Confident | 76.1 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -31.4 | 179.2 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | S224 K252 L253 W254 Y260 | S224-S256 WeakPolarHBondContact CB-O 3.41Å; K252-S256 WeakPolarHBondContact O-CB 3.34Å; K252-S256 PolarHBondContact O-N 2.81Å; L253-S256 PolarHBondContact O-N 2.94Å; L253-S256 PolarHBondContact O-OG 3.2Å; W254-S256 VanDerWaalsContact C-N 3.34Å; W254-S256 PolarHBondContact O-N 3.19Å; S256-Y260 PolarHBondContact O-N 2.68Å |
| 257 | L | 79.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -73.3 | -40.4 | 174.2 | -177.6 | 58.1 | 0 | 0 | 0 | 111.6 | I239 L253 W254 C255 Y260 Y261 V273 | I239-L257 HydrophobicContact CB-CD1 4.21Å; I239-L257 HydrophobicContact CD1-CB 4.33Å; I239-L257 HydrophobicContact CD1-CD1 3.97Å; I239-L257 HydrophobicContact CG2-CB 4Å; I239-L257 HydrophobicContact CG2-CD2 4.41Å; L253-L257 PolarHBondContact O-N 3.08Å; W254-L257 HydrophobicContact CE3-CD2 4.08Å; W254-L257 HydrophobicContact CZ3-CD2 3.9Å; W254-L257 PolarHBondContact O-N 2.61Å; C255-L257 VanDerWaalsContact C-N 3.3Å; C255-L257 PolarHBondContact O-N 3.31Å; L257-Y260 PolarHBondContact O-N 3.25Å; L257-Y261 HydrophobicContact CD1-CD2 4.21Å; L257-Y261 HydrophobicContact CD1-CE2 3.64Å; L257-Y261 HydrophobicContact CG-CD2 4.32Å; L257-Y261 HydrophobicContact CG-CE2 4Å; L257-Y261 WeakPolarHBondContact O-CD2 3.44Å; L257-Y261 PolarHBondContact O-N 3.24Å; L257-V273 HydrophobicContact CB-CG1 4.15Å; L257-V273 HydrophobicContact CD2-CG1 3.96Å; L257-V273 HydrophobicContact CD2-CG2 4.11Å; L257-V273 HydrophobicContact CG-CG1 3.88Å; L257-V273 HydrophobicContact CG-CG2 4.18Å |
| 258 | A | 81.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.6 | -47.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | W254 C255 Y260 Y261 I262 V273 Y274 | W254-A258 PolarHBondContact O-N 2.68Å; C255-A258 PolarHBondContact O-N 3.04Å; A258-Y260 VanDerWaalsContact C-N 3.26Å; A258-Y260 PolarHBondContact O-N 3.01Å; A258-Y261 CarbonylContact O-C 3.59Å; A258-Y261 WeakPolarHBondContact O-CA 3.35Å; A258-Y261 PolarHBondContact O-N 3.08Å; A258-I262 VanDerWaalsContact O-CG1 3.28Å; A258-I262 WeakPolarHBondContact O-CG1 3.3Å; A258-I262 PolarHBondContact O-N 3.44Å; A258-V273 HydrophobicContact CB-CG1 4.08Å; A258-Y274 HydrophobicContact CB-CD1 4.13Å; A258-Y274 HydrophobicContact CB-CD2 4.19Å; A258-Y274 HydrophobicContact CB-CE1 3.55Å; A258-Y274 HydrophobicContact CB-CE2 3.65Å; A258-Y274 HydrophobicContact CB-CG 4.41Å |
| 259 | D | 80.8 | Confident | 78.7 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 33% | 0.326 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53.7 | -40.8 | 175.2 | -80.9 | -19.6 | 0 | 0 | 0 | 112.5 | C255 I262 R263 | C255-D259 WeakPolarHBondContact O-CB 3.32Å; C255-D259 PolarHBondContact O-N 2.95Å; D259-I262 PolarHBondContact O-N 3.19Å; D259-R263 WeakPolarHBondContact O-CB 3.27Å; D259-R263 WeakPolarHBondContact O-CG 3.31Å; D259-R263 PolarHBondContact O-N 3.21Å |
| 260 | Y | 79.8 | Confident | 79.4 | Confident | 36 Ų | 36 | 44.2 Ų | 44.2 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 174.2 | 173 | -92.7 | 0 | 0 | 0 | 111.9 | I223 P227 V235 S256 L257 A258 S264 | I223-Y260 HydrophobicContact CG2-CD2 3.83Å; I223-Y260 HydrophobicContact CG2-CE2 4.11Å; P227-Y260 HydrophobicContact CB-CD2 3.95Å; P227-Y260 HydrophobicContact CB-CE2 3.68Å; P227-Y260 HydrophobicContact CG-CD2 3.87Å; P227-Y260 HydrophobicContact CG-CE2 4.13Å; V235-Y260 HydrophobicContact CB-CD1 4.43Å; V235-Y260 HydrophobicContact CB-CD2 4.48Å; V235-Y260 HydrophobicContact CB-CE1 3.97Å; V235-Y260 HydrophobicContact CB-CE2 4Å; V235-Y260 HydrophobicContact CG1-CD1 3.75Å; V235-Y260 HydrophobicContact CG1-CD2 3.8Å; V235-Y260 HydrophobicContact CG1-CE1 3.81Å; V235-Y260 HydrophobicContact CG1-CE2 3.83Å; V235-Y260 HydrophobicContact CG1-CG 3.76Å; V235-Y260 HydrophobicContact CG2-CD2 4.41Å; V235-Y260 HydrophobicContact CG2-CE1 4.49Å; V235-Y260 HydrophobicContact CG2-CE2 3.69Å; S256-Y260 PolarHBondContact O-N 2.68Å; L257-Y260 PolarHBondContact O-N 3.25Å; A258-Y260 VanDerWaalsContact C-N 3.26Å; A258-Y260 PolarHBondContact O-N 3.01Å; Y260-S264 WeakPolarHBondContact O-CB 3.18Å; Y260-S264 PolarHBondContact O-N 3.36Å |
| 261 | Y | 80.7 | Confident | 80 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.1 | -35.3 | 177.6 | -74.1 | -61.3 | 0 | 0 | 0 | 113.2 | L257 A258 S264 G265 H266 K269 V273 | L257-Y261 HydrophobicContact CD1-CD2 4.21Å; L257-Y261 HydrophobicContact CD1-CE2 3.64Å; L257-Y261 HydrophobicContact CG-CD2 4.32Å; L257-Y261 HydrophobicContact CG-CE2 4Å; L257-Y261 WeakPolarHBondContact O-CD2 3.44Å; L257-Y261 PolarHBondContact O-N 3.24Å; A258-Y261 CarbonylContact O-C 3.59Å; A258-Y261 WeakPolarHBondContact O-CA 3.35Å; A258-Y261 PolarHBondContact O-N 3.08Å; Y261-S264 CarbonylContact O-C 3.27Å; Y261-S264 PolarHBondContact O-N 3.36Å; Y261-G265 PolarHBondContact O-N 2.96Å; Y261-H266 HydrophobicContact CD1-CB 4.22Å; Y261-H266 PolarHBondContact O-N 3.36Å; Y261-K269 HydrophobicContact CD1-CB 3.99Å; Y261-K269 HydrophobicContact CD1-CD 4.28Å; Y261-K269 HydrophobicContact CE1-CB 4.32Å; Y261-K269 HydrophobicContact CE1-CD 4.12Å; Y261-K269 HydrophobicContact CG-CB 4.1Å; Y261-V273 HydrophobicContact CD2-CG2 3.89Å; Y261-V273 HydrophobicContact CE2-CG2 3.81Å |
| 262 | I | 81.9 | Confident | 80.5 | Confident | 40 Ų | 40 | 49.5 Ų | 49.5 | 21% | 0.205 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.2 | -52.3 | 173.8 | -67.4 | 166.2 | 0 | 0 | 0 | 109.9 | A258 D259 S264 G265 F267 A270 Y274 F297 | A258-I262 VanDerWaalsContact O-CG1 3.28Å; A258-I262 WeakPolarHBondContact O-CG1 3.3Å; A258-I262 PolarHBondContact O-N 3.44Å; D259-I262 PolarHBondContact O-N 3.19Å; I262-S264 VanDerWaalsContact C-N 3.29Å; I262-S264 PolarHBondContact O-N 3.33Å; I262-G265 PolarHBondContact O-N 3.32Å; I262-F267 HydrophobicContact CG2-CE1 4.31Å; I262-A270 HydrophobicContact CG1-CB 3.72Å; I262-Y274 HydrophobicContact CD1-CE2 4.27Å; I262-F297 HydrophobicContact CD1-CD2 3.51Å; I262-F297 HydrophobicContact CD1-CE2 3.95Å; I262-F297 HydrophobicContact CD1-CG 4.11Å; I262-F297 HydrophobicContact CG1-CD2 3.81Å; I262-F297 HydrophobicContact CG1-CE2 3.68Å; I262-F297 HydrophobicContact CG1-CZ 4.45Å; I262-F297 HydrophobicContact CG2-CE2 4.4Å |
| 263 | R | 79.5 | Confident | 80.8 | Confident | 138 Ų | 138 | 46.1 Ų | 46.1 | 52% | 0.521 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.1 | -27.2 | 178.5 | -67.7 | -177.3 | -161.7 | -144.7 | 2 | 113.4 | S224 P227 D259 G265 | S224-R263 VanDerWaalsContact O-CD 3.25Å; S224-R263 WeakPolarHBondContact O-CD 3.45Å; P227-R263 HydrophobicContact CG-CB 3.81Å; D259-R263 WeakPolarHBondContact O-CB 3.27Å; D259-R263 WeakPolarHBondContact O-CG 3.31Å; D259-R263 PolarHBondContact O-N 3.21Å; R263-G265 PolarHBondContact O-N 2.96Å |
| 264 | S | 77.7 | Confident | 81.1 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 29% | 0.287 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 4.6 | 170.9 | -169.5 | 0 | 0 | 0 | 0 | 113.4 | Y260 Y261 I262 H266 | Y260-S264 WeakPolarHBondContact O-CB 3.18Å; Y260-S264 PolarHBondContact O-N 3.36Å; Y261-S264 CarbonylContact O-C 3.27Å; Y261-S264 PolarHBondContact O-N 3.36Å; I262-S264 VanDerWaalsContact C-N 3.29Å; I262-S264 PolarHBondContact O-N 3.33Å; S264-H266 PolarHBondContact O-N 2.92Å; S264-H266 PolarHBondContact O-ND1 2.95Å; S264-H266 PolarHBondContact OG-ND1 2.73Å |
| 265 | G | 77.6 | Confident | 81 | Confident | 44 Ų | 44 | 49 Ų | 49 | 45% | 0.454 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 9.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y261 I262 R263 F267 | Y261-G265 PolarHBondContact O-N 2.96Å; I262-G265 PolarHBondContact O-N 3.32Å; R263-G265 PolarHBondContact O-N 2.96Å; G265-F267 PolarHBondContact O-N 3.22Å |
| 266 | H | 82.9 | Confident | 81.1 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | trans | -97.6 | 63.1 | -175.1 | -77.6 | 86.6 | 0 | 0 | 0 | 111.4 | Y261 S264 E268 K269 A270 | Y261-H266 HydrophobicContact CD1-CB 4.22Å; Y261-H266 PolarHBondContact O-N 3.36Å; S264-H266 PolarHBondContact O-N 2.92Å; S264-H266 PolarHBondContact O-ND1 2.95Å; S264-H266 PolarHBondContact OG-ND1 2.73Å; H266-E268 VanDerWaalsContact C-N 3.33Å; H266-E268 PolarHBondContact O-N 2.63Å; H266-K269 HydrophobicContact CB-CB 4.31Å; H266-K269 HydrophobicContact CB-CD 4.17Å; H266-K269 HydrophobicContact CB-CG 4.46Å; H266-K269 PolarHBondContact CD2-NZ 2.96Å; H266-K269 VanDerWaalsContact CD2-NZ 3.29Å; H266-K269 PolarHBondContact NE2-NZ 2.67Å; H266-K269 PolarHBondContact O-N 3.08Å; H266-K269 VanDerWaalsContact O-N 3.09Å; H266-A270 PolarHBondContact O-N 3.39Å; H266-A270 VanDerWaalsContact O-N 3.14Å | ||
| 267 | F | 80.1 | Confident | 81.4 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 33% | 0.325 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.7 | -37 | -171.9 | -57.4 | -59.7 | 0 | 0 | 0 | 114.7 | I262 G265 A270 R271 F297 M301 | I262-F267 HydrophobicContact CG2-CE1 4.31Å; G265-F267 PolarHBondContact O-N 3.22Å; F267-A270 WeakPolarHBondContact O-CB 3.31Å; F267-A270 PolarHBondContact O-N 3.16Å; F267-R271 PolarHBondContact O-N 2.93Å; F267-R271 VanDerWaalsContact O-N 3.09Å; F267-F297 HydrophobicContact CB-CZ 4.12Å; F267-F297 AromaticContact CD1-CE2 3.83Å; F267-F297 HydrophobicContact CD1-CE2 3.83Å; F267-F297 AromaticContact CD1-CZ 3.95Å; F267-F297 HydrophobicContact CD1-CZ 3.95Å; F267-F297 HydrophobicContact CE1-CE2 4.49Å; F267-F297 HydrophobicContact CG-CZ 4.46Å; F267-M301 HydrophobicContact CD1-SD 4.24Å; F267-M301 HydrophobicContact CD2-CE 3.85Å; F267-M301 HydrophobicContact CD2-SD 4.4Å; F267-M301 HydrophobicContact CE1-SD 4.34Å; F267-M301 HydrophobicContact CE2-CE 4.06Å; F267-M301 HydrophobicContact CE2-SD 4.5Å; F267-M301 HydrophobicContact CG-CE 4.2Å; F267-M301 HydrophobicContact CG-SD 4.27Å; F267-M301 HydrophobicContact CZ-SD 4.47Å |
| 268 | E | 80.2 | Confident | 81.5 | Confident | 148 Ų | 148 | 51.2 Ų | 51.2 | 69% | 0.692 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -65.1 | -40.7 | 176.9 | -61.7 | -173.8 | 146.1 | 0 | 0 | 112 | H266 A270 R271 D272 | H266-E268 VanDerWaalsContact C-N 3.33Å; H266-E268 PolarHBondContact O-N 2.63Å; E268-A270 VanDerWaalsContact C-N 3.29Å; E268-A270 PolarHBondContact O-N 3.06Å; E268-R271 WeakPolarHBondContact O-CB 3.28Å; E268-R271 PolarHBondContact O-N 3.09Å; E268-R271 VanDerWaalsContact O-N 3.16Å; E268-D272 PolarHBondContact O-N 3.27Å |
| 269 | K | 81.7 | Confident | 81.3 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.1 | -30.3 | 176 | -62.8 | 178.8 | -173.8 | 163.4 | 0 | 111.9 | Y261 H266 V273 | Y261-K269 HydrophobicContact CD1-CB 3.99Å; Y261-K269 HydrophobicContact CD1-CD 4.28Å; Y261-K269 HydrophobicContact CE1-CB 4.32Å; Y261-K269 HydrophobicContact CE1-CD 4.12Å; Y261-K269 HydrophobicContact CG-CB 4.1Å; H266-K269 HydrophobicContact CB-CB 4.31Å; H266-K269 HydrophobicContact CB-CD 4.17Å; H266-K269 HydrophobicContact CB-CG 4.46Å; H266-K269 PolarHBondContact CD2-NZ 2.96Å; H266-K269 VanDerWaalsContact CD2-NZ 3.29Å; H266-K269 PolarHBondContact NE2-NZ 2.67Å; H266-K269 PolarHBondContact O-N 3.08Å; H266-K269 VanDerWaalsContact O-N 3.09Å; K269-V273 WeakPolarHBondContact O-CB 3.44Å; K269-V273 WeakPolarHBondContact O-CG2 3.46Å; K269-V273 PolarHBondContact O-N 3.13Å |
| 270 | A | 83.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I262 H266 F267 E268 V273 Y274 | I262-A270 HydrophobicContact CG1-CB 3.72Å; H266-A270 PolarHBondContact O-N 3.39Å; H266-A270 VanDerWaalsContact O-N 3.14Å; F267-A270 WeakPolarHBondContact O-CB 3.31Å; F267-A270 PolarHBondContact O-N 3.16Å; E268-A270 VanDerWaalsContact C-N 3.29Å; E268-A270 PolarHBondContact O-N 3.06Å; A270-V273 PolarHBondContact O-N 2.77Å; A270-Y274 VanDerWaalsContact O-CD2 3.23Å; A270-Y274 WeakPolarHBondContact O-CD2 3.27Å; A270-Y274 PolarHBondContact O-N 3.14Å |
| 271 | R | 83 | Confident | 81 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.5 | -48.9 | 172.2 | -67.3 | 174.4 | 167.4 | 163.9 | -3 | 112.1 | F267 E268 V273 Y274 E275 Y294 F297 E298 | F267-R271 PolarHBondContact O-N 2.93Å; F267-R271 VanDerWaalsContact O-N 3.09Å; E268-R271 WeakPolarHBondContact O-CB 3.28Å; E268-R271 PolarHBondContact O-N 3.09Å; E268-R271 VanDerWaalsContact O-N 3.16Å; R271-V273 PolarHBondContact O-N 3.43Å; R271-Y274 PolarHBondContact O-N 3.28Å; R271-E275 WeakPolarHBondContact O-CG 3.48Å; R271-E275 PolarHBondContact O-N 2.91Å; R271-Y294 HydrophobicContact CG-CE2 4.29Å; R271-F297 HydrophobicContact CG-CE1 3.87Å; R271-E298 IonicContact CZ-OE1 3.96Å; R271-E298 IonicContact CZ-OE2 3.91Å; R271-E298 IonicContact NE-OE1 2.8Å; R271-E298 PolarHBondContact NE-OE1 2.98Å; R271-E298 IonicContact NE-OE2 3.2Å; R271-E298 VanDerWaalsContact NH2-CD 3.33Å; R271-E298 IonicContact NH2-OE1 3.88Å; R271-E298 PolarHBondContact NH2-OE1 3.35Å; R271-E298 IonicContact NH2-OE2 2.63Å; R271-E298 PolarHBondContact NH2-OE2 3.29Å |
| 272 | D | 84.7 | Confident | 80.6 | Confident | 108 Ų | 108 | 55.8 Ų | 55.8 | 58% | 0.578 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -55.1 | -40.5 | 176.4 | -67.6 | -23.6 | 0 | 0 | 0 | 111.3 | E268 E276 | E268-D272 PolarHBondContact O-N 3.27Å; D272-E276 VanDerWaalsContact O-CB 3.25Å; D272-E276 WeakPolarHBondContact O-CB 3.21Å; D272-E276 PolarHBondContact O-N 2.95Å |
| 273 | V | 84.1 | Confident | 80.4 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 175.8 | 164.4 | 0 | 0 | 0 | 0 | 112.3 | W254 L257 A258 Y261 K269 A270 R271 A277 | W254-V273 HydrophobicContact CE3-CG1 3.78Å; W254-V273 HydrophobicContact CZ3-CG1 4.03Å; L257-V273 HydrophobicContact CB-CG1 4.15Å; L257-V273 HydrophobicContact CD2-CG1 3.96Å; L257-V273 HydrophobicContact CD2-CG2 4.11Å; L257-V273 HydrophobicContact CG-CG1 3.88Å; L257-V273 HydrophobicContact CG-CG2 4.18Å; A258-V273 HydrophobicContact CB-CG1 4.08Å; Y261-V273 HydrophobicContact CD2-CG2 3.89Å; Y261-V273 HydrophobicContact CE2-CG2 3.81Å; K269-V273 WeakPolarHBondContact O-CB 3.44Å; K269-V273 WeakPolarHBondContact O-CG2 3.46Å; K269-V273 PolarHBondContact O-N 3.13Å; A270-V273 PolarHBondContact O-N 2.77Å; R271-V273 PolarHBondContact O-N 3.43Å; V273-A277 VanDerWaalsContact O-CB 3.24Å; V273-A277 WeakPolarHBondContact O-CB 3.4Å; V273-A277 PolarHBondContact O-N 3.1Å |
| 274 | Y | 84.6 | Confident | 80.3 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.02 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 174.9 | -77.4 | -53 | 0 | 0 | 0 | 112.8 | A258 I262 A270 R271 A277 I278 V290 S293 Y294 F297 | A258-Y274 HydrophobicContact CB-CD1 4.13Å; A258-Y274 HydrophobicContact CB-CD2 4.19Å; A258-Y274 HydrophobicContact CB-CE1 3.55Å; A258-Y274 HydrophobicContact CB-CE2 3.65Å; A258-Y274 HydrophobicContact CB-CG 4.41Å; I262-Y274 HydrophobicContact CD1-CE2 4.27Å; A270-Y274 VanDerWaalsContact O-CD2 3.23Å; A270-Y274 WeakPolarHBondContact O-CD2 3.27Å; A270-Y274 PolarHBondContact O-N 3.14Å; R271-Y274 PolarHBondContact O-N 3.28Å; Y274-A277 WeakPolarHBondContact O-CB 3.4Å; Y274-A277 PolarHBondContact O-N 3.26Å; Y274-I278 WeakPolarHBondContact O-CB 2.94Å; Y274-I278 WeakPolarHBondContact O-CG1 3.36Å; Y274-I278 PolarHBondContact O-N 3.34Å; Y274-V290 HydrophobicContact CD1-CG1 4.08Å; Y274-S293 WeakPolarHBondContact CE1-OG 3.15Å; Y274-Y294 HydrophobicContact CD1-CG 4.43Å; Y274-Y294 AromaticContact CD2-CD2 3.49Å; Y274-Y294 HydrophobicContact CD2-CD2 3.49Å; Y274-Y294 VanDerWaalsContact CD2-CD2 3.49Å; Y274-Y294 HydrophobicContact CD2-CE2 4.2Å; Y274-Y294 AromaticContact CD2-CG 3.99Å; Y274-Y294 HydrophobicContact CD2-CG 3.99Å; Y274-Y294 HydrophobicContact CE2-CD2 4.24Å; Y274-Y294 AromaticContact CG-CD2 3.77Å; Y274-Y294 HydrophobicContact CG-CD2 3.77Å; Y274-Y294 AromaticContact CG-CG 3.82Å; Y274-Y294 HydrophobicContact CG-CG 3.82Å; Y274-F297 HydrophobicContact CD2-CD1 4.3Å; Y274-F297 HydrophobicContact CE2-CB 3.98Å; Y274-F297 HydrophobicContact CE2-CD1 4.06Å; Y274-F297 HydrophobicContact CE2-CG 4.03Å |
| 275 | E | 80.6 | Confident | 80.4 | Confident | 68 Ų | 68 | 59.4 Ų | 59.4 | 32% | 0.318 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.6 | -41.6 | 173.7 | -64.8 | -69.6 | 162 | 0 | 0 | 111.3 | R271 A277 I278 L279 Y294 | R271-E275 WeakPolarHBondContact O-CG 3.48Å; R271-E275 PolarHBondContact O-N 2.91Å; E275-A277 VanDerWaalsContact C-N 3.3Å; E275-A277 PolarHBondContact O-N 3.11Å; E275-I278 PolarHBondContact O-N 3.45Å; E275-L279 WeakPolarHBondContact O-CB 3.38Å; E275-L279 VanDerWaalsContact O-CG 3.29Å; E275-L279 WeakPolarHBondContact O-CG 3.37Å; E275-L279 PolarHBondContact O-N 3.04Å; E275-Y294 WeakPolarHBondContact OE1-CE1 3.43Å; E275-Y294 PolarHBondContact OE1-OH 3.2Å |
| 276 | E | 83.6 | Confident | 80.6 | Confident | 65 Ų | 65 | 57.7 Ų | 57.7 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 172 | -167.1 | -177 | 175.1 | 0 | 0 | 110.9 | R240 W254 D272 L279 T280 | R240-E276 IonicContact CZ-OE2 3.36Å; R240-E276 IonicContact NE-OE1 2.66Å; R240-E276 IonicContact NE-OE2 2.81Å; R240-E276 IonicContact NH2-OE1 3.31Å; R240-E276 IonicContact NH2-OE2 2.67Å; R240-E276 PolarHBondContact NH2-OE2 2.68Å; W254-E276 HydrophobicContact CH2-CB 4.08Å; W254-E276 HydrophobicContact CH2-CG 3.61Å; W254-E276 HydrophobicContact CZ2-CG 4.32Å; W254-E276 HydrophobicContact CZ3-CB 4.29Å; W254-E276 HydrophobicContact CZ3-CG 4.26Å; D272-E276 VanDerWaalsContact O-CB 3.25Å; D272-E276 WeakPolarHBondContact O-CB 3.21Å; D272-E276 PolarHBondContact O-N 2.95Å; E276-L279 PolarHBondContact O-N 3.43Å; E276-T280 WeakPolarHBondContact O-CB 3.26Å; E276-T280 VanDerWaalsContact O-CG2 3.24Å; E276-T280 WeakPolarHBondContact O-CG2 3.43Å; E276-T280 PolarHBondContact O-N 2.92Å; E276-T280 PolarHBondContact O-OG1 3.29Å |
| 277 | A | 82.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -50.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W254 V273 Y274 E275 L279 T280 V281 V290 | W254-A277 HydrophobicContact CB-CB 3.73Å; W254-A277 HydrophobicContact CD2-CB 3.46Å; W254-A277 VanDerWaalsContact CD2-CB 3.46Å; W254-A277 HydrophobicContact CE3-CB 3.87Å; W254-A277 HydrophobicContact CG-CB 3.4Å; W254-A277 VanDerWaalsContact CG-CB 3.4Å; V273-A277 VanDerWaalsContact O-CB 3.24Å; V273-A277 WeakPolarHBondContact O-CB 3.4Å; V273-A277 PolarHBondContact O-N 3.1Å; Y274-A277 WeakPolarHBondContact O-CB 3.4Å; Y274-A277 PolarHBondContact O-N 3.26Å; E275-A277 VanDerWaalsContact C-N 3.3Å; E275-A277 PolarHBondContact O-N 3.11Å; A277-L279 PolarHBondContact O-N 3.2Å; A277-T280 PolarHBondContact O-N 3.07Å; A277-T280 VanDerWaalsContact O-N 3.08Å; A277-T280 PolarHBondContact O-OG1 2.86Å; A277-V281 WeakPolarHBondContact O-CB 3.41Å; A277-V281 WeakPolarHBondContact O-CG2 3.35Å; A277-V281 PolarHBondContact O-N 3.27Å; A277-V290 HydrophobicContact CB-CG1 3.6Å; A277-V290 HydrophobicContact CB-CG2 4.33Å |
| 278 | I | 80.4 | Confident | 80.7 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.9 | -36 | 176.9 | -75.3 | 168.2 | 0 | 0 | 0 | 111.6 | Y274 E275 F287 V290 F291 Y294 L343 | Y274-I278 WeakPolarHBondContact O-CB 2.94Å; Y274-I278 WeakPolarHBondContact O-CG1 3.36Å; Y274-I278 PolarHBondContact O-N 3.34Å; E275-I278 PolarHBondContact O-N 3.45Å; I278-F287 HydrophobicContact CG1-CD2 4.5Å; I278-F287 HydrophobicContact CG1-CE2 4.21Å; I278-F287 HydrophobicContact CG2-CE2 4.16Å; I278-V290 HydrophobicContact CG1-CG1 4.15Å; I278-F291 HydrophobicContact CD1-CD2 4.4Å; I278-Y294 HydrophobicContact CD1-CD1 3.72Å; I278-Y294 HydrophobicContact CD1-CE1 4.07Å; I278-L343 HydrophobicContact CG2-CD1 4.07Å; I278-L343 HydrophobicContact CG2-CD2 3.76Å; I278-L343 HydrophobicContact CG2-CG 4.37Å |
| 279 | L | 77.9 | Confident | 80.9 | Confident | 98 Ų | 98 | 49 Ų | 49 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -79.6 | -17.8 | 177.9 | -70.8 | 174 | 0 | 0 | 0 | 114.7 | E275 E276 A277 R350 | E275-L279 WeakPolarHBondContact O-CB 3.38Å; E275-L279 VanDerWaalsContact O-CG 3.29Å; E275-L279 WeakPolarHBondContact O-CG 3.37Å; E275-L279 PolarHBondContact O-N 3.04Å; E276-L279 PolarHBondContact O-N 3.43Å; A277-L279 PolarHBondContact O-N 3.2Å; L279-R350 PolarHBondContact O-NH1 3.37Å; L279-R350 PolarHBondContact O-NH2 3.46Å; L279-R350 VanDerWaalsContact O-NH2 3.1Å |
| 280 | T | 76.4 | Confident | 81.1 | Confident | 61 Ų | 61 | 44.4 Ų | 44.4 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -106.9 | -26.1 | -177.4 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | W254 E276 A277 V282 | W254-T280 HydrophobicContact CZ2-CG2 4.39Å; W254-T280 VanDerWaalsContact CZ2-OG1 3.26Å; W254-T280 WeakPolarHBondContact CZ2-OG1 3.38Å; W254-T280 PolarHBondContact NE1-OG1 3.08Å; E276-T280 WeakPolarHBondContact O-CB 3.26Å; E276-T280 VanDerWaalsContact O-CG2 3.24Å; E276-T280 WeakPolarHBondContact O-CG2 3.43Å; E276-T280 PolarHBondContact O-N 2.92Å; E276-T280 PolarHBondContact O-OG1 3.29Å; A277-T280 PolarHBondContact O-N 3.07Å; A277-T280 VanDerWaalsContact O-N 3.08Å; A277-T280 PolarHBondContact O-OG1 2.86Å; T280-V282 PolarHBondContact O-N 3.18Å |
| 281 | V | 77.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -66 | 128.8 | -176.4 | 165.5 | 0 | 0 | 0 | 0 | 112 | A277 T283 D286 F287 V290 | A277-V281 WeakPolarHBondContact O-CB 3.41Å; A277-V281 WeakPolarHBondContact O-CG2 3.35Å; A277-V281 PolarHBondContact O-N 3.27Å; V281-T283 VanDerWaalsContact CG1-O 3.23Å; V281-T283 WeakPolarHBondContact CG1-O 3.33Å; V281-D286 HydrophobicContact CG1-CB 3.57Å; V281-D286 HydrophobicContact CG2-CB 4.28Å; V281-F287 HydrophobicContact CG1-CB 3.9Å; V281-V290 HydrophobicContact CG2-CG2 4.47Å | ||
| 282 | V | 73.1 | Confident | 81.3 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 44% | 0.436 | 24% | 0.235 | S | C | . | . | trans | -96 | -35.3 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 111.8 | T280 V347 Q351 | T280-V282 PolarHBondContact O-N 3.18Å; V282-V347 VanDerWaalsContact O-CG1 3.29Å; V282-V347 WeakPolarHBondContact O-CG1 3.17Å; V282-Q351 HydrophobicContact CG1-CG 3.93Å; V282-Q351 WeakPolarHBondContact O-CG 3.5Å; V282-Q351 PolarHBondContact O-NE2 3.43Å | ||
| 283 | T | 77.5 | Confident | 81.2 | Confident | 50 Ų | 50 | 42.2 Ų | 42.2 | 31% | 0.307 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -86.2 | 142.7 | -175.5 | 94.9 | 0 | 0 | 0 | 0 | 112.4 | V281 R285 D286 F287 | V281-T283 VanDerWaalsContact CG1-O 3.23Å; V281-T283 WeakPolarHBondContact CG1-O 3.33Å; T283-R285 VanDerWaalsContact C-N 3.26Å; T283-R285 PolarHBondContact O-N 3.28Å; T283-D286 WeakPolarHBondContact CB-OD2 3.4Å; T283-D286 VanDerWaalsContact CG2-OD2 3.31Å; T283-D286 WeakPolarHBondContact CG2-OD2 3.39Å; T283-D286 PolarHBondContact O-N 3.43Å; T283-D286 VanDerWaalsContact OG1-CB 3.31Å; T283-D286 WeakPolarHBondContact OG1-CB 3.36Å; T283-D286 PolarHBondContact OG1-N 2.89Å; T283-D286 PolarHBondContact OG1-OD2 3.01Å; T283-F287 WeakPolarHBondContact O-CB 3.35Å; T283-F287 PolarHBondContact O-N 3.07Å |
| 284 | V | 77.1 | Confident | 81.2 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 28% | 0.279 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.6 | -34.8 | 176.3 | 167.1 | 0 | 0 | 0 | 0 | 111 | F287 T288 L344 V347 L348 Q351 | V284-F287 PolarHBondContact O-N 3.18Å; V284-T288 HydrophobicContact CG1-CG2 4.5Å; V284-T288 PolarHBondContact O-N 3.2Å; V284-T288 PolarHBondContact O-OG1 2.83Å; V284-T288 VanDerWaalsContact O-OG1 3.09Å; V284-L344 HydrophobicContact CG1-CD1 3.88Å; V284-L344 HydrophobicContact CG2-CD1 4.03Å; V284-V347 HydrophobicContact CG2-CG1 4.33Å; V284-L348 HydrophobicContact CG2-CD2 3.6Å; V284-L348 HydrophobicContact CG2-CG 4.11Å; V284-Q351 VanDerWaalsContact N-NE2 3.15Å |
| 285 | R | 80.8 | Confident | 81.2 | Confident | 200 Ų | 200 | 43.3 Ų | 43.3 | 76% | 0.755 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.2 | -46.8 | -179.7 | -175.6 | -179.1 | -176.5 | 172.4 | 4.2 | 111.9 | T283 F287 T288 Q289 | T283-R285 VanDerWaalsContact C-N 3.26Å; T283-R285 PolarHBondContact O-N 3.28Å; R285-F287 VanDerWaalsContact C-N 3.27Å; R285-F287 PolarHBondContact O-N 3.36Å; R285-T288 WeakPolarHBondContact CA-OG1 3.46Å; R285-T288 PolarHBondContact O-N 3.19Å; R285-T288 PolarHBondContact O-OG1 2.94Å; R285-Q289 PolarHBondContact O-N 3.03Å |
| 286 | D | 80.8 | Confident | 81.4 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 174.4 | -66.7 | -53.2 | 0 | 0 | 0 | 110.1 | Q249 L250 G251 V281 T283 Q289 V290 | Q249-D286 WeakPolarHBondContact CA-OD1 3.33Å; L250-D286 PolarHBondContact N-OD1 3.1Å; G251-D286 WeakPolarHBondContact CA-OD1 3.36Å; G251-D286 PolarHBondContact N-OD1 3.3Å; V281-D286 HydrophobicContact CG1-CB 3.57Å; V281-D286 HydrophobicContact CG2-CB 4.28Å; T283-D286 WeakPolarHBondContact CB-OD2 3.4Å; T283-D286 VanDerWaalsContact CG2-OD2 3.31Å; T283-D286 WeakPolarHBondContact CG2-OD2 3.39Å; T283-D286 PolarHBondContact O-N 3.43Å; T283-D286 VanDerWaalsContact OG1-CB 3.31Å; T283-D286 WeakPolarHBondContact OG1-CB 3.36Å; T283-D286 PolarHBondContact OG1-N 2.89Å; T283-D286 PolarHBondContact OG1-OD2 3.01Å; D286-Q289 PolarHBondContact O-N 3.21Å; D286-V290 WeakPolarHBondContact O-CB 3.4Å; D286-V290 VanDerWaalsContact O-CG2 3.29Å; D286-V290 WeakPolarHBondContact O-CG2 3.31Å; D286-V290 PolarHBondContact O-N 3.45Å |
| 287 | F | 81.4 | Confident | 81.4 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.6 | -45.5 | 177.8 | 171 | -99.6 | 0 | 0 | 0 | 111.5 | I278 V281 T283 V284 R285 Q289 V290 F291 L343 L344 V347 | I278-F287 HydrophobicContact CG1-CD2 4.5Å; I278-F287 HydrophobicContact CG1-CE2 4.21Å; I278-F287 HydrophobicContact CG2-CE2 4.16Å; V281-F287 HydrophobicContact CG1-CB 3.9Å; T283-F287 WeakPolarHBondContact O-CB 3.35Å; T283-F287 PolarHBondContact O-N 3.07Å; V284-F287 PolarHBondContact O-N 3.18Å; R285-F287 VanDerWaalsContact C-N 3.27Å; R285-F287 PolarHBondContact O-N 3.36Å; F287-Q289 VanDerWaalsContact C-N 3.35Å; F287-Q289 PolarHBondContact O-N 2.87Å; F287-V290 PolarHBondContact O-N 2.92Å; F287-F291 HydrophobicContact CE1-CB 4.44Å; F287-F291 HydrophobicContact CE2-CB 4.39Å; F287-F291 HydrophobicContact CE2-CD2 4.27Å; F287-F291 HydrophobicContact CZ-CB 4.22Å; F287-F291 AromaticContact CZ-CD2 3.87Å; F287-F291 HydrophobicContact CZ-CD2 3.87Å; F287-F291 HydrophobicContact CZ-CG 4.24Å; F287-F291 WeakPolarHBondContact O-CB 3.49Å; F287-F291 PolarHBondContact O-N 3.06Å; F287-L343 HydrophobicContact CE2-CB 3.81Å; F287-L343 HydrophobicContact CZ-CB 3.6Å; F287-L344 HydrophobicContact CD1-CB 4.49Å; F287-L344 HydrophobicContact CD1-CD1 3.97Å; F287-L344 HydrophobicContact CE1-CB 3.88Å; F287-L344 HydrophobicContact CE1-CD1 4.16Å; F287-V347 HydrophobicContact CB-CG1 4.21Å; F287-V347 HydrophobicContact CB-CG2 4.12Å; F287-V347 HydrophobicContact CD2-CG2 3.77Å; F287-V347 HydrophobicContact CE2-CG2 4.4Å; F287-V347 HydrophobicContact CG-CG2 3.89Å |
| 288 | T | 83.5 | Confident | 81.2 | Confident | 49 Ų | 49 | 43.8 Ų | 43.8 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.9 | 45 | 0 | 0 | 0 | 0 | 111.5 | V284 R285 F291 D292 | V284-T288 HydrophobicContact CG1-CG2 4.5Å; V284-T288 PolarHBondContact O-N 3.2Å; V284-T288 PolarHBondContact O-OG1 2.83Å; V284-T288 VanDerWaalsContact O-OG1 3.09Å; R285-T288 WeakPolarHBondContact CA-OG1 3.46Å; R285-T288 PolarHBondContact O-N 3.19Å; R285-T288 PolarHBondContact O-OG1 2.94Å; T288-F291 PolarHBondContact O-N 3.25Å; T288-D292 VanDerWaalsContact O-CB 3.26Å; T288-D292 WeakPolarHBondContact O-CB 3.44Å; T288-D292 PolarHBondContact O-N 3.45Å |
| 289 | Q | 84.6 | Confident | 81.4 | Confident | 70 Ų | 70 | 48.6 Ų | 48.6 | 33% | 0.327 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -47.6 | 179.5 | -175.6 | 178.6 | -14.4 | 0 | 0 | 111.9 | R285 D286 F287 S293 | R285-Q289 PolarHBondContact O-N 3.03Å; D286-Q289 PolarHBondContact O-N 3.21Å; F287-Q289 VanDerWaalsContact C-N 3.35Å; F287-Q289 PolarHBondContact O-N 2.87Å; Q289-S293 WeakPolarHBondContact O-CB 3.34Å; Q289-S293 PolarHBondContact O-N 2.9Å; Q289-S293 PolarHBondContact O-OG 3.47Å; Q289-S293 VanDerWaalsContact O-OG 3.11Å |
| 290 | V | 85.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -47.6 | 177.4 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | W254 Y274 A277 I278 V281 D286 F287 S293 Y294 | W254-V290 HydrophobicContact CB-CG2 4.02Å; Y274-V290 HydrophobicContact CD1-CG1 4.08Å; A277-V290 HydrophobicContact CB-CG1 3.6Å; A277-V290 HydrophobicContact CB-CG2 4.33Å; I278-V290 HydrophobicContact CG1-CG1 4.15Å; V281-V290 HydrophobicContact CG2-CG2 4.47Å; D286-V290 WeakPolarHBondContact O-CB 3.4Å; D286-V290 VanDerWaalsContact O-CG2 3.29Å; D286-V290 WeakPolarHBondContact O-CG2 3.31Å; D286-V290 PolarHBondContact O-N 3.45Å; F287-V290 PolarHBondContact O-N 2.92Å; V290-S293 WeakPolarHBondContact CA-OG 3.48Å; V290-S293 PolarHBondContact O-N 3.05Å; V290-S293 PolarHBondContact O-OG 3.27Å; V290-Y294 WeakPolarHBondContact O-CB 3.02Å; V290-Y294 PolarHBondContact O-N 3.25Å |
| 291 | F | 84.6 | Confident | 81.7 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | -179.2 | -174.1 | -82.6 | 0 | 0 | 0 | 112.1 | I278 F287 T288 S293 Y294 A295 L336 R340 L343 | I278-F291 HydrophobicContact CD1-CD2 4.4Å; F287-F291 HydrophobicContact CE1-CB 4.44Å; F287-F291 HydrophobicContact CE2-CB 4.39Å; F287-F291 HydrophobicContact CE2-CD2 4.27Å; F287-F291 HydrophobicContact CZ-CB 4.22Å; F287-F291 AromaticContact CZ-CD2 3.87Å; F287-F291 HydrophobicContact CZ-CD2 3.87Å; F287-F291 HydrophobicContact CZ-CG 4.24Å; F287-F291 WeakPolarHBondContact O-CB 3.49Å; F287-F291 PolarHBondContact O-N 3.06Å; T288-F291 PolarHBondContact O-N 3.25Å; F291-S293 VanDerWaalsContact C-N 3.32Å; F291-S293 PolarHBondContact O-N 3.02Å; F291-Y294 PolarHBondContact O-N 3.01Å; F291-A295 HydrophobicContact CE1-CB 4.48Å; F291-A295 WeakPolarHBondContact O-CB 3.33Å; F291-A295 PolarHBondContact O-N 3.44Å; F291-L336 HydrophobicContact CD2-CD1 4.49Å; F291-L336 HydrophobicContact CE2-CD1 3.78Å; F291-L336 HydrophobicContact CE2-CG 3.87Å; F291-L336 HydrophobicContact CZ-CD1 4.47Å; F291-L336 HydrophobicContact CZ-CG 4.06Å; F291-R340 HydrophobicContact CD1-CG 4.24Å; F291-R340 HydrophobicContact CE1-CB 4.2Å; F291-R340 HydrophobicContact CE1-CG 3.76Å; F291-R340 HydrophobicContact CE2-CB 4.01Å; F291-R340 HydrophobicContact CE2-CG 4.06Å; F291-R340 HydrophobicContact CZ-CB 3.63Å; F291-R340 HydrophobicContact CZ-CG 3.66Å; F291-L343 HydrophobicContact CE2-CD1 4.4Å |
| 292 | D | 85.8 | Confident | 81.9 | Confident | 60 Ų | 60 | 46.3 Ų | 46.3 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.2 | -35.1 | 179 | -63.5 | -27.3 | 0 | 0 | 0 | 110.5 | T288 Q296 R340 | T288-D292 VanDerWaalsContact O-CB 3.26Å; T288-D292 WeakPolarHBondContact O-CB 3.44Å; T288-D292 PolarHBondContact O-N 3.45Å; D292-Q296 WeakPolarHBondContact O-CB 3.39Å; D292-Q296 VanDerWaalsContact O-CG 3.24Å; D292-Q296 WeakPolarHBondContact O-CG 3.24Å; D292-Q296 PolarHBondContact O-N 3.38Å; D292-R340 IonicContact OD1-CZ 3.92Å; D292-R340 IonicContact OD1-NH1 3.32Å; D292-R340 IonicContact OD1-NH2 3.85Å; D292-R340 PolarHBondContact OD1-NH2 3.48Å; D292-R340 IonicContact OD2-NH2 3.71Å |
| 293 | S | 83.1 | Confident | 82.4 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 15% | 0.154 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.4 | -34.3 | 172.1 | 67.4 | 0 | 0 | 0 | 0 | 113.8 | C255 Y274 Q289 V290 F291 F297 | C255-S293 PolarHBondContact SG-OG 3.23Å; Y274-S293 WeakPolarHBondContact CE1-OG 3.15Å; Q289-S293 WeakPolarHBondContact O-CB 3.34Å; Q289-S293 PolarHBondContact O-N 2.9Å; Q289-S293 PolarHBondContact O-OG 3.47Å; Q289-S293 VanDerWaalsContact O-OG 3.11Å; V290-S293 WeakPolarHBondContact CA-OG 3.48Å; V290-S293 PolarHBondContact O-N 3.05Å; V290-S293 PolarHBondContact O-OG 3.27Å; F291-S293 VanDerWaalsContact C-N 3.32Å; F291-S293 PolarHBondContact O-N 3.02Å; S293-F297 VanDerWaalsContact O-CB 3.31Å; S293-F297 WeakPolarHBondContact O-CB 3.43Å; S293-F297 PolarHBondContact O-N 3.08Å |
| 294 | Y | 84.2 | Confident | 82.5 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 7% | 0.071 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.7 | -39.6 | 175 | -178.1 | -153.3 | 0 | 0 | 0 | 111.5 | R271 Y274 E275 I278 V290 F291 F297 E298 L336 | R271-Y294 HydrophobicContact CG-CE2 4.29Å; Y274-Y294 HydrophobicContact CD1-CG 4.43Å; Y274-Y294 AromaticContact CD2-CD2 3.49Å; Y274-Y294 HydrophobicContact CD2-CD2 3.49Å; Y274-Y294 VanDerWaalsContact CD2-CD2 3.49Å; Y274-Y294 HydrophobicContact CD2-CE2 4.2Å; Y274-Y294 AromaticContact CD2-CG 3.99Å; Y274-Y294 HydrophobicContact CD2-CG 3.99Å; Y274-Y294 HydrophobicContact CE2-CD2 4.24Å; Y274-Y294 AromaticContact CG-CD2 3.77Å; Y274-Y294 HydrophobicContact CG-CD2 3.77Å; Y274-Y294 AromaticContact CG-CG 3.82Å; Y274-Y294 HydrophobicContact CG-CG 3.82Å; E275-Y294 WeakPolarHBondContact OE1-CE1 3.43Å; E275-Y294 PolarHBondContact OE1-OH 3.2Å; I278-Y294 HydrophobicContact CD1-CD1 3.72Å; I278-Y294 HydrophobicContact CD1-CE1 4.07Å; V290-Y294 WeakPolarHBondContact O-CB 3.02Å; V290-Y294 PolarHBondContact O-N 3.25Å; F291-Y294 PolarHBondContact O-N 3.01Å; Y294-F297 HydrophobicContact CD2-CD1 4.22Å; Y294-F297 WeakPolarHBondContact O-CB 3.44Å; Y294-F297 PolarHBondContact O-N 3.29Å; Y294-E298 HydrophobicContact CD2-CG 4.07Å; Y294-E298 HydrophobicContact CE2-CG 3.81Å; Y294-E298 PolarHBondContact O-N 2.8Å; Y294-L336 HydrophobicContact CD1-CD1 3.91Å; Y294-L336 HydrophobicContact CD1-CD2 3.56Å; Y294-L336 HydrophobicContact CD1-CG 4.38Å; Y294-L336 HydrophobicContact CE1-CD1 3.59Å; Y294-L336 HydrophobicContact CE1-CD2 3.57Å; Y294-L336 HydrophobicContact CE1-CG 4.23Å; Y294-L336 HydrophobicContact CG-CD2 4.14Å |
| 295 | A | 84.5 | Confident | 82.5 | Confident | 13 Ų | 13 | 44 Ų | 44 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -49.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F291 F297 E298 E299 F333 | F291-A295 HydrophobicContact CE1-CB 4.48Å; F291-A295 WeakPolarHBondContact O-CB 3.33Å; F291-A295 PolarHBondContact O-N 3.44Å; A295-F297 VanDerWaalsContact C-N 3.27Å; A295-F297 PolarHBondContact O-N 2.96Å; A295-E298 PolarHBondContact O-N 3.33Å; A295-E299 WeakPolarHBondContact O-CB 3.48Å; A295-E299 VanDerWaalsContact O-CG 3.31Å; A295-E299 WeakPolarHBondContact O-CG 3.28Å; A295-E299 PolarHBondContact O-N 2.73Å; A295-F333 HydrophobicContact CB-CE2 4.41Å |
| 296 | Q | 85.4 | Confident | 82.2 | Confident | 128 Ų | 128 | 38.4 Ų | 38.4 | 60% | 0.598 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59.3 | -37.3 | 174.1 | -73.8 | 170.3 | 14 | 0 | 0 | 112.4 | D292 S300 | D292-Q296 WeakPolarHBondContact O-CB 3.39Å; D292-Q296 VanDerWaalsContact O-CG 3.24Å; D292-Q296 WeakPolarHBondContact O-CG 3.24Å; D292-Q296 PolarHBondContact O-N 3.38Å; Q296-S300 VanDerWaalsContact O-CB 3.25Å; Q296-S300 WeakPolarHBondContact O-CB 3.34Å; Q296-S300 PolarHBondContact O-N 2.76Å; Q296-S300 PolarHBondContact O-OG 3.14Å; Q296-S300 VanDerWaalsContact O-OG 3.14Å |
| 297 | F | 82.9 | Confident | 82.1 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -51.7 | 174.5 | 169.9 | -106.8 | 0 | 0 | 0 | 111.9 | I262 F267 R271 Y274 S293 Y294 A295 E299 S300 M301 | I262-F297 HydrophobicContact CD1-CD2 3.51Å; I262-F297 HydrophobicContact CD1-CE2 3.95Å; I262-F297 HydrophobicContact CD1-CG 4.11Å; I262-F297 HydrophobicContact CG1-CD2 3.81Å; I262-F297 HydrophobicContact CG1-CE2 3.68Å; I262-F297 HydrophobicContact CG1-CZ 4.45Å; I262-F297 HydrophobicContact CG2-CE2 4.4Å; F267-F297 HydrophobicContact CB-CZ 4.12Å; F267-F297 AromaticContact CD1-CE2 3.83Å; F267-F297 HydrophobicContact CD1-CE2 3.83Å; F267-F297 AromaticContact CD1-CZ 3.95Å; F267-F297 HydrophobicContact CD1-CZ 3.95Å; F267-F297 HydrophobicContact CE1-CE2 4.49Å; F267-F297 HydrophobicContact CG-CZ 4.46Å; R271-F297 HydrophobicContact CG-CE1 3.87Å; Y274-F297 HydrophobicContact CD2-CD1 4.3Å; Y274-F297 HydrophobicContact CE2-CB 3.98Å; Y274-F297 HydrophobicContact CE2-CD1 4.06Å; Y274-F297 HydrophobicContact CE2-CG 4.03Å; S293-F297 VanDerWaalsContact O-CB 3.31Å; S293-F297 WeakPolarHBondContact O-CB 3.43Å; S293-F297 PolarHBondContact O-N 3.08Å; Y294-F297 HydrophobicContact CD2-CD1 4.22Å; Y294-F297 WeakPolarHBondContact O-CB 3.44Å; Y294-F297 PolarHBondContact O-N 3.29Å; A295-F297 VanDerWaalsContact C-N 3.27Å; A295-F297 PolarHBondContact O-N 2.96Å; F297-E299 PolarHBondContact O-N 3.38Å; F297-S300 PolarHBondContact O-N 2.92Å; F297-S300 PolarHBondContact O-OG 3.04Å; F297-M301 WeakPolarHBondContact O-CB 3.43Å; F297-M301 PolarHBondContact O-N 2.89Å |
| 298 | E | 78.8 | Confident | 81.9 | Confident | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.019 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 177.2 | -69.4 | -58.4 | 136 | 0 | 0 | 112.1 | R271 Y294 A295 M301 I302 F333 | R271-E298 IonicContact CZ-OE1 3.96Å; R271-E298 IonicContact CZ-OE2 3.91Å; R271-E298 IonicContact NE-OE1 2.8Å; R271-E298 PolarHBondContact NE-OE1 2.98Å; R271-E298 IonicContact NE-OE2 3.2Å; R271-E298 VanDerWaalsContact NH2-CD 3.33Å; R271-E298 IonicContact NH2-OE1 3.88Å; R271-E298 PolarHBondContact NH2-OE1 3.35Å; R271-E298 IonicContact NH2-OE2 2.63Å; R271-E298 PolarHBondContact NH2-OE2 3.29Å; Y294-E298 HydrophobicContact CD2-CG 4.07Å; Y294-E298 HydrophobicContact CE2-CG 3.81Å; Y294-E298 PolarHBondContact O-N 2.8Å; A295-E298 PolarHBondContact O-N 3.33Å; E298-M301 PolarHBondContact O-N 2.67Å; E298-I302 WeakPolarHBondContact O-CB 3.29Å; E298-I302 WeakPolarHBondContact O-CD1 3.43Å; E298-I302 WeakPolarHBondContact O-CG1 3.06Å; E298-I302 PolarHBondContact O-N 2.95Å; E298-F333 HydrophobicContact CB-CD2 3.76Å; E298-F333 HydrophobicContact CB-CE2 4.29Å |
| 299 | E | 83.4 | Confident | 81.3 | Confident | 104 Ų | 104 | 46.8 Ų | 46.8 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58 | -49.4 | 173.7 | -75.4 | 173.8 | -173.6 | 0 | 0 | 111.5 | A295 F297 M301 I302 A303 F333 | A295-E299 WeakPolarHBondContact O-CB 3.48Å; A295-E299 VanDerWaalsContact O-CG 3.31Å; A295-E299 WeakPolarHBondContact O-CG 3.28Å; A295-E299 PolarHBondContact O-N 2.73Å; F297-E299 PolarHBondContact O-N 3.38Å; E299-M301 VanDerWaalsContact C-N 3.3Å; E299-M301 PolarHBondContact O-N 3.47Å; E299-I302 PolarHBondContact O-N 3.38Å; E299-A303 VanDerWaalsContact O-CB 3.3Å; E299-A303 WeakPolarHBondContact O-CB 3.47Å; E299-A303 PolarHBondContact O-N 3.17Å; E299-F333 HydrophobicContact CG-CE1 4.35Å; E299-F333 HydrophobicContact CG-CE2 3.81Å; E299-F333 HydrophobicContact CG-CZ 3.49Å; E299-F333 VanDerWaalsContact CG-CZ 3.49Å; E299-F333 WeakPolarHBondContact OE1-CZ 3.38Å |
| 300 | S | 82.6 | Confident | 80.7 | Confident | 68 Ų | 68 | 47.2 Ų | 47.2 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64 | -34.8 | 178.8 | 71 | 0 | 0 | 0 | 0 | 112.6 | Q296 F297 A304 | Q296-S300 VanDerWaalsContact O-CB 3.25Å; Q296-S300 WeakPolarHBondContact O-CB 3.34Å; Q296-S300 PolarHBondContact O-N 2.76Å; Q296-S300 PolarHBondContact O-OG 3.14Å; Q296-S300 VanDerWaalsContact O-OG 3.14Å; F297-S300 PolarHBondContact O-N 2.92Å; F297-S300 PolarHBondContact O-OG 3.04Å; S300-A304 VanDerWaalsContact O-CB 3.27Å; S300-A304 WeakPolarHBondContact O-CB 3.42Å; S300-A304 PolarHBondContact O-N 2.85Å |
| 301 | M | 78.8 | Confident | 80 | Confident | 30 Ų | 30 | 55 Ų | 55 | 15% | 0.148 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -76.5 | -34.6 | 178.9 | -167 | 70.5 | -167 | 0 | 0 | 112 | F267 F297 E298 E299 K305 | F267-M301 HydrophobicContact CD1-SD 4.24Å; F267-M301 HydrophobicContact CD2-CE 3.85Å; F267-M301 HydrophobicContact CD2-SD 4.4Å; F267-M301 HydrophobicContact CE1-SD 4.34Å; F267-M301 HydrophobicContact CE2-CE 4.06Å; F267-M301 HydrophobicContact CE2-SD 4.5Å; F267-M301 HydrophobicContact CG-CE 4.2Å; F267-M301 HydrophobicContact CG-SD 4.27Å; F267-M301 HydrophobicContact CZ-SD 4.47Å; F297-M301 WeakPolarHBondContact O-CB 3.43Å; F297-M301 PolarHBondContact O-N 2.89Å; E298-M301 PolarHBondContact O-N 2.67Å; E299-M301 VanDerWaalsContact C-N 3.3Å; E299-M301 PolarHBondContact O-N 3.47Å; M301-K305 WeakPolarHBondContact O-CB 3.34Å; M301-K305 WeakPolarHBondContact O-CG 3.38Å; M301-K305 PolarHBondContact O-N 2.89Å |
| 302 | I | 81.4 | Confident | 78.9 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 7% | 0.067 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.4 | -46 | 171.9 | -71.6 | 164.9 | 0 | 0 | 0 | 109.6 | E298 E299 K305 M306 L326 R329 L330 F333 | E298-I302 WeakPolarHBondContact O-CB 3.29Å; E298-I302 WeakPolarHBondContact O-CD1 3.43Å; E298-I302 WeakPolarHBondContact O-CG1 3.06Å; E298-I302 PolarHBondContact O-N 2.95Å; E299-I302 PolarHBondContact O-N 3.38Å; I302-K305 PolarHBondContact O-N 3.18Å; I302-M306 HydrophobicContact CG2-CE 3.69Å; I302-M306 HydrophobicContact CG2-CG 4.36Å; I302-M306 HydrophobicContact CG2-SD 3.95Å; I302-M306 WeakPolarHBondContact O-CB 3.4Å; I302-M306 VanDerWaalsContact O-CG 3.32Å; I302-M306 WeakPolarHBondContact O-CG 3.31Å; I302-M306 PolarHBondContact O-N 3.45Å; I302-L326 HydrophobicContact CG2-CD1 4.14Å; I302-R329 HydrophobicContact CD1-CB 4.45Å; I302-R329 HydrophobicContact CG1-CB 4.08Å; I302-L330 HydrophobicContact CD1-CD2 4.28Å; I302-L330 HydrophobicContact CG2-CD2 3.97Å; I302-F333 HydrophobicContact CD1-CB 3.9Å; I302-F333 HydrophobicContact CD1-CD1 4.43Å; I302-F333 HydrophobicContact CD1-CG 4.11Å |
| 303 | A | 84.3 | Confident | 77.4 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -51.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | E299 K305 M306 E307 | E299-A303 VanDerWaalsContact O-CB 3.3Å; E299-A303 WeakPolarHBondContact O-CB 3.47Å; E299-A303 PolarHBondContact O-N 3.17Å; A303-K305 VanDerWaalsContact C-N 3.27Å; A303-K305 PolarHBondContact O-N 2.9Å; A303-M306 PolarHBondContact O-N 2.9Å; A303-M306 VanDerWaalsContact O-N 3.15Å; A303-E307 WeakPolarHBondContact O-CG 3.47Å; A303-E307 PolarHBondContact O-N 3.36Å |
| 304 | A | 80.1 | Confident | 76 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.7 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S300 T308 | S300-A304 VanDerWaalsContact O-CB 3.27Å; S300-A304 WeakPolarHBondContact O-CB 3.42Å; S300-A304 PolarHBondContact O-N 2.85Å; A304-T308 WeakPolarHBondContact O-CG2 3.29Å; A304-T308 PolarHBondContact O-N 3.15Å; A304-T308 PolarHBondContact O-OG1 3.43Å |
| 305 | K | 75.5 | Confident | 73.9 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 12% | 0.117 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 174.1 | -84.7 | -144.5 | 147.9 | -151.3 | 0 | 113 | M301 I302 A303 E307 T308 T309 D322 D325 L326 | M301-K305 WeakPolarHBondContact O-CB 3.34Å; M301-K305 WeakPolarHBondContact O-CG 3.38Å; M301-K305 PolarHBondContact O-N 2.89Å; I302-K305 PolarHBondContact O-N 3.18Å; A303-K305 VanDerWaalsContact C-N 3.27Å; A303-K305 PolarHBondContact O-N 2.9Å; K305-E307 VanDerWaalsContact C-N 3.31Å; K305-E307 PolarHBondContact O-N 2.78Å; K305-T308 WeakPolarHBondContact CA-OG1 3.36Å; K305-T308 PolarHBondContact O-N 3.4Å; K305-T308 PolarHBondContact O-OG1 3.4Å; K305-T309 PolarHBondContact O-N 2.91Å; K305-T309 PolarHBondContact O-OG1 2.96Å; K305-D322 IonicContact NZ-OD1 3.2Å; K305-D322 PolarHBondContact NZ-OD1 3.32Å; K305-D325 WeakPolarHBondContact CE-OD2 3.38Å; K305-D325 IonicContact NZ-OD2 3.53Å; K305-D325 PolarHBondContact NZ-OD2 3.24Å; K305-L326 HydrophobicContact CB-CD1 4.34Å |
| 306 | M | 74.7 | Confident | 72 | Confident | 82 Ų | 82 | 83.1 Ų | 83.1 | 40% | 0.404 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 174.3 | -74.5 | 178 | 171.6 | 0 | 0 | 112 | I302 A303 T309 A310 L326 L330 | I302-M306 HydrophobicContact CG2-CE 3.69Å; I302-M306 HydrophobicContact CG2-CG 4.36Å; I302-M306 HydrophobicContact CG2-SD 3.95Å; I302-M306 WeakPolarHBondContact O-CB 3.4Å; I302-M306 VanDerWaalsContact O-CG 3.32Å; I302-M306 WeakPolarHBondContact O-CG 3.31Å; I302-M306 PolarHBondContact O-N 3.45Å; A303-M306 PolarHBondContact O-N 2.9Å; A303-M306 VanDerWaalsContact O-N 3.15Å; M306-T309 PolarHBondContact O-OG1 2.97Å; M306-A310 WeakPolarHBondContact O-CB 3.32Å; M306-A310 PolarHBondContact O-N 3.22Å; M306-L326 HydrophobicContact CE-CD1 4.28Å; M306-L326 HydrophobicContact CG-CD1 3.99Å; M306-L326 HydrophobicContact CG-CD2 4.01Å; M306-L330 HydrophobicContact CE-CD1 4.11Å; M306-L330 HydrophobicContact CE-CD2 4.07Å |
| 307 | E | 80.1 | Confident | 70.2 | Confident | 131 Ų | 131 | 87 Ų | 87 | 61% | 0.612 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.7 | -47.9 | 172.1 | -73.3 | 175.8 | 173 | 0 | 0 | 110.5 | A303 K305 T309 A310 E311 | A303-E307 WeakPolarHBondContact O-CG 3.47Å; A303-E307 PolarHBondContact O-N 3.36Å; K305-E307 VanDerWaalsContact C-N 3.31Å; K305-E307 PolarHBondContact O-N 2.78Å; E307-T309 PolarHBondContact O-N 2.96Å; E307-A310 PolarHBondContact O-N 2.88Å; E307-E311 WeakPolarHBondContact O-CB 3.49Å; E307-E311 WeakPolarHBondContact O-CG 3.49Å; E307-E311 PolarHBondContact O-N 2.8Å |
| 308 | T | 76.1 | Confident | 68.6 | Low | 66 Ų | 66 | 92 Ų | 92 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 177.3 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | A304 K305 E311 M312 | A304-T308 WeakPolarHBondContact O-CG2 3.29Å; A304-T308 PolarHBondContact O-N 3.15Å; A304-T308 PolarHBondContact O-OG1 3.43Å; K305-T308 WeakPolarHBondContact CA-OG1 3.36Å; K305-T308 PolarHBondContact O-N 3.4Å; K305-T308 PolarHBondContact O-OG1 3.4Å; T308-E311 PolarHBondContact O-N 3.34Å; T308-M312 WeakPolarHBondContact O-CB 3.49Å; T308-M312 VanDerWaalsContact O-CG 3.24Å; T308-M312 WeakPolarHBondContact O-CG 3.27Å; T308-M312 PolarHBondContact O-N 3.15Å |
| 309 | T | 71.1 | Confident | 67.3 | Low | 40 Ų | 40 | 97.9 Ų | 97.9 | 25% | 0.245 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -72.6 | -31.4 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | K305 M306 E307 D322 | K305-T309 PolarHBondContact O-N 2.91Å; K305-T309 PolarHBondContact O-OG1 2.96Å; M306-T309 PolarHBondContact O-OG1 2.97Å; E307-T309 PolarHBondContact O-N 2.96Å; T309-D322 HydrophobicContact CG2-CB 4.4Å |
| 310 | A | 71 | Confident | 66.1 | Low | 78 Ų | 78 | 96.3 Ų | 96.3 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.4 | -40.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | M306 E307 M312 G313 | M306-A310 WeakPolarHBondContact O-CB 3.32Å; M306-A310 PolarHBondContact O-N 3.22Å; E307-A310 PolarHBondContact O-N 2.88Å; A310-M312 VanDerWaalsContact C-N 3.34Å; A310-G313 PolarHBondContact O-N 2.98Å |
| 311 | E | 70.6 | Confident | 65 | Low | 165 Ų | 165 | 98 Ų | 98 | 77% | 0.771 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.9 | -31 | 175.3 | -74.5 | -175.6 | 166.3 | 0 | 0 | 112.7 | E307 T308 G313 | E307-E311 WeakPolarHBondContact O-CB 3.49Å; E307-E311 WeakPolarHBondContact O-CG 3.49Å; E307-E311 PolarHBondContact O-N 2.8Å; T308-E311 PolarHBondContact O-N 3.34Å; E311-G313 VanDerWaalsContact C-N 3.3Å; E311-G313 PolarHBondContact O-N 3.3Å |
| 312 | M | 62.5 | Low | 64.1 | Low | 116 Ų | 116 | 99.7 Ų | 99.7 | 57% | 0.571 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -7.8 | 177.4 | -76 | 177 | 58.9 | 0 | 0 | 114.9 | T308 A310 | T308-M312 WeakPolarHBondContact O-CB 3.49Å; T308-M312 VanDerWaalsContact O-CG 3.24Å; T308-M312 WeakPolarHBondContact O-CG 3.27Å; T308-M312 PolarHBondContact O-N 3.15Å; A310-M312 VanDerWaalsContact C-N 3.34Å |
| 313 | G | 54.8 | Low | 63.4 | Low | 39 Ų | 39 | 102 Ų | 102 | 40% | 0.402 | 55% | 0.55 | S | S | . | . | trans | 49.7 | 88.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | A310 E311 E315 | A310-G313 PolarHBondContact O-N 2.98Å; E311-G313 VanDerWaalsContact C-N 3.3Å; E311-G313 PolarHBondContact O-N 3.3Å; G313-E315 PolarHBondContact O-N 3.38Å | ||
| 314 | Q | 52.3 | Low | 62.9 | Low | 206 Ų | 206 | 104.3 Ų | 104.3 | 96% | 0.963 | 56% | 0.555 | S | S | * | * | trans | 50.3 | 34.3 | 146.6 | -62.7 | -170.2 | -16.6 | 0 | 0 | 119.9 | E316 | Q314-E316 PolarHBondContact O-N 3.47Š| ||
| 315 | E | 41.8 | Very low | 62.6 | Low | 171 Ų | 171 | 103.9 Ų | 103.9 | 80% | 0.799 | 55% | 0.546 | S | S | * | . | trans | -89.1 | 94.4 | 164.7 | -71.6 | -165.9 | 162.2 | 0 | 0 | 112.2 | G313 | G313-E315 PolarHBondContact O-N 3.38Š| ||
| 316 | E | 44.5 | Very low | 62.7 | Low | 174 Ų | 174 | 103.5 Ų | 103.5 | 81% | 0.813 | 55% | 0.545 | S | S | * | . | trans | 36 | 110.4 | 159.4 | -64.4 | -172.6 | 149.6 | 0 | 0 | 121.7 | Q314 V318 | Q314-E316 PolarHBondContact O-N 3.47Å; E316-V318 VanDerWaalsContact C-N 3.27Å; E316-V318 PolarHBondContact O-N 2.9Å | ||
| 317 | E | 47.8 | Very low | 62.9 | Low | 211 Ų | 211 | 105.9 Ų | 105.9 | 99% | 0.986 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 50.7 | 0.8 | 141.7 | -75.4 | -163.6 | 156 | 0 | 0 | 122.3 | ||
| 318 | V | 48.2 | Very low | 62.8 | Low | 116 Ų | 116 | 103.3 Ų | 103.3 | 70% | 0.703 | 55% | 0.545 | S | S | * | . | trans | -100.7 | 116.9 | 168.2 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | E316 Q320 | E316-V318 VanDerWaalsContact C-N 3.27Å; E316-V318 PolarHBondContact O-N 2.9Å; V318-Q320 WeakPolarHBondContact O-CG 3.46Å; V318-Q320 PolarHBondContact O-N 3.2Å | ||
| 319 | L | 52.3 | Low | 62.6 | Low | 127 Ų | 127 | 101.4 Ų | 101.4 | 67% | 0.665 | 53% | 0.531 | S | S | * | . | trans | -48.5 | 104 | 166.3 | -86 | 142 | 0 | 0 | 0 | 109.1 | ||||
| 320 | Q | 56.8 | Low | 63 | Low | 71 Ų | 71 | 102.2 Ų | 102.2 | 33% | 0.332 | 53% | 0.533 | S | S | . | . | trans | -73.7 | 149 | -176.1 | -64.2 | -169.6 | 8.1 | 0 | 0 | 108.8 | V318 D322 D323 I324 | V318-Q320 WeakPolarHBondContact O-CG 3.46Å; V318-Q320 PolarHBondContact O-N 3.2Å; Q320-D322 PolarHBondContact O-N 3.01Å; Q320-D323 PolarHBondContact N-OD2 2.74Å; Q320-D323 PolarHBondContact O-N 3.25Å; Q320-I324 PolarHBondContact O-N 3.38Å | ||
| 321 | P | 60.7 | Low | 63.4 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -53.8 | -27.1 | 175.8 | -27.2 | 35.7 | 0 | 0 | 0 | 113.3 | D325 | P321-D325 WeakPolarHBondContact O-CB 3.47Å; P321-D325 PolarHBondContact O-N 2.63Å |
| 322 | D | 59.9 | Low | 63.7 | Low | 65 Ų | 65 | 98.4 Ų | 98.4 | 35% | 0.348 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.3 | -30.3 | 176.6 | -73.4 | -65 | 0 | 0 | 0 | 114.2 | K305 T309 Q320 L326 | K305-D322 IonicContact NZ-OD1 3.2Å; K305-D322 PolarHBondContact NZ-OD1 3.32Å; T309-D322 HydrophobicContact CG2-CB 4.4Å; Q320-D322 PolarHBondContact O-N 3.01Å; D322-L326 WeakPolarHBondContact O-CB 3.43Å; D322-L326 PolarHBondContact O-N 2.74Å |
| 323 | D | 66.3 | Low | 64.4 | Low | 62 Ų | 62 | 94.4 Ų | 94.4 | 33% | 0.332 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.9 | -41.2 | 171.3 | -64.3 | -40.9 | 0 | 0 | 0 | 110.7 | Q320 L326 E327 | Q320-D323 PolarHBondContact N-OD2 2.74Å; Q320-D323 PolarHBondContact O-N 3.25Å; D323-L326 WeakPolarHBondContact O-CB 3.46Å; D323-L326 PolarHBondContact O-N 3.46Å; D323-E327 PolarHBondContact O-N 3.09Å |
| 324 | I | 74.1 | Confident | 65.6 | Low | 93 Ų | 93 | 98.9 Ų | 98.9 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 176.7 | -59.3 | 173.5 | 0 | 0 | 0 | 110.5 | Q320 L328 | Q320-I324 PolarHBondContact O-N 3.38Å; I324-L328 WeakPolarHBondContact O-CB 3.11Å; I324-L328 PolarHBondContact O-N 3.13Å |
| 325 | D | 73.2 | Confident | 66.7 | Low | 37 Ų | 37 | 93.8 Ų | 93.8 | 20% | 0.198 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -69.7 | -31.6 | 173.1 | -176.9 | 39.5 | 0 | 0 | 0 | 112 | K305 P321 R329 | K305-D325 WeakPolarHBondContact CE-OD2 3.38Å; K305-D325 IonicContact NZ-OD2 3.53Å; K305-D325 PolarHBondContact NZ-OD2 3.24Å; P321-D325 WeakPolarHBondContact O-CB 3.47Å; P321-D325 PolarHBondContact O-N 2.63Å; D325-R329 WeakPolarHBondContact O-CB 3.42Å; D325-R329 VanDerWaalsContact O-CD 3.24Å; D325-R329 WeakPolarHBondContact O-CD 3.47Å; D325-R329 WeakPolarHBondContact O-CG 3.46Å; D325-R329 PolarHBondContact O-N 3.19Å; D325-R329 IonicContact OD1-CZ 3.6Å; D325-R329 IonicContact OD1-NE 3.51Å; D325-R329 PolarHBondContact OD1-NE 3.44Å; D325-R329 IonicContact OD1-NH2 3.83Å; D325-R329 PolarHBondContact OD1-NH2 3.14Å; D325-R329 IonicContact OD2-CZ 2.67Å; D325-R329 IonicContact OD2-NE 2.77Å; D325-R329 PolarHBondContact OD2-NE 2.84Å; D325-R329 IonicContact OD2-NH2 3.63Å; D325-R329 PolarHBondContact OD2-NH2 3.35Å |
| 326 | L | 77.4 | Confident | 68.4 | Low | 20 Ų | 20 | 86.1 Ų | 86.1 | 11% | 0.105 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.8 | -48.7 | 172.7 | -178.1 | 61.6 | 0 | 0 | 0 | 111.8 | I302 K305 M306 D322 D323 L328 R329 L330 | I302-L326 HydrophobicContact CG2-CD1 4.14Å; K305-L326 HydrophobicContact CB-CD1 4.34Å; M306-L326 HydrophobicContact CE-CD1 4.28Å; M306-L326 HydrophobicContact CG-CD1 3.99Å; M306-L326 HydrophobicContact CG-CD2 4.01Å; D322-L326 WeakPolarHBondContact O-CB 3.43Å; D322-L326 PolarHBondContact O-N 2.74Å; D323-L326 WeakPolarHBondContact O-CB 3.46Å; D323-L326 PolarHBondContact O-N 3.46Å; L326-L328 VanDerWaalsContact C-N 3.32Å; L326-L328 PolarHBondContact O-N 2.91Å; L326-R329 PolarHBondContact O-N 2.99Å; L326-R329 VanDerWaalsContact O-N 3.16Å; L326-L330 HydrophobicContact CD1-CD1 4.5Å; L326-L330 HydrophobicContact CG-CD1 4.22Å; L326-L330 WeakPolarHBondContact O-CG 3.37Å; L326-L330 PolarHBondContact O-N 2.88Å |
| 327 | E | 79.5 | Confident | 70 | Confident | 131 Ų | 131 | 82 Ų | 82 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -58.8 | -43.3 | 172.9 | -78.4 | -164.8 | 142.8 | 0 | 0 | 111.6 | D323 R329 L330 A331 | D323-E327 PolarHBondContact O-N 3.09Å; E327-R329 VanDerWaalsContact C-N 3.27Å; E327-R329 PolarHBondContact O-N 3.2Å; E327-L330 PolarHBondContact O-N 3.34Å; E327-A331 VanDerWaalsContact O-CB 3.32Å; E327-A331 WeakPolarHBondContact O-CB 3.45Å; E327-A331 PolarHBondContact O-N 2.9Å |
| 328 | L | 77.8 | Confident | 71.4 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 41% | 0.408 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62 | -34.4 | 177 | -178.8 | 61.4 | 0 | 0 | 0 | 112.2 | I324 L326 R332 | I324-L328 WeakPolarHBondContact O-CB 3.11Å; I324-L328 PolarHBondContact O-N 3.13Å; L326-L328 VanDerWaalsContact C-N 3.32Å; L326-L328 PolarHBondContact O-N 2.91Å; L328-R332 WeakPolarHBondContact O-CB 3.31Å; L328-R332 WeakPolarHBondContact O-CD 3.46Å; L328-R332 WeakPolarHBondContact O-CG 3.27Å; L328-R332 PolarHBondContact O-N 3.12Å; L328-R332 VanDerWaalsContact O-N 3.12Å |
| 329 | R | 72.4 | Confident | 72.8 | Confident | 25 Ų | 25 | 75.7 Ų | 75.7 | 9% | 0.094 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -73.8 | -44.2 | 175.1 | -73.3 | 162 | -169.2 | -120.3 | 7.2 | 112.1 | I302 D325 L326 E327 R332 F333 | I302-R329 HydrophobicContact CD1-CB 4.45Å; I302-R329 HydrophobicContact CG1-CB 4.08Å; D325-R329 WeakPolarHBondContact O-CB 3.42Å; D325-R329 VanDerWaalsContact O-CD 3.24Å; D325-R329 WeakPolarHBondContact O-CD 3.47Å; D325-R329 WeakPolarHBondContact O-CG 3.46Å; D325-R329 PolarHBondContact O-N 3.19Å; D325-R329 IonicContact OD1-CZ 3.6Å; D325-R329 IonicContact OD1-NE 3.51Å; D325-R329 PolarHBondContact OD1-NE 3.44Å; D325-R329 IonicContact OD1-NH2 3.83Å; D325-R329 PolarHBondContact OD1-NH2 3.14Å; D325-R329 IonicContact OD2-CZ 2.67Å; D325-R329 IonicContact OD2-NE 2.77Å; D325-R329 PolarHBondContact OD2-NE 2.84Å; D325-R329 IonicContact OD2-NH2 3.63Å; D325-R329 PolarHBondContact OD2-NH2 3.35Å; L326-R329 PolarHBondContact O-N 2.99Å; L326-R329 VanDerWaalsContact O-N 3.16Å; E327-R329 VanDerWaalsContact C-N 3.27Å; E327-R329 PolarHBondContact O-N 3.2Å; R329-R332 PolarHBondContact O-N 3.05Å; R329-F333 WeakPolarHBondContact O-CB 3.24Å; R329-F333 PolarHBondContact O-N 3.17Å |
| 330 | L | 78.8 | Confident | 74 | Confident | 57 Ų | 57 | 74.4 Ų | 74.4 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 174.3 | -72.8 | 166.3 | 0 | 0 | 0 | 110.8 | I302 M306 L326 E327 R332 F333 E334 | I302-L330 HydrophobicContact CD1-CD2 4.28Å; I302-L330 HydrophobicContact CG2-CD2 3.97Å; M306-L330 HydrophobicContact CE-CD1 4.11Å; M306-L330 HydrophobicContact CE-CD2 4.07Å; L326-L330 HydrophobicContact CD1-CD1 4.5Å; L326-L330 HydrophobicContact CG-CD1 4.22Å; L326-L330 WeakPolarHBondContact O-CG 3.37Å; L326-L330 PolarHBondContact O-N 2.88Å; E327-L330 PolarHBondContact O-N 3.34Å; L330-R332 VanDerWaalsContact C-N 3.28Å; L330-R332 PolarHBondContact O-N 3.12Å; L330-F333 PolarHBondContact O-N 3.02Å; L330-F333 VanDerWaalsContact O-N 3.12Å; L330-E334 WeakPolarHBondContact O-CG 3.47Å; L330-E334 PolarHBondContact O-N 3.08Å |
| 331 | A | 79.9 | Confident | 75 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E327 Q335 | E327-A331 VanDerWaalsContact O-CB 3.32Å; E327-A331 WeakPolarHBondContact O-CB 3.45Å; E327-A331 PolarHBondContact O-N 2.9Å; A331-Q335 WeakPolarHBondContact O-CB 3.32Å; A331-Q335 WeakPolarHBondContact O-CG 3.47Å; A331-Q335 PolarHBondContact O-N 3.38Å; A331-Q335 VanDerWaalsContact O-N 3.17Å |
| 332 | R | 75.8 | Confident | 75.8 | Confident | 123 Ų | 123 | 70.7 Ų | 70.7 | 46% | 0.464 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72 | -40.8 | 173 | -77.6 | 168.6 | -176.9 | -170.3 | 2.1 | 112.1 | L328 R329 L330 Q335 L336 | L328-R332 WeakPolarHBondContact O-CB 3.31Å; L328-R332 WeakPolarHBondContact O-CD 3.46Å; L328-R332 WeakPolarHBondContact O-CG 3.27Å; L328-R332 PolarHBondContact O-N 3.12Å; L328-R332 VanDerWaalsContact O-N 3.12Å; R329-R332 PolarHBondContact O-N 3.05Å; L330-R332 VanDerWaalsContact C-N 3.28Å; L330-R332 PolarHBondContact O-N 3.12Å; R332-Q335 WeakPolarHBondContact O-CB 3.35Å; R332-Q335 PolarHBondContact O-N 2.98Å; R332-L336 WeakPolarHBondContact O-CB 3.19Å; R332-L336 PolarHBondContact O-N 3.3Å |
| 333 | F | 77.2 | Confident | 76.6 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 178 | -179.3 | -111.1 | 0 | 0 | 0 | 111.9 | A295 E298 E299 I302 R329 L330 Q335 L336 I337 | A295-F333 HydrophobicContact CB-CE2 4.41Å; E298-F333 HydrophobicContact CB-CD2 3.76Å; E298-F333 HydrophobicContact CB-CE2 4.29Å; E299-F333 HydrophobicContact CG-CE1 4.35Å; E299-F333 HydrophobicContact CG-CE2 3.81Å; E299-F333 HydrophobicContact CG-CZ 3.49Å; E299-F333 VanDerWaalsContact CG-CZ 3.49Å; E299-F333 WeakPolarHBondContact OE1-CZ 3.38Å; I302-F333 HydrophobicContact CD1-CB 3.9Å; I302-F333 HydrophobicContact CD1-CD1 4.43Å; I302-F333 HydrophobicContact CD1-CG 4.11Å; R329-F333 WeakPolarHBondContact O-CB 3.24Å; R329-F333 PolarHBondContact O-N 3.17Å; L330-F333 PolarHBondContact O-N 3.02Å; L330-F333 VanDerWaalsContact O-N 3.12Å; F333-Q335 VanDerWaalsContact C-N 3.33Å; F333-Q335 PolarHBondContact O-N 2.7Å; F333-L336 WeakPolarHBondContact O-CB 3.32Å; F333-L336 PolarHBondContact O-N 2.92Å; F333-L336 VanDerWaalsContact O-N 3.1Å; F333-I337 HydrophobicContact CD1-CD1 3.87Å; F333-I337 HydrophobicContact CE1-CD1 3.39Å; F333-I337 HydrophobicContact CE1-CG1 4.45Å; F333-I337 HydrophobicContact CE2-CD1 4.2Å; F333-I337 HydrophobicContact CG-CD1 4.46Å; F333-I337 HydrophobicContact CZ-CD1 3.58Å; F333-I337 HydrophobicContact CZ-CG1 4.33Å; F333-I337 WeakPolarHBondContact O-CG1 3.41Å; F333-I337 PolarHBondContact O-N 3.4Å |
| 334 | E | 80.2 | Confident | 77.2 | Confident | 133 Ų | 133 | 69 Ų | 69 | 62% | 0.621 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.9 | -43.8 | 171 | -72.3 | -178.3 | 172 | 0 | 0 | 111.6 | L330 L336 I337 A338 | L330-E334 WeakPolarHBondContact O-CG 3.47Å; L330-E334 PolarHBondContact O-N 3.08Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 3.02Å; E334-I337 PolarHBondContact O-N 3.06Å; E334-A338 VanDerWaalsContact O-CB 3.3Å; E334-A338 WeakPolarHBondContact O-CB 3.32Å; E334-A338 PolarHBondContact O-N 3.17Å |
| 335 | Q | 77.1 | Confident | 77.4 | Confident | 99 Ų | 99 | 64.8 Ų | 64.8 | 46% | 0.463 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 173.6 | -77 | 179.1 | 44.5 | 0 | 0 | 112.8 | A331 R332 F333 R339 | A331-Q335 WeakPolarHBondContact O-CB 3.32Å; A331-Q335 WeakPolarHBondContact O-CG 3.47Å; A331-Q335 PolarHBondContact O-N 3.38Å; A331-Q335 VanDerWaalsContact O-N 3.17Å; R332-Q335 WeakPolarHBondContact O-CB 3.35Å; R332-Q335 PolarHBondContact O-N 2.98Å; F333-Q335 VanDerWaalsContact C-N 3.33Å; F333-Q335 PolarHBondContact O-N 2.7Å; Q335-R339 VanDerWaalsContact O-CB 3.27Å; Q335-R339 WeakPolarHBondContact O-CB 3.22Å; Q335-R339 VanDerWaalsContact O-CD 3.31Å; Q335-R339 WeakPolarHBondContact O-CD 3.27Å; Q335-R339 WeakPolarHBondContact O-CG 3.42Å; Q335-R339 PolarHBondContact O-N 3.09Å |
| 336 | L | 77.4 | Confident | 77.6 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 176.6 | -178.7 | 65.3 | 0 | 0 | 0 | 111.2 | F291 Y294 R332 F333 E334 R339 R340 L343 | F291-L336 HydrophobicContact CD2-CD1 4.49Å; F291-L336 HydrophobicContact CE2-CD1 3.78Å; F291-L336 HydrophobicContact CE2-CG 3.87Å; F291-L336 HydrophobicContact CZ-CD1 4.47Å; F291-L336 HydrophobicContact CZ-CG 4.06Å; Y294-L336 HydrophobicContact CD1-CD1 3.91Å; Y294-L336 HydrophobicContact CD1-CD2 3.56Å; Y294-L336 HydrophobicContact CD1-CG 4.38Å; Y294-L336 HydrophobicContact CE1-CD1 3.59Å; Y294-L336 HydrophobicContact CE1-CD2 3.57Å; Y294-L336 HydrophobicContact CE1-CG 4.23Å; Y294-L336 HydrophobicContact CG-CD2 4.14Å; R332-L336 WeakPolarHBondContact O-CB 3.19Å; R332-L336 PolarHBondContact O-N 3.3Å; F333-L336 WeakPolarHBondContact O-CB 3.32Å; F333-L336 PolarHBondContact O-N 2.92Å; F333-L336 VanDerWaalsContact O-N 3.1Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 3.02Å; L336-R339 PolarHBondContact O-N 3.18Å; L336-R340 PolarHBondContact O-N 3.03Å; L336-R340 VanDerWaalsContact O-N 3.09Å; L336-L343 HydrophobicContact CD1-CD1 4.48Å |
| 337 | I | 77.3 | Confident | 77.5 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 46% | 0.456 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 175.5 | -69.4 | 171.5 | 0 | 0 | 0 | 110.5 | F333 E334 R339 R340 | F333-I337 HydrophobicContact CD1-CD1 3.87Å; F333-I337 HydrophobicContact CE1-CD1 3.39Å; F333-I337 HydrophobicContact CE1-CG1 4.45Å; F333-I337 HydrophobicContact CE2-CD1 4.2Å; F333-I337 HydrophobicContact CG-CD1 4.46Å; F333-I337 HydrophobicContact CZ-CD1 3.58Å; F333-I337 HydrophobicContact CZ-CG1 4.33Å; F333-I337 WeakPolarHBondContact O-CG1 3.41Å; F333-I337 PolarHBondContact O-N 3.4Å; E334-I337 PolarHBondContact O-N 3.06Å; I337-R339 PolarHBondContact O-N 3.32Å; I337-R340 VanDerWaalsContact O-CB 3.25Å; I337-R340 WeakPolarHBondContact O-CB 3.38Å; I337-R340 PolarHBondContact O-N 3.39Å |
| 338 | A | 77.8 | Confident | 77.2 | Confident | 72 Ų | 72 | 59.2 Ų | 59.2 | 60% | 0.595 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.7 | -30.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E334 P341 | E334-A338 VanDerWaalsContact O-CB 3.3Å; E334-A338 WeakPolarHBondContact O-CB 3.32Å; E334-A338 PolarHBondContact O-N 3.17Å; A338-P341 WeakPolarHBondContact O-CD 3.4Å |
| 339 | R | 76.8 | Confident | 77.1 | Confident | 121 Ų | 121 | 56.1 Ų | 56.1 | 46% | 0.457 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -80.8 | -14.8 | 175.3 | -72.2 | 168.8 | -165.2 | -168.7 | 9.7 | 113.9 | Q335 L336 I337 P341 L342 L343 | Q335-R339 VanDerWaalsContact O-CB 3.27Å; Q335-R339 WeakPolarHBondContact O-CB 3.22Å; Q335-R339 VanDerWaalsContact O-CD 3.31Å; Q335-R339 WeakPolarHBondContact O-CD 3.27Å; Q335-R339 WeakPolarHBondContact O-CG 3.42Å; Q335-R339 PolarHBondContact O-N 3.09Å; L336-R339 PolarHBondContact O-N 3.18Å; I337-R339 PolarHBondContact O-N 3.32Å; R339-P341 VanDerWaalsContact C-CD 3.49Å; R339-L342 WeakPolarHBondContact O-CB 3.37Å; R339-L342 PolarHBondContact O-N 3.18Å; R339-L343 HydrophobicContact CB-CD1 4Å; R339-L343 HydrophobicContact CB-CG 4.17Å; R339-L343 WeakPolarHBondContact O-CG 3.22Å; R339-L343 PolarHBondContact O-N 3.09Å |
| 340 | R | 78.3 | Confident | 77.2 | Confident | 100 Ų | 100 | 60.2 Ų | 60.2 | 38% | 0.377 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -49.2 | -46.3 | -177.9 | -170.9 | -176.1 | -173.9 | 147.1 | 14.1 | 113.4 | F291 D292 L336 I337 L344 | F291-R340 HydrophobicContact CD1-CG 4.24Å; F291-R340 HydrophobicContact CE1-CB 4.2Å; F291-R340 HydrophobicContact CE1-CG 3.76Å; F291-R340 HydrophobicContact CE2-CB 4.01Å; F291-R340 HydrophobicContact CE2-CG 4.06Å; F291-R340 HydrophobicContact CZ-CB 3.63Å; F291-R340 HydrophobicContact CZ-CG 3.66Å; D292-R340 IonicContact OD1-CZ 3.92Å; D292-R340 IonicContact OD1-NH1 3.32Å; D292-R340 IonicContact OD1-NH2 3.85Å; D292-R340 PolarHBondContact OD1-NH2 3.48Å; D292-R340 IonicContact OD2-NH2 3.71Å; L336-R340 PolarHBondContact O-N 3.03Å; L336-R340 VanDerWaalsContact O-N 3.09Å; I337-R340 VanDerWaalsContact O-CB 3.25Å; I337-R340 WeakPolarHBondContact O-CB 3.38Å; I337-R340 PolarHBondContact O-N 3.39Å; R340-L344 VanDerWaalsContact O-CB 3.32Å; R340-L344 WeakPolarHBondContact O-CB 3.23Å; R340-L344 PolarHBondContact O-N 3.39Å |
| 341 | P | 77.9 | Confident | 76.8 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.9 | -38 | 178.6 | -19.5 | 34.5 | 0 | 0 | 0 | 113 | A338 R339 N345 L365 | A338-P341 WeakPolarHBondContact O-CD 3.4Å; R339-P341 VanDerWaalsContact C-CD 3.49Å; P341-N345 VanDerWaalsContact O-CB 3.31Å; P341-N345 WeakPolarHBondContact O-CB 3.42Å; P341-N345 PolarHBondContact O-N 3.14Å; P341-L365 HydrophobicContact CB-CD1 4.04Å; P341-L365 HydrophobicContact CB-CD2 3.95Å |
| 342 | L | 77.4 | Confident | 76.5 | Confident | 37 Ų | 37 | 63 Ų | 63 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 177.7 | -65.6 | 174.1 | 0 | 0 | 0 | 111.5 | R339 N345 S346 L365 Y366 | R339-L342 WeakPolarHBondContact O-CB 3.37Å; R339-L342 PolarHBondContact O-N 3.18Å; L342-N345 PolarHBondContact O-N 3.16Å; L342-S346 WeakPolarHBondContact O-CB 3.49Å; L342-S346 PolarHBondContact O-N 3.38Å; L342-L365 HydrophobicContact CD2-CB 3.59Å; L342-L365 HydrophobicContact CD2-CD1 4.34Å; L342-Y366 HydrophobicContact CD1-CE1 3.92Å; L342-Y366 HydrophobicContact CD2-CD1 4.24Å; L342-Y366 HydrophobicContact CD2-CD2 4.33Å; L342-Y366 HydrophobicContact CD2-CE1 3.85Å; L342-Y366 HydrophobicContact CD2-CE2 3.93Å; L342-Y366 HydrophobicContact CD2-CG 4.48Å |
| 343 | L | 76.9 | Confident | 76.6 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -47.1 | 177.7 | -68.4 | 172.9 | 0 | 0 | 0 | 111 | I278 F287 F291 L336 R339 N345 S346 V347 | I278-L343 HydrophobicContact CG2-CD1 4.07Å; I278-L343 HydrophobicContact CG2-CD2 3.76Å; I278-L343 HydrophobicContact CG2-CG 4.37Å; F287-L343 HydrophobicContact CE2-CB 3.81Å; F287-L343 HydrophobicContact CZ-CB 3.6Å; F291-L343 HydrophobicContact CE2-CD1 4.4Å; L336-L343 HydrophobicContact CD1-CD1 4.48Å; R339-L343 HydrophobicContact CB-CD1 4Å; R339-L343 HydrophobicContact CB-CG 4.17Å; R339-L343 WeakPolarHBondContact O-CG 3.22Å; R339-L343 PolarHBondContact O-N 3.09Å; L343-N345 VanDerWaalsContact C-N 3.34Å; L343-N345 PolarHBondContact O-N 3.49Å; L343-S346 WeakPolarHBondContact O-CA 3.43Å; L343-S346 WeakPolarHBondContact O-CB 3.4Å; L343-S346 PolarHBondContact O-N 2.8Å; L343-S346 VanDerWaalsContact O-N 3.08Å; L343-S346 PolarHBondContact O-OG 3.16Å; L343-V347 WeakPolarHBondContact O-CG2 3.37Å; L343-V347 PolarHBondContact O-N 2.89Å |
| 344 | L | 78.4 | Confident | 76.5 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 175.2 | 177.9 | 61.1 | 0 | 0 | 0 | 111.9 | V284 F287 R340 S346 V347 L348 | V284-L344 HydrophobicContact CG1-CD1 3.88Å; V284-L344 HydrophobicContact CG2-CD1 4.03Å; F287-L344 HydrophobicContact CD1-CB 4.49Å; F287-L344 HydrophobicContact CD1-CD1 3.97Å; F287-L344 HydrophobicContact CE1-CB 3.88Å; F287-L344 HydrophobicContact CE1-CD1 4.16Å; R340-L344 VanDerWaalsContact O-CB 3.32Å; R340-L344 WeakPolarHBondContact O-CB 3.23Å; R340-L344 PolarHBondContact O-N 3.39Å; L344-S346 VanDerWaalsContact C-N 3.33Å; L344-S346 PolarHBondContact O-N 2.84Å; L344-V347 PolarHBondContact O-N 3.23Å; L344-L348 HydrophobicContact CG-CD1 4.44Å; L344-L348 WeakPolarHBondContact O-CG 3.41Å; L344-L348 PolarHBondContact O-N 3.47Å |
| 345 | N | 78.4 | Confident | 76.5 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.027 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 175.4 | 177.9 | -94.6 | 0 | 0 | 0 | 111.9 | P341 L342 L343 V347 L348 L349 E358 R362 L365 | P341-N345 VanDerWaalsContact O-CB 3.31Å; P341-N345 WeakPolarHBondContact O-CB 3.42Å; P341-N345 PolarHBondContact O-N 3.14Å; L342-N345 PolarHBondContact O-N 3.16Å; L343-N345 VanDerWaalsContact C-N 3.34Å; L343-N345 PolarHBondContact O-N 3.49Å; N345-V347 VanDerWaalsContact C-N 3.31Å; N345-V347 PolarHBondContact O-N 3.35Å; N345-L348 PolarHBondContact O-N 2.98Å; N345-L349 WeakPolarHBondContact O-CG 3.25Å; N345-L349 PolarHBondContact O-N 3.1Å; N345-E358 PolarHBondContact ND2-O 2.97Å; N345-E358 PolarHBondContact ND2-OE2 2.91Å; N345-R362 WeakPolarHBondContact OD1-CB 3.38Å; N345-R362 WeakPolarHBondContact OD1-CD 3.46Å; N345-R362 VanDerWaalsContact OD1-CG 3.3Å; N345-R362 WeakPolarHBondContact OD1-CG 3.23Å; N345-L365 HydrophobicContact CB-CD1 4.34Å |
| 346 | S | 77.1 | Confident | 76.5 | Confident | 25 Ų | 25 | 51 Ų | 51 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 173.5 | 86.3 | 0 | 0 | 0 | 0 | 112.9 | L342 L343 L344 L349 R350 | L342-S346 WeakPolarHBondContact O-CB 3.49Å; L342-S346 PolarHBondContact O-N 3.38Å; L343-S346 WeakPolarHBondContact O-CA 3.43Å; L343-S346 WeakPolarHBondContact O-CB 3.4Å; L343-S346 PolarHBondContact O-N 2.8Å; L343-S346 VanDerWaalsContact O-N 3.08Å; L343-S346 PolarHBondContact O-OG 3.16Å; L344-S346 VanDerWaalsContact C-N 3.33Å; L344-S346 PolarHBondContact O-N 2.84Å; S346-L349 PolarHBondContact O-N 2.75Å; S346-R350 WeakPolarHBondContact O-CD 3.44Å; S346-R350 VanDerWaalsContact O-CG 3.24Å; S346-R350 WeakPolarHBondContact O-CG 3.37Å; S346-R350 PolarHBondContact O-N 2.81Å |
| 347 | V | 74.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.4 | -42.4 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | V282 V284 F287 L343 L344 N345 L349 R350 Q351 | V282-V347 VanDerWaalsContact O-CG1 3.29Å; V282-V347 WeakPolarHBondContact O-CG1 3.17Å; V284-V347 HydrophobicContact CG2-CG1 4.33Å; F287-V347 HydrophobicContact CB-CG1 4.21Å; F287-V347 HydrophobicContact CB-CG2 4.12Å; F287-V347 HydrophobicContact CD2-CG2 3.77Å; F287-V347 HydrophobicContact CE2-CG2 4.4Å; F287-V347 HydrophobicContact CG-CG2 3.89Å; L343-V347 WeakPolarHBondContact O-CG2 3.37Å; L343-V347 PolarHBondContact O-N 2.89Å; L344-V347 PolarHBondContact O-N 3.23Å; N345-V347 VanDerWaalsContact C-N 3.31Å; N345-V347 PolarHBondContact O-N 3.35Å; V347-L349 VanDerWaalsContact C-N 3.33Å; V347-L349 PolarHBondContact O-N 3.08Å; V347-R350 WeakPolarHBondContact O-CB 3.43Å; V347-R350 PolarHBondContact O-N 3.09Å; V347-R350 VanDerWaalsContact O-N 3.16Å; V347-Q351 PolarHBondContact O-N 2.95Å |
| 348 | L | 74.7 | Confident | 76.6 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 174 | -70.8 | 169.1 | 0 | 0 | 0 | 112.4 | V284 L344 N345 Q351 N352 E358 | V284-L348 HydrophobicContact CG2-CD2 3.6Å; V284-L348 HydrophobicContact CG2-CG 4.11Å; L344-L348 HydrophobicContact CG-CD1 4.44Å; L344-L348 WeakPolarHBondContact O-CG 3.41Å; L344-L348 PolarHBondContact O-N 3.47Å; N345-L348 PolarHBondContact O-N 2.98Å; L348-Q351 PolarHBondContact O-N 2.86Å; L348-N352 PolarHBondContact O-N 3.08Å; L348-E358 HydrophobicContact CB-CG 4.31Å |
| 349 | L | 74.8 | Confident | 76.8 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.5 | -28.5 | 174.4 | -69.2 | 178 | 0 | 0 | 0 | 113.1 | N345 S346 V347 N352 P353 E358 W359 | N345-L349 WeakPolarHBondContact O-CG 3.25Å; N345-L349 PolarHBondContact O-N 3.1Å; S346-L349 PolarHBondContact O-N 2.75Å; V347-L349 VanDerWaalsContact C-N 3.33Å; V347-L349 PolarHBondContact O-N 3.08Å; L349-N352 CarbonylContact O-C 3.55Å; L349-P353 WeakPolarHBondContact O-CA 3.45Å; L349-P353 WeakPolarHBondContact O-CD 3.11Å; L349-P353 WeakPolarHBondContact O-CG 3.44Å; L349-E358 HydrophobicContact CD2-CB 3.7Å; L349-E358 HydrophobicContact CG-CB 4.33Å; L349-W359 HydrophobicContact CD1-CD2 3.82Å; L349-W359 HydrophobicContact CD1-CE3 3.75Å; L349-W359 HydrophobicContact CD1-CH2 3.99Å; L349-W359 HydrophobicContact CD1-CZ2 4.02Å; L349-W359 HydrophobicContact CD1-CZ3 3.88Å; L349-W359 HydrophobicContact CD2-CD2 3.79Å; L349-W359 HydrophobicContact CD2-CG 3.85Å; L349-W359 HydrophobicContact CD2-CZ2 4.23Å; L349-W359 HydrophobicContact CG-CD2 4.47Å |
| 350 | R | 75 | Confident | 76.9 | Confident | 112 Ų | 112 | 45.8 Ų | 45.8 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.7 | -36.8 | 171.1 | -71.7 | 160.6 | -173.1 | -102.8 | 15.9 | 112.3 | L279 S346 V347 | L279-R350 PolarHBondContact O-NH1 3.37Å; L279-R350 PolarHBondContact O-NH2 3.46Å; L279-R350 VanDerWaalsContact O-NH2 3.1Å; S346-R350 WeakPolarHBondContact O-CD 3.44Å; S346-R350 VanDerWaalsContact O-CG 3.24Å; S346-R350 WeakPolarHBondContact O-CG 3.37Å; S346-R350 PolarHBondContact O-N 2.81Å; V347-R350 WeakPolarHBondContact O-CB 3.43Å; V347-R350 PolarHBondContact O-N 3.09Å; V347-R350 VanDerWaalsContact O-N 3.16Å |
| 351 | Q | 70.9 | Confident | 77 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67 | -46.9 | 173.5 | -67.5 | 174.9 | 10.7 | 0 | 0 | 112 | V282 V284 V347 L348 | V282-Q351 HydrophobicContact CG1-CG 3.93Å; V282-Q351 WeakPolarHBondContact O-CG 3.5Å; V282-Q351 PolarHBondContact O-NE2 3.43Å; V284-Q351 VanDerWaalsContact N-NE2 3.15Å; V347-Q351 PolarHBondContact O-N 2.95Å; L348-Q351 PolarHBondContact O-N 2.86Å |
| 352 | N | 73.4 | Confident | 77.1 | Confident | 86 Ų | 86 | 43.9 Ų | 43.9 | 46% | 0.46 | 21% | 0.213 | S | C | . | . | trans | -135.1 | 78.5 | -173.9 | -69 | -73.5 | 0 | 0 | 0 | 110.9 | L348 L349 H354 N355 | L348-N352 PolarHBondContact O-N 3.08Å; L349-N352 CarbonylContact O-C 3.55Å; N352-H354 PolarHBondContact O-N 3.33Å; N352-N355 HydrophobicContact CB-CB 4.05Å; N352-N355 WeakPolarHBondContact O-CB 3.37Å; N352-N355 PolarHBondContact O-N 3.32Å | ||
| 353 | P | 77.1 | Confident | 77 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 32% | 0.318 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26 | -179.8 | -26.3 | 34.1 | 0 | 0 | 0 | 113.8 | L349 W359 | L349-P353 WeakPolarHBondContact O-CA 3.45Å; L349-P353 WeakPolarHBondContact O-CD 3.11Å; L349-P353 WeakPolarHBondContact O-CG 3.44Å; P353-W359 PolarHBondContact O-NE1 2.91Å |
| 354 | H | 75.6 | Confident | 77.1 | Confident | 47 Ų | 47 | 48.1 Ų | 48.1 | 22% | 0.218 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 8.1 | -178.1 | -40.9 | -49.6 | 0 | 0 | 0 | 114.2 | N352 V356 T383 D385 K388 A389 T390 | N352-H354 PolarHBondContact O-N 3.33Å; H354-V356 PolarHBondContact O-N 3.36Å; H354-T383 PolarHBondContact CE1-O 3.27Å; H354-T383 PolarHBondContact ND1-O 3.08Å; H354-D385 IonicContact CE1-OD2 2.79Å; H354-D385 PolarHBondContact ND1-N 3.36Å; H354-D385 IonicContact NE2-OD2 2.73Å; H354-K388 WeakPolarHBondContact NE2-CD 3.33Å; H354-A389 HydrophobicContact CB-CB 4.48Å; H354-A389 VanDerWaalsContact O-CA 3.32Å; H354-A389 WeakPolarHBondContact O-CA 3.15Å; H354-T390 PolarHBondContact O-N 3.29Å; H354-T390 VanDerWaalsContact O-N 3.14Å |
| 355 | N | 80.4 | Confident | 77 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 20% | 0.198 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -82.1 | 104 | 176.2 | -175.7 | -12.3 | 0 | 0 | 0 | 111 | N352 H357 E358 W359 | N352-N355 HydrophobicContact CB-CB 4.05Å; N352-N355 WeakPolarHBondContact O-CB 3.37Å; N352-N355 PolarHBondContact O-N 3.32Å; N355-H357 VanDerWaalsContact C-N 3.28Å; N355-H357 PolarHBondContact O-N 2.98Å; N355-H357 PolarHBondContact OD1-N 3.19Å; N355-E358 HydrophobicContact CB-CG 4.48Å; N355-E358 PolarHBondContact O-N 2.85Å; N355-W359 VanDerWaalsContact O-CD1 3.29Å |
| 356 | V | 76.8 | Confident | 76.8 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -30.4 | -175 | -176 | 0 | 0 | 0 | 0 | 112.2 | H354 W359 H360 V384 A389 T390 P393 L396 | H354-V356 PolarHBondContact O-N 3.36Å; V356-W359 PolarHBondContact O-N 3.39Å; V356-H360 PolarHBondContact O-CD2 3.02Å; V356-H360 PolarHBondContact O-N 3.1Å; V356-V384 HydrophobicContact CG2-CG1 4.06Å; V356-A389 HydrophobicContact CG2-CB 4.28Å; V356-T390 PolarHBondContact N-O 2.97Å; V356-P393 HydrophobicContact CG2-CG 4.47Å; V356-L396 HydrophobicContact CG1-CB 4.06Å |
| 357 | H | 78.7 | Confident | 76.3 | Confident | 111 Ų | 111 | 56.6 Ų | 56.6 | 51% | 0.514 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.5 | -34.3 | -177.5 | -174.1 | 66.2 | 0 | 0 | 0 | 112.6 | N355 H360 K361 | N355-H357 VanDerWaalsContact C-N 3.28Å; N355-H357 PolarHBondContact O-N 2.98Å; N355-H357 PolarHBondContact OD1-N 3.19Å; H357-H360 PolarHBondContact O-N 3.48Å; H357-K361 VanDerWaalsContact NE2-CE 3.25Å; H357-K361 WeakPolarHBondContact NE2-CE 3.34Å; H357-K361 PolarHBondContact O-N 2.97Å; H357-K361 VanDerWaalsContact O-N 3.08Å |
| 358 | E | 77.8 | Confident | 76.1 | Confident | 19 Ų | 19 | 59.9 Ų | 59.9 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.6 | -32.2 | 175.8 | -65.6 | -53.8 | 132.9 | 0 | 0 | 112.1 | N345 L348 L349 N355 K361 R362 | N345-E358 PolarHBondContact ND2-O 2.97Å; N345-E358 PolarHBondContact ND2-OE2 2.91Å; L348-E358 HydrophobicContact CB-CG 4.31Å; L349-E358 HydrophobicContact CD2-CB 3.7Å; L349-E358 HydrophobicContact CG-CB 4.33Å; N355-E358 HydrophobicContact CB-CG 4.48Å; N355-E358 PolarHBondContact O-N 2.85Å; E358-K361 PolarHBondContact O-N 2.86Å; E358-K361 IonicContact OE1-NZ 3.83Å; E358-K361 PolarHBondContact OE1-NZ 3.31Å; E358-K361 WeakPolarHBondContact OE2-CD 3.28Å; E358-K361 IonicContact OE2-NZ 3.26Å; E358-R362 PolarHBondContact O-N 3.41Å |
| 359 | W | 82.3 | Confident | 76.3 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 5% | 0.045 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 170.1 | -74.7 | 111 | 0 | 0 | 0 | 112.3 | L349 P353 N355 V356 K361 R362 V363 T376 E379 A380 T383 L396 | L349-W359 HydrophobicContact CD1-CD2 3.82Å; L349-W359 HydrophobicContact CD1-CE3 3.75Å; L349-W359 HydrophobicContact CD1-CH2 3.99Å; L349-W359 HydrophobicContact CD1-CZ2 4.02Å; L349-W359 HydrophobicContact CD1-CZ3 3.88Å; L349-W359 HydrophobicContact CD2-CD2 3.79Å; L349-W359 HydrophobicContact CD2-CG 3.85Å; L349-W359 HydrophobicContact CD2-CZ2 4.23Å; L349-W359 HydrophobicContact CG-CD2 4.47Å; P353-W359 PolarHBondContact O-NE1 2.91Å; N355-W359 VanDerWaalsContact O-CD1 3.29Å; V356-W359 PolarHBondContact O-N 3.39Å; W359-K361 PolarHBondContact O-N 3.16Å; W359-R362 WeakPolarHBondContact O-CB 3.44Å; W359-R362 PolarHBondContact O-N 3.04Å; W359-V363 PolarHBondContact O-N 2.69Å; W359-V363 VanDerWaalsContact O-N 3.09Å; W359-T376 WeakPolarHBondContact CZ3-O 3.49Å; W359-E379 HydrophobicContact CH2-CB 3.83Å; W359-E379 HydrophobicContact CZ3-CB 3.99Å; W359-A380 HydrophobicContact CB-CB 4.13Å; W359-A380 HydrophobicContact CD2-CB 3.4Å; W359-A380 VanDerWaalsContact CD2-CB 3.4Å; W359-A380 HydrophobicContact CE3-CB 3.5Å; W359-A380 HydrophobicContact CG-CB 3.69Å; W359-A380 HydrophobicContact CH2-CB 4.45Å; W359-A380 HydrophobicContact CZ2-CB 4.41Å; W359-A380 HydrophobicContact CZ3-CB 4.01Å; W359-T383 VanDerWaalsContact CZ2-OG1 3.22Å; W359-T383 WeakPolarHBondContact CZ2-OG1 3.19Å; W359-L396 HydrophobicContact CB-CD1 4.08Å |
| 360 | H | 79.8 | Confident | 76.5 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 19% | 0.185 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 172.9 | -77.7 | -69.4 | 0 | 0 | 0 | 112.9 | V356 H357 R362 V363 K364 S395 S399 | V356-H360 PolarHBondContact O-CD2 3.02Å; V356-H360 PolarHBondContact O-N 3.1Å; H357-H360 PolarHBondContact O-N 3.48Å; H360-R362 VanDerWaalsContact C-N 3.33Å; H360-V363 PolarHBondContact O-N 2.98Å; H360-K364 PolarHBondContact O-N 3.26Å; H360-K364 VanDerWaalsContact O-N 3.16Å; H360-S395 PolarHBondContact CE1-O 2.72Å; H360-S395 PolarHBondContact NE2-OG 2.72Å; H360-S399 PolarHBondContact CE1-OG 3.25Å |
| 361 | K | 79.7 | Confident | 76.7 | Confident | 86 Ų | 86 | 68.8 Ų | 68.8 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 172.6 | -73.4 | 174.4 | -177 | 166.9 | 0 | 111.6 | H357 E358 W359 V363 K364 L365 | H357-K361 VanDerWaalsContact NE2-CE 3.25Å; H357-K361 WeakPolarHBondContact NE2-CE 3.34Å; H357-K361 PolarHBondContact O-N 2.97Å; H357-K361 VanDerWaalsContact O-N 3.08Å; E358-K361 PolarHBondContact O-N 2.86Å; E358-K361 IonicContact OE1-NZ 3.83Å; E358-K361 PolarHBondContact OE1-NZ 3.31Å; E358-K361 WeakPolarHBondContact OE2-CD 3.28Å; E358-K361 IonicContact OE2-NZ 3.26Å; W359-K361 PolarHBondContact O-N 3.16Å; K361-V363 VanDerWaalsContact C-N 3.31Å; K361-V363 PolarHBondContact O-N 3.06Å; K361-K364 PolarHBondContact O-N 2.82Å; K361-L365 VanDerWaalsContact O-CG 3.32Å; K361-L365 WeakPolarHBondContact O-CG 3.4Å; K361-L365 PolarHBondContact O-N 2.77Å |
| 362 | R | 78.7 | Confident | 77.1 | Confident | 36 Ų | 36 | 69.5 Ų | 69.5 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.8 | -45.3 | 176.6 | -162.6 | 164.1 | 176.9 | -148.6 | -11.3 | 111.6 | N345 E358 W359 H360 L365 Y366 T376 E379 | N345-R362 WeakPolarHBondContact OD1-CB 3.38Å; N345-R362 WeakPolarHBondContact OD1-CD 3.46Å; N345-R362 VanDerWaalsContact OD1-CG 3.3Å; N345-R362 WeakPolarHBondContact OD1-CG 3.23Å; E358-R362 PolarHBondContact O-N 3.41Å; W359-R362 WeakPolarHBondContact O-CB 3.44Å; W359-R362 PolarHBondContact O-N 3.04Å; H360-R362 VanDerWaalsContact C-N 3.33Å; R362-L365 PolarHBondContact O-N 3.32Å; R362-Y366 HydrophobicContact CG-CD2 4.05Å; R362-Y366 HydrophobicContact CG-CE2 3.67Å; R362-Y366 WeakPolarHBondContact O-CD2 3.34Å; R362-Y366 PolarHBondContact O-N 3.36Å; R362-T376 HydrophobicContact CG-CG2 4.26Å; R362-E379 IonicContact CZ-OE2 2.93Å; R362-E379 IonicContact NH1-OE2 2.77Å; R362-E379 PolarHBondContact NH1-OE2 2.71Å; R362-E379 IonicContact NH2-OE2 2.73Å; R362-E379 PolarHBondContact NH2-OE2 2.96Å |
| 363 | V | 76.1 | Confident | 77.4 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | W359 H360 K361 L365 Y366 E367 I373 Y377 | W359-V363 PolarHBondContact O-N 2.69Å; W359-V363 VanDerWaalsContact O-N 3.09Å; H360-V363 PolarHBondContact O-N 2.98Å; K361-V363 VanDerWaalsContact C-N 3.31Å; K361-V363 PolarHBondContact O-N 3.06Å; V363-L365 VanDerWaalsContact C-N 3.27Å; V363-L365 PolarHBondContact O-N 3Å; V363-Y366 CarbonylContact O-C 3.35Å; V363-Y366 PolarHBondContact O-N 2.81Å; V363-E367 PolarHBondContact O-N 3.48Å; V363-I373 HydrophobicContact CG1-CG2 3.99Å; V363-Y377 HydrophobicContact CB-CE2 4.33Å; V363-Y377 HydrophobicContact CG1-CE2 3.68Å; V363-Y377 HydrophobicContact CG2-CD1 4.14Å; V363-Y377 HydrophobicContact CG2-CD2 4Å; V363-Y377 HydrophobicContact CG2-CE1 3.82Å; V363-Y377 HydrophobicContact CG2-CE2 3.7Å; V363-Y377 HydrophobicContact CG2-CG 4.23Å |
| 364 | K | 79.1 | Confident | 77.6 | Confident | 142 Ų | 142 | 65.6 Ų | 65.6 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.1 | -36.1 | 176.2 | -67.9 | -171.9 | 174.3 | -160.5 | 0 | 113 | H360 K361 Y366 E367 | H360-K364 PolarHBondContact O-N 3.26Å; H360-K364 VanDerWaalsContact O-N 3.16Å; K361-K364 PolarHBondContact O-N 2.82Å; K364-Y366 PolarHBondContact O-N 3.41Å; K364-E367 WeakPolarHBondContact CA-OE1 3.35Å; K364-E367 WeakPolarHBondContact CB-OE1 3.19Å; K364-E367 WeakPolarHBondContact O-CB 3.47Å; K364-E367 VanDerWaalsContact O-CG 3.25Å; K364-E367 WeakPolarHBondContact O-CG 3.45Å; K364-E367 PolarHBondContact O-N 3.32Å |
| 365 | L | 76.8 | Confident | 78 | Confident | 80 Ų | 80 | 67.2 Ų | 67.2 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -10 | 175.2 | -66.3 | 170.7 | 0 | 0 | 0 | 113.9 | P341 L342 N345 K361 R362 V363 | P341-L365 HydrophobicContact CB-CD1 4.04Å; P341-L365 HydrophobicContact CB-CD2 3.95Å; L342-L365 HydrophobicContact CD2-CB 3.59Å; L342-L365 HydrophobicContact CD2-CD1 4.34Å; N345-L365 HydrophobicContact CB-CD1 4.34Å; K361-L365 VanDerWaalsContact O-CG 3.32Å; K361-L365 WeakPolarHBondContact O-CG 3.4Å; K361-L365 PolarHBondContact O-N 2.77Å; R362-L365 PolarHBondContact O-N 3.32Å; V363-L365 VanDerWaalsContact C-N 3.27Å; V363-L365 PolarHBondContact O-N 3Å |
| 366 | Y | 74.7 | Confident | 78 | Confident | 39 Ų | 39 | 65.7 Ų | 65.7 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 12.9 | 173.5 | -72.3 | -63.5 | 0 | 0 | 0 | 113.5 | L342 R362 V363 K364 G368 N369 Q372 I373 T376 | L342-Y366 HydrophobicContact CD1-CE1 3.92Å; L342-Y366 HydrophobicContact CD2-CD1 4.24Å; L342-Y366 HydrophobicContact CD2-CD2 4.33Å; L342-Y366 HydrophobicContact CD2-CE1 3.85Å; L342-Y366 HydrophobicContact CD2-CE2 3.93Å; L342-Y366 HydrophobicContact CD2-CG 4.48Å; R362-Y366 HydrophobicContact CG-CD2 4.05Å; R362-Y366 HydrophobicContact CG-CE2 3.67Å; R362-Y366 WeakPolarHBondContact O-CD2 3.34Å; R362-Y366 PolarHBondContact O-N 3.36Å; V363-Y366 CarbonylContact O-C 3.35Å; V363-Y366 PolarHBondContact O-N 2.81Å; K364-Y366 PolarHBondContact O-N 3.41Å; Y366-G368 PolarHBondContact O-N 3.42Å; Y366-G368 VanDerWaalsContact O-N 3.16Å; Y366-N369 PolarHBondContact O-N 2.98Å; Y366-Q372 HydrophobicContact CD1-CB 3.96Å; Y366-Q372 HydrophobicContact CE1-CB 4.31Å; Y366-Q372 HydrophobicContact CG-CB 4.2Å; Y366-I373 WeakPolarHBondContact O-CD1 3.34Å; Y366-T376 HydrophobicContact CD2-CG2 3.72Å; Y366-T376 HydrophobicContact CE2-CG2 3.46Å; Y366-T376 VanDerWaalsContact CE2-CG2 3.46Å |
| 367 | E | 66.6 | Low | 78.1 | Confident | 149 Ų | 149 | 66 Ų | 66 | 70% | 0.696 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 121 | 171.7 | -78.3 | 169.2 | -154.1 | 0 | 0 | 110.1 | V363 K364 | V363-E367 PolarHBondContact O-N 3.48Å; K364-E367 WeakPolarHBondContact CA-OE1 3.35Å; K364-E367 WeakPolarHBondContact CB-OE1 3.19Å; K364-E367 WeakPolarHBondContact O-CB 3.47Å; K364-E367 VanDerWaalsContact O-CG 3.25Å; K364-E367 WeakPolarHBondContact O-CG 3.45Å; K364-E367 PolarHBondContact O-N 3.32Å |
| 368 | G | 69.9 | Low | 78.4 | Confident | 68 Ų | 68 | 63.2 Ų | 63.2 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.2 | -20.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y366 P370 | Y366-G368 PolarHBondContact O-N 3.42Å; Y366-G368 VanDerWaalsContact O-N 3.16Å; G368-P370 WeakPolarHBondContact O-CD 3.35Å |
| 369 | N | 78 | Confident | 78.5 | Confident | 88 Ų | 88 | 66 Ų | 66 | 47% | 0.471 | 33% | 0.33 | S | S | . | . | trans | -119.3 | 83.3 | -179.3 | -79.6 | -24.6 | 0 | 0 | 0 | 113.2 | Y366 R371 Q372 I373 | Y366-N369 PolarHBondContact O-N 2.98Å; N369-R371 VanDerWaalsContact C-N 3.28Å; N369-R371 PolarHBondContact O-N 2.93Å; N369-R371 VanDerWaalsContact O-N 3.1Å; N369-Q372 HydrophobicContact CB-CB 4.04Å; N369-Q372 HydrophobicContact CB-CG 4.25Å; N369-Q372 PolarHBondContact ND2-OE1 2.95Å; N369-Q372 PolarHBondContact O-N 2.93Å; N369-I373 PolarHBondContact O-N 3.05Å; N369-I373 VanDerWaalsContact O-N 3.08Å | ||
| 370 | P | 78.4 | Confident | 78.4 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.2 | -39.8 | -176.7 | -31.2 | 36.5 | 0 | 0 | 0 | 115.2 | G368 Q372 I373 I374 F403 | G368-P370 WeakPolarHBondContact O-CD 3.35Å; P370-Q372 PolarHBondContact O-N 2.95Å; P370-I373 PolarHBondContact O-N 2.99Å; P370-I374 WeakPolarHBondContact O-CG1 3.22Å; P370-I374 PolarHBondContact O-N 3.4Å; P370-F403 HydrophobicContact CB-CZ 3.99Å |
| 371 | R | 80.1 | Confident | 78.4 | Confident | 205 Ų | 205 | 65.6 Ų | 65.6 | 77% | 0.774 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.8 | -33.7 | 179.8 | -170.2 | 173.3 | -177.4 | 151.7 | 0.9 | 113.2 | N369 N375 | N369-R371 VanDerWaalsContact C-N 3.28Å; N369-R371 PolarHBondContact O-N 2.93Å; N369-R371 VanDerWaalsContact O-N 3.1Å; R371-N375 PolarHBondContact O-N 3.25Å; R371-N375 VanDerWaalsContact O-N 3.15Å; R371-N375 PolarHBondContact O-OD1 3.38Å |
| 372 | Q | 78.5 | Confident | 78.5 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -75.9 | -37.2 | 175.9 | -69.9 | 179 | -18.8 | 0 | 0 | 110.7 | Y366 N369 P370 N375 T376 | Y366-Q372 HydrophobicContact CD1-CB 3.96Å; Y366-Q372 HydrophobicContact CE1-CB 4.31Å; Y366-Q372 HydrophobicContact CG-CB 4.2Å; N369-Q372 HydrophobicContact CB-CB 4.04Å; N369-Q372 HydrophobicContact CB-CG 4.25Å; N369-Q372 PolarHBondContact ND2-OE1 2.95Å; N369-Q372 PolarHBondContact O-N 2.93Å; P370-Q372 PolarHBondContact O-N 2.95Å; Q372-N375 PolarHBondContact O-N 3.41Å; Q372-T376 VanDerWaalsContact O-CG2 3.22Å; Q372-T376 WeakPolarHBondContact O-CG2 3.49Å; Q372-T376 PolarHBondContact O-N 3.16Å; Q372-T376 PolarHBondContact O-OG1 3.43Å |
| 373 | I | 80.3 | Confident | 78.4 | Confident | 9 Ų | 9 | 70.3 Ų | 70.3 | 5% | 0.046 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.9 | -51.4 | 171.7 | -66.6 | 169 | 0 | 0 | 0 | 110.5 | V363 Y366 N369 P370 N375 T376 Y377 F403 | V363-I373 HydrophobicContact CG1-CG2 3.99Å; Y366-I373 WeakPolarHBondContact O-CD1 3.34Å; N369-I373 PolarHBondContact O-N 3.05Å; N369-I373 VanDerWaalsContact O-N 3.08Å; P370-I373 PolarHBondContact O-N 2.99Å; I373-N375 PolarHBondContact O-N 3.06Å; I373-T376 PolarHBondContact O-N 2.97Å; I373-T376 PolarHBondContact O-OG1 2.91Å; I373-Y377 HydrophobicContact CG2-CD2 3.58Å; I373-Y377 HydrophobicContact CG2-CE2 3.54Å; I373-Y377 WeakPolarHBondContact O-CD2 3.36Å; I373-Y377 PolarHBondContact O-N 3.44Å; I373-F403 HydrophobicContact CB-CE1 4.39Å; I373-F403 HydrophobicContact CB-CE2 4.33Å; I373-F403 HydrophobicContact CB-CZ 4.06Å; I373-F403 HydrophobicContact CD1-CE2 3.75Å; I373-F403 HydrophobicContact CD1-CZ 4.1Å; I373-F403 HydrophobicContact CG2-CD1 4Å; I373-F403 HydrophobicContact CG2-CD2 3.96Å; I373-F403 HydrophobicContact CG2-CE1 3.87Å; I373-F403 HydrophobicContact CG2-CE2 3.83Å; I373-F403 HydrophobicContact CG2-CG 4.04Å; I373-F403 HydrophobicContact CG2-CZ 3.78Å |
| 374 | I | 81.3 | Confident | 78.4 | Confident | 45 Ų | 45 | 70.3 Ų | 70.3 | 23% | 0.231 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.5 | -66 | 164.9 | 0 | 0 | 0 | 111.3 | P370 T376 Y377 T378 F403 | P370-I374 WeakPolarHBondContact O-CG1 3.22Å; P370-I374 PolarHBondContact O-N 3.4Å; I374-T376 VanDerWaalsContact C-N 3.35Å; I374-T376 PolarHBondContact O-N 3.22Å; I374-Y377 PolarHBondContact O-N 3.01Å; I374-T378 HydrophobicContact CG2-CG2 4.41Å; I374-T378 WeakPolarHBondContact O-CG2 3.4Å; I374-T378 PolarHBondContact O-N 3.23Å; I374-T378 PolarHBondContact O-OG1 3.02Å; I374-F403 HydrophobicContact CD1-CE1 4.34Å; I374-F403 HydrophobicContact CG1-CD1 4.49Å; I374-F403 HydrophobicContact CG1-CE1 3.88Å |
| 375 | N | 83.3 | Confident | 78.1 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.1 | -47.6 | 177.4 | -76.4 | 6.3 | 0 | 0 | 0 | 111.5 | R371 Q372 I373 Y377 T378 E379 | R371-N375 PolarHBondContact O-N 3.25Å; R371-N375 VanDerWaalsContact O-N 3.15Å; R371-N375 PolarHBondContact O-OD1 3.38Å; Q372-N375 PolarHBondContact O-N 3.41Å; I373-N375 PolarHBondContact O-N 3.06Å; N375-Y377 PolarHBondContact O-N 3.25Å; N375-T378 WeakPolarHBondContact CA-OG1 3.5Å; N375-T378 PolarHBondContact O-N 2.69Å; N375-T378 PolarHBondContact O-OG1 3.08Å; N375-E379 WeakPolarHBondContact O-CG 3.41Å; N375-E379 PolarHBondContact O-N 3.1Å |
| 376 | T | 80.3 | Confident | 77.8 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 3% | 0.025 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66 | -36.6 | -179 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | W359 R362 Y366 Q372 I373 I374 A380 | W359-T376 WeakPolarHBondContact CZ3-O 3.49Å; R362-T376 HydrophobicContact CG-CG2 4.26Å; Y366-T376 HydrophobicContact CD2-CG2 3.72Å; Y366-T376 HydrophobicContact CE2-CG2 3.46Å; Y366-T376 VanDerWaalsContact CE2-CG2 3.46Å; Q372-T376 VanDerWaalsContact O-CG2 3.22Å; Q372-T376 WeakPolarHBondContact O-CG2 3.49Å; Q372-T376 PolarHBondContact O-N 3.16Å; Q372-T376 PolarHBondContact O-OG1 3.43Å; I373-T376 PolarHBondContact O-N 2.97Å; I373-T376 PolarHBondContact O-OG1 2.91Å; I374-T376 VanDerWaalsContact C-N 3.35Å; I374-T376 PolarHBondContact O-N 3.22Å; T376-A380 VanDerWaalsContact O-CB 3.27Å; T376-A380 WeakPolarHBondContact O-CB 3.47Å; T376-A380 PolarHBondContact O-N 3.23Å |
| 377 | Y | 79.9 | Confident | 77.5 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 4% | 0.039 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 171.7 | -84.1 | -61.3 | 0 | 0 | 0 | 112.4 | V363 I373 I374 N375 A380 V381 L396 S399 F400 F403 | V363-Y377 HydrophobicContact CB-CE2 4.33Å; V363-Y377 HydrophobicContact CG1-CE2 3.68Å; V363-Y377 HydrophobicContact CG2-CD1 4.14Å; V363-Y377 HydrophobicContact CG2-CD2 4Å; V363-Y377 HydrophobicContact CG2-CE1 3.82Å; V363-Y377 HydrophobicContact CG2-CE2 3.7Å; V363-Y377 HydrophobicContact CG2-CG 4.23Å; I373-Y377 HydrophobicContact CG2-CD2 3.58Å; I373-Y377 HydrophobicContact CG2-CE2 3.54Å; I373-Y377 WeakPolarHBondContact O-CD2 3.36Å; I373-Y377 PolarHBondContact O-N 3.44Å; I374-Y377 PolarHBondContact O-N 3.01Å; N375-Y377 PolarHBondContact O-N 3.25Å; Y377-A380 PolarHBondContact O-N 3.4Å; Y377-V381 WeakPolarHBondContact O-CB 3.41Å; Y377-V381 WeakPolarHBondContact O-CG2 3.35Å; Y377-V381 PolarHBondContact O-N 2.72Å; Y377-L396 HydrophobicContact CD1-CD1 3.79Å; Y377-L396 HydrophobicContact CD1-CG 4.3Å; Y377-L396 HydrophobicContact CE1-CD1 3.88Å; Y377-S399 VanDerWaalsContact CE1-OG 3.23Å; Y377-S399 WeakPolarHBondContact CE1-OG 3.48Å; Y377-S399 VanDerWaalsContact OH-CB 3.23Å; Y377-S399 WeakPolarHBondContact OH-CB 3.44Å; Y377-S399 PolarHBondContact OH-OG 2.91Å; Y377-F400 HydrophobicContact CD1-CB 3.82Å; Y377-F400 HydrophobicContact CD1-CD2 4.08Å; Y377-F400 HydrophobicContact CD1-CG 4.17Å; Y377-F400 HydrophobicContact CD2-CB 4.4Å; Y377-F400 AromaticContact CD2-CD2 3.43Å; Y377-F400 HydrophobicContact CD2-CD2 3.43Å; Y377-F400 VanDerWaalsContact CD2-CD2 3.43Å; Y377-F400 HydrophobicContact CD2-CE2 4.05Å; Y377-F400 HydrophobicContact CD2-CG 4.29Å; Y377-F400 HydrophobicContact CE1-CB 4.05Å; Y377-F400 HydrophobicContact CE2-CD2 4.19Å; Y377-F400 HydrophobicContact CG-CB 4.01Å; Y377-F400 AromaticContact CG-CD2 3.35Å; Y377-F400 HydrophobicContact CG-CD2 3.35Å; Y377-F400 AromaticContact CG-CE2 3.94Å; Y377-F400 HydrophobicContact CG-CE2 3.94Å; Y377-F400 AromaticContact CG-CG 3.89Å; Y377-F400 HydrophobicContact CG-CG 3.89Å; Y377-F403 HydrophobicContact CE2-CB 4.42Å |
| 378 | T | 83.9 | Confident | 77.6 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 175.9 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | I374 N375 Q382 F400 | I374-T378 HydrophobicContact CG2-CG2 4.41Å; I374-T378 WeakPolarHBondContact O-CG2 3.4Å; I374-T378 PolarHBondContact O-N 3.23Å; I374-T378 PolarHBondContact O-OG1 3.02Å; N375-T378 WeakPolarHBondContact CA-OG1 3.5Å; N375-T378 PolarHBondContact O-N 2.69Å; N375-T378 PolarHBondContact O-OG1 3.08Å; T378-Q382 VanDerWaalsContact O-CG 3.29Å; T378-Q382 WeakPolarHBondContact O-CG 3.4Å; T378-Q382 PolarHBondContact O-N 2.89Å; T378-Q382 VanDerWaalsContact O-N 3.08Å; T378-F400 HydrophobicContact CG2-CZ 4.02Å |
| 379 | E | 80.9 | Confident | 77.6 | Confident | 78 Ų | 78 | 64.2 Ų | 64.2 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 169.6 | -74.2 | 171.3 | -160.9 | 0 | 0 | 111 | W359 R362 N375 V381 Q382 T383 | W359-E379 HydrophobicContact CH2-CB 3.83Å; W359-E379 HydrophobicContact CZ3-CB 3.99Å; R362-E379 IonicContact CZ-OE2 2.93Å; R362-E379 IonicContact NH1-OE2 2.77Å; R362-E379 PolarHBondContact NH1-OE2 2.71Å; R362-E379 IonicContact NH2-OE2 2.73Å; R362-E379 PolarHBondContact NH2-OE2 2.96Å; N375-E379 WeakPolarHBondContact O-CG 3.41Å; N375-E379 PolarHBondContact O-N 3.1Å; E379-V381 PolarHBondContact O-N 3.49Å; E379-Q382 PolarHBondContact O-N 3.08Å; E379-T383 WeakPolarHBondContact O-CB 3.46Å; E379-T383 WeakPolarHBondContact O-CG2 3.31Å; E379-T383 PolarHBondContact O-N 2.86Å; E379-T383 PolarHBondContact O-OG1 3Å |
| 380 | A | 81 | Confident | 76.7 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | W359 T376 Y377 Q382 T383 V384 L396 | W359-A380 HydrophobicContact CB-CB 4.13Å; W359-A380 HydrophobicContact CD2-CB 3.4Å; W359-A380 VanDerWaalsContact CD2-CB 3.4Å; W359-A380 HydrophobicContact CE3-CB 3.5Å; W359-A380 HydrophobicContact CG-CB 3.69Å; W359-A380 HydrophobicContact CH2-CB 4.45Å; W359-A380 HydrophobicContact CZ2-CB 4.41Å; W359-A380 HydrophobicContact CZ3-CB 4.01Å; T376-A380 VanDerWaalsContact O-CB 3.27Å; T376-A380 WeakPolarHBondContact O-CB 3.47Å; T376-A380 PolarHBondContact O-N 3.23Å; Y377-A380 PolarHBondContact O-N 3.4Å; A380-Q382 VanDerWaalsContact C-N 3.29Å; A380-Q382 PolarHBondContact O-N 2.93Å; A380-T383 PolarHBondContact O-N 3.34Å; A380-T383 PolarHBondContact O-OG1 3.34Å; A380-V384 WeakPolarHBondContact O-CB 3.42Å; A380-V384 WeakPolarHBondContact O-CG2 3.31Å; A380-V384 PolarHBondContact O-N 3.4Å; A380-L396 HydrophobicContact CB-CD1 3.86Å; A380-L396 HydrophobicContact CB-CD2 3.66Å; A380-L396 HydrophobicContact CB-CG 4.32Å |
| 381 | V | 79.5 | Confident | 76 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 26% | 0.255 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.7 | -33.5 | 178 | 160.5 | 0 | 0 | 0 | 0 | 112.5 | Y377 E379 L396 W397 | Y377-V381 WeakPolarHBondContact O-CB 3.41Å; Y377-V381 WeakPolarHBondContact O-CG2 3.35Å; Y377-V381 PolarHBondContact O-N 2.72Å; E379-V381 PolarHBondContact O-N 3.49Å; V381-L396 HydrophobicContact CG2-CD2 4.09Å; V381-W397 HydrophobicContact CB-CH2 4.39Å; V381-W397 HydrophobicContact CB-CZ2 4.25Å; V381-W397 HydrophobicContact CG1-CH2 3.42Å; V381-W397 VanDerWaalsContact CG1-CH2 3.42Å; V381-W397 HydrophobicContact CG1-CZ2 3.42Å; V381-W397 VanDerWaalsContact CG1-CZ2 3.42Å; V381-W397 HydrophobicContact CG1-CZ3 4.31Å; V381-W397 HydrophobicContact CG2-CD2 4.26Å; V381-W397 HydrophobicContact CG2-CE3 4.37Å; V381-W397 HydrophobicContact CG2-CH2 4.01Å; V381-W397 HydrophobicContact CG2-CZ2 3.85Å; V381-W397 HydrophobicContact CG2-CZ3 4.25Å |
| 382 | Q | 80.8 | Confident | 75.6 | Confident | 165 Ų | 165 | 60 Ų | 60 | 77% | 0.771 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -79.5 | -25.9 | 177.2 | -71.7 | 176 | 15.9 | 0 | 0 | 113.7 | T378 E379 A380 | T378-Q382 VanDerWaalsContact O-CG 3.29Å; T378-Q382 WeakPolarHBondContact O-CG 3.4Å; T378-Q382 PolarHBondContact O-N 2.89Å; T378-Q382 VanDerWaalsContact O-N 3.08Å; E379-Q382 PolarHBondContact O-N 3.08Å; A380-Q382 VanDerWaalsContact C-N 3.29Å; A380-Q382 PolarHBondContact O-N 2.93Å |
| 383 | T | 76.4 | Confident | 75.5 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -102.7 | -20.3 | -172.6 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | H354 W359 E379 A380 D385 | H354-T383 PolarHBondContact CE1-O 3.27Å; H354-T383 PolarHBondContact ND1-O 3.08Å; W359-T383 VanDerWaalsContact CZ2-OG1 3.22Å; W359-T383 WeakPolarHBondContact CZ2-OG1 3.19Å; E379-T383 WeakPolarHBondContact O-CB 3.46Å; E379-T383 WeakPolarHBondContact O-CG2 3.31Å; E379-T383 PolarHBondContact O-N 2.86Å; E379-T383 PolarHBondContact O-OG1 3Å; A380-T383 PolarHBondContact O-N 3.34Å; A380-T383 PolarHBondContact O-OG1 3.34Å; T383-D385 PolarHBondContact O-N 3.32Å |
| 384 | V | 76.8 | Confident | 75.1 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | trans | -86.3 | 98.4 | -179.5 | 177 | 0 | 0 | 0 | 0 | 110.9 | V356 A380 P386 A389 | V356-V384 HydrophobicContact CG2-CG1 4.06Å; A380-V384 WeakPolarHBondContact O-CB 3.42Å; A380-V384 WeakPolarHBondContact O-CG2 3.31Å; A380-V384 PolarHBondContact O-N 3.4Å; V384-P386 VanDerWaalsContact O-CD 3.28Å; V384-P386 WeakPolarHBondContact O-CD 3.39Å; V384-A389 HydrophobicContact CG1-CB 3.81Å | ||
| 385 | D | 72.7 | Confident | 75.1 | Confident | 70 Ų | 70 | 56.8 Ų | 56.8 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | trans | -65 | 114.9 | 166.6 | -87.7 | -20.9 | 0 | 0 | 0 | 110.4 | H354 T383 M387 K388 A389 | H354-D385 IonicContact CE1-OD2 2.79Å; H354-D385 PolarHBondContact ND1-N 3.36Å; H354-D385 IonicContact NE2-OD2 2.73Å; T383-D385 PolarHBondContact O-N 3.32Å; D385-M387 PolarHBondContact O-N 3.16Å; D385-K388 HydrophobicContact CB-CB 4.11Å; D385-K388 HydrophobicContact CB-CD 4.08Å; D385-K388 HydrophobicContact CB-CG 4.22Å; D385-K388 PolarHBondContact O-N 2.99Å; D385-K388 VanDerWaalsContact O-N 3.08Å; D385-K388 WeakPolarHBondContact OD2-CD 3.48Å; D385-K388 WeakPolarHBondContact OD2-CE 3.3Å; D385-K388 IonicContact OD2-NZ 3.04Å; D385-K388 PolarHBondContact OD2-NZ 3.16Å; D385-A389 WeakPolarHBondContact O-CB 3.24Å; D385-A389 PolarHBondContact O-N 3.25Å | ||
| 386 | P | 69.6 | Low | 75.1 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.5 | -175.7 | -19.6 | 29.8 | 0 | 0 | 0 | 114.5 | V384 V423 N424 Y425 | V384-P386 VanDerWaalsContact O-CD 3.28Å; V384-P386 WeakPolarHBondContact O-CD 3.39Å; P386-V423 HydrophobicContact CB-CG1 4.26Å; P386-V423 HydrophobicContact CG-CG1 3.37Å; P386-N424 WeakPolarHBondContact CB-O 3.32Å; P386-Y425 HydrophobicContact CB-CD1 4.4Å |
| 387 | M | 68.7 | Low | 75.2 | Confident | 101 Ų | 101 | 54 Ų | 54 | 50% | 0.498 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -28.7 | 178.3 | -67.4 | -64.1 | 172.6 | 0 | 0 | 113.4 | D385 Y425 K426 | D385-M387 PolarHBondContact O-N 3.16Å; M387-Y425 WeakPolarHBondContact CE-O 3.38Å; M387-K426 HydrophobicContact SD-CB 4.24Å; M387-K426 HydrophobicContact SD-CG 4.5Å |
| 388 | K | 69.8 | Low | 75.4 | Confident | 131 Ų | 131 | 54.1 Ų | 54.1 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | -14.4 | -178 | -60.3 | 174.1 | -169.8 | 153.8 | 0 | 113 | H354 D385 | H354-K388 WeakPolarHBondContact NE2-CD 3.33Å; D385-K388 HydrophobicContact CB-CB 4.11Å; D385-K388 HydrophobicContact CB-CD 4.08Å; D385-K388 HydrophobicContact CB-CG 4.22Å; D385-K388 PolarHBondContact O-N 2.99Å; D385-K388 VanDerWaalsContact O-N 3.08Å; D385-K388 WeakPolarHBondContact OD2-CD 3.48Å; D385-K388 WeakPolarHBondContact OD2-CE 3.3Å; D385-K388 IonicContact OD2-NZ 3.04Å; D385-K388 PolarHBondContact OD2-NZ 3.16Å |
| 389 | A | 69.3 | Low | 75.2 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | trans | -56.3 | 135.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | H354 V356 V384 D385 P393 | H354-A389 HydrophobicContact CB-CB 4.48Å; H354-A389 VanDerWaalsContact O-CA 3.32Å; H354-A389 WeakPolarHBondContact O-CA 3.15Å; V356-A389 HydrophobicContact CG2-CB 4.28Å; V384-A389 HydrophobicContact CG1-CB 3.81Å; D385-A389 WeakPolarHBondContact O-CB 3.24Å; D385-A389 PolarHBondContact O-N 3.25Å; A389-P393 HydrophobicContact CB-CG 3.65Å | ||
| 390 | T | 58.6 | Low | 75.2 | Confident | 79 Ų | 79 | 49.8 Ų | 49.8 | 49% | 0.485 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -101.3 | 119.3 | 169.9 | 51 | 0 | 0 | 0 | 0 | 108.5 | H354 V356 | H354-T390 PolarHBondContact O-N 3.29Å; H354-T390 VanDerWaalsContact O-N 3.14Å; V356-T390 PolarHBondContact N-O 2.97Å |
| 391 | G | 64.2 | Low | 75.2 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 114.3 | -156.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P393 | G391-P393 WeakPolarHBondContact O-CD 3.22Š|
| 392 | K | 72.9 | Confident | 75.3 | Confident | 132 Ų | 132 | 50.9 Ų | 50.9 | 57% | 0.574 | 28% | 0.275 | S | S | * | . | trans | -110.3 | 95.7 | -176.9 | -77.9 | 178.9 | 167.8 | -168.8 | 0 | 110.1 | H394 S395 | K392-H394 PolarHBondContact O-N 2.69Å; K392-S395 WeakPolarHBondContact O-CB 3.47Å; K392-S395 PolarHBondContact O-N 3.28Å; K392-S395 PolarHBondContact O-OG 2.84Å | ||
| 393 | P | 76 | Confident | 75.4 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63 | -27.6 | -174.1 | -23.2 | 35.5 | 0 | 0 | 0 | 113.4 | V356 A389 G391 S395 L396 Y425 | V356-P393 HydrophobicContact CG2-CG 4.47Å; A389-P393 HydrophobicContact CB-CG 3.65Å; G391-P393 WeakPolarHBondContact O-CD 3.22Å; P393-S395 PolarHBondContact O-N 3.45Å; P393-L396 PolarHBondContact O-N 2.95Å; P393-Y425 HydrophobicContact CB-CD1 4.05Å; P393-Y425 HydrophobicContact CB-CE1 3.99Å |
| 394 | H | 71.7 | Confident | 75.6 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 13% | 0.13 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -33.8 | 172.8 | 62.9 | -99.4 | 0 | 0 | 0 | 113 | K392 L396 W397 V398 D430 V434 | K392-H394 PolarHBondContact O-N 2.69Å; H394-L396 VanDerWaalsContact C-N 3.29Å; H394-L396 PolarHBondContact O-N 2.63Å; H394-W397 PolarHBondContact O-N 3.32Å; H394-V398 WeakPolarHBondContact O-CG2 3.49Å; H394-V398 PolarHBondContact O-N 3.31Å; H394-D430 HydrophobicContact CB-CB 4.27Å; H394-D430 WeakPolarHBondContact CB-O 3.36Å; H394-D430 IonicContact CE1-OD1 2.77Å; H394-D430 PolarHBondContact CE1-OD1 3.31Å; H394-D430 VanDerWaalsContact CE1-OD1 3.23Å; H394-D430 IonicContact CG-OD1 3.98Å; H394-D430 IonicContact ND1-OD1 3.74Å; H394-D430 PolarHBondContact ND1-OD1 3.38Å; H394-V434 HydrophobicContact CB-CG2 3.67Å |
| 395 | S | 81.3 | Confident | 75.7 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -31.3 | -177.2 | 68 | 0 | 0 | 0 | 0 | 113.1 | H360 K392 P393 S399 | H360-S395 PolarHBondContact CE1-O 2.72Å; H360-S395 PolarHBondContact NE2-OG 2.72Å; K392-S395 WeakPolarHBondContact O-CB 3.47Å; K392-S395 PolarHBondContact O-N 3.28Å; K392-S395 PolarHBondContact O-OG 2.84Å; P393-S395 PolarHBondContact O-N 3.45Å; S395-S399 WeakPolarHBondContact O-CB 3.2Å; S395-S399 PolarHBondContact O-N 3.37Å; S395-S399 PolarHBondContact O-OG 3.17Å |
| 396 | L | 82 | Confident | 76.2 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 175.8 | -174.3 | 76.3 | 0 | 0 | 0 | 111.3 | V356 W359 Y377 A380 V381 P393 H394 S399 F400 | V356-L396 HydrophobicContact CG1-CB 4.06Å; W359-L396 HydrophobicContact CB-CD1 4.08Å; Y377-L396 HydrophobicContact CD1-CD1 3.79Å; Y377-L396 HydrophobicContact CD1-CG 4.3Å; Y377-L396 HydrophobicContact CE1-CD1 3.88Å; A380-L396 HydrophobicContact CB-CD1 3.86Å; A380-L396 HydrophobicContact CB-CD2 3.66Å; A380-L396 HydrophobicContact CB-CG 4.32Å; V381-L396 HydrophobicContact CG2-CD2 4.09Å; P393-L396 PolarHBondContact O-N 2.95Å; H394-L396 VanDerWaalsContact C-N 3.29Å; H394-L396 PolarHBondContact O-N 2.63Å; L396-S399 PolarHBondContact O-OG 3.11Å; L396-F400 VanDerWaalsContact O-CB 3.22Å; L396-F400 WeakPolarHBondContact O-CB 3.29Å; L396-F400 PolarHBondContact O-N 3.43Å |
| 397 | W | 83.8 | Confident | 76.8 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 9% | 0.087 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 177.5 | -73.8 | 97.9 | 0 | 0 | 0 | 112.1 | V381 H394 A401 I416 K419 A420 V423 Y425 | V381-W397 HydrophobicContact CB-CH2 4.39Å; V381-W397 HydrophobicContact CB-CZ2 4.25Å; V381-W397 HydrophobicContact CG1-CH2 3.42Å; V381-W397 VanDerWaalsContact CG1-CH2 3.42Å; V381-W397 HydrophobicContact CG1-CZ2 3.42Å; V381-W397 VanDerWaalsContact CG1-CZ2 3.42Å; V381-W397 HydrophobicContact CG1-CZ3 4.31Å; V381-W397 HydrophobicContact CG2-CD2 4.26Å; V381-W397 HydrophobicContact CG2-CE3 4.37Å; V381-W397 HydrophobicContact CG2-CH2 4.01Å; V381-W397 HydrophobicContact CG2-CZ2 3.85Å; V381-W397 HydrophobicContact CG2-CZ3 4.25Å; H394-W397 PolarHBondContact O-N 3.32Å; W397-A401 WeakPolarHBondContact O-CB 3.41Å; W397-A401 PolarHBondContact O-N 3.32Å; W397-I416 HydrophobicContact CE3-CG2 3.86Å; W397-I416 HydrophobicContact CZ3-CG2 4.19Å; W397-K419 HydrophobicContact CH2-CB 3.86Å; W397-K419 HydrophobicContact CZ3-CB 3.8Å; W397-A420 HydrophobicContact CB-CB 3.82Å; W397-A420 HydrophobicContact CD2-CB 3.53Å; W397-A420 HydrophobicContact CE3-CB 3.57Å; W397-A420 HydrophobicContact CG-CB 3.68Å; W397-A420 HydrophobicContact CZ3-CB 4.27Å; W397-V423 HydrophobicContact CH2-CG2 4.5Å; W397-V423 HydrophobicContact CZ2-CG2 3.66Å; W397-Y425 PolarHBondContact NE1-OH 3.38Å |
| 398 | V | 83 | Confident | 77.2 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 7% | 0.073 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 176.2 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | H394 A401 K402 E437 | H394-V398 WeakPolarHBondContact O-CG2 3.49Å; H394-V398 PolarHBondContact O-N 3.31Å; V398-A401 PolarHBondContact O-N 2.96Å; V398-K402 HydrophobicContact CG1-CD 4.06Å; V398-K402 WeakPolarHBondContact O-CB 3.33Å; V398-K402 WeakPolarHBondContact O-CG 3.25Å; V398-K402 PolarHBondContact O-N 2.83Å; V398-E437 HydrophobicContact CG1-CB 4.27Å; V398-E437 HydrophobicContact CG1-CG 4.04Å; V398-E437 WeakPolarHBondContact CG1-OE2 3.33Å; V398-E437 HydrophobicContact CG2-CB 3.93Å; V398-E437 HydrophobicContact CG2-CG 3.88Å |
| 399 | S | 80.8 | Confident | 77.9 | Confident | 26 Ų | 26 | 51.2 Ų | 51.2 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.2 | -33.5 | 178.1 | 71 | 0 | 0 | 0 | 0 | 112.5 | H360 Y377 S395 L396 F403 | H360-S399 PolarHBondContact CE1-OG 3.25Å; Y377-S399 VanDerWaalsContact CE1-OG 3.23Å; Y377-S399 WeakPolarHBondContact CE1-OG 3.48Å; Y377-S399 VanDerWaalsContact OH-CB 3.23Å; Y377-S399 WeakPolarHBondContact OH-CB 3.44Å; Y377-S399 PolarHBondContact OH-OG 2.91Å; S395-S399 WeakPolarHBondContact O-CB 3.2Å; S395-S399 PolarHBondContact O-N 3.37Å; S395-S399 PolarHBondContact O-OG 3.17Å; L396-S399 PolarHBondContact O-OG 3.11Å; S399-F403 WeakPolarHBondContact O-CB 3.03Å; S399-F403 PolarHBondContact O-N 3.21Å |
| 400 | F | 80.5 | Confident | 78.5 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 171.3 | -171.6 | -143 | 0 | 0 | 0 | 111 | Y377 T378 L396 F403 Y404 I416 | Y377-F400 HydrophobicContact CD1-CB 3.82Å; Y377-F400 HydrophobicContact CD1-CD2 4.08Å; Y377-F400 HydrophobicContact CD1-CG 4.17Å; Y377-F400 HydrophobicContact CD2-CB 4.4Å; Y377-F400 AromaticContact CD2-CD2 3.43Å; Y377-F400 HydrophobicContact CD2-CD2 3.43Å; Y377-F400 VanDerWaalsContact CD2-CD2 3.43Å; Y377-F400 HydrophobicContact CD2-CE2 4.05Å; Y377-F400 HydrophobicContact CD2-CG 4.29Å; Y377-F400 HydrophobicContact CE1-CB 4.05Å; Y377-F400 HydrophobicContact CE2-CD2 4.19Å; Y377-F400 HydrophobicContact CG-CB 4.01Å; Y377-F400 AromaticContact CG-CD2 3.35Å; Y377-F400 HydrophobicContact CG-CD2 3.35Å; Y377-F400 AromaticContact CG-CE2 3.94Å; Y377-F400 HydrophobicContact CG-CE2 3.94Å; Y377-F400 AromaticContact CG-CG 3.89Å; Y377-F400 HydrophobicContact CG-CG 3.89Å; T378-F400 HydrophobicContact CG2-CZ 4.02Å; L396-F400 VanDerWaalsContact O-CB 3.22Å; L396-F400 WeakPolarHBondContact O-CB 3.29Å; L396-F400 PolarHBondContact O-N 3.43Å; F400-F403 WeakPolarHBondContact O-CB 3.24Å; F400-F403 PolarHBondContact O-N 2.93Å; F400-Y404 HydrophobicContact CD2-CD2 4.3Å; F400-Y404 AromaticContact CD2-CE2 3.93Å; F400-Y404 HydrophobicContact CD2-CE2 3.93Å; F400-Y404 HydrophobicContact CE1-CE2 4.42Å; F400-Y404 HydrophobicContact CE2-CD2 4.27Å; F400-Y404 AromaticContact CE2-CE2 3.46Å; F400-Y404 HydrophobicContact CE2-CE2 3.46Å; F400-Y404 VanDerWaalsContact CE2-CE2 3.46Å; F400-Y404 AromaticContact CZ-CE2 3.73Å; F400-Y404 HydrophobicContact CZ-CE2 3.73Å; F400-Y404 WeakPolarHBondContact O-CD2 3.37Å; F400-Y404 PolarHBondContact O-N 3.14Å; F400-I416 HydrophobicContact CD1-CB 4.44Å; F400-I416 HydrophobicContact CD1-CD1 3.79Å; F400-I416 HydrophobicContact CD1-CG1 4Å; F400-I416 HydrophobicContact CD1-CG2 3.57Å; F400-I416 HydrophobicContact CE1-CD1 3.59Å; F400-I416 HydrophobicContact CE1-CG1 3.77Å; F400-I416 HydrophobicContact CE1-CG2 4.21Å; F400-I416 HydrophobicContact CG-CD1 4.32Å; F400-I416 HydrophobicContact CG-CG2 4.32Å; F400-I416 HydrophobicContact CZ-CD1 4Å |
| 401 | A | 80.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | W397 V398 F403 Y404 E405 I416 F417 | W397-A401 WeakPolarHBondContact O-CB 3.41Å; W397-A401 PolarHBondContact O-N 3.32Å; V398-A401 PolarHBondContact O-N 2.96Å; A401-F403 VanDerWaalsContact C-N 3.27Å; A401-F403 PolarHBondContact O-N 3.12Å; A401-Y404 PolarHBondContact O-N 3.46Å; A401-Y404 VanDerWaalsContact O-N 3.08Å; A401-E405 PolarHBondContact O-N 2.72Å; A401-I416 HydrophobicContact CB-CG2 4.11Å; A401-F417 HydrophobicContact CB-CD1 4.36Å; A401-F417 HydrophobicContact CB-CD2 3.95Å; A401-F417 HydrophobicContact CB-CE1 3.86Å; A401-F417 HydrophobicContact CB-CE2 3.4Å; A401-F417 VanDerWaalsContact CB-CE2 3.4Å; A401-F417 HydrophobicContact CB-CG 4.41Å; A401-F417 HydrophobicContact CB-CZ 3.35Å |
| 402 | K | 82.3 | Confident | 80.4 | Confident | 66 Ų | 66 | 54.4 Ų | 54.4 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.8 | -34.5 | 174.4 | -75.2 | 178.8 | -179.5 | 175.8 | 0 | 112.3 | V398 Y404 E405 E406 E437 | V398-K402 HydrophobicContact CG1-CD 4.06Å; V398-K402 WeakPolarHBondContact O-CB 3.33Å; V398-K402 WeakPolarHBondContact O-CG 3.25Å; V398-K402 PolarHBondContact O-N 2.83Å; K402-Y404 PolarHBondContact O-N 3.3Å; K402-E405 WeakPolarHBondContact O-CB 3.46Å; K402-E405 PolarHBondContact O-N 3.2Å; K402-E406 WeakPolarHBondContact O-CG 3.37Å; K402-E406 PolarHBondContact O-N 3.27Å; K402-E437 WeakPolarHBondContact CE-OE2 3.34Å; K402-E437 IonicContact NZ-OE1 3.65Å; K402-E437 IonicContact NZ-OE2 3.96Å; K402-E437 PolarHBondContact NZ-OE2 3.14Å |
| 403 | F | 82.3 | Confident | 80.8 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.7 | -37 | 172.1 | -179.9 | -99.6 | 0 | 0 | 0 | 112.8 | P370 I373 I374 Y377 S399 F400 A401 N407 | P370-F403 HydrophobicContact CB-CZ 3.99Å; I373-F403 HydrophobicContact CB-CE1 4.39Å; I373-F403 HydrophobicContact CB-CE2 4.33Å; I373-F403 HydrophobicContact CB-CZ 4.06Å; I373-F403 HydrophobicContact CD1-CE2 3.75Å; I373-F403 HydrophobicContact CD1-CZ 4.1Å; I373-F403 HydrophobicContact CG2-CD1 4Å; I373-F403 HydrophobicContact CG2-CD2 3.96Å; I373-F403 HydrophobicContact CG2-CE1 3.87Å; I373-F403 HydrophobicContact CG2-CE2 3.83Å; I373-F403 HydrophobicContact CG2-CG 4.04Å; I373-F403 HydrophobicContact CG2-CZ 3.78Å; I374-F403 HydrophobicContact CD1-CE1 4.34Å; I374-F403 HydrophobicContact CG1-CD1 4.49Å; I374-F403 HydrophobicContact CG1-CE1 3.88Å; Y377-F403 HydrophobicContact CE2-CB 4.42Å; S399-F403 WeakPolarHBondContact O-CB 3.03Å; S399-F403 PolarHBondContact O-N 3.21Å; F400-F403 WeakPolarHBondContact O-CB 3.24Å; F400-F403 PolarHBondContact O-N 2.93Å; A401-F403 VanDerWaalsContact C-N 3.27Å; A401-F403 PolarHBondContact O-N 3.12Å; F403-N407 WeakPolarHBondContact CZ-ND2 3.24Å; F403-N407 PolarHBondContact O-N 2.79Å; F403-N407 PolarHBondContact O-ND2 3.47Å |
| 404 | Y | 80.9 | Confident | 81.2 | Confident | 26 Ų | 26 | 50.5 Ų | 50.5 | 10% | 0.102 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.2 | -31 | 172.3 | -81.8 | -86.7 | 0 | 0 | 0 | 113 | F400 A401 K402 N407 E408 Q409 D412 I416 | F400-Y404 HydrophobicContact CD2-CD2 4.3Å; F400-Y404 AromaticContact CD2-CE2 3.93Å; F400-Y404 HydrophobicContact CD2-CE2 3.93Å; F400-Y404 HydrophobicContact CE1-CE2 4.42Å; F400-Y404 HydrophobicContact CE2-CD2 4.27Å; F400-Y404 AromaticContact CE2-CE2 3.46Å; F400-Y404 HydrophobicContact CE2-CE2 3.46Å; F400-Y404 VanDerWaalsContact CE2-CE2 3.46Å; F400-Y404 AromaticContact CZ-CE2 3.73Å; F400-Y404 HydrophobicContact CZ-CE2 3.73Å; F400-Y404 WeakPolarHBondContact O-CD2 3.37Å; F400-Y404 PolarHBondContact O-N 3.14Å; A401-Y404 PolarHBondContact O-N 3.46Å; A401-Y404 VanDerWaalsContact O-N 3.08Å; K402-Y404 PolarHBondContact O-N 3.3Å; Y404-N407 CarbonylContact O-C 3.57Å; Y404-N407 PolarHBondContact O-N 2.86Å; Y404-E408 PolarHBondContact O-N 3.03Å; Y404-Q409 HydrophobicContact CD1-CB 3.84Å; Y404-Q409 VanDerWaalsContact CD1-OE1 3.31Å; Y404-Q409 PolarHBondContact O-N 2.79Å; Y404-D412 HydrophobicContact CD1-CB 3.61Å; Y404-D412 HydrophobicContact CE1-CB 3.78Å; Y404-D412 HydrophobicContact CG-CB 4.28Å; Y404-I416 HydrophobicContact CD2-CD1 3.17Å; Y404-I416 HydrophobicContact CE2-CD1 3.23Å; Y404-I416 HydrophobicContact CG-CD1 3.95Å |
| 405 | E | 79.6 | Confident | 81.8 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 173.1 | -160.9 | -170.8 | 158.8 | 0 | 0 | 111.6 | A401 K402 N407 E408 M441 R444 H445 | A401-E405 PolarHBondContact O-N 2.72Å; K402-E405 WeakPolarHBondContact O-CB 3.46Å; K402-E405 PolarHBondContact O-N 3.2Å; E405-N407 PolarHBondContact O-N 2.78Å; E405-E408 PolarHBondContact O-N 3.38Å; E405-M441 HydrophobicContact CG-CG 4.34Å; E405-R444 VanDerWaalsContact CD-CZ 3.5Å; E405-R444 IonicContact OE1-CZ 3.8Å; E405-R444 IonicContact OE1-NE 2.78Å; E405-R444 IonicContact OE1-NH1 2.74Å; E405-R444 PolarHBondContact OE1-NH1 3.26Å; E405-R444 IonicContact OE1-NH2 2.77Å; E405-R444 PolarHBondContact OE1-NH2 3.49Å; E405-R444 IonicContact OE2-CZ 3.25Å; E405-R444 IonicContact OE2-NH1 3.23Å; E405-R444 PolarHBondContact OE2-NH1 2.9Å; E405-R444 IonicContact OE2-NH2 3.66Å; E405-R444 PolarHBondContact OE2-NH2 2.98Å; E405-H445 IonicContact OE1-NE2 2.78Å |
| 406 | E | 82.6 | Confident | 81.9 | Confident | 156 Ų | 156 | 50.4 Ų | 50.4 | 73% | 0.729 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.8 | -24.3 | 173.9 | -73.7 | 170.2 | -175.1 | 0 | 0 | 113.4 | K402 | K402-E406 WeakPolarHBondContact O-CG 3.37Å; K402-E406 PolarHBondContact O-N 3.27Å |
| 407 | N | 81.9 | Confident | 81.9 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 13.7 | 174.9 | -71 | -76.6 | 0 | 0 | 0 | 113.1 | F403 Y404 E405 Q409 | F403-N407 WeakPolarHBondContact CZ-ND2 3.24Å; F403-N407 PolarHBondContact O-N 2.79Å; F403-N407 PolarHBondContact O-ND2 3.47Å; Y404-N407 CarbonylContact O-C 3.57Å; Y404-N407 PolarHBondContact O-N 2.86Å; E405-N407 PolarHBondContact O-N 2.78Å; N407-Q409 PolarHBondContact O-N 3.27Å; N407-Q409 VanDerWaalsContact O-N 3.09Å |
| 408 | E | 77.5 | Confident | 81.9 | Confident | 174 Ų | 174 | 52.6 Ų | 52.6 | 81% | 0.813 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 12.8 | -179.6 | -55.9 | -175.1 | 162.4 | 0 | 0 | 115.5 | Y404 E405 L410 | Y404-E408 PolarHBondContact O-N 3.03Å; E405-E408 PolarHBondContact O-N 3.38Å; E408-L410 PolarHBondContact O-N 3.19Å; E408-L410 VanDerWaalsContact O-N 3.14Å |
| 409 | Q | 84.4 | Confident | 81.9 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | trans | -91.2 | 67.4 | -176 | -74.8 | -175.2 | -30.3 | 0 | 0 | 112.3 | Y404 N407 D411 D412 A413 | Y404-Q409 HydrophobicContact CD1-CB 3.84Å; Y404-Q409 VanDerWaalsContact CD1-OE1 3.31Å; Y404-Q409 PolarHBondContact O-N 2.79Å; N407-Q409 PolarHBondContact O-N 3.27Å; N407-Q409 VanDerWaalsContact O-N 3.09Å; Q409-D411 PolarHBondContact O-N 2.89Å; Q409-D412 HydrophobicContact CB-CB 4.39Å; Q409-D412 PolarHBondContact O-N 3.49Å; Q409-A413 PolarHBondContact O-N 2.75Å; Q409-A413 VanDerWaalsContact O-N 3.08Å | ||
| 410 | L | 80.8 | Confident | 81.9 | Confident | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.2 | -36.6 | -174.2 | -56.3 | -174.3 | 0 | 0 | 0 | 114.2 | E408 A413 R414 H445 | E408-L410 PolarHBondContact O-N 3.19Å; E408-L410 VanDerWaalsContact O-N 3.14Å; L410-A413 PolarHBondContact O-N 3.16Å; L410-R414 VanDerWaalsContact O-CG 3.27Å; L410-R414 WeakPolarHBondContact O-CG 3.33Å; L410-R414 PolarHBondContact O-N 3.22Å; L410-H445 VanDerWaalsContact CD2-NE2 3.29Å; L410-H445 WeakPolarHBondContact CD2-NE2 3.34Å |
| 411 | D | 82.1 | Confident | 81.8 | Confident | 112 Ų | 112 | 56.1 Ų | 56.1 | 60% | 0.599 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -71 | -36.9 | -179.3 | -70.6 | -28.5 | 0 | 0 | 0 | 112.2 | Q409 R414 T415 | Q409-D411 PolarHBondContact O-N 2.89Å; D411-R414 WeakPolarHBondContact O-CB 3.49Å; D411-R414 PolarHBondContact O-N 2.81Å; D411-R414 IonicContact OD1-CZ 3.92Å; D411-R414 IonicContact OD1-NH1 3.14Å; D411-R414 PolarHBondContact OD1-NH1 2.89Å; D411-T415 VanDerWaalsContact O-CG2 3.28Å; D411-T415 WeakPolarHBondContact O-CG2 3.3Å; D411-T415 PolarHBondContact O-N 2.79Å |
| 412 | D | 81.9 | Confident | 81.6 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 172.5 | -76.7 | -43.6 | 0 | 0 | 0 | 111.1 | Y404 Q409 R414 T415 I416 | Y404-D412 HydrophobicContact CD1-CB 3.61Å; Y404-D412 HydrophobicContact CE1-CB 3.78Å; Y404-D412 HydrophobicContact CG-CB 4.28Å; Q409-D412 HydrophobicContact CB-CB 4.39Å; Q409-D412 PolarHBondContact O-N 3.49Å; D412-R414 VanDerWaalsContact C-N 3.32Å; D412-R414 PolarHBondContact O-N 2.78Å; D412-T415 PolarHBondContact O-N 3.27Å; D412-T415 VanDerWaalsContact O-N 3.08Å; D412-T415 PolarHBondContact O-OG1 3.38Å; D412-I416 VanDerWaalsContact O-CG1 3.31Å; D412-I416 WeakPolarHBondContact O-CG1 3.44Å; D412-I416 PolarHBondContact O-N 2.97Å |
| 413 | A | 81.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.8 | -42.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q409 L410 I416 F417 | Q409-A413 PolarHBondContact O-N 2.75Å; Q409-A413 VanDerWaalsContact O-N 3.08Å; L410-A413 PolarHBondContact O-N 3.16Å; A413-I416 WeakPolarHBondContact O-CB 3.46Å; A413-I416 PolarHBondContact O-N 3.32Å; A413-F417 VanDerWaalsContact O-CD2 3.27Å; A413-F417 WeakPolarHBondContact O-CD2 3.16Å; A413-F417 PolarHBondContact O-N 2.95Å |
| 414 | R | 83.4 | Confident | 81 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 22% | 0.223 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 171.7 | -73.4 | 163.9 | 174.7 | 150.4 | 4 | 111.8 | L410 D411 D412 I416 F417 E418 Y438 M441 E442 N447 | L410-R414 VanDerWaalsContact O-CG 3.27Å; L410-R414 WeakPolarHBondContact O-CG 3.33Å; L410-R414 PolarHBondContact O-N 3.22Å; D411-R414 WeakPolarHBondContact O-CB 3.49Å; D411-R414 PolarHBondContact O-N 2.81Å; D411-R414 IonicContact OD1-CZ 3.92Å; D411-R414 IonicContact OD1-NH1 3.14Å; D411-R414 PolarHBondContact OD1-NH1 2.89Å; D412-R414 VanDerWaalsContact C-N 3.32Å; D412-R414 PolarHBondContact O-N 2.78Å; R414-I416 PolarHBondContact O-N 3.13Å; R414-F417 PolarHBondContact O-N 2.83Å; R414-E418 WeakPolarHBondContact O-CB 3.31Å; R414-E418 WeakPolarHBondContact O-CG 3.29Å; R414-E418 PolarHBondContact O-N 3.06Å; R414-Y438 HydrophobicContact CG-CE2 4.12Å; R414-M441 HydrophobicContact CG-CE 4.2Å; R414-E442 IonicContact CZ-OE1 2.73Å; R414-E442 IonicContact CZ-OE2 3.41Å; R414-E442 IonicContact NE-OE1 3.7Å; R414-E442 PolarHBondContact NE-OE1 2.86Å; R414-E442 IonicContact NE-OE2 3.52Å; R414-E442 IonicContact NH2-OE1 3.87Å; R414-E442 PolarHBondContact NH2-OE1 3.43Å; R414-E442 VanDerWaalsContact NH2-OE1 3.15Å; R414-E442 IonicContact NH2-OE2 2.73Å; R414-E442 PolarHBondContact NH2-OE2 3.41Å; R414-N447 PolarHBondContact NH2-ND2 3.09Å |
| 415 | T | 85.3 | Confident | 80.7 | Confident | 54 Ų | 54 | 62 Ų | 62 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.4 | -31.1 | 176.9 | 82.9 | 0 | 0 | 0 | 0 | 112.4 | D411 D412 K419 | D411-T415 VanDerWaalsContact O-CG2 3.28Å; D411-T415 WeakPolarHBondContact O-CG2 3.3Å; D411-T415 PolarHBondContact O-N 2.79Å; D412-T415 PolarHBondContact O-N 3.27Å; D412-T415 VanDerWaalsContact O-N 3.08Å; D412-T415 PolarHBondContact O-OG1 3.38Å; T415-K419 WeakPolarHBondContact O-CB 3.4Å; T415-K419 VanDerWaalsContact O-CD 3.3Å; T415-K419 WeakPolarHBondContact O-CD 3.32Å; T415-K419 WeakPolarHBondContact O-CG 3.13Å; T415-K419 PolarHBondContact O-N 3.3Å; T415-K419 PolarHBondContact OG1-NZ 2.93Å; T415-K419 VanDerWaalsContact OG1-NZ 3.1Å |
| 416 | I | 83.5 | Confident | 80.2 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.5 | -46.1 | 177.9 | -72.6 | 163.2 | 0 | 0 | 0 | 110.4 | W397 F400 A401 Y404 D412 A413 R414 E418 K419 A420 | W397-I416 HydrophobicContact CE3-CG2 3.86Å; W397-I416 HydrophobicContact CZ3-CG2 4.19Å; F400-I416 HydrophobicContact CD1-CB 4.44Å; F400-I416 HydrophobicContact CD1-CD1 3.79Å; F400-I416 HydrophobicContact CD1-CG1 4Å; F400-I416 HydrophobicContact CD1-CG2 3.57Å; F400-I416 HydrophobicContact CE1-CD1 3.59Å; F400-I416 HydrophobicContact CE1-CG1 3.77Å; F400-I416 HydrophobicContact CE1-CG2 4.21Å; F400-I416 HydrophobicContact CG-CD1 4.32Å; F400-I416 HydrophobicContact CG-CG2 4.32Å; F400-I416 HydrophobicContact CZ-CD1 4Å; A401-I416 HydrophobicContact CB-CG2 4.11Å; Y404-I416 HydrophobicContact CD2-CD1 3.17Å; Y404-I416 HydrophobicContact CE2-CD1 3.23Å; Y404-I416 HydrophobicContact CG-CD1 3.95Å; D412-I416 VanDerWaalsContact O-CG1 3.31Å; D412-I416 WeakPolarHBondContact O-CG1 3.44Å; D412-I416 PolarHBondContact O-N 2.97Å; A413-I416 WeakPolarHBondContact O-CB 3.46Å; A413-I416 PolarHBondContact O-N 3.32Å; R414-I416 PolarHBondContact O-N 3.13Å; I416-E418 PolarHBondContact O-N 2.81Å; I416-K419 PolarHBondContact O-N 3.02Å; I416-A420 WeakPolarHBondContact O-CB 3.5Å; I416-A420 PolarHBondContact O-N 3.49Å |
| 417 | F | 82 | Confident | 79.7 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 171.6 | -74.9 | -61.4 | 0 | 0 | 0 | 112.3 | A401 A413 R414 K419 A420 T421 V434 E437 Y438 M441 | A401-F417 HydrophobicContact CB-CD1 4.36Å; A401-F417 HydrophobicContact CB-CD2 3.95Å; A401-F417 HydrophobicContact CB-CE1 3.86Å; A401-F417 HydrophobicContact CB-CE2 3.4Å; A401-F417 VanDerWaalsContact CB-CE2 3.4Å; A401-F417 HydrophobicContact CB-CG 4.41Å; A401-F417 HydrophobicContact CB-CZ 3.35Å; A413-F417 VanDerWaalsContact O-CD2 3.27Å; A413-F417 WeakPolarHBondContact O-CD2 3.16Å; A413-F417 PolarHBondContact O-N 2.95Å; R414-F417 PolarHBondContact O-N 2.83Å; F417-K419 VanDerWaalsContact C-N 3.3Å; F417-K419 PolarHBondContact O-N 3.27Å; F417-A420 PolarHBondContact O-N 3.25Å; F417-T421 VanDerWaalsContact O-CG2 3.3Å; F417-T421 WeakPolarHBondContact O-CG2 3.39Å; F417-T421 PolarHBondContact O-N 3.04Å; F417-T421 PolarHBondContact O-OG1 3.08Å; F417-V434 HydrophobicContact CD1-CG1 3.96Å; F417-V434 HydrophobicContact CE1-CG1 4.49Å; F417-E437 HydrophobicContact CE1-CB 4.45Å; F417-Y438 HydrophobicContact CB-CD1 3.89Å; F417-Y438 HydrophobicContact CB-CD2 3.73Å; F417-Y438 HydrophobicContact CB-CE1 4.17Å; F417-Y438 HydrophobicContact CB-CE2 4.05Å; F417-Y438 HydrophobicContact CB-CG 3.67Å; F417-Y438 HydrophobicContact CD1-CD2 4.45Å; F417-Y438 HydrophobicContact CD1-CG 4.2Å; F417-Y438 AromaticContact CD2-CD2 3.33Å; F417-Y438 HydrophobicContact CD2-CD2 3.33Å; F417-Y438 AromaticContact CD2-CE2 3.96Å; F417-Y438 HydrophobicContact CD2-CE2 3.96Å; F417-Y438 AromaticContact CD2-CG 3.89Å; F417-Y438 HydrophobicContact CD2-CG 3.89Å; F417-Y438 AromaticContact CE2-CD2 3.96Å; F417-Y438 HydrophobicContact CE2-CD2 3.96Å; F417-Y438 HydrophobicContact CG-CD1 4.4Å; F417-Y438 AromaticContact CG-CD2 3.61Å; F417-Y438 HydrophobicContact CG-CD2 3.61Å; F417-Y438 HydrophobicContact CG-CE2 4.31Å; F417-Y438 AromaticContact CG-CG 3.69Å; F417-Y438 HydrophobicContact CG-CG 3.69Å; F417-M441 HydrophobicContact CD2-CE 4.21Å; F417-M441 HydrophobicContact CE2-CB 4.24Å; F417-M441 HydrophobicContact CE2-CE 4.19Å; F417-M441 HydrophobicContact CE2-CG 4.36Å |
| 418 | E | 82.8 | Confident | 79.2 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.5 | -26.8 | 173.3 | -74.2 | -137.3 | 136.3 | 0 | 0 | 114 | R414 I416 T421 K422 K457 | R414-E418 WeakPolarHBondContact O-CB 3.31Å; R414-E418 WeakPolarHBondContact O-CG 3.29Å; R414-E418 PolarHBondContact O-N 3.06Å; I416-E418 PolarHBondContact O-N 2.81Å; E418-T421 WeakPolarHBondContact CA-OG1 3.25Å; E418-T421 PolarHBondContact O-OG1 3.26Å; E418-K422 VanDerWaalsContact O-CD 3.25Å; E418-K422 WeakPolarHBondContact O-CD 3.24Å; E418-K422 VanDerWaalsContact O-CE 3.31Å; E418-K422 WeakPolarHBondContact O-CE 3.19Å; E418-K422 WeakPolarHBondContact O-CG 3.11Å; E418-K457 IonicContact OE1-NZ 2.71Å; E418-K457 PolarHBondContact OE1-NZ 3.35Å |
| 419 | K | 83.8 | Confident | 78.9 | Confident | 111 Ų | 111 | 57.7 Ų | 57.7 | 48% | 0.483 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -76.9 | -46.8 | 170.7 | -73.2 | 158.2 | -172.3 | 154.4 | 0 | 110.3 | W397 T415 I416 F417 T421 K422 | W397-K419 HydrophobicContact CH2-CB 3.86Å; W397-K419 HydrophobicContact CZ3-CB 3.8Å; T415-K419 WeakPolarHBondContact O-CB 3.4Å; T415-K419 VanDerWaalsContact O-CD 3.3Å; T415-K419 WeakPolarHBondContact O-CD 3.32Å; T415-K419 WeakPolarHBondContact O-CG 3.13Å; T415-K419 PolarHBondContact O-N 3.3Å; T415-K419 PolarHBondContact OG1-NZ 2.93Å; T415-K419 VanDerWaalsContact OG1-NZ 3.1Å; I416-K419 PolarHBondContact O-N 3.02Å; F417-K419 VanDerWaalsContact C-N 3.3Å; F417-K419 PolarHBondContact O-N 3.27Å; K419-T421 VanDerWaalsContact C-N 3.32Å; K419-T421 PolarHBondContact O-N 3.14Å; K419-K422 WeakPolarHBondContact O-CB 3.42Å; K419-K422 PolarHBondContact O-N 3.25Å |
| 420 | A | 81.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.2 | -44.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | W397 I416 F417 K422 V423 Y425 V434 | W397-A420 HydrophobicContact CB-CB 3.82Å; W397-A420 HydrophobicContact CD2-CB 3.53Å; W397-A420 HydrophobicContact CE3-CB 3.57Å; W397-A420 HydrophobicContact CG-CB 3.68Å; W397-A420 HydrophobicContact CZ3-CB 4.27Å; I416-A420 WeakPolarHBondContact O-CB 3.5Å; I416-A420 PolarHBondContact O-N 3.49Å; F417-A420 PolarHBondContact O-N 3.25Å; A420-K422 PolarHBondContact O-N 3.41Å; A420-V423 WeakPolarHBondContact O-CB 3.46Å; A420-V423 PolarHBondContact O-N 2.99Å; A420-Y425 WeakPolarHBondContact O-CE2 3.28Å; A420-Y425 PolarHBondContact O-OH 2.98Å; A420-V434 HydrophobicContact CB-CG1 3.78Å |
| 421 | T | 77.1 | Confident | 78.3 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.086 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20 | 178.6 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | F417 E418 K419 L431 V434 W435 Q476 | F417-T421 VanDerWaalsContact O-CG2 3.3Å; F417-T421 WeakPolarHBondContact O-CG2 3.39Å; F417-T421 PolarHBondContact O-N 3.04Å; F417-T421 PolarHBondContact O-OG1 3.08Å; E418-T421 WeakPolarHBondContact CA-OG1 3.25Å; E418-T421 PolarHBondContact O-OG1 3.26Å; K419-T421 VanDerWaalsContact C-N 3.32Å; K419-T421 PolarHBondContact O-N 3.14Å; T421-L431 HydrophobicContact CG2-CD1 4.31Å; T421-V434 HydrophobicContact CG2-CG1 4.26Å; T421-W435 HydrophobicContact CG2-CD2 3.76Å; T421-W435 HydrophobicContact CG2-CE3 4.2Å; T421-W435 HydrophobicContact CG2-CG 4.37Å; T421-W435 HydrophobicContact CG2-CH2 3.97Å; T421-W435 HydrophobicContact CG2-CZ2 3.48Å; T421-W435 VanDerWaalsContact CG2-CZ2 3.48Å; T421-W435 HydrophobicContact CG2-CZ3 4.3Å; T421-Q476 WeakPolarHBondContact O-CG 3.19Å; T421-Q476 PolarHBondContact O-NE2 3.46Å |
| 422 | K | 77.8 | Confident | 78.1 | Confident | 135 Ų | 135 | 46.6 Ų | 46.6 | 59% | 0.587 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8.4 | 174.5 | -67.6 | 166.9 | -170.8 | 158.1 | 0 | 113.3 | E418 K419 A420 Q476 | E418-K422 VanDerWaalsContact O-CD 3.25Å; E418-K422 WeakPolarHBondContact O-CD 3.24Å; E418-K422 VanDerWaalsContact O-CE 3.31Å; E418-K422 WeakPolarHBondContact O-CE 3.19Å; E418-K422 WeakPolarHBondContact O-CG 3.11Å; K419-K422 WeakPolarHBondContact O-CB 3.42Å; K419-K422 PolarHBondContact O-N 3.25Å; A420-K422 PolarHBondContact O-N 3.41Å; K422-Q476 VanDerWaalsContact CA-NE2 3.33Å; K422-Q476 PolarHBondContact O-NE2 3.19Å |
| 423 | V | 76.9 | Confident | 78.1 | Confident | 31 Ų | 31 | 43.8 Ų | 43.8 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -78.3 | 136.9 | 178.4 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | P386 W397 A420 Y425 | P386-V423 HydrophobicContact CB-CG1 4.26Å; P386-V423 HydrophobicContact CG-CG1 3.37Å; W397-V423 HydrophobicContact CH2-CG2 4.5Å; W397-V423 HydrophobicContact CZ2-CG2 3.66Å; A420-V423 WeakPolarHBondContact O-CB 3.46Å; A420-V423 PolarHBondContact O-N 2.99Å; V423-Y425 HydrophobicContact CB-CD2 4.46Å; V423-Y425 HydrophobicContact CB-CE2 3.84Å; V423-Y425 HydrophobicContact CG1-CE1 4.21Å; V423-Y425 HydrophobicContact CG1-CE2 4.19Å; V423-Y425 WeakPolarHBondContact O-CD2 3.39Å; V423-Y425 PolarHBondContact O-N 3.17Å |
| 424 | N | 73.8 | Confident | 78.3 | Confident | 73 Ų | 73 | 43.8 Ų | 43.8 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | trans | -86 | 92 | 174.2 | -77.3 | -26.9 | 0 | 0 | 0 | 110.4 | P386 | P386-N424 WeakPolarHBondContact CB-O 3.32Š| ||
| 425 | Y | 74.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -68.5 | 173.1 | 173.3 | -62.1 | -81.8 | 0 | 0 | 0 | 112.6 | P386 M387 P393 W397 A420 V423 D430 L431 V475 | P386-Y425 HydrophobicContact CB-CD1 4.4Å; M387-Y425 WeakPolarHBondContact CE-O 3.38Å; P393-Y425 HydrophobicContact CB-CD1 4.05Å; P393-Y425 HydrophobicContact CB-CE1 3.99Å; W397-Y425 PolarHBondContact NE1-OH 3.38Å; A420-Y425 WeakPolarHBondContact O-CE2 3.28Å; A420-Y425 PolarHBondContact O-OH 2.98Å; V423-Y425 HydrophobicContact CB-CD2 4.46Å; V423-Y425 HydrophobicContact CB-CE2 3.84Å; V423-Y425 HydrophobicContact CG1-CE1 4.21Å; V423-Y425 HydrophobicContact CG1-CE2 4.19Å; V423-Y425 WeakPolarHBondContact O-CD2 3.39Å; V423-Y425 PolarHBondContact O-N 3.17Å; Y425-D430 HydrophobicContact CD1-CB 4.05Å; Y425-D430 HydrophobicContact CG-CB 4.01Å; Y425-L431 HydrophobicContact CD2-CB 3.84Å; Y425-L431 HydrophobicContact CD2-CD1 4.14Å; Y425-L431 HydrophobicContact CD2-CG 4.37Å; Y425-L431 HydrophobicContact CE2-CB 4.4Å; Y425-L431 HydrophobicContact CE2-CD1 3.94Å; Y425-V475 WeakPolarHBondContact O-CG2 3.36Å | ||
| 426 | K | 70 | Confident | 78.2 | Confident | 134 Ų | 134 | 39.4 Ų | 39.4 | 58% | 0.583 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -89.3 | -38.9 | 175.2 | -175.3 | 174.8 | -177.5 | 171 | 0 | 112.5 | M387 | M387-K426 HydrophobicContact SD-CB 4.24Å; M387-K426 HydrophobicContact SD-CG 4.5Å |
| 427 | Q | 72.3 | Confident | 78 | Confident | 112 Ų | 112 | 41.2 Ų | 41.2 | 52% | 0.523 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -106.1 | 147.1 | 177.7 | -57.9 | -174.6 | -33.5 | 0 | 0 | 110.8 | D429 D430 | Q427-D429 VanDerWaalsContact C-N 3.29Å; Q427-D430 WeakPolarHBondContact CB-OD2 3.49Å; Q427-D430 PolarHBondContact N-OD2 2.85Å; Q427-D430 PolarHBondContact O-N 3.45Å |
| 428 | V | 70.2 | Confident | 78 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.3 | -34.1 | 174.5 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | D430 L431 A432 Y468 V475 R478 | V428-D430 VanDerWaalsContact C-N 3.26Å; V428-D430 PolarHBondContact O-N 3.28Å; V428-L431 PolarHBondContact O-N 2.95Å; V428-A432 WeakPolarHBondContact O-CB 3.31Å; V428-A432 PolarHBondContact O-N 3.13Å; V428-Y468 HydrophobicContact CB-CE2 3.76Å; V428-Y468 HydrophobicContact CG1-CE2 3.78Å; V428-Y468 HydrophobicContact CG2-CD2 4.16Å; V428-Y468 HydrophobicContact CG2-CE2 3.83Å; V428-V475 HydrophobicContact CB-CG1 4.24Å; V428-V475 HydrophobicContact CG1-CG1 4.28Å; V428-V475 HydrophobicContact CG2-CG1 4.23Å; V428-R478 HydrophobicContact CG1-CB 4.06Å; V428-R478 WeakPolarHBondContact CG1-O 3.45Å; V428-R478 HydrophobicContact CG2-CB 3.75Å |
| 429 | D | 72.8 | Confident | 77.9 | Confident | 92 Ų | 92 | 38.2 Ų | 38.2 | 49% | 0.492 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.7 | -29.5 | 178 | -55.2 | -44.9 | 0 | 0 | 0 | 112.9 | Q427 A433 Y468 | Q427-D429 VanDerWaalsContact C-N 3.29Å; D429-A433 WeakPolarHBondContact O-CB 3.35Å; D429-A433 PolarHBondContact O-N 3.03Å; D429-Y468 PolarHBondContact OD1-OH 3.09Å |
| 430 | D | 73.4 | Confident | 77.8 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -49.4 | 173.9 | -70.1 | -41.3 | 0 | 0 | 0 | 111 | H394 Y425 Q427 V428 A433 V434 | H394-D430 HydrophobicContact CB-CB 4.27Å; H394-D430 WeakPolarHBondContact CB-O 3.36Å; H394-D430 IonicContact CE1-OD1 2.77Å; H394-D430 PolarHBondContact CE1-OD1 3.31Å; H394-D430 VanDerWaalsContact CE1-OD1 3.23Å; H394-D430 IonicContact CG-OD1 3.98Å; H394-D430 IonicContact ND1-OD1 3.74Å; H394-D430 PolarHBondContact ND1-OD1 3.38Å; Y425-D430 HydrophobicContact CD1-CB 4.05Å; Y425-D430 HydrophobicContact CG-CB 4.01Å; Q427-D430 WeakPolarHBondContact CB-OD2 3.49Å; Q427-D430 PolarHBondContact N-OD2 2.85Å; Q427-D430 PolarHBondContact O-N 3.45Å; V428-D430 VanDerWaalsContact C-N 3.26Å; V428-D430 PolarHBondContact O-N 3.28Å; D430-A433 PolarHBondContact O-N 3.15Å; D430-V434 PolarHBondContact O-N 3.1Å |
| 431 | L | 78.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.6 | -36.1 | 179.8 | -176.2 | 49.1 | 0 | 0 | 0 | 111.2 | T421 Y425 V428 A433 V434 W435 V475 Q476 V479 | T421-L431 HydrophobicContact CG2-CD1 4.31Å; Y425-L431 HydrophobicContact CD2-CB 3.84Å; Y425-L431 HydrophobicContact CD2-CD1 4.14Å; Y425-L431 HydrophobicContact CD2-CG 4.37Å; Y425-L431 HydrophobicContact CE2-CB 4.4Å; Y425-L431 HydrophobicContact CE2-CD1 3.94Å; V428-L431 PolarHBondContact O-N 2.95Å; L431-A433 VanDerWaalsContact C-N 3.32Å; L431-A433 PolarHBondContact O-N 3.06Å; L431-V434 PolarHBondContact O-N 2.8Å; L431-W435 PolarHBondContact O-N 2.76Å; L431-W435 VanDerWaalsContact O-N 3.11Å; L431-V475 HydrophobicContact CB-CG1 3.89Å; L431-V475 HydrophobicContact CD2-CB 4.38Å; L431-V475 HydrophobicContact CD2-CG1 3.94Å; L431-Q476 HydrophobicContact CD2-CG 3.87Å; L431-V479 HydrophobicContact CB-CG2 4.21Å; L431-V479 HydrophobicContact CD2-CG2 3.31Å; L431-V479 HydrophobicContact CG-CG2 3.54Å |
| 432 | A | 78.8 | Confident | 78.1 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V428 V434 W435 C436 V485 | V428-A432 WeakPolarHBondContact O-CB 3.31Å; V428-A432 PolarHBondContact O-N 3.13Å; A432-V434 PolarHBondContact O-N 3.31Å; A432-W435 PolarHBondContact O-N 3.01Å; A432-C436 PolarHBondContact O-N 3.42Å; A432-C436 PolarHBondContact O-SG 2.92Å; A432-V485 HydrophobicContact CB-CG2 3.81Å |
| 433 | A | 82 | Confident | 78.3 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 10% | 0.099 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D429 D430 L431 W435 C436 E437 | D429-A433 WeakPolarHBondContact O-CB 3.35Å; D429-A433 PolarHBondContact O-N 3.03Å; D430-A433 PolarHBondContact O-N 3.15Å; L431-A433 VanDerWaalsContact C-N 3.32Å; L431-A433 PolarHBondContact O-N 3.06Å; A433-W435 PolarHBondContact O-N 3.46Å; A433-C436 PolarHBondContact O-N 2.92Å; A433-E437 WeakPolarHBondContact O-CB 3.19Å; A433-E437 VanDerWaalsContact O-CG 3.24Å; A433-E437 WeakPolarHBondContact O-CG 3.2Å; A433-E437 PolarHBondContact O-N 2.8Å |
| 434 | V | 83.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 174.6 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | H394 F417 A420 T421 D430 L431 A432 Y438 | H394-V434 HydrophobicContact CB-CG2 3.67Å; F417-V434 HydrophobicContact CD1-CG1 3.96Å; F417-V434 HydrophobicContact CE1-CG1 4.49Å; A420-V434 HydrophobicContact CB-CG1 3.78Å; T421-V434 HydrophobicContact CG2-CG1 4.26Å; D430-V434 PolarHBondContact O-N 3.1Å; L431-V434 PolarHBondContact O-N 2.8Å; A432-V434 PolarHBondContact O-N 3.31Å; V434-Y438 VanDerWaalsContact O-CB 3.32Å; V434-Y438 WeakPolarHBondContact O-CB 3.3Å; V434-Y438 PolarHBondContact O-N 3.01Å |
| 435 | W | 83.8 | Confident | 79 | Confident | 20 Ų | 20 | 34.6 Ų | 34.6 | 8% | 0.076 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.6 | -37.7 | 176.9 | -76.4 | 109.3 | 0 | 0 | 0 | 113.2 | T421 L431 A432 A433 Y438 G439 I454 K457 A458 V485 | T421-W435 HydrophobicContact CG2-CD2 3.76Å; T421-W435 HydrophobicContact CG2-CE3 4.2Å; T421-W435 HydrophobicContact CG2-CG 4.37Å; T421-W435 HydrophobicContact CG2-CH2 3.97Å; T421-W435 HydrophobicContact CG2-CZ2 3.48Å; T421-W435 VanDerWaalsContact CG2-CZ2 3.48Å; T421-W435 HydrophobicContact CG2-CZ3 4.3Å; L431-W435 PolarHBondContact O-N 2.76Å; L431-W435 VanDerWaalsContact O-N 3.11Å; A432-W435 PolarHBondContact O-N 3.01Å; A433-W435 PolarHBondContact O-N 3.46Å; W435-Y438 HydrophobicContact CE3-CD1 4.2Å; W435-Y438 HydrophobicContact CZ3-CD1 4.26Å; W435-G439 PolarHBondContact O-N 3.44Å; W435-I454 HydrophobicContact CE3-CG2 3.74Å; W435-I454 HydrophobicContact CZ3-CG2 3.83Å; W435-I454 WeakPolarHBondContact CZ3-O 3.45Å; W435-K457 HydrophobicContact CH2-CD 4.13Å; W435-K457 HydrophobicContact CH2-CG 4.12Å; W435-A458 HydrophobicContact CB-CB 4.21Å; W435-A458 HydrophobicContact CD2-CB 3.48Å; W435-A458 VanDerWaalsContact CD2-CB 3.48Å; W435-A458 HydrophobicContact CE3-CB 3.7Å; W435-A458 HydrophobicContact CG-CB 3.73Å; W435-A458 HydrophobicContact CH2-CB 4.49Å; W435-A458 HydrophobicContact CZ2-CB 4.32Å; W435-A458 HydrophobicContact CZ3-CB 4.2Å; W435-V485 HydrophobicContact CB-CG2 4.28Å |
| 436 | C | 82.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -50.8 | 173.1 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | A432 A433 Y438 G439 E440 | A432-C436 PolarHBondContact O-N 3.42Å; A432-C436 PolarHBondContact O-SG 2.92Å; A433-C436 PolarHBondContact O-N 2.92Å; C436-Y438 VanDerWaalsContact C-N 3.3Å; C436-Y438 PolarHBondContact O-N 3.47Å; C436-G439 CarbonylContact O-C 3.58Å; C436-G439 WeakPolarHBondContact O-CA 3.26Å; C436-G439 PolarHBondContact O-N 2.62Å; C436-E440 WeakPolarHBondContact O-CG 3.23Å; C436-E440 PolarHBondContact O-N 3.01Å |
| 437 | E | 79.2 | Confident | 80 | Confident | 42 Ų | 42 | 38.1 Ų | 38.1 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.7 | -33.1 | -179.3 | -67.9 | -94.8 | -172.9 | 0 | 0 | 112.1 | V398 K402 F417 A433 E440 M441 | V398-E437 HydrophobicContact CG1-CB 4.27Å; V398-E437 HydrophobicContact CG1-CG 4.04Å; V398-E437 WeakPolarHBondContact CG1-OE2 3.33Å; V398-E437 HydrophobicContact CG2-CB 3.93Å; V398-E437 HydrophobicContact CG2-CG 3.88Å; K402-E437 WeakPolarHBondContact CE-OE2 3.34Å; K402-E437 IonicContact NZ-OE1 3.65Å; K402-E437 IonicContact NZ-OE2 3.96Å; K402-E437 PolarHBondContact NZ-OE2 3.14Å; F417-E437 HydrophobicContact CE1-CB 4.45Å; A433-E437 WeakPolarHBondContact O-CB 3.19Å; A433-E437 VanDerWaalsContact O-CG 3.24Å; A433-E437 WeakPolarHBondContact O-CG 3.2Å; A433-E437 PolarHBondContact O-N 2.8Å; E437-E440 PolarHBondContact O-N 3.35Å; E437-M441 WeakPolarHBondContact O-CB 3.39Å; E437-M441 PolarHBondContact O-N 2.87Å |
| 438 | Y | 82.8 | Confident | 80.3 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.8 | -38.9 | 171.9 | -174.7 | -154.1 | 0 | 0 | 0 | 111.9 | R414 F417 V434 W435 C436 M441 E442 I454 | R414-Y438 HydrophobicContact CG-CE2 4.12Å; F417-Y438 HydrophobicContact CB-CD1 3.89Å; F417-Y438 HydrophobicContact CB-CD2 3.73Å; F417-Y438 HydrophobicContact CB-CE1 4.17Å; F417-Y438 HydrophobicContact CB-CE2 4.05Å; F417-Y438 HydrophobicContact CB-CG 3.67Å; F417-Y438 HydrophobicContact CD1-CD2 4.45Å; F417-Y438 HydrophobicContact CD1-CG 4.2Å; F417-Y438 AromaticContact CD2-CD2 3.33Å; F417-Y438 HydrophobicContact CD2-CD2 3.33Å; F417-Y438 AromaticContact CD2-CE2 3.96Å; F417-Y438 HydrophobicContact CD2-CE2 3.96Å; F417-Y438 AromaticContact CD2-CG 3.89Å; F417-Y438 HydrophobicContact CD2-CG 3.89Å; F417-Y438 AromaticContact CE2-CD2 3.96Å; F417-Y438 HydrophobicContact CE2-CD2 3.96Å; F417-Y438 HydrophobicContact CG-CD1 4.4Å; F417-Y438 AromaticContact CG-CD2 3.61Å; F417-Y438 HydrophobicContact CG-CD2 3.61Å; F417-Y438 HydrophobicContact CG-CE2 4.31Å; F417-Y438 AromaticContact CG-CG 3.69Å; F417-Y438 HydrophobicContact CG-CG 3.69Å; V434-Y438 VanDerWaalsContact O-CB 3.32Å; V434-Y438 WeakPolarHBondContact O-CB 3.3Å; V434-Y438 PolarHBondContact O-N 3.01Å; W435-Y438 HydrophobicContact CE3-CD1 4.2Å; W435-Y438 HydrophobicContact CZ3-CD1 4.26Å; C436-Y438 VanDerWaalsContact C-N 3.3Å; C436-Y438 PolarHBondContact O-N 3.47Å; Y438-M441 HydrophobicContact CD2-CE 3.68Å; Y438-M441 HydrophobicContact CE2-CE 3.6Å; Y438-E442 HydrophobicContact CE2-CG 4.31Å; Y438-E442 PolarHBondContact O-N 3.11Å; Y438-I454 HydrophobicContact CD1-CD1 4.12Å; Y438-I454 HydrophobicContact CD1-CG1 4.28Å; Y438-I454 HydrophobicContact CD1-CG2 3.48Å; Y438-I454 VanDerWaalsContact CD1-CG2 3.48Å; Y438-I454 HydrophobicContact CD2-CD1 4.3Å; Y438-I454 HydrophobicContact CE1-CB 4.41Å; Y438-I454 HydrophobicContact CE1-CD1 3.6Å; Y438-I454 HydrophobicContact CE1-CG1 3.71Å; Y438-I454 HydrophobicContact CE1-CG2 3.8Å; Y438-I454 HydrophobicContact CE2-CD1 3.78Å; Y438-I454 HydrophobicContact CG-CD1 4.45Å; Y438-I454 HydrophobicContact CG-CG2 4.11Å |
| 439 | G | 80.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -49.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W435 C436 M441 E442 L443 | W435-G439 PolarHBondContact O-N 3.44Å; C436-G439 CarbonylContact O-C 3.58Å; C436-G439 WeakPolarHBondContact O-CA 3.26Å; C436-G439 PolarHBondContact O-N 2.62Å; G439-M441 VanDerWaalsContact C-N 3.27Å; G439-M441 PolarHBondContact O-N 2.97Å; G439-E442 PolarHBondContact O-N 3.39Å; G439-E442 VanDerWaalsContact O-N 3.16Å; G439-L443 VanDerWaalsContact O-CG 3.31Å; G439-L443 WeakPolarHBondContact O-CG 3.28Å; G439-L443 PolarHBondContact O-N 3.27Å |
| 440 | E | 83.1 | Confident | 81.1 | Confident | 63 Ų | 63 | 41.4 Ų | 41.4 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.7 | -29.8 | 178.5 | -70.4 | 166.6 | -147.8 | 0 | 0 | 113.2 | C436 E437 R444 M488 | C436-E440 WeakPolarHBondContact O-CG 3.23Å; C436-E440 PolarHBondContact O-N 3.01Å; E437-E440 PolarHBondContact O-N 3.35Å; E440-R444 WeakPolarHBondContact O-CB 3.33Å; E440-R444 VanDerWaalsContact O-CG 3.31Å; E440-R444 WeakPolarHBondContact O-CG 3.16Å; E440-R444 PolarHBondContact O-N 3.41Å; E440-R444 PolarHBondContact O-NE 2.99Å; E440-R444 VanDerWaalsContact O-NE 3.16Å; E440-M488 HydrophobicContact CG-CE 3.44Å; E440-M488 VanDerWaalsContact CG-CE 3.44Å |
| 441 | M | 82.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -52.8 | 170 | -175.9 | -83 | -67.3 | 0 | 0 | 111.3 | E405 R414 F417 E437 Y438 G439 L443 R444 H445 | E405-M441 HydrophobicContact CG-CG 4.34Å; R414-M441 HydrophobicContact CG-CE 4.2Å; F417-M441 HydrophobicContact CD2-CE 4.21Å; F417-M441 HydrophobicContact CE2-CB 4.24Å; F417-M441 HydrophobicContact CE2-CE 4.19Å; F417-M441 HydrophobicContact CE2-CG 4.36Å; E437-M441 WeakPolarHBondContact O-CB 3.39Å; E437-M441 PolarHBondContact O-N 2.87Å; Y438-M441 HydrophobicContact CD2-CE 3.68Å; Y438-M441 HydrophobicContact CE2-CE 3.6Å; G439-M441 VanDerWaalsContact C-N 3.27Å; G439-M441 PolarHBondContact O-N 2.97Å; M441-L443 PolarHBondContact O-N 2.97Å; M441-R444 PolarHBondContact O-N 2.99Å; M441-R444 VanDerWaalsContact O-N 3.09Å; M441-H445 PolarHBondContact O-CD2 2.71Å; M441-H445 PolarHBondContact O-N 3.4Å; M441-H445 VanDerWaalsContact O-N 3.14Å |
| 442 | E | 81.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -26.1 | 179.1 | -64.1 | -77.9 | -172.8 | 0 | 0 | 112.5 | R414 Y438 G439 H445 E446 N447 Q450 A451 I454 | R414-E442 IonicContact CZ-OE1 2.73Å; R414-E442 IonicContact CZ-OE2 3.41Å; R414-E442 IonicContact NE-OE1 3.7Å; R414-E442 PolarHBondContact NE-OE1 2.86Å; R414-E442 IonicContact NE-OE2 3.52Å; R414-E442 IonicContact NH2-OE1 3.87Å; R414-E442 PolarHBondContact NH2-OE1 3.43Å; R414-E442 VanDerWaalsContact NH2-OE1 3.15Å; R414-E442 IonicContact NH2-OE2 2.73Å; R414-E442 PolarHBondContact NH2-OE2 3.41Å; Y438-E442 HydrophobicContact CE2-CG 4.31Å; Y438-E442 PolarHBondContact O-N 3.11Å; G439-E442 PolarHBondContact O-N 3.39Å; G439-E442 VanDerWaalsContact O-N 3.16Å; E442-H445 CarbonylContact O-C 3.35Å; E442-H445 PolarHBondContact O-N 2.75Å; E442-E446 PolarHBondContact O-N 3.23Å; E442-N447 HydrophobicContact CB-CB 4.26Å; E442-N447 PolarHBondContact O-N 3.39Å; E442-N447 WeakPolarHBondContact OE2-CB 3.16Å; E442-N447 PolarHBondContact OE2-ND2 3.25Å; E442-Q450 HydrophobicContact CG-CG 4.44Å; E442-A451 HydrophobicContact CB-CB 4.11Å; E442-I454 HydrophobicContact CG-CD1 3.72Å |
| 443 | L | 83.1 | Confident | 81.6 | Confident | 39 Ų | 39 | 48.6 Ų | 48.6 | 20% | 0.204 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.5 | -39.4 | 170.1 | -67.6 | 175.8 | 0 | 0 | 0 | 113 | G439 M441 H445 E446 Y448 A451 M488 L492 | G439-L443 VanDerWaalsContact O-CG 3.31Å; G439-L443 WeakPolarHBondContact O-CG 3.28Å; G439-L443 PolarHBondContact O-N 3.27Å; M441-L443 PolarHBondContact O-N 2.97Å; L443-H445 PolarHBondContact O-N 2.9Å; L443-E446 PolarHBondContact O-N 3.36Å; L443-E446 VanDerWaalsContact O-N 3.13Å; L443-Y448 HydrophobicContact CD2-CD1 3.62Å; L443-Y448 HydrophobicContact CD2-CE1 3.97Å; L443-A451 HydrophobicContact CD2-CB 3.92Å; L443-A451 HydrophobicContact CG-CB 4.18Å; L443-M488 HydrophobicContact CD1-CE 3.98Å; L443-L492 HydrophobicContact CD1-CD1 4.18Å; L443-L492 HydrophobicContact CD1-CD2 3.92Å; L443-L492 HydrophobicContact CD2-CD2 3.57Å; L443-L492 HydrophobicContact CG-CD2 4.37Å |
| 444 | R | 83.7 | Confident | 81.5 | Confident | 121 Ų | 121 | 48.4 Ų | 48.4 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.2 | -25.5 | 174.6 | -78.9 | 179.4 | -71.7 | 147.5 | 8.7 | 112.6 | E405 E440 M441 | E405-R444 VanDerWaalsContact CD-CZ 3.5Å; E405-R444 IonicContact OE1-CZ 3.8Å; E405-R444 IonicContact OE1-NE 2.78Å; E405-R444 IonicContact OE1-NH1 2.74Å; E405-R444 PolarHBondContact OE1-NH1 3.26Å; E405-R444 IonicContact OE1-NH2 2.77Å; E405-R444 PolarHBondContact OE1-NH2 3.49Å; E405-R444 IonicContact OE2-CZ 3.25Å; E405-R444 IonicContact OE2-NH1 3.23Å; E405-R444 PolarHBondContact OE2-NH1 2.9Å; E405-R444 IonicContact OE2-NH2 3.66Å; E405-R444 PolarHBondContact OE2-NH2 2.98Å; E440-R444 WeakPolarHBondContact O-CB 3.33Å; E440-R444 VanDerWaalsContact O-CG 3.31Å; E440-R444 WeakPolarHBondContact O-CG 3.16Å; E440-R444 PolarHBondContact O-N 3.41Å; E440-R444 PolarHBondContact O-NE 2.99Å; E440-R444 VanDerWaalsContact O-NE 3.16Å; M441-R444 PolarHBondContact O-N 2.99Å; M441-R444 VanDerWaalsContact O-N 3.09Å |
| 445 | H | 81.8 | Confident | 81.3 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 20.3 | 172.9 | -62.3 | -66.9 | 0 | 0 | 0 | 114 | E405 L410 M441 E442 L443 N447 | E405-H445 IonicContact OE1-NE2 2.78Å; L410-H445 VanDerWaalsContact CD2-NE2 3.29Å; L410-H445 WeakPolarHBondContact CD2-NE2 3.34Å; M441-H445 PolarHBondContact O-CD2 2.71Å; M441-H445 PolarHBondContact O-N 3.4Å; M441-H445 VanDerWaalsContact O-N 3.14Å; E442-H445 CarbonylContact O-C 3.35Å; E442-H445 PolarHBondContact O-N 2.75Å; L443-H445 PolarHBondContact O-N 2.9Å; H445-N447 PolarHBondContact O-N 2.86Å |
| 446 | E | 80.6 | Confident | 81.1 | Confident | 146 Ų | 146 | 52.9 Ų | 52.9 | 68% | 0.682 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 13.3 | 174.2 | -54 | -175.8 | 163.7 | 0 | 0 | 115.7 | E442 L443 Y448 | E442-E446 PolarHBondContact O-N 3.23Å; L443-E446 PolarHBondContact O-N 3.36Å; L443-E446 VanDerWaalsContact O-N 3.13Å; E446-Y448 VanDerWaalsContact C-N 3.26Å; E446-Y448 HydrophobicContact CB-CE2 4.09Å; E446-Y448 WeakPolarHBondContact O-CD2 3.36Å; E446-Y448 WeakPolarHBondContact O-CE2 3.39Å; E446-Y448 PolarHBondContact O-N 2.85Å |
| 447 | N | 83.5 | Confident | 81 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | trans | -85.1 | 56.4 | -178.5 | -69.1 | -41.9 | 0 | 0 | 0 | 112.2 | R414 E442 H445 D449 Q450 A451 | R414-N447 PolarHBondContact NH2-ND2 3.09Å; E442-N447 HydrophobicContact CB-CB 4.26Å; E442-N447 PolarHBondContact O-N 3.39Å; E442-N447 WeakPolarHBondContact OE2-CB 3.16Å; E442-N447 PolarHBondContact OE2-ND2 3.25Å; H445-N447 PolarHBondContact O-N 2.86Å; N447-D449 VanDerWaalsContact C-N 3.34Å; N447-D449 PolarHBondContact O-N 3.02Å; N447-Q450 HydrophobicContact CB-CB 4.05Å; N447-Q450 WeakPolarHBondContact O-CA 3.36Å; N447-Q450 WeakPolarHBondContact O-CB 3.25Å; N447-Q450 PolarHBondContact O-N 3.3Å; N447-A451 PolarHBondContact O-N 2.86Å | ||
| 448 | Y | 79.3 | Confident | 80.6 | Confident | 101 Ų | 101 | 56.9 Ų | 56.9 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -52.2 | -43.6 | -174 | -57.1 | -65.6 | 0 | 0 | 0 | 114.3 | L443 E446 Q450 A451 L452 L496 | L443-Y448 HydrophobicContact CD2-CD1 3.62Å; L443-Y448 HydrophobicContact CD2-CE1 3.97Å; E446-Y448 VanDerWaalsContact C-N 3.26Å; E446-Y448 HydrophobicContact CB-CE2 4.09Å; E446-Y448 WeakPolarHBondContact O-CD2 3.36Å; E446-Y448 WeakPolarHBondContact O-CE2 3.39Å; E446-Y448 PolarHBondContact O-N 2.85Å; Y448-Q450 VanDerWaalsContact C-N 3.26Å; Y448-Q450 PolarHBondContact O-N 2.96Å; Y448-A451 PolarHBondContact O-N 3.14Å; Y448-L452 PolarHBondContact O-N 3.46Å; Y448-L496 HydrophobicContact CD1-CD1 3.88Å; Y448-L496 HydrophobicContact CD1-CD2 4.28Å; Y448-L496 HydrophobicContact CG-CD1 4.17Å; Y448-L496 HydrophobicContact CG-CD2 4.15Å |
| 449 | D | 80.4 | Confident | 79.8 | Confident | 119 Ų | 119 | 56.8 Ų | 56.8 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.7 | -29.6 | 176.9 | -81.6 | -27.3 | 0 | 0 | 0 | 113.7 | N447 R453 | N447-D449 VanDerWaalsContact C-N 3.34Å; N447-D449 PolarHBondContact O-N 3.02Å; D449-R453 WeakPolarHBondContact O-CB 3.23Å; D449-R453 WeakPolarHBondContact O-CG 3.42Å; D449-R453 PolarHBondContact O-N 3.11Å; D449-R453 PolarHBondContact O-NE 2.88Å |
| 450 | Q | 78.9 | Confident | 79.4 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -81.7 | -41.2 | 178.9 | -170.3 | 66.3 | -1.7 | 0 | 0 | 109.9 | E442 N447 Y448 L452 R453 I454 | E442-Q450 HydrophobicContact CG-CG 4.44Å; N447-Q450 HydrophobicContact CB-CB 4.05Å; N447-Q450 WeakPolarHBondContact O-CA 3.36Å; N447-Q450 WeakPolarHBondContact O-CB 3.25Å; N447-Q450 PolarHBondContact O-N 3.3Å; Y448-Q450 VanDerWaalsContact C-N 3.26Å; Y448-Q450 PolarHBondContact O-N 2.96Å; Q450-L452 PolarHBondContact O-N 2.79Å; Q450-R453 PolarHBondContact O-N 2.93Å; Q450-R453 VanDerWaalsContact O-N 3.17Å; Q450-I454 HydrophobicContact CG-CD1 3.92Å; Q450-I454 WeakPolarHBondContact O-CB 3.5Å; Q450-I454 WeakPolarHBondContact O-CD1 3.46Å; Q450-I454 VanDerWaalsContact O-CG1 3.25Å; Q450-I454 WeakPolarHBondContact O-CG1 3.23Å; Q450-I454 PolarHBondContact O-N 3.5Å |
| 451 | A | 80.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.5 | -46.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E442 L443 N447 Y448 R453 I454 L455 | E442-A451 HydrophobicContact CB-CB 4.11Å; L443-A451 HydrophobicContact CD2-CB 3.92Å; L443-A451 HydrophobicContact CG-CB 4.18Å; N447-A451 PolarHBondContact O-N 2.86Å; Y448-A451 PolarHBondContact O-N 3.14Å; A451-R453 PolarHBondContact O-N 3.12Å; A451-I454 PolarHBondContact O-N 2.95Å; A451-L455 WeakPolarHBondContact O-CG 3.44Å; A451-L455 PolarHBondContact O-N 2.73Å |
| 452 | L | 79.1 | Confident | 77.2 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.1 | -75.7 | 173.8 | 0 | 0 | 0 | 112.3 | Y448 Q450 R456 L489 L492 E493 L496 | Y448-L452 PolarHBondContact O-N 3.46Å; Q450-L452 PolarHBondContact O-N 2.79Å; L452-R456 VanDerWaalsContact O-CB 3.23Å; L452-R456 WeakPolarHBondContact O-CB 3.37Å; L452-R456 WeakPolarHBondContact O-CD 3.39Å; L452-R456 WeakPolarHBondContact O-CG 3.49Å; L452-R456 PolarHBondContact O-N 3.49Å; L452-L489 HydrophobicContact CD2-CD1 4.23Å; L452-L492 HydrophobicContact CD2-CB 3.99Å; L452-E493 HydrophobicContact CD2-CG 3.96Å; L452-L496 HydrophobicContact CD1-CB 4.41Å |
| 453 | R | 81.8 | Confident | 75.9 | Confident | 147 Ų | 147 | 68.7 Ų | 68.7 | 56% | 0.555 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.5 | -39.4 | 175.4 | -83.8 | 177.8 | -83.1 | 167.4 | -12.1 | 112.7 | D449 Q450 A451 K457 | D449-R453 WeakPolarHBondContact O-CB 3.23Å; D449-R453 WeakPolarHBondContact O-CG 3.42Å; D449-R453 PolarHBondContact O-N 3.11Å; D449-R453 PolarHBondContact O-NE 2.88Å; Q450-R453 PolarHBondContact O-N 2.93Å; Q450-R453 VanDerWaalsContact O-N 3.17Å; A451-R453 PolarHBondContact O-N 3.12Å; R453-K457 VanDerWaalsContact O-CB 3.3Å; R453-K457 WeakPolarHBondContact O-CB 3.43Å; R453-K457 PolarHBondContact O-N 3.07Å |
| 454 | I | 80.9 | Confident | 74.5 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 4% | 0.036 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.6 | -48.9 | 177.4 | -76.7 | 162.3 | 0 | 0 | 0 | 110.7 | W435 Y438 E442 Q450 A451 K457 A458 | W435-I454 HydrophobicContact CE3-CG2 3.74Å; W435-I454 HydrophobicContact CZ3-CG2 3.83Å; W435-I454 WeakPolarHBondContact CZ3-O 3.45Å; Y438-I454 HydrophobicContact CD1-CD1 4.12Å; Y438-I454 HydrophobicContact CD1-CG1 4.28Å; Y438-I454 HydrophobicContact CD1-CG2 3.48Å; Y438-I454 VanDerWaalsContact CD1-CG2 3.48Å; Y438-I454 HydrophobicContact CD2-CD1 4.3Å; Y438-I454 HydrophobicContact CE1-CB 4.41Å; Y438-I454 HydrophobicContact CE1-CD1 3.6Å; Y438-I454 HydrophobicContact CE1-CG1 3.71Å; Y438-I454 HydrophobicContact CE1-CG2 3.8Å; Y438-I454 HydrophobicContact CE2-CD1 3.78Å; Y438-I454 HydrophobicContact CG-CD1 4.45Å; Y438-I454 HydrophobicContact CG-CG2 4.11Å; E442-I454 HydrophobicContact CG-CD1 3.72Å; Q450-I454 HydrophobicContact CG-CD1 3.92Å; Q450-I454 WeakPolarHBondContact O-CB 3.5Å; Q450-I454 WeakPolarHBondContact O-CD1 3.46Å; Q450-I454 VanDerWaalsContact O-CG1 3.25Å; Q450-I454 WeakPolarHBondContact O-CG1 3.23Å; Q450-I454 PolarHBondContact O-N 3.5Å; A451-I454 PolarHBondContact O-N 2.95Å; I454-K457 WeakPolarHBondContact O-CB 3.35Å; I454-K457 PolarHBondContact O-N 2.99Å; I454-A458 PolarHBondContact O-N 3.02Å |
| 455 | L | 78.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.1 | -35.5 | 179.8 | -66.4 | 171.4 | 0 | 0 | 0 | 112.4 | A451 K457 A458 T459 V485 M488 L489 L492 | A451-L455 WeakPolarHBondContact O-CG 3.44Å; A451-L455 PolarHBondContact O-N 2.73Å; L455-K457 VanDerWaalsContact C-N 3.3Å; L455-K457 PolarHBondContact O-N 3.3Å; L455-A458 WeakPolarHBondContact O-CB 3.43Å; L455-A458 PolarHBondContact O-N 3.13Å; L455-T459 PolarHBondContact O-N 3.32Å; L455-T459 PolarHBondContact O-OG1 3.09Å; L455-V485 HydrophobicContact CD2-CG1 4.03Å; L455-M488 HydrophobicContact CD1-CG 4.1Å; L455-L489 HydrophobicContact CB-CB 4.45Å; L455-L489 HydrophobicContact CB-CD1 3.96Å; L455-L492 HydrophobicContact CD1-CD1 3.27Å |
| 456 | R | 80.3 | Confident | 71.7 | Confident | 115 Ų | 115 | 73.7 Ų | 73.7 | 43% | 0.434 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.5 | -31.4 | 169.8 | -71.4 | 170.1 | 178.7 | 175.4 | 0.9 | 112.6 | L452 A460 L489 E493 | L452-R456 VanDerWaalsContact O-CB 3.23Å; L452-R456 WeakPolarHBondContact O-CB 3.37Å; L452-R456 WeakPolarHBondContact O-CD 3.39Å; L452-R456 WeakPolarHBondContact O-CG 3.49Å; L452-R456 PolarHBondContact O-N 3.49Å; R456-A460 PolarHBondContact O-N 2.89Å; R456-L489 HydrophobicContact CG-CD1 4.28Å; R456-E493 IonicContact CZ-OE1 2.71Å; R456-E493 IonicContact NE-OE1 3.61Å; R456-E493 PolarHBondContact NE-OE1 3.24Å; R456-E493 VanDerWaalsContact NH2-CD 3.3Å; R456-E493 IonicContact NH2-OE1 3.84Å; R456-E493 PolarHBondContact NH2-OE1 3.46Å; R456-E493 IonicContact NH2-OE2 3.13Å; R456-E493 PolarHBondContact NH2-OE2 3.41Å; R456-E493 VanDerWaalsContact NH2-OE2 3.15Å |
| 457 | K | 79.9 | Confident | 70.4 | Confident | 120 Ų | 120 | 73.6 Ų | 73.6 | 52% | 0.522 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70 | -36.4 | 171.4 | -177.6 | -178.1 | 177 | -174.9 | 0 | 111.3 | E418 W435 R453 I454 L455 | E418-K457 IonicContact OE1-NZ 2.71Å; E418-K457 PolarHBondContact OE1-NZ 3.35Å; W435-K457 HydrophobicContact CH2-CD 4.13Å; W435-K457 HydrophobicContact CH2-CG 4.12Å; R453-K457 VanDerWaalsContact O-CB 3.3Å; R453-K457 WeakPolarHBondContact O-CB 3.43Å; R453-K457 PolarHBondContact O-N 3.07Å; I454-K457 WeakPolarHBondContact O-CB 3.35Å; I454-K457 PolarHBondContact O-N 2.99Å; L455-K457 VanDerWaalsContact C-N 3.3Å; L455-K457 PolarHBondContact O-N 3.3Å |
| 458 | A | 71.3 | Confident | 68.9 | Low | 6 Ų | 6 | 73.4 Ų | 73.4 | 5% | 0.05 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.9 | -32.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | W435 I454 L455 V479 V485 | W435-A458 HydrophobicContact CB-CB 4.21Å; W435-A458 HydrophobicContact CD2-CB 3.48Å; W435-A458 VanDerWaalsContact CD2-CB 3.48Å; W435-A458 HydrophobicContact CE3-CB 3.7Å; W435-A458 HydrophobicContact CG-CB 3.73Å; W435-A458 HydrophobicContact CH2-CB 4.49Å; W435-A458 HydrophobicContact CZ2-CB 4.32Å; W435-A458 HydrophobicContact CZ3-CB 4.2Å; I454-A458 PolarHBondContact O-N 3.02Å; L455-A458 WeakPolarHBondContact O-CB 3.43Å; L455-A458 PolarHBondContact O-N 3.13Å; A458-V479 HydrophobicContact CB-CG1 4.44Å; A458-V485 HydrophobicContact CB-CG1 3.9Å |
| 459 | T | 65.6 | Low | 67.5 | Low | 8 Ų | 8 | 77.1 Ų | 77.1 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -93.4 | 1.4 | 179.9 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | L455 I461 V485 W486 L489 | L455-T459 PolarHBondContact O-N 3.32Å; L455-T459 PolarHBondContact O-OG1 3.09Å; T459-I461 PolarHBondContact O-N 3.04Å; T459-V485 HydrophobicContact CG2-CG1 3.76Å; T459-W486 HydrophobicContact CG2-CD2 3.84Å; T459-W486 HydrophobicContact CG2-CE3 4.14Å; T459-W486 HydrophobicContact CG2-CG 4.31Å; T459-W486 HydrophobicContact CG2-CH2 4.31Å; T459-W486 HydrophobicContact CG2-CZ2 4.01Å; T459-W486 HydrophobicContact CG2-CZ3 4.37Å; T459-L489 HydrophobicContact CG2-CD2 3.75Å; T459-L489 WeakPolarHBondContact OG1-CD2 3.47Å |
| 460 | A | 72 | Confident | 66.2 | Low | 60 Ų | 60 | 74.3 Ų | 74.3 | 50% | 0.496 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 121.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R456 P462 | R456-A460 PolarHBondContact O-N 2.89Å; A460-P462 VanDerWaalsContact O-CD 3.3Å; A460-P462 WeakPolarHBondContact O-CD 3.19Å |
| 461 | I | 59.4 | Low | 65 | Low | 87 Ų | 87 | 76.7 Ų | 76.7 | 45% | 0.446 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 119.8 | -178 | -57.5 | 171.3 | 0 | 0 | 0 | 109.2 | T459 Y480 | T459-I461 PolarHBondContact O-N 3.04Å; I461-Y480 HydrophobicContact CG1-CD2 4.23Å; I461-Y480 HydrophobicContact CG2-CE2 4.3Å |
| 462 | P | 60.5 | Low | 63.7 | Low | 32 Ų | 32 | 81.3 Ų | 81.3 | 21% | 0.208 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 154 | 174.4 | -17.4 | 30.6 | 0 | 0 | 0 | 111.7 | A460 K464 N477 Y480 | A460-P462 VanDerWaalsContact O-CD 3.3Å; A460-P462 WeakPolarHBondContact O-CD 3.19Å; P462-K464 PolarHBondContact O-N 2.93Å; P462-K464 VanDerWaalsContact O-N 3.08Å; P462-N477 HydrophobicContact CG-CB 4.43Å; P462-Y480 HydrophobicContact CG-CD1 3.91Å; P462-Y480 HydrophobicContact CG-CE1 4.13Å |
| 463 | S | 52 | Low | 62.8 | Low | 134 Ų | 134 | 83 Ų | 83 | 94% | 0.937 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -64.5 | -14.4 | -178.9 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 464 | K | 55 | Low | 61.8 | Low | 146 Ų | 146 | 78.4 Ų | 78.4 | 64% | 0.635 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -113.8 | 127.7 | 168.9 | -69.8 | -178.3 | 175.7 | -176 | 0 | 109.7 | P462 A466 | P462-K464 PolarHBondContact O-N 2.93Å; P462-K464 VanDerWaalsContact O-N 3.08Å; K464-A466 PolarHBondContact O-N 3.18Å |
| 465 | K | 52.9 | Low | 60.6 | Low | 180 Ų | 180 | 78.1 Ų | 78.1 | 78% | 0.783 | 41% | 0.41 | S | S | * | . | trans | -83.6 | 92.7 | 176.5 | -68.5 | -176.1 | 177.7 | -176.3 | 0 | 110.2 | Y480 | K465-Y480 WeakPolarHBondContact CA-OH 3.26Š| ||
| 466 | A | 53.3 | Low | 59.7 | Low | 4 Ų | 4 | 81.8 Ų | 81.8 | 3% | 0.033 | 43% | 0.427 | C | S | . | . | trans | -74.3 | 150.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K464 E473 N477 R478 K481 | K464-A466 PolarHBondContact O-N 3.18Å; A466-E473 HydrophobicContact CB-CB 4.34Å; A466-E473 HydrophobicContact CB-CG 4.41Å; A466-E473 WeakPolarHBondContact CB-OE2 3.13Å; A466-N477 HydrophobicContact CB-CB 4.24Å; A466-R478 HydrophobicContact CB-CG 4.37Å; A466-K481 WeakPolarHBondContact O-CE 3.31Å; A466-K481 PolarHBondContact O-NZ 3.2Å | ||
| 467 | E | 52.6 | Low | 58.8 | Low | 144 Ų | 144 | 78.5 Ų | 78.5 | 67% | 0.673 | 42% | 0.418 | S | S | * | . | trans | -74.9 | 150.4 | 169.4 | -67.2 | -157.6 | 154.7 | 0 | 0 | 111.8 | F469 D470 R478 | E467-F469 VanDerWaalsContact C-N 3.27Å; E467-F469 PolarHBondContact O-N 3.2Å; E467-D470 HydrophobicContact CB-CB 4.31Å; E467-D470 PolarHBondContact O-N 2.83Å; E467-R478 VanDerWaalsContact O-CD 3.28Å; E467-R478 WeakPolarHBondContact O-CD 3.5Å | ||
| 468 | Y | 53.2 | Low | 57.9 | Low | 58 Ų | 58 | 73.5 Ų | 73.5 | 23% | 0.227 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -33.7 | -174.8 | -172.3 | -109.6 | 0 | 0 | 0 | 112.8 | V428 D429 R478 K481 | V428-Y468 HydrophobicContact CB-CE2 3.76Å; V428-Y468 HydrophobicContact CG1-CE2 3.78Å; V428-Y468 HydrophobicContact CG2-CD2 4.16Å; V428-Y468 HydrophobicContact CG2-CE2 3.83Å; D429-Y468 PolarHBondContact OD1-OH 3.09Å; Y468-R478 VanDerWaalsContact O-CD 3.26Å; Y468-R478 WeakPolarHBondContact O-CD 3.26Å; Y468-R478 PolarHBondContact O-NH1 3.39Å; Y468-K481 HydrophobicContact CD2-CB 3.6Å; Y468-K481 HydrophobicContact CD2-CD 4.39Å; Y468-K481 HydrophobicContact CE2-CB 4.11Å |
| 469 | F | 50 | Low | 57.5 | Low | 179 Ų | 179 | 73.4 Ų | 73.4 | 79% | 0.785 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -2.2 | -174.8 | -63.6 | -72.2 | 0 | 0 | 0 | 114.1 | E467 S471 | E467-F469 VanDerWaalsContact C-N 3.27Å; E467-F469 PolarHBondContact O-N 3.2Å; F469-S471 PolarHBondContact O-N 3.17Å; F469-S471 VanDerWaalsContact O-N 3.13Å |
| 470 | D | 51.9 | Low | 57.5 | Low | 60 Ų | 60 | 73.2 Ų | 73.2 | 32% | 0.321 | 39% | 0.393 | S | S | . | . | trans | -69.3 | 112.3 | 177.8 | -170.1 | -12.1 | 0 | 0 | 0 | 109.9 | E467 S472 R478 | E467-D470 HydrophobicContact CB-CB 4.31Å; E467-D470 PolarHBondContact O-N 2.83Å; D470-S472 VanDerWaalsContact C-N 3.28Å; D470-S472 VanDerWaalsContact CG-OG 3.23Å; D470-S472 VanDerWaalsContact OD1-CB 3.26Å; D470-S472 WeakPolarHBondContact OD1-CB 3.31Å; D470-S472 PolarHBondContact OD1-N 2.83Å; D470-S472 PolarHBondContact OD1-OG 3.37Å; D470-S472 PolarHBondContact OD2-OG 2.87Å; D470-R478 PolarHBondContact O-NE 3.01Å; D470-R478 PolarHBondContact O-NH1 2.97Å; D470-R478 PolarHBondContact O-NH2 3.33Å; D470-R478 VanDerWaalsContact O-NH2 3.16Å | ||
| 471 | S | 53.8 | Low | 57.3 | Low | 109 Ų | 109 | 72.4 Ų | 72.4 | 76% | 0.762 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -79.2 | -9 | 179.4 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | F469 | F469-S471 PolarHBondContact O-N 3.17Å; F469-S471 VanDerWaalsContact O-N 3.13Å |
| 472 | S | 54.4 | Low | 58.1 | Low | 98 Ų | 98 | 68.3 Ų | 68.3 | 69% | 0.685 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -80.3 | -25.3 | 177.9 | 75.1 | 0 | 0 | 0 | 0 | 113.5 | D470 | D470-S472 VanDerWaalsContact C-N 3.28Å; D470-S472 VanDerWaalsContact CG-OG 3.23Å; D470-S472 VanDerWaalsContact OD1-CB 3.26Å; D470-S472 WeakPolarHBondContact OD1-CB 3.31Å; D470-S472 PolarHBondContact OD1-N 2.83Å; D470-S472 PolarHBondContact OD1-OG 3.37Å; D470-S472 PolarHBondContact OD2-OG 2.87Å |
| 473 | E | 58.8 | Low | 58.8 | Low | 49 Ų | 49 | 69.1 Ų | 69.1 | 23% | 0.229 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -94.7 | 145.2 | 177.8 | -76.9 | -144 | -162.9 | 0 | 0 | 113.4 | A466 N477 R478 | A466-E473 HydrophobicContact CB-CB 4.34Å; A466-E473 HydrophobicContact CB-CG 4.41Å; A466-E473 WeakPolarHBondContact CB-OE2 3.13Å; E473-N477 PolarHBondContact OE2-ND2 2.88Å; E473-R478 PolarHBondContact O-NE 3.49Å; E473-R478 PolarHBondContact O-NH2 2.95Å |
| 474 | P | 60.3 | Low | 60.1 | Low | 50 Ų | 50 | 67.5 Ų | 67.5 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | trans | -50.3 | 139.4 | 173.3 | -29.3 | 36.9 | 0 | 0 | 0 | 113.3 | Q476 N477 | P474-Q476 PolarHBondContact O-N 3.44Å; P474-Q476 VanDerWaalsContact O-N 3.16Å; P474-N477 WeakPolarHBondContact O-CB 3.23Å; P474-N477 PolarHBondContact O-N 3.39Å | ||
| 475 | V | 57.6 | Low | 61.4 | Low | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -61.6 | -25.9 | 178.7 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | Y425 V428 L431 N477 R478 V479 | Y425-V475 WeakPolarHBondContact O-CG2 3.36Å; V428-V475 HydrophobicContact CB-CG1 4.24Å; V428-V475 HydrophobicContact CG1-CG1 4.28Å; V428-V475 HydrophobicContact CG2-CG1 4.23Å; L431-V475 HydrophobicContact CB-CG1 3.89Å; L431-V475 HydrophobicContact CD2-CB 4.38Å; L431-V475 HydrophobicContact CD2-CG1 3.94Å; V475-N477 VanDerWaalsContact C-N 3.26Å; V475-N477 PolarHBondContact O-N 3.23Å; V475-R478 CarbonylContact O-C 3.5Å; V475-R478 WeakPolarHBondContact O-CA 3.33Å; V475-R478 WeakPolarHBondContact O-CB 3.43Å; V475-R478 PolarHBondContact O-N 3.49Å; V475-V479 WeakPolarHBondContact O-CG2 3.28Å; V475-V479 PolarHBondContact O-N 3.28Å; V475-V479 VanDerWaalsContact O-N 3.12Å |
| 476 | Q | 59.8 | Low | 62.8 | Low | 77 Ų | 77 | 52 Ų | 52 | 36% | 0.36 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -54.4 | -39.8 | 171.4 | -71.3 | 158.6 | 32.7 | 0 | 0 | 112.5 | T421 K422 L431 P474 R478 V479 | T421-Q476 WeakPolarHBondContact O-CG 3.19Å; T421-Q476 PolarHBondContact O-NE2 3.46Å; K422-Q476 VanDerWaalsContact CA-NE2 3.33Å; K422-Q476 PolarHBondContact O-NE2 3.19Å; L431-Q476 HydrophobicContact CD2-CG 3.87Å; P474-Q476 PolarHBondContact O-N 3.44Å; P474-Q476 VanDerWaalsContact O-N 3.16Å; Q476-R478 PolarHBondContact O-N 2.83Å; Q476-R478 VanDerWaalsContact O-N 3.16Å; Q476-V479 PolarHBondContact O-N 3.06Å |
| 477 | N | 61.2 | Low | 64.2 | Low | 45 Ų | 45 | 53.4 Ų | 53.4 | 24% | 0.241 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -71.7 | -4.7 | 175.5 | -70.1 | -3.2 | 0 | 0 | 0 | 113.1 | P462 A466 E473 P474 V475 Y480 | P462-N477 HydrophobicContact CG-CB 4.43Å; A466-N477 HydrophobicContact CB-CB 4.24Å; E473-N477 PolarHBondContact OE2-ND2 2.88Å; P474-N477 WeakPolarHBondContact O-CB 3.23Å; P474-N477 PolarHBondContact O-N 3.39Å; V475-N477 VanDerWaalsContact C-N 3.26Å; V475-N477 PolarHBondContact O-N 3.23Å; N477-Y480 VanDerWaalsContact O-CD1 3.23Å; N477-Y480 WeakPolarHBondContact O-CD1 3.25Å; N477-Y480 WeakPolarHBondContact O-CE1 3.49Å |
| 478 | R | 59.9 | Low | 65.6 | Low | 15 Ų | 15 | 48.3 Ų | 48.3 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -114.4 | -12.1 | -177.7 | -62 | -177.7 | -91 | 157.3 | -12.3 | 113.3 | V428 A466 E467 Y468 D470 E473 V475 Q476 Y480 K481 | V428-R478 HydrophobicContact CG1-CB 4.06Å; V428-R478 WeakPolarHBondContact CG1-O 3.45Å; V428-R478 HydrophobicContact CG2-CB 3.75Å; A466-R478 HydrophobicContact CB-CG 4.37Å; E467-R478 VanDerWaalsContact O-CD 3.28Å; E467-R478 WeakPolarHBondContact O-CD 3.5Å; Y468-R478 VanDerWaalsContact O-CD 3.26Å; Y468-R478 WeakPolarHBondContact O-CD 3.26Å; Y468-R478 PolarHBondContact O-NH1 3.39Å; D470-R478 PolarHBondContact O-NE 3.01Å; D470-R478 PolarHBondContact O-NH1 2.97Å; D470-R478 PolarHBondContact O-NH2 3.33Å; D470-R478 VanDerWaalsContact O-NH2 3.16Å; E473-R478 PolarHBondContact O-NE 3.49Å; E473-R478 PolarHBondContact O-NH2 2.95Å; V475-R478 CarbonylContact O-C 3.5Å; V475-R478 WeakPolarHBondContact O-CA 3.33Å; V475-R478 WeakPolarHBondContact O-CB 3.43Å; V475-R478 PolarHBondContact O-N 3.49Å; Q476-R478 PolarHBondContact O-N 2.83Å; Q476-R478 VanDerWaalsContact O-N 3.16Å; R478-Y480 VanDerWaalsContact C-N 3.27Å; R478-Y480 PolarHBondContact O-N 3.43Å; R478-K481 WeakPolarHBondContact O-CA 3.26Å; R478-K481 WeakPolarHBondContact O-CB 3.47Å; R478-K481 PolarHBondContact O-N 3.43Å |
| 479 | V | 63.3 | Low | 66.9 | Low | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -58.9 | -37.1 | 179.5 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | L431 A458 V475 Q476 K481 S482 V485 | L431-V479 HydrophobicContact CB-CG2 4.21Å; L431-V479 HydrophobicContact CD2-CG2 3.31Å; L431-V479 HydrophobicContact CG-CG2 3.54Å; A458-V479 HydrophobicContact CB-CG1 4.44Å; V475-V479 WeakPolarHBondContact O-CG2 3.28Å; V475-V479 PolarHBondContact O-N 3.28Å; V475-V479 VanDerWaalsContact O-N 3.12Å; Q476-V479 PolarHBondContact O-N 3.06Å; V479-K481 PolarHBondContact O-N 2.97Å; V479-S482 WeakPolarHBondContact O-CB 3.32Å; V479-S482 PolarHBondContact O-N 3.36Å; V479-S482 PolarHBondContact O-OG 3.3Å; V479-V485 HydrophobicContact CG1-CG2 4.36Å |
| 480 | Y | 66.3 | Low | 68.4 | Low | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -61.1 | -9 | 175.4 | 86.2 | -91.3 | 0 | 0 | 0 | 113.4 | I461 P462 K465 N477 R478 W486 L512 | I461-Y480 HydrophobicContact CG1-CD2 4.23Å; I461-Y480 HydrophobicContact CG2-CE2 4.3Å; P462-Y480 HydrophobicContact CG-CD1 3.91Å; P462-Y480 HydrophobicContact CG-CE1 4.13Å; K465-Y480 WeakPolarHBondContact CA-OH 3.26Å; N477-Y480 VanDerWaalsContact O-CD1 3.23Å; N477-Y480 WeakPolarHBondContact O-CD1 3.25Å; N477-Y480 WeakPolarHBondContact O-CE1 3.49Å; R478-Y480 VanDerWaalsContact C-N 3.27Å; R478-Y480 PolarHBondContact O-N 3.43Å; Y480-W486 PolarHBondContact O-NE1 3.23Å; Y480-L512 HydrophobicContact CD2-CD1 4.15Å; Y480-L512 HydrophobicContact CD2-CD2 3.81Å; Y480-L512 HydrophobicContact CE2-CD2 3.56Å |
| 481 | K | 67.4 | Low | 69.8 | Low | 44 Ų | 44 | 38.4 Ų | 38.4 | 19% | 0.191 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -103.1 | 2.7 | 172.6 | -66.7 | -172.3 | 170.6 | 178.2 | 0 | 114.8 | A466 Y468 R478 V479 I514 | A466-K481 WeakPolarHBondContact O-CE 3.31Å; A466-K481 PolarHBondContact O-NZ 3.2Å; Y468-K481 HydrophobicContact CD2-CB 3.6Å; Y468-K481 HydrophobicContact CD2-CD 4.39Å; Y468-K481 HydrophobicContact CE2-CB 4.11Å; R478-K481 WeakPolarHBondContact O-CA 3.26Å; R478-K481 WeakPolarHBondContact O-CB 3.47Å; R478-K481 PolarHBondContact O-N 3.43Å; V479-K481 PolarHBondContact O-N 2.97Å; K481-I514 HydrophobicContact CB-CD1 3.61Å; K481-I514 HydrophobicContact CG-CD1 3.82Å; K481-I514 WeakPolarHBondContact O-CD1 3.48Å; K481-I514 WeakPolarHBondContact O-CG2 3.23Å |
| 482 | S | 75 | Confident | 71.1 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -82.6 | 120.9 | 178.1 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | V479 K484 V485 W486 | V479-S482 WeakPolarHBondContact O-CB 3.32Å; V479-S482 PolarHBondContact O-N 3.36Å; V479-S482 PolarHBondContact O-OG 3.3Å; S482-K484 VanDerWaalsContact C-N 3.3Å; S482-K484 PolarHBondContact O-N 2.98Å; S482-V485 PolarHBondContact O-N 3.02Å; S482-V485 VanDerWaalsContact OG-CG2 3.27Å; S482-V485 WeakPolarHBondContact OG-CG2 3.31Å; S482-W486 PolarHBondContact O-N 2.75Å | ||
| 483 | L | 76.8 | Confident | 72.2 | Confident | 49 Ų | 49 | 29.3 Ų | 29.3 | 26% | 0.257 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.8 | -36 | -178 | -172.3 | 58.7 | 0 | 0 | 0 | 112.5 | V485 W486 S487 I514 T516 I519 | L483-V485 VanDerWaalsContact C-N 3.32Å; L483-V485 PolarHBondContact O-N 3.18Å; L483-W486 CarbonylContact O-C 3.57Å; L483-W486 PolarHBondContact O-N 2.92Å; L483-W486 VanDerWaalsContact O-N 3.11Å; L483-S487 PolarHBondContact O-N 3.32Å; L483-S487 PolarHBondContact O-OG 2.9Å; L483-I514 HydrophobicContact CB-CG2 4.17Å; L483-I514 HydrophobicContact CD1-CG2 4.35Å; L483-I514 VanDerWaalsContact CD1-O 3.23Å; L483-I514 WeakPolarHBondContact CD1-O 3.24Å; L483-T516 HydrophobicContact CD2-CG2 3.53Å; L483-I519 HydrophobicContact CD1-CD1 3.54Å; L483-I519 HydrophobicContact CD2-CD1 4.19Å; L483-I519 HydrophobicContact CG-CD1 4.09Å |
| 484 | K | 79.3 | Confident | 73.2 | Confident | 100 Ų | 100 | 31.1 Ų | 31.1 | 44% | 0.435 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.9 | -37.4 | -177 | -164.4 | -168 | 173.9 | -166.8 | 0 | 113 | S482 S487 M488 | S482-K484 VanDerWaalsContact C-N 3.3Å; S482-K484 PolarHBondContact O-N 2.98Å; K484-S487 PolarHBondContact O-OG 3.32Å; K484-S487 VanDerWaalsContact O-OG 3.11Å; K484-M488 WeakPolarHBondContact O-CB 3.38Å; K484-M488 PolarHBondContact O-N 3.09Å |
| 485 | V | 81.2 | Confident | 74.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.5 | -37.2 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | A432 W435 L455 A458 T459 V479 S482 L483 L489 | A432-V485 HydrophobicContact CB-CG2 3.81Å; W435-V485 HydrophobicContact CB-CG2 4.28Å; L455-V485 HydrophobicContact CD2-CG1 4.03Å; A458-V485 HydrophobicContact CB-CG1 3.9Å; T459-V485 HydrophobicContact CG2-CG1 3.76Å; V479-V485 HydrophobicContact CG1-CG2 4.36Å; S482-V485 PolarHBondContact O-N 3.02Å; S482-V485 VanDerWaalsContact OG-CG2 3.27Å; S482-V485 WeakPolarHBondContact OG-CG2 3.31Å; L483-V485 VanDerWaalsContact C-N 3.32Å; L483-V485 PolarHBondContact O-N 3.18Å; V485-L489 VanDerWaalsContact O-CB 3.29Å; V485-L489 WeakPolarHBondContact O-CB 3.46Å; V485-L489 PolarHBondContact O-N 2.86Å |
| 486 | W | 83.3 | Confident | 74.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.3 | -36.6 | 176.4 | -82.2 | 110.5 | 0 | 0 | 0 | 113.9 | T459 Y480 S482 L483 L489 A490 V505 R508 I509 L512 | T459-W486 HydrophobicContact CG2-CD2 3.84Å; T459-W486 HydrophobicContact CG2-CE3 4.14Å; T459-W486 HydrophobicContact CG2-CG 4.31Å; T459-W486 HydrophobicContact CG2-CH2 4.31Å; T459-W486 HydrophobicContact CG2-CZ2 4.01Å; T459-W486 HydrophobicContact CG2-CZ3 4.37Å; Y480-W486 PolarHBondContact O-NE1 3.23Å; S482-W486 PolarHBondContact O-N 2.75Å; L483-W486 CarbonylContact O-C 3.57Å; L483-W486 PolarHBondContact O-N 2.92Å; L483-W486 VanDerWaalsContact O-N 3.11Å; W486-L489 HydrophobicContact CE3-CD2 4.08Å; W486-L489 HydrophobicContact CZ3-CD2 3.99Å; W486-A490 WeakPolarHBondContact O-CB 3.49Å; W486-A490 PolarHBondContact O-N 3.48Å; W486-V505 HydrophobicContact CE3-CG1 4.01Å; W486-V505 HydrophobicContact CZ3-CG1 4.03Å; W486-V505 HydrophobicContact CZ3-CG2 4.49Å; W486-R508 HydrophobicContact CH2-CB 3.78Å; W486-R508 HydrophobicContact CZ2-CB 4.48Å; W486-R508 HydrophobicContact CZ3-CB 4.13Å; W486-I509 HydrophobicContact CB-CD1 3.95Å; W486-I509 HydrophobicContact CB-CG1 3.89Å; W486-I509 HydrophobicContact CD2-CD1 4.39Å; W486-I509 HydrophobicContact CD2-CG1 3.71Å; W486-I509 HydrophobicContact CE3-CD1 3.94Å; W486-I509 HydrophobicContact CE3-CG1 3.5Å; W486-I509 VanDerWaalsContact CE3-CG1 3.5Å; W486-I509 HydrophobicContact CG-CD1 4.44Å; W486-I509 HydrophobicContact CG-CG1 3.91Å; W486-I509 HydrophobicContact CZ3-CG1 4.26Å; W486-L512 HydrophobicContact CZ2-CD1 3.57Å |
| 487 | S | 82.6 | Confident | 75.1 | Confident | 34 Ų | 34 | 34.3 Ų | 34.3 | 24% | 0.238 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -49.7 | 174.2 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | L483 K484 L489 A490 D491 | L483-S487 PolarHBondContact O-N 3.32Å; L483-S487 PolarHBondContact O-OG 2.9Å; K484-S487 PolarHBondContact O-OG 3.32Å; K484-S487 VanDerWaalsContact O-OG 3.11Å; S487-L489 VanDerWaalsContact C-N 3.26Å; S487-L489 PolarHBondContact O-N 3.48Å; S487-A490 CarbonylContact O-C 3.58Å; S487-A490 WeakPolarHBondContact O-CA 3.08Å; S487-A490 WeakPolarHBondContact O-CB 2.97Å; S487-A490 PolarHBondContact O-N 2.82Å; S487-D491 PolarHBondContact O-N 3.36Å; S487-D491 VanDerWaalsContact O-OD2 3.13Å |
| 488 | M | 81.4 | Confident | 75.8 | Confident | 37 Ų | 37 | 36.4 Ų | 36.4 | 18% | 0.182 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -38.2 | 176.5 | -171.9 | 59.1 | 145.6 | 0 | 0 | 112.4 | E440 L443 L455 K484 L492 | E440-M488 HydrophobicContact CG-CE 3.44Å; E440-M488 VanDerWaalsContact CG-CE 3.44Å; L443-M488 HydrophobicContact CD1-CE 3.98Å; L455-M488 HydrophobicContact CD1-CG 4.1Å; K484-M488 WeakPolarHBondContact O-CB 3.38Å; K484-M488 PolarHBondContact O-N 3.09Å; M488-L492 HydrophobicContact CG-CD1 4.17Å; M488-L492 WeakPolarHBondContact O-CB 3.32Å; M488-L492 WeakPolarHBondContact O-CD1 3.41Å; M488-L492 VanDerWaalsContact O-CG 3.3Å; M488-L492 WeakPolarHBondContact O-CG 3.45Å; M488-L492 PolarHBondContact O-N 2.94Å; M488-L492 VanDerWaalsContact O-N 3.11Å; M488-L492 HydrophobicContact SD-CD1 4.41Å |
| 489 | L | 81.1 | Confident | 76.5 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -38 | 173.1 | -179.1 | 58.7 | 0 | 0 | 0 | 112.6 | L452 L455 R456 T459 V485 W486 S487 E493 V505 | L452-L489 HydrophobicContact CD2-CD1 4.23Å; L455-L489 HydrophobicContact CB-CB 4.45Å; L455-L489 HydrophobicContact CB-CD1 3.96Å; R456-L489 HydrophobicContact CG-CD1 4.28Å; T459-L489 HydrophobicContact CG2-CD2 3.75Å; T459-L489 WeakPolarHBondContact OG1-CD2 3.47Å; V485-L489 VanDerWaalsContact O-CB 3.29Å; V485-L489 WeakPolarHBondContact O-CB 3.46Å; V485-L489 PolarHBondContact O-N 2.86Å; W486-L489 HydrophobicContact CE3-CD2 4.08Å; W486-L489 HydrophobicContact CZ3-CD2 3.99Å; S487-L489 VanDerWaalsContact C-N 3.26Å; S487-L489 PolarHBondContact O-N 3.48Å; L489-E493 HydrophobicContact CD1-CG 3.87Å; L489-E493 HydrophobicContact CG-CG 4.33Å; L489-E493 WeakPolarHBondContact O-CB 3.11Å; L489-E493 WeakPolarHBondContact O-CG 3.44Å; L489-E493 PolarHBondContact O-N 3.23Å; L489-V505 HydrophobicContact CD2-CG2 4.27Å; L489-V505 HydrophobicContact CG-CG1 4.32Å; L489-V505 HydrophobicContact CG-CG2 4.3Å |
| 490 | A | 80.3 | Confident | 77.2 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.5 | -48.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | W486 S487 L492 E493 E494 V505 Y506 I509 | W486-A490 WeakPolarHBondContact O-CB 3.49Å; W486-A490 PolarHBondContact O-N 3.48Å; S487-A490 CarbonylContact O-C 3.58Å; S487-A490 WeakPolarHBondContact O-CA 3.08Å; S487-A490 WeakPolarHBondContact O-CB 2.97Å; S487-A490 PolarHBondContact O-N 2.82Å; A490-L492 PolarHBondContact O-N 2.94Å; A490-E493 CarbonylContact O-C 3.6Å; A490-E493 PolarHBondContact O-N 3.09Å; A490-E493 VanDerWaalsContact O-N 3.1Å; A490-E494 WeakPolarHBondContact O-CB 3.5Å; A490-E494 PolarHBondContact O-N 3.29Å; A490-V505 HydrophobicContact CB-CG1 4.19Å; A490-Y506 HydrophobicContact CB-CE1 3.8Å; A490-I509 HydrophobicContact CB-CD1 4.35Å |
| 491 | D | 82.9 | Confident | 77.8 | Confident | 83 Ų | 83 | 46.6 Ų | 46.6 | 44% | 0.444 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | 178.1 | -54.6 | -29.9 | 0 | 0 | 0 | 111.4 | S487 S495 | S487-D491 PolarHBondContact O-N 3.36Å; S487-D491 VanDerWaalsContact O-OD2 3.13Å; D491-S495 WeakPolarHBondContact O-CB 3.31Å; D491-S495 PolarHBondContact O-N 3.03Å; D491-S495 VanDerWaalsContact O-N 3.16Å; D491-S495 PolarHBondContact O-OG 3.25Å |
| 492 | L | 79.7 | Confident | 78.3 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.068 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74.8 | -37 | 174.3 | -75.6 | 165.4 | 0 | 0 | 0 | 113.9 | L443 L452 L455 M488 A490 E494 S495 L496 | L443-L492 HydrophobicContact CD1-CD1 4.18Å; L443-L492 HydrophobicContact CD1-CD2 3.92Å; L443-L492 HydrophobicContact CD2-CD2 3.57Å; L443-L492 HydrophobicContact CG-CD2 4.37Å; L452-L492 HydrophobicContact CD2-CB 3.99Å; L455-L492 HydrophobicContact CD1-CD1 3.27Å; M488-L492 HydrophobicContact CG-CD1 4.17Å; M488-L492 WeakPolarHBondContact O-CB 3.32Å; M488-L492 WeakPolarHBondContact O-CD1 3.41Å; M488-L492 VanDerWaalsContact O-CG 3.3Å; M488-L492 WeakPolarHBondContact O-CG 3.45Å; M488-L492 PolarHBondContact O-N 2.94Å; M488-L492 VanDerWaalsContact O-N 3.11Å; M488-L492 HydrophobicContact SD-CD1 4.41Å; A490-L492 PolarHBondContact O-N 2.94Å; L492-E494 VanDerWaalsContact C-N 3.32Å; L492-S495 WeakPolarHBondContact CA-OG 3.5Å; L492-S495 PolarHBondContact O-OG 2.89Å; L492-L496 HydrophobicContact CD2-CD1 3.75Å; L492-L496 VanDerWaalsContact O-CB 3.27Å; L492-L496 WeakPolarHBondContact O-CB 3.34Å; L492-L496 PolarHBondContact O-N 3.04Å |
| 493 | E | 78.7 | Confident | 78.6 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.5 | -16.5 | 175.5 | -66.5 | -101.4 | -164.6 | 0 | 0 | 112.4 | L452 R456 L489 A490 G497 S501 T502 V505 | L452-E493 HydrophobicContact CD2-CG 3.96Å; R456-E493 IonicContact CZ-OE1 2.71Å; R456-E493 IonicContact NE-OE1 3.61Å; R456-E493 PolarHBondContact NE-OE1 3.24Å; R456-E493 VanDerWaalsContact NH2-CD 3.3Å; R456-E493 IonicContact NH2-OE1 3.84Å; R456-E493 PolarHBondContact NH2-OE1 3.46Å; R456-E493 IonicContact NH2-OE2 3.13Å; R456-E493 PolarHBondContact NH2-OE2 3.41Å; R456-E493 VanDerWaalsContact NH2-OE2 3.15Å; L489-E493 HydrophobicContact CD1-CG 3.87Å; L489-E493 HydrophobicContact CG-CG 4.33Å; L489-E493 WeakPolarHBondContact O-CB 3.11Å; L489-E493 WeakPolarHBondContact O-CG 3.44Å; L489-E493 PolarHBondContact O-N 3.23Å; A490-E493 CarbonylContact O-C 3.6Å; A490-E493 PolarHBondContact O-N 3.09Å; A490-E493 VanDerWaalsContact O-N 3.1Å; E493-G497 WeakPolarHBondContact O-CA 3.25Å; E493-G497 PolarHBondContact O-N 3.01Å; E493-G497 VanDerWaalsContact O-N 3.11Å; E493-S501 WeakPolarHBondContact OE2-CB 3.09Å; E493-S501 PolarHBondContact OE2-OG 2.9Å; E493-T502 HydrophobicContact CB-CG2 4.38Å; E493-T502 PolarHBondContact O-OG1 2.99Å; E493-V505 HydrophobicContact CG-CG2 4.17Å |
| 494 | E | 79.9 | Confident | 78.8 | Confident | 87 Ų | 87 | 46.1 Ų | 46.1 | 41% | 0.407 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -79.7 | -39.3 | 170.7 | -168.5 | 172.8 | 141 | 0 | 0 | 111 | A490 L492 T502 Y506 F526 | A490-E494 WeakPolarHBondContact O-CB 3.5Å; A490-E494 PolarHBondContact O-N 3.29Å; L492-E494 VanDerWaalsContact C-N 3.32Å; E494-T502 HydrophobicContact CB-CG2 4.3Å; E494-Y506 PolarHBondContact OE2-OH 3.22Å; E494-F526 HydrophobicContact CG-CD2 4.05Å; E494-F526 HydrophobicContact CG-CE2 4.22Å |
| 495 | S | 78.2 | Confident | 78.9 | Confident | 87 Ų | 87 | 41.6 Ų | 41.6 | 61% | 0.608 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -82.8 | -32.1 | 179.2 | 51.9 | 0 | 0 | 0 | 0 | 115.1 | D491 L492 | D491-S495 WeakPolarHBondContact O-CB 3.31Å; D491-S495 PolarHBondContact O-N 3.03Å; D491-S495 VanDerWaalsContact O-N 3.16Å; D491-S495 PolarHBondContact O-OG 3.25Å; L492-S495 WeakPolarHBondContact CA-OG 3.5Å; L492-S495 PolarHBondContact O-OG 2.89Å |
| 496 | L | 71.3 | Confident | 78.9 | Confident | 79 Ų | 79 | 41.8 Ų | 41.8 | 41% | 0.414 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -122.2 | -13.7 | -174.1 | -58.6 | 157.2 | 0 | 0 | 0 | 113.8 | Y448 L452 L492 | Y448-L496 HydrophobicContact CD1-CD1 3.88Å; Y448-L496 HydrophobicContact CD1-CD2 4.28Å; Y448-L496 HydrophobicContact CG-CD1 4.17Å; Y448-L496 HydrophobicContact CG-CD2 4.15Å; L452-L496 HydrophobicContact CD1-CB 4.41Å; L492-L496 HydrophobicContact CD2-CD1 3.75Å; L492-L496 VanDerWaalsContact O-CB 3.27Å; L492-L496 WeakPolarHBondContact O-CB 3.34Å; L492-L496 PolarHBondContact O-N 3.04Å |
| 497 | G | 68.2 | Low | 78.8 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -85.8 | -179 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115 | E493 | E493-G497 WeakPolarHBondContact O-CA 3.25Å; E493-G497 PolarHBondContact O-N 3.01Å; E493-G497 VanDerWaalsContact O-N 3.11Å |
| 498 | T | 74.9 | Confident | 78.7 | Confident | 88 Ų | 88 | 47.9 Ų | 47.9 | 54% | 0.54 | 26% | 0.257 | S | S | . | . | trans | -101 | 145.1 | 172.8 | 63.9 | 0 | 0 | 0 | 0 | 109.1 | Q500 S501 T502 | T498-Q500 CarbonylContact O-C 3.54Å; T498-Q500 PolarHBondContact O-N 2.87Å; T498-S501 PolarHBondContact N-OG 3.36Å; T498-S501 WeakPolarHBondContact O-CA 3.49Å; T498-S501 PolarHBondContact O-N 3.45Å; T498-S501 PolarHBondContact O-OG 2.76Å; T498-S501 WeakPolarHBondContact OG1-CB 3.09Å; T498-S501 PolarHBondContact OG1-N 2.99Å; T498-S501 PolarHBondContact OG1-OG 3.03Å; T498-T502 PolarHBondContact O-N 3.39Å; T498-T502 PolarHBondContact O-OG1 3.1Å | ||
| 499 | F | 74.6 | Confident | 78.6 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 23% | 0.228 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -45.4 | -36.9 | 178.3 | 178.5 | -102.3 | 0 | 0 | 0 | 114.1 | K503 F526 L527 H530 Y532 | F499-K503 WeakPolarHBondContact O-CB 3.49Å; F499-K503 PolarHBondContact O-N 3.41Å; F499-F526 AromaticContact CD2-CE1 3.7Å; F499-F526 HydrophobicContact CD2-CE1 3.7Å; F499-F526 AromaticContact CD2-CZ 3.91Å; F499-F526 HydrophobicContact CD2-CZ 3.91Å; F499-F526 AromaticContact CE2-CE1 3.89Å; F499-F526 HydrophobicContact CE2-CE1 3.89Å; F499-F526 HydrophobicContact CE2-CZ 4.5Å; F499-L527 HydrophobicContact CE2-CD2 4Å; F499-L527 HydrophobicContact CZ-CD2 3.88Å; F499-H530 HydrophobicContact CD2-CB 4.01Å; F499-H530 AromaticContact CD2-CD2 3.47Å; F499-H530 VanDerWaalsContact CD2-CD2 3.47Å; F499-H530 WeakPolarHBondContact CD2-CD2 3.47Å; F499-H530 AromaticContact CD2-CG 3.65Å; F499-H530 AromaticContact CD2-NE2 3.92Å; F499-H530 HydrophobicContact CE2-CB 3.56Å; F499-H530 AromaticContact CE2-CD2 3.7Å; F499-H530 AromaticContact CE2-CG 3.71Å; F499-H530 HydrophobicContact CZ-CB 4.38Å; F499-Y532 AromaticContact CE1-CD2 3.96Å; F499-Y532 HydrophobicContact CE1-CD2 3.96Å; F499-Y532 AromaticContact CE1-CE2 3.71Å; F499-Y532 HydrophobicContact CE1-CE2 3.71Å; F499-Y532 AromaticContact CE2-CD2 3.97Å; F499-Y532 HydrophobicContact CE2-CD2 3.97Å; F499-Y532 HydrophobicContact CE2-CE2 4.26Å; F499-Y532 AromaticContact CZ-CD2 3.33Å; F499-Y532 HydrophobicContact CZ-CD2 3.33Å; F499-Y532 AromaticContact CZ-CE2 3.55Å; F499-Y532 HydrophobicContact CZ-CE2 3.55Å; F499-Y532 HydrophobicContact CZ-CG 4.01Å |
| 500 | Q | 78.9 | Confident | 78.6 | Confident | 160 Ų | 160 | 46.3 Ų | 46.3 | 75% | 0.748 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -73.3 | -37 | 176.6 | -63.5 | -176.7 | 5.9 | 0 | 0 | 113.8 | T498 A504 | T498-Q500 CarbonylContact O-C 3.54Å; T498-Q500 PolarHBondContact O-N 2.87Å; Q500-A504 VanDerWaalsContact O-CB 3.26Å; Q500-A504 WeakPolarHBondContact O-CB 3.17Å; Q500-A504 PolarHBondContact O-N 2.87Å |
| 501 | S | 77.6 | Confident | 78.5 | Confident | 26 Ų | 26 | 52.1 Ų | 52.1 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.2 | -43.7 | 176.5 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | E493 T498 K503 A504 V505 | E493-S501 WeakPolarHBondContact OE2-CB 3.09Å; E493-S501 PolarHBondContact OE2-OG 2.9Å; T498-S501 PolarHBondContact N-OG 3.36Å; T498-S501 WeakPolarHBondContact O-CA 3.49Å; T498-S501 PolarHBondContact O-N 3.45Å; T498-S501 PolarHBondContact O-OG 2.76Å; T498-S501 WeakPolarHBondContact OG1-CB 3.09Å; T498-S501 PolarHBondContact OG1-N 2.99Å; T498-S501 PolarHBondContact OG1-OG 3.03Å; S501-K503 PolarHBondContact O-N 2.96Å; S501-A504 PolarHBondContact O-N 3.06Å; S501-V505 WeakPolarHBondContact O-CG2 3.45Å; S501-V505 PolarHBondContact O-N 3.1Å |
| 502 | T | 78.3 | Confident | 78.2 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 174.2 | -33.9 | 0 | 0 | 0 | 0 | 111 | E493 E494 T498 A504 V505 Y506 F526 | E493-T502 HydrophobicContact CB-CG2 4.38Å; E493-T502 PolarHBondContact O-OG1 2.99Å; E494-T502 HydrophobicContact CB-CG2 4.3Å; T498-T502 PolarHBondContact O-N 3.39Å; T498-T502 PolarHBondContact O-OG1 3.1Å; T502-A504 PolarHBondContact O-N 3.04Å; T502-V505 PolarHBondContact O-N 2.91Å; T502-Y506 HydrophobicContact CG2-CD2 4.11Å; T502-Y506 HydrophobicContact CG2-CE2 3.8Å; T502-Y506 VanDerWaalsContact O-CD2 3.32Å; T502-Y506 WeakPolarHBondContact O-CD2 3.19Å; T502-Y506 PolarHBondContact O-N 3.12Å; T502-F526 HydrophobicContact CG2-CE1 3.93Å; T502-F526 HydrophobicContact CG2-CE2 4.07Å; T502-F526 HydrophobicContact CG2-CZ 3.68Å |
| 503 | K | 80.8 | Confident | 77.8 | Confident | 45 Ų | 45 | 59 Ų | 59 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -47 | 173.7 | -178.7 | 176.7 | 179.8 | 175.5 | 0 | 112.5 | F499 S501 V505 Y506 D507 Y523 E535 | F499-K503 WeakPolarHBondContact O-CB 3.49Å; F499-K503 PolarHBondContact O-N 3.41Å; S501-K503 PolarHBondContact O-N 2.96Å; K503-V505 VanDerWaalsContact C-N 3.27Å; K503-V505 PolarHBondContact O-N 3.13Å; K503-Y506 PolarHBondContact O-N 3.21Å; K503-D507 WeakPolarHBondContact O-CB 3.4Å; K503-D507 PolarHBondContact O-N 3.11Å; K503-Y523 HydrophobicContact CG-CE2 4.39Å; K503-E535 IonicContact NZ-OE1 2.69Å; K503-E535 PolarHBondContact NZ-OE1 2.82Å; K503-E535 IonicContact NZ-OE2 2.63Å; K503-E535 PolarHBondContact NZ-OE2 3.19Å |
| 504 | A | 82.3 | Confident | 77.2 | Confident | 35 Ų | 35 | 60.6 Ų | 60.6 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.7 | -28.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q500 S501 T502 R508 | Q500-A504 VanDerWaalsContact O-CB 3.26Å; Q500-A504 WeakPolarHBondContact O-CB 3.17Å; Q500-A504 PolarHBondContact O-N 2.87Å; S501-A504 PolarHBondContact O-N 3.06Å; T502-A504 PolarHBondContact O-N 3.04Å; A504-R508 WeakPolarHBondContact O-CB 3.45Å; A504-R508 VanDerWaalsContact O-CD 3.22Å; A504-R508 WeakPolarHBondContact O-CD 3.41Å; A504-R508 WeakPolarHBondContact O-CG 3.29Å; A504-R508 PolarHBondContact O-N 3.1Å |
| 505 | V | 81.4 | Confident | 76.6 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.9 | -51.1 | 172 | 164.8 | 0 | 0 | 0 | 0 | 110.3 | W486 L489 A490 E493 S501 T502 K503 R508 I509 | W486-V505 HydrophobicContact CE3-CG1 4.01Å; W486-V505 HydrophobicContact CZ3-CG1 4.03Å; W486-V505 HydrophobicContact CZ3-CG2 4.49Å; L489-V505 HydrophobicContact CD2-CG2 4.27Å; L489-V505 HydrophobicContact CG-CG1 4.32Å; L489-V505 HydrophobicContact CG-CG2 4.3Å; A490-V505 HydrophobicContact CB-CG1 4.19Å; E493-V505 HydrophobicContact CG-CG2 4.17Å; S501-V505 WeakPolarHBondContact O-CG2 3.45Å; S501-V505 PolarHBondContact O-N 3.1Å; T502-V505 PolarHBondContact O-N 2.91Å; K503-V505 VanDerWaalsContact C-N 3.27Å; K503-V505 PolarHBondContact O-N 3.13Å; V505-R508 WeakPolarHBondContact O-CB 3.44Å; V505-R508 PolarHBondContact O-N 3.11Å; V505-I509 HydrophobicContact CG1-CD1 4.04Å; V505-I509 WeakPolarHBondContact O-CG1 3.46Å; V505-I509 PolarHBondContact O-N 2.93Å |
| 506 | Y | 80.8 | Confident | 76.5 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 178.5 | -75.7 | -60.9 | 0 | 0 | 0 | 113.8 | A490 E494 T502 K503 R508 I509 I510 I519 Y523 | A490-Y506 HydrophobicContact CB-CE1 3.8Å; E494-Y506 PolarHBondContact OE2-OH 3.22Å; T502-Y506 HydrophobicContact CG2-CD2 4.11Å; T502-Y506 HydrophobicContact CG2-CE2 3.8Å; T502-Y506 VanDerWaalsContact O-CD2 3.32Å; T502-Y506 WeakPolarHBondContact O-CD2 3.19Å; T502-Y506 PolarHBondContact O-N 3.12Å; K503-Y506 PolarHBondContact O-N 3.21Å; Y506-R508 VanDerWaalsContact C-N 3.27Å; Y506-R508 PolarHBondContact O-N 3.42Å; Y506-I509 HydrophobicContact CD1-CD1 4.22Å; Y506-I509 PolarHBondContact O-N 3.37Å; Y506-I509 VanDerWaalsContact O-N 3.15Å; Y506-I510 WeakPolarHBondContact O-CG1 3.38Å; Y506-I510 PolarHBondContact O-N 3.34Å; Y506-I510 VanDerWaalsContact O-N 3.1Å; Y506-I519 HydrophobicContact CD1-CG2 4.07Å; Y506-I519 HydrophobicContact CE1-CG2 4.02Å; Y506-Y523 VanDerWaalsContact CB-CG 3.48Å; Y506-Y523 HydrophobicContact CD1-CD2 4.33Å; Y506-Y523 HydrophobicContact CD1-CG 4.15Å; Y506-Y523 AromaticContact CD2-CD2 3.35Å; Y506-Y523 HydrophobicContact CD2-CD2 3.35Å; Y506-Y523 HydrophobicContact CD2-CE2 4.02Å; Y506-Y523 AromaticContact CD2-CG 3.99Å; Y506-Y523 HydrophobicContact CD2-CG 3.99Å; Y506-Y523 HydrophobicContact CE2-CD2 4.2Å; Y506-Y523 HydrophobicContact CG-CD1 4.46Å; Y506-Y523 AromaticContact CG-CD2 3.43Å; Y506-Y523 HydrophobicContact CG-CD2 3.43Å; Y506-Y523 VanDerWaalsContact CG-CD2 3.43Å; Y506-Y523 HydrophobicContact CG-CE2 4.09Å; Y506-Y523 AromaticContact CG-CG 3.64Å; Y506-Y523 HydrophobicContact CG-CG 3.64Å |
| 507 | D | 80.7 | Confident | 76.8 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.4 | -40.7 | 173.6 | -84.3 | -31.7 | 0 | 0 | 0 | 111.1 | K503 I510 D511 Y523 R542 | K503-D507 WeakPolarHBondContact O-CB 3.4Å; K503-D507 PolarHBondContact O-N 3.11Å; D507-I510 PolarHBondContact O-N 3.49Å; D507-D511 PolarHBondContact O-N 2.8Å; D507-Y523 PolarHBondContact OD1-OH 3.2Å; D507-R542 IonicContact OD1-NH1 2.78Å; D507-R542 PolarHBondContact OD1-NH1 3.09Å |
| 508 | R | 80 | Confident | 77.3 | Confident | 127 Ų | 127 | 56.3 Ų | 56.3 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 175.7 | -73.7 | 167.4 | -170.4 | 179.6 | 3.9 | 113 | W486 A504 V505 Y506 I510 D511 L512 | W486-R508 HydrophobicContact CH2-CB 3.78Å; W486-R508 HydrophobicContact CZ2-CB 4.48Å; W486-R508 HydrophobicContact CZ3-CB 4.13Å; A504-R508 WeakPolarHBondContact O-CB 3.45Å; A504-R508 VanDerWaalsContact O-CD 3.22Å; A504-R508 WeakPolarHBondContact O-CD 3.41Å; A504-R508 WeakPolarHBondContact O-CG 3.29Å; A504-R508 PolarHBondContact O-N 3.1Å; V505-R508 WeakPolarHBondContact O-CB 3.44Å; V505-R508 PolarHBondContact O-N 3.11Å; Y506-R508 VanDerWaalsContact C-N 3.27Å; Y506-R508 PolarHBondContact O-N 3.42Å; R508-I510 VanDerWaalsContact C-N 3.28Å; R508-I510 PolarHBondContact O-N 3.4Å; R508-D511 PolarHBondContact O-N 2.93Å; R508-L512 WeakPolarHBondContact O-CB 3.48Å; R508-L512 WeakPolarHBondContact O-CG 3.48Å; R508-L512 PolarHBondContact O-N 3.42Å |
| 509 | I | 80.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 177 | -65.6 | 166.8 | 0 | 0 | 0 | 110.7 | W486 A490 V505 Y506 R513 I514 A515 I519 | W486-I509 HydrophobicContact CB-CD1 3.95Å; W486-I509 HydrophobicContact CB-CG1 3.89Å; W486-I509 HydrophobicContact CD2-CD1 4.39Å; W486-I509 HydrophobicContact CD2-CG1 3.71Å; W486-I509 HydrophobicContact CE3-CD1 3.94Å; W486-I509 HydrophobicContact CE3-CG1 3.5Å; W486-I509 VanDerWaalsContact CE3-CG1 3.5Å; W486-I509 HydrophobicContact CG-CD1 4.44Å; W486-I509 HydrophobicContact CG-CG1 3.91Å; W486-I509 HydrophobicContact CZ3-CG1 4.26Å; A490-I509 HydrophobicContact CB-CD1 4.35Å; V505-I509 HydrophobicContact CG1-CD1 4.04Å; V505-I509 WeakPolarHBondContact O-CG1 3.46Å; V505-I509 PolarHBondContact O-N 2.93Å; Y506-I509 HydrophobicContact CD1-CD1 4.22Å; Y506-I509 PolarHBondContact O-N 3.37Å; Y506-I509 VanDerWaalsContact O-N 3.15Å; I509-R513 PolarHBondContact O-N 3.4Å; I509-I514 PolarHBondContact O-N 3.15Å; I509-A515 HydrophobicContact CG2-CB 4.03Å; I509-I519 HydrophobicContact CG2-CG2 4.13Å |
| 510 | I | 80.4 | Confident | 77.9 | Confident | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -50.3 | 176 | -68.2 | 173.2 | 0 | 0 | 0 | 110.6 | Y506 D507 R508 L512 R513 Y523 R542 L546 | Y506-I510 WeakPolarHBondContact O-CG1 3.38Å; Y506-I510 PolarHBondContact O-N 3.34Å; Y506-I510 VanDerWaalsContact O-N 3.1Å; D507-I510 PolarHBondContact O-N 3.49Å; R508-I510 VanDerWaalsContact C-N 3.28Å; R508-I510 PolarHBondContact O-N 3.4Å; I510-L512 PolarHBondContact O-N 3.19Å; I510-R513 WeakPolarHBondContact O-CA 3.12Å; I510-R513 PolarHBondContact O-N 3.16Å; I510-Y523 HydrophobicContact CD1-CD1 3.69Å; I510-Y523 HydrophobicContact CD1-CE1 3.74Å; I510-R542 HydrophobicContact CG2-CB 4.04Å; I510-L546 HydrophobicContact CB-CD1 4.48Å; I510-L546 HydrophobicContact CG2-CD1 3.69Å; I510-L546 WeakPolarHBondContact O-CD1 3.22Å |
| 511 | D | 79.8 | Confident | 78.1 | Confident | 124 Ų | 124 | 44 Ų | 44 | 66% | 0.663 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -58.5 | -35.1 | 178.7 | -81.2 | -15.3 | 0 | 0 | 0 | 113.1 | D507 R508 R513 | D507-D511 PolarHBondContact O-N 2.8Å; R508-D511 PolarHBondContact O-N 2.93Å; D511-R513 PolarHBondContact O-N 3.22Å |
| 512 | L | 75.4 | Confident | 78.3 | Confident | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.194 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -11.1 | 177.2 | -70.5 | 174.9 | 0 | 0 | 0 | 113.7 | Y480 W486 R508 I510 I514 | Y480-L512 HydrophobicContact CD2-CD1 4.15Å; Y480-L512 HydrophobicContact CD2-CD2 3.81Å; Y480-L512 HydrophobicContact CE2-CD2 3.56Å; W486-L512 HydrophobicContact CZ2-CD1 3.57Å; R508-L512 WeakPolarHBondContact O-CB 3.48Å; R508-L512 WeakPolarHBondContact O-CG 3.48Å; R508-L512 PolarHBondContact O-N 3.42Å; I510-L512 PolarHBondContact O-N 3.19Å; L512-I514 HydrophobicContact CB-CD1 3.8Å; L512-I514 HydrophobicContact CB-CG1 3.75Å; L512-I514 WeakPolarHBondContact O-CG1 3.34Å |
| 513 | R | 70.9 | Confident | 78.4 | Confident | 204 Ų | 204 | 45.1 Ų | 45.1 | 77% | 0.77 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 36.9 | -178.7 | -47.7 | -167.2 | 171.8 | -178.4 | -5.2 | 115 | I509 I510 D511 L546 | I509-R513 PolarHBondContact O-N 3.4Å; I510-R513 WeakPolarHBondContact O-CA 3.12Å; I510-R513 PolarHBondContact O-N 3.16Å; D511-R513 PolarHBondContact O-N 3.22Å; R513-L546 HydrophobicContact CB-CD2 4.24Å; R513-L546 HydrophobicContact CG-CD2 3.65Å |
| 514 | I | 66.1 | Low | 78.4 | Confident | 37 Ų | 37 | 43 Ų | 43 | 19% | 0.19 | 21% | 0.209 | C | C | . | . | trans | -118.7 | -4.8 | -173.2 | -35 | -172.4 | 0 | 0 | 0 | 111.8 | K481 L483 I509 L512 | K481-I514 HydrophobicContact CB-CD1 3.61Å; K481-I514 HydrophobicContact CG-CD1 3.82Å; K481-I514 WeakPolarHBondContact O-CD1 3.48Å; K481-I514 WeakPolarHBondContact O-CG2 3.23Å; L483-I514 HydrophobicContact CB-CG2 4.17Å; L483-I514 HydrophobicContact CD1-CG2 4.35Å; L483-I514 VanDerWaalsContact CD1-O 3.23Å; L483-I514 WeakPolarHBondContact CD1-O 3.24Å; I509-I514 PolarHBondContact O-N 3.15Å; L512-I514 HydrophobicContact CB-CD1 3.8Å; L512-I514 HydrophobicContact CB-CG1 3.75Å; L512-I514 WeakPolarHBondContact O-CG1 3.34Å | ||
| 515 | A | 68.6 | Low | 78.3 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | trans | -50.7 | 146.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I509 V520 F547 | I509-A515 HydrophobicContact CG2-CB 4.03Å; A515-V520 HydrophobicContact CB-CG2 3.91Å; A515-F547 HydrophobicContact CB-CZ 4.09Å; A515-F547 WeakPolarHBondContact O-CE1 3.48Å; A515-F547 WeakPolarHBondContact O-CZ 3.41Å | ||
| 516 | T | 76.3 | Confident | 78.3 | Confident | 52 Ų | 52 | 45.3 Ų | 45.3 | 32% | 0.319 | 21% | 0.214 | S | C | . | . | trans | -91.5 | 160.5 | 155.7 | 48.8 | 0 | 0 | 0 | 0 | 109.4 | L483 Q518 I519 V520 F547 | L483-T516 HydrophobicContact CD2-CG2 3.53Å; T516-Q518 PolarHBondContact O-N 3.12Å; T516-I519 PolarHBondContact O-N 3.38Å; T516-I519 WeakPolarHBondContact OG1-CD1 3.45Å; T516-I519 WeakPolarHBondContact OG1-CG1 3.32Å; T516-I519 PolarHBondContact OG1-N 3.44Å; T516-V520 PolarHBondContact O-N 3.19Å; T516-F547 VanDerWaalsContact C-CZ 3.47Å | ||
| 517 | P | 76.2 | Confident | 78.3 | Confident | 23 Ų | 23 | 45 Ų | 45 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -50.3 | -41.7 | 171.1 | -28.6 | 35.6 | 0 | 0 | 0 | 112.5 | I519 V520 I521 F547 N551 I555 | P517-I519 PolarHBondContact O-N 2.98Å; P517-V520 PolarHBondContact O-N 2.89Å; P517-I521 WeakPolarHBondContact O-CG1 3.25Å; P517-I521 PolarHBondContact O-N 3.02Å; P517-F547 HydrophobicContact CG-CE1 4.37Å; P517-F547 HydrophobicContact CG-CE2 4.41Å; P517-F547 HydrophobicContact CG-CZ 4.28Å; P517-N551 HydrophobicContact CG-CB 3.93Å; P517-I555 HydrophobicContact CB-CD1 3.89Å; P517-I555 HydrophobicContact CB-CG1 3.85Å; P517-I555 HydrophobicContact CG-CD1 4.33Å |
| 518 | Q | 79.1 | Confident | 78.1 | Confident | 110 Ų | 110 | 45.9 Ų | 45.9 | 51% | 0.514 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 177.3 | -169 | 63 | 47.6 | 0 | 0 | 113 | T516 V520 I521 N522 | T516-Q518 PolarHBondContact O-N 3.12Å; Q518-V520 VanDerWaalsContact C-N 3.33Å; Q518-V520 PolarHBondContact O-N 3.46Å; Q518-I521 PolarHBondContact O-N 2.58Å; Q518-N522 PolarHBondContact NE2-OD1 3.02Å; Q518-N522 WeakPolarHBondContact O-CB 3.39Å; Q518-N522 VanDerWaalsContact O-CG 3.31Å; Q518-N522 PolarHBondContact O-N 3.03Å; Q518-N522 PolarHBondContact O-OD1 3.46Å; Q518-N522 VanDerWaalsContact O-OD1 3.09Å |
| 519 | I | 80.8 | Confident | 78.2 | Confident | 21 Ų | 21 | 46.8 Ų | 46.8 | 11% | 0.108 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.1 | -34.8 | 179.3 | -72.7 | 165.8 | 0 | 0 | 0 | 111.4 | L483 Y506 I509 T516 P517 Y523 | L483-I519 HydrophobicContact CD1-CD1 3.54Å; L483-I519 HydrophobicContact CD2-CD1 4.19Å; L483-I519 HydrophobicContact CG-CD1 4.09Å; Y506-I519 HydrophobicContact CD1-CG2 4.07Å; Y506-I519 HydrophobicContact CE1-CG2 4.02Å; I509-I519 HydrophobicContact CG2-CG2 4.13Å; T516-I519 PolarHBondContact O-N 3.38Å; T516-I519 WeakPolarHBondContact OG1-CD1 3.45Å; T516-I519 WeakPolarHBondContact OG1-CG1 3.32Å; T516-I519 PolarHBondContact OG1-N 3.44Å; P517-I519 PolarHBondContact O-N 2.98Å; I519-Y523 WeakPolarHBondContact O-CB 3.3Å; I519-Y523 PolarHBondContact O-N 2.9Å |
| 520 | V | 81.9 | Confident | 78.1 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -41.9 | 172.8 | 177.6 | 0 | 0 | 0 | 0 | 111 | A515 T516 P517 Q518 Y523 A524 F547 | A515-V520 HydrophobicContact CB-CG2 3.91Å; T516-V520 PolarHBondContact O-N 3.19Å; P517-V520 PolarHBondContact O-N 2.89Å; Q518-V520 VanDerWaalsContact C-N 3.33Å; Q518-V520 PolarHBondContact O-N 3.46Å; V520-Y523 PolarHBondContact O-N 3.07Å; V520-A524 VanDerWaalsContact O-CB 3.26Å; V520-A524 WeakPolarHBondContact O-CB 3.43Å; V520-A524 PolarHBondContact O-N 3.14Å; V520-F547 HydrophobicContact CG2-CE2 3.92Å; V520-F547 HydrophobicContact CG2-CZ 4.48Å |
| 521 | I | 82.5 | Confident | 78 | Confident | 18 Ų | 18 | 56 Ų | 56 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 176.3 | -65.7 | 163.7 | 0 | 0 | 0 | 110.2 | P517 Q518 Y523 A524 M525 Y540 T558 | P517-I521 WeakPolarHBondContact O-CG1 3.25Å; P517-I521 PolarHBondContact O-N 3.02Å; Q518-I521 PolarHBondContact O-N 2.58Å; I521-Y523 PolarHBondContact O-N 2.87Å; I521-A524 PolarHBondContact O-N 3.42Å; I521-M525 HydrophobicContact CG2-CE 4.12Å; I521-M525 HydrophobicContact CG2-CG 4.35Å; I521-M525 HydrophobicContact CG2-SD 4.18Å; I521-M525 VanDerWaalsContact O-CG 3.32Å; I521-M525 WeakPolarHBondContact O-CG 3.27Å; I521-M525 PolarHBondContact O-N 3.02Å; I521-Y540 HydrophobicContact CG1-CE1 4.47Å; I521-T558 HydrophobicContact CD1-CG2 4.26Å |
| 522 | N | 82.3 | Confident | 77.9 | Confident | 47 Ų | 47 | 55.8 Ų | 55.8 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.6 | -48.6 | 176.3 | -70.8 | 17.2 | 0 | 0 | 0 | 111.8 | Q518 A524 M525 F526 | Q518-N522 PolarHBondContact NE2-OD1 3.02Å; Q518-N522 WeakPolarHBondContact O-CB 3.39Å; Q518-N522 VanDerWaalsContact O-CG 3.31Å; Q518-N522 PolarHBondContact O-N 3.03Å; Q518-N522 PolarHBondContact O-OD1 3.46Å; Q518-N522 VanDerWaalsContact O-OD1 3.09Å; N522-A524 VanDerWaalsContact C-N 3.31Å; N522-A524 PolarHBondContact O-N 3.33Å; N522-M525 PolarHBondContact O-N 3.19Å; N522-F526 WeakPolarHBondContact O-CB 3.45Å; N522-F526 PolarHBondContact O-N 2.85Å |
| 523 | Y | 80.5 | Confident | 77.8 | Confident | 6 Ų | 6 | 55.7 Ų | 55.7 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 175.9 | 176.2 | -140.2 | 0 | 0 | 0 | 112.5 | K503 Y506 D507 I510 I519 V520 I521 F526 L527 A539 | K503-Y523 HydrophobicContact CG-CE2 4.39Å; Y506-Y523 VanDerWaalsContact CB-CG 3.48Å; Y506-Y523 HydrophobicContact CD1-CD2 4.33Å; Y506-Y523 HydrophobicContact CD1-CG 4.15Å; Y506-Y523 AromaticContact CD2-CD2 3.35Å; Y506-Y523 HydrophobicContact CD2-CD2 3.35Å; Y506-Y523 HydrophobicContact CD2-CE2 4.02Å; Y506-Y523 AromaticContact CD2-CG 3.99Å; Y506-Y523 HydrophobicContact CD2-CG 3.99Å; Y506-Y523 HydrophobicContact CE2-CD2 4.2Å; Y506-Y523 HydrophobicContact CG-CD1 4.46Å; Y506-Y523 AromaticContact CG-CD2 3.43Å; Y506-Y523 HydrophobicContact CG-CD2 3.43Å; Y506-Y523 VanDerWaalsContact CG-CD2 3.43Å; Y506-Y523 HydrophobicContact CG-CE2 4.09Å; Y506-Y523 AromaticContact CG-CG 3.64Å; Y506-Y523 HydrophobicContact CG-CG 3.64Å; D507-Y523 PolarHBondContact OD1-OH 3.2Å; I510-Y523 HydrophobicContact CD1-CD1 3.69Å; I510-Y523 HydrophobicContact CD1-CE1 3.74Å; I519-Y523 WeakPolarHBondContact O-CB 3.3Å; I519-Y523 PolarHBondContact O-N 2.9Å; V520-Y523 PolarHBondContact O-N 3.07Å; I521-Y523 PolarHBondContact O-N 2.87Å; Y523-F526 PolarHBondContact O-N 3.05Å; Y523-L527 HydrophobicContact CD1-CD1 4.44Å; Y523-L527 HydrophobicContact CD2-CD1 4.02Å; Y523-L527 HydrophobicContact CD2-CG 4.05Å; Y523-L527 HydrophobicContact CE1-CD1 4.06Å; Y523-L527 HydrophobicContact CE2-CD1 3.57Å; Y523-L527 HydrophobicContact CE2-CD2 4.12Å; Y523-L527 HydrophobicContact CE2-CG 3.77Å; Y523-L527 HydrophobicContact CG-CD1 4.45Å; Y523-L527 WeakPolarHBondContact O-CG 3.22Å; Y523-L527 PolarHBondContact O-N 2.81Å; Y523-A539 HydrophobicContact CD1-CB 3.6Å; Y523-A539 HydrophobicContact CE1-CB 3.63Å |
| 524 | A | 80 | Confident | 78.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.6 | -32.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V520 I521 N522 E528 S536 Y540 | V520-A524 VanDerWaalsContact O-CB 3.26Å; V520-A524 WeakPolarHBondContact O-CB 3.43Å; V520-A524 PolarHBondContact O-N 3.14Å; I521-A524 PolarHBondContact O-N 3.42Å; N522-A524 VanDerWaalsContact C-N 3.31Å; N522-A524 PolarHBondContact O-N 3.33Å; A524-E528 WeakPolarHBondContact O-CB 3.46Å; A524-E528 PolarHBondContact O-N 3.29Å; A524-E528 VanDerWaalsContact O-N 3.09Å; A524-S536 WeakPolarHBondContact O-CB 3.11Å; A524-S536 PolarHBondContact O-OG 2.84Å; A524-Y540 HydrophobicContact CB-CD1 4.24Å; A524-Y540 HydrophobicContact CB-CD2 3.95Å; A524-Y540 HydrophobicContact CB-CE1 3.75Å; A524-Y540 HydrophobicContact CB-CE2 3.43Å; A524-Y540 VanDerWaalsContact CB-CE2 3.43Å; A524-Y540 HydrophobicContact CB-CG 4.33Å |
| 525 | M | 81.4 | Confident | 78.6 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.5 | -45.8 | 170.4 | -69.6 | -172.1 | -53.9 | 0 | 0 | 111.5 | I521 N522 L527 E528 E529 | I521-M525 HydrophobicContact CG2-CE 4.12Å; I521-M525 HydrophobicContact CG2-CG 4.35Å; I521-M525 HydrophobicContact CG2-SD 4.18Å; I521-M525 VanDerWaalsContact O-CG 3.32Å; I521-M525 WeakPolarHBondContact O-CG 3.27Å; I521-M525 PolarHBondContact O-N 3.02Å; N522-M525 PolarHBondContact O-N 3.19Å; M525-L527 VanDerWaalsContact C-N 3.31Å; M525-L527 PolarHBondContact O-N 3.22Å; M525-E528 CarbonylContact O-C 3.55Å; M525-E528 WeakPolarHBondContact O-CA 3.45Å; M525-E528 VanDerWaalsContact O-CB 3.22Å; M525-E528 WeakPolarHBondContact O-CB 3.43Å; M525-E528 PolarHBondContact O-N 3.26Å; M525-E529 PolarHBondContact O-N 3.39Å |
| 526 | F | 80.8 | Confident | 79.2 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 6% | 0.057 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.9 | -43.9 | 174.3 | 175.4 | -97.6 | 0 | 0 | 0 | 112.1 | E494 F499 T502 N522 Y523 E528 E529 H530 | E494-F526 HydrophobicContact CG-CD2 4.05Å; E494-F526 HydrophobicContact CG-CE2 4.22Å; F499-F526 AromaticContact CD2-CE1 3.7Å; F499-F526 HydrophobicContact CD2-CE1 3.7Å; F499-F526 AromaticContact CD2-CZ 3.91Å; F499-F526 HydrophobicContact CD2-CZ 3.91Å; F499-F526 AromaticContact CE2-CE1 3.89Å; F499-F526 HydrophobicContact CE2-CE1 3.89Å; F499-F526 HydrophobicContact CE2-CZ 4.5Å; T502-F526 HydrophobicContact CG2-CE1 3.93Å; T502-F526 HydrophobicContact CG2-CE2 4.07Å; T502-F526 HydrophobicContact CG2-CZ 3.68Å; N522-F526 WeakPolarHBondContact O-CB 3.45Å; N522-F526 PolarHBondContact O-N 2.85Å; Y523-F526 PolarHBondContact O-N 3.05Å; F526-E528 VanDerWaalsContact C-N 3.29Å; F526-E528 PolarHBondContact O-N 3.16Å; F526-E529 PolarHBondContact O-N 2.79Å; F526-H530 AromaticContact CD2-CD2 3.93Å; F526-H530 AromaticContact CE1-CD2 3.77Å; F526-H530 AromaticContact CE2-CD2 3.56Å; F526-H530 AromaticContact CE2-NE2 3.3Å; F526-H530 VanDerWaalsContact CE2-NE2 3.3Å; F526-H530 WeakPolarHBondContact CE2-NE2 3.5Å; F526-H530 AromaticContact CZ-CD2 3.48Å; F526-H530 VanDerWaalsContact CZ-CD2 3.48Å; F526-H530 WeakPolarHBondContact CZ-CD2 3.31Å; F526-H530 AromaticContact CZ-NE2 3.39Å; F526-H530 WeakPolarHBondContact CZ-NE2 3.3Å; F526-H530 PolarHBondContact O-CD2 3.17Å; F526-H530 VanDerWaalsContact O-CD2 3.28Å; F526-H530 PolarHBondContact O-N 2.82Å; F526-H530 VanDerWaalsContact O-N 3.16Å |
| 527 | L | 80.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.2 | -27.2 | 173.3 | -70.4 | 175.5 | 0 | 0 | 0 | 113.2 | F499 Y523 M525 N531 Y532 E535 A539 | F499-L527 HydrophobicContact CE2-CD2 4Å; F499-L527 HydrophobicContact CZ-CD2 3.88Å; Y523-L527 HydrophobicContact CD1-CD1 4.44Å; Y523-L527 HydrophobicContact CD2-CD1 4.02Å; Y523-L527 HydrophobicContact CD2-CG 4.05Å; Y523-L527 HydrophobicContact CE1-CD1 4.06Å; Y523-L527 HydrophobicContact CE2-CD1 3.57Å; Y523-L527 HydrophobicContact CE2-CD2 4.12Å; Y523-L527 HydrophobicContact CE2-CG 3.77Å; Y523-L527 HydrophobicContact CG-CD1 4.45Å; Y523-L527 WeakPolarHBondContact O-CG 3.22Å; Y523-L527 PolarHBondContact O-N 2.81Å; M525-L527 VanDerWaalsContact C-N 3.31Å; M525-L527 PolarHBondContact O-N 3.22Å; L527-N531 PolarHBondContact O-N 2.89Å; L527-Y532 WeakPolarHBondContact O-CA 3.49Å; L527-Y532 PolarHBondContact O-N 3.4Å; L527-E535 HydrophobicContact CD1-CB 4.08Å; L527-A539 HydrophobicContact CD1-CB 4.28Å |
| 528 | E | 77.2 | Confident | 79.7 | Confident | 52 Ų | 52 | 54 Ų | 54 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.4 | -46 | 175.3 | -163 | -176 | 164.4 | 0 | 0 | 111.4 | A524 M525 F526 H530 N531 F533 K562 | A524-E528 WeakPolarHBondContact O-CB 3.46Å; A524-E528 PolarHBondContact O-N 3.29Å; A524-E528 VanDerWaalsContact O-N 3.09Å; M525-E528 CarbonylContact O-C 3.55Å; M525-E528 WeakPolarHBondContact O-CA 3.45Å; M525-E528 VanDerWaalsContact O-CB 3.22Å; M525-E528 WeakPolarHBondContact O-CB 3.43Å; M525-E528 PolarHBondContact O-N 3.26Å; F526-E528 VanDerWaalsContact C-N 3.29Å; F526-E528 PolarHBondContact O-N 3.16Å; E528-H530 VanDerWaalsContact C-N 3.3Å; E528-H530 PolarHBondContact O-N 3.41Å; E528-N531 WeakPolarHBondContact O-CA 3.37Å; E528-N531 PolarHBondContact O-N 3.23Å; E528-F533 HydrophobicContact CG-CD1 3.87Å; E528-F533 HydrophobicContact CG-CE1 3.53Å; E528-K562 IonicContact OE1-NZ 3.58Å; E528-K562 PolarHBondContact OE1-NZ 2.73Å; E528-K562 WeakPolarHBondContact OE2-CE 3.34Å; E528-K562 IonicContact OE2-NZ 3.63Å; E528-K562 PolarHBondContact OE2-NZ 2.95Å |
| 529 | E | 81.6 | Confident | 79.8 | Confident | 147 Ų | 147 | 48.9 Ų | 48.9 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.3 | -41 | 175.6 | -68.8 | -177.1 | 176.2 | 0 | 0 | 111.7 | M525 F526 N531 | M525-E529 PolarHBondContact O-N 3.39Å; F526-E529 PolarHBondContact O-N 2.79Å; E529-N531 PolarHBondContact O-N 2.8Å; E529-N531 PolarHBondContact O-ND2 3.4Å |
| 530 | H | 78.9 | Confident | 79.8 | Confident | 88 Ų | 88 | 48 Ų | 48 | 41% | 0.407 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 6.6 | 173.2 | -72 | -62 | 0 | 0 | 0 | 114.6 | F499 F526 E528 Y532 | F499-H530 HydrophobicContact CD2-CB 4.01Å; F499-H530 AromaticContact CD2-CD2 3.47Å; F499-H530 VanDerWaalsContact CD2-CD2 3.47Å; F499-H530 WeakPolarHBondContact CD2-CD2 3.47Å; F499-H530 AromaticContact CD2-CG 3.65Å; F499-H530 AromaticContact CD2-NE2 3.92Å; F499-H530 HydrophobicContact CE2-CB 3.56Å; F499-H530 AromaticContact CE2-CD2 3.7Å; F499-H530 AromaticContact CE2-CG 3.71Å; F499-H530 HydrophobicContact CZ-CB 4.38Å; F526-H530 AromaticContact CD2-CD2 3.93Å; F526-H530 AromaticContact CE1-CD2 3.77Å; F526-H530 AromaticContact CE2-CD2 3.56Å; F526-H530 AromaticContact CE2-NE2 3.3Å; F526-H530 VanDerWaalsContact CE2-NE2 3.3Å; F526-H530 WeakPolarHBondContact CE2-NE2 3.5Å; F526-H530 AromaticContact CZ-CD2 3.48Å; F526-H530 VanDerWaalsContact CZ-CD2 3.48Å; F526-H530 WeakPolarHBondContact CZ-CD2 3.31Å; F526-H530 AromaticContact CZ-NE2 3.39Å; F526-H530 WeakPolarHBondContact CZ-NE2 3.3Å; F526-H530 PolarHBondContact O-CD2 3.17Å; F526-H530 VanDerWaalsContact O-CD2 3.28Å; F526-H530 PolarHBondContact O-N 2.82Å; F526-H530 VanDerWaalsContact O-N 3.16Å; E528-H530 VanDerWaalsContact C-N 3.3Å; E528-H530 PolarHBondContact O-N 3.41Å; H530-Y532 VanDerWaalsContact C-N 3.31Å; H530-Y532 HydrophobicContact CB-CD2 3.99Å; H530-Y532 HydrophobicContact CB-CE2 4.45Å; H530-Y532 WeakPolarHBondContact O-CD2 3.33Å; H530-Y532 WeakPolarHBondContact O-CE2 3.29Å; H530-Y532 PolarHBondContact O-N 3.05Å |
| 531 | N | 76.6 | Confident | 79.8 | Confident | 113 Ų | 113 | 51.6 Ų | 51.6 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 19 | 177.2 | -68.2 | -91.3 | 0 | 0 | 0 | 116.4 | L527 E528 E529 F533 | L527-N531 PolarHBondContact O-N 2.89Å; E528-N531 WeakPolarHBondContact O-CA 3.37Å; E528-N531 PolarHBondContact O-N 3.23Å; E529-N531 PolarHBondContact O-N 2.8Å; E529-N531 PolarHBondContact O-ND2 3.4Å; N531-F533 VanDerWaalsContact C-CD2 3.5Å; N531-F533 VanDerWaalsContact C-N 3.34Å; N531-F533 VanDerWaalsContact CA-CE2 3.42Å; N531-F533 HydrophobicContact CB-CD2 4.46Å; N531-F533 HydrophobicContact CB-CE2 3.68Å; N531-F533 HydrophobicContact CB-CZ 4.23Å; N531-F533 WeakPolarHBondContact O-CD2 3.43Å; N531-F533 WeakPolarHBondContact O-CE2 3.48Å; N531-F533 PolarHBondContact O-N 3.45Å; N531-F533 WeakPolarHBondContact OD1-CE2 3.33Å; N531-F533 WeakPolarHBondContact OD1-CZ 3.42Å |
| 532 | Y | 79.3 | Confident | 79.7 | Confident | 119 Ų | 119 | 56.3 Ų | 56.3 | 47% | 0.467 | 26% | 0.258 | S | S | . | . | trans | -92.2 | 57.4 | 176.8 | -72.8 | -83.4 | 0 | 0 | 0 | 112.5 | F499 L527 H530 E534 E535 S536 | F499-Y532 AromaticContact CE1-CD2 3.96Å; F499-Y532 HydrophobicContact CE1-CD2 3.96Å; F499-Y532 AromaticContact CE1-CE2 3.71Å; F499-Y532 HydrophobicContact CE1-CE2 3.71Å; F499-Y532 AromaticContact CE2-CD2 3.97Å; F499-Y532 HydrophobicContact CE2-CD2 3.97Å; F499-Y532 HydrophobicContact CE2-CE2 4.26Å; F499-Y532 AromaticContact CZ-CD2 3.33Å; F499-Y532 HydrophobicContact CZ-CD2 3.33Å; F499-Y532 AromaticContact CZ-CE2 3.55Å; F499-Y532 HydrophobicContact CZ-CE2 3.55Å; F499-Y532 HydrophobicContact CZ-CG 4.01Å; L527-Y532 WeakPolarHBondContact O-CA 3.49Å; L527-Y532 PolarHBondContact O-N 3.4Å; H530-Y532 VanDerWaalsContact C-N 3.31Å; H530-Y532 HydrophobicContact CB-CD2 3.99Å; H530-Y532 HydrophobicContact CB-CE2 4.45Å; H530-Y532 WeakPolarHBondContact O-CD2 3.33Å; H530-Y532 WeakPolarHBondContact O-CE2 3.29Å; H530-Y532 PolarHBondContact O-N 3.05Å; Y532-E534 PolarHBondContact O-N 2.91Å; Y532-E535 WeakPolarHBondContact O-CA 3.45Å; Y532-E535 WeakPolarHBondContact O-CB 3.46Å; Y532-E535 PolarHBondContact O-N 3.32Å; Y532-S536 PolarHBondContact O-N 3.29Å | ||
| 533 | F | 72.4 | Confident | 79.5 | Confident | 35 Ų | 35 | 54 Ų | 54 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60 | -36.8 | -171.2 | -53.9 | -87.5 | 0 | 0 | 0 | 114.8 | E528 N531 E535 S536 F537 | E528-F533 HydrophobicContact CG-CD1 3.87Å; E528-F533 HydrophobicContact CG-CE1 3.53Å; N531-F533 VanDerWaalsContact C-CD2 3.5Å; N531-F533 VanDerWaalsContact C-N 3.34Å; N531-F533 VanDerWaalsContact CA-CE2 3.42Å; N531-F533 HydrophobicContact CB-CD2 4.46Å; N531-F533 HydrophobicContact CB-CE2 3.68Å; N531-F533 HydrophobicContact CB-CZ 4.23Å; N531-F533 WeakPolarHBondContact O-CD2 3.43Å; N531-F533 WeakPolarHBondContact O-CE2 3.48Å; N531-F533 PolarHBondContact O-N 3.45Å; N531-F533 WeakPolarHBondContact OD1-CE2 3.33Å; N531-F533 WeakPolarHBondContact OD1-CZ 3.42Å; F533-E535 PolarHBondContact O-N 3.19Å; F533-S536 WeakPolarHBondContact O-CB 3.17Å; F533-S536 PolarHBondContact O-N 3.11Å; F533-F537 HydrophobicContact CB-CE2 4.16Å; F533-F537 WeakPolarHBondContact O-CD2 3.43Å; F533-F537 VanDerWaalsContact O-CG 3.24Å; F533-F537 WeakPolarHBondContact O-CG 3.4Å; F533-F537 PolarHBondContact O-N 3.43Å |
| 534 | E | 77 | Confident | 79.3 | Confident | 117 Ų | 117 | 55.3 Ų | 55.3 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.4 | -23.4 | 175.6 | -65.9 | -161.6 | 162 | 0 | 0 | 113.1 | Y532 K538 | Y532-E534 PolarHBondContact O-N 2.91Å; E534-K538 WeakPolarHBondContact O-CD 3.3Å; E534-K538 VanDerWaalsContact O-CG 3.3Å; E534-K538 WeakPolarHBondContact O-CG 3.05Å; E534-K538 PolarHBondContact O-N 2.76Å |
| 535 | E | 77.9 | Confident | 79.3 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -83.6 | -37.1 | 173.8 | -53.8 | -158.7 | 121.7 | 0 | 0 | 111 | K503 L527 Y532 F533 F537 K538 A539 | K503-E535 IonicContact NZ-OE1 2.69Å; K503-E535 PolarHBondContact NZ-OE1 2.82Å; K503-E535 IonicContact NZ-OE2 2.63Å; K503-E535 PolarHBondContact NZ-OE2 3.19Å; L527-E535 HydrophobicContact CD1-CB 4.08Å; Y532-E535 WeakPolarHBondContact O-CA 3.45Å; Y532-E535 WeakPolarHBondContact O-CB 3.46Å; Y532-E535 PolarHBondContact O-N 3.32Å; F533-E535 PolarHBondContact O-N 3.19Å; E535-F537 VanDerWaalsContact C-N 3.33Å; E535-F537 PolarHBondContact O-N 2.97Å; E535-K538 CarbonylContact O-C 3.48Å; E535-K538 WeakPolarHBondContact O-CB 3.47Å; E535-K538 PolarHBondContact O-N 3.25Å; E535-K538 VanDerWaalsContact O-N 3.16Å; E535-A539 PolarHBondContact O-N 2.83Å |
| 536 | S | 79.8 | Confident | 79 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.5 | -45.7 | 169.4 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | A524 Y532 F533 K538 A539 Y540 | A524-S536 WeakPolarHBondContact O-CB 3.11Å; A524-S536 PolarHBondContact O-OG 2.84Å; Y532-S536 PolarHBondContact O-N 3.29Å; F533-S536 WeakPolarHBondContact O-CB 3.17Å; F533-S536 PolarHBondContact O-N 3.11Å; S536-K538 PolarHBondContact O-N 3.49Å; S536-A539 WeakPolarHBondContact O-CB 3.24Å; S536-A539 PolarHBondContact O-N 3.26Å; S536-A539 VanDerWaalsContact O-N 3.11Å; S536-Y540 WeakPolarHBondContact O-CD2 3.22Å; S536-Y540 PolarHBondContact O-N 3.03Å |
| 537 | F | 80.4 | Confident | 78.5 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -37.4 | 174.5 | -59.2 | -40.2 | 0 | 0 | 0 | 113.3 | F533 E535 A539 Y540 E541 Y559 F563 Y567 | F533-F537 HydrophobicContact CB-CE2 4.16Å; F533-F537 WeakPolarHBondContact O-CD2 3.43Å; F533-F537 VanDerWaalsContact O-CG 3.24Å; F533-F537 WeakPolarHBondContact O-CG 3.4Å; F533-F537 PolarHBondContact O-N 3.43Å; E535-F537 VanDerWaalsContact C-N 3.33Å; E535-F537 PolarHBondContact O-N 2.97Å; F537-A539 VanDerWaalsContact C-N 3.31Å; F537-A539 PolarHBondContact O-N 2.86Å; F537-Y540 HydrophobicContact CD1-CD2 4.38Å; F537-Y540 PolarHBondContact O-N 3.29Å; F537-E541 WeakPolarHBondContact O-CB 3.5Å; F537-E541 VanDerWaalsContact O-CG 3.28Å; F537-E541 WeakPolarHBondContact O-CG 3.39Å; F537-E541 PolarHBondContact O-N 2.78Å; F537-Y559 HydrophobicContact CB-CE2 3.93Å; F537-Y559 AromaticContact CD1-CD2 3.82Å; F537-Y559 HydrophobicContact CD1-CD2 3.82Å; F537-Y559 AromaticContact CD1-CE2 3.45Å; F537-Y559 HydrophobicContact CD1-CE2 3.45Å; F537-Y559 VanDerWaalsContact CD1-CE2 3.45Å; F537-Y559 HydrophobicContact CE1-CD2 4.41Å; F537-Y559 HydrophobicContact CE1-CE2 4.28Å; F537-Y559 AromaticContact CG-CE2 3.98Å; F537-Y559 HydrophobicContact CG-CE2 3.98Å; F537-F563 HydrophobicContact CE1-CD2 4.28Å; F537-F563 HydrophobicContact CZ-CD2 4.27Å; F537-Y567 HydrophobicContact CD2-CE2 4.48Å; F537-Y567 AromaticContact CE2-CE2 3.6Å; F537-Y567 HydrophobicContact CE2-CE2 3.6Å; F537-Y567 HydrophobicContact CZ-CE2 4.06Å |
| 538 | K | 82.7 | Confident | 78.2 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 45% | 0.452 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -32.5 | 171.4 | -74.3 | 164.9 | -174.9 | 163 | 0 | 112.5 | E534 E535 S536 R542 | E534-K538 WeakPolarHBondContact O-CD 3.3Å; E534-K538 VanDerWaalsContact O-CG 3.3Å; E534-K538 WeakPolarHBondContact O-CG 3.05Å; E534-K538 PolarHBondContact O-N 2.76Å; E535-K538 CarbonylContact O-C 3.48Å; E535-K538 WeakPolarHBondContact O-CB 3.47Å; E535-K538 PolarHBondContact O-N 3.25Å; E535-K538 VanDerWaalsContact O-N 3.16Å; S536-K538 PolarHBondContact O-N 3.49Å; K538-R542 WeakPolarHBondContact O-CB 3.36Å; K538-R542 VanDerWaalsContact O-CG 3.24Å; K538-R542 WeakPolarHBondContact O-CG 3.48Å; K538-R542 PolarHBondContact O-N 3.32Å |
| 539 | A | 80.9 | Confident | 77.3 | Confident | 2 Ų | 2 | 69.3 Ų | 69.3 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y523 L527 E535 S536 F537 R542 G543 | Y523-A539 HydrophobicContact CD1-CB 3.6Å; Y523-A539 HydrophobicContact CE1-CB 3.63Å; L527-A539 HydrophobicContact CD1-CB 4.28Å; E535-A539 PolarHBondContact O-N 2.83Å; S536-A539 WeakPolarHBondContact O-CB 3.24Å; S536-A539 PolarHBondContact O-N 3.26Å; S536-A539 VanDerWaalsContact O-N 3.11Å; F537-A539 VanDerWaalsContact C-N 3.31Å; F537-A539 PolarHBondContact O-N 2.86Å; A539-R542 PolarHBondContact O-N 2.84Å; A539-G543 PolarHBondContact O-N 3.25Å |
| 540 | Y | 80.9 | Confident | 76.7 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -50.2 | 171.3 | -72 | -62.7 | 0 | 0 | 0 | 112.1 | I521 A524 S536 F537 R542 G543 I544 I555 Y559 | I521-Y540 HydrophobicContact CG1-CE1 4.47Å; A524-Y540 HydrophobicContact CB-CD1 4.24Å; A524-Y540 HydrophobicContact CB-CD2 3.95Å; A524-Y540 HydrophobicContact CB-CE1 3.75Å; A524-Y540 HydrophobicContact CB-CE2 3.43Å; A524-Y540 VanDerWaalsContact CB-CE2 3.43Å; A524-Y540 HydrophobicContact CB-CG 4.33Å; S536-Y540 WeakPolarHBondContact O-CD2 3.22Å; S536-Y540 PolarHBondContact O-N 3.03Å; F537-Y540 HydrophobicContact CD1-CD2 4.38Å; F537-Y540 PolarHBondContact O-N 3.29Å; Y540-R542 VanDerWaalsContact C-N 3.32Å; Y540-R542 PolarHBondContact O-N 2.75Å; Y540-G543 PolarHBondContact O-N 3.14Å; Y540-G543 VanDerWaalsContact O-N 3.09Å; Y540-I544 WeakPolarHBondContact O-CD1 3.29Å; Y540-I544 VanDerWaalsContact O-CG1 3.3Å; Y540-I544 WeakPolarHBondContact O-CG1 3.48Å; Y540-I544 PolarHBondContact O-N 3.09Å; Y540-I555 HydrophobicContact CD1-CG2 3.8Å; Y540-Y559 HydrophobicContact CD1-CG 4.46Å; Y540-Y559 AromaticContact CD2-CD2 3.6Å; Y540-Y559 HydrophobicContact CD2-CD2 3.6Å; Y540-Y559 HydrophobicContact CD2-CE2 4.34Å; Y540-Y559 HydrophobicContact CD2-CG 4.13Å; Y540-Y559 HydrophobicContact CE2-CD2 4.41Å; Y540-Y559 AromaticContact CG-CD2 3.78Å; Y540-Y559 HydrophobicContact CG-CD2 3.78Å; Y540-Y559 AromaticContact CG-CG 3.87Å; Y540-Y559 HydrophobicContact CG-CG 3.87Å |
| 541 | E | 81.8 | Confident | 76.1 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 36% | 0.36 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 177.4 | -71.8 | 166.3 | -167.9 | 0 | 0 | 111.7 | F537 A545 Y559 R574 | F537-E541 WeakPolarHBondContact O-CB 3.5Å; F537-E541 VanDerWaalsContact O-CG 3.28Å; F537-E541 WeakPolarHBondContact O-CG 3.39Å; F537-E541 PolarHBondContact O-N 2.78Å; E541-A545 PolarHBondContact O-N 3.48Å; E541-A545 VanDerWaalsContact O-N 3.14Å; E541-Y559 HydrophobicContact CG-CE1 4.4Å; E541-Y559 WeakPolarHBondContact CG-OH 3.47Å; E541-Y559 PolarHBondContact OE1-OH 3.45Å; E541-Y559 VanDerWaalsContact OE1-OH 3.08Å; E541-R574 IonicContact OE1-NH2 2.93Å; E541-R574 PolarHBondContact OE1-NH2 2.87Å |
| 542 | R | 80.7 | Confident | 75.9 | Confident | 117 Ų | 117 | 60.6 Ų | 60.6 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 173.7 | -76.1 | 173.9 | 175.8 | -178.7 | -1.7 | 112.9 | D507 I510 K538 A539 Y540 A545 L546 | D507-R542 IonicContact OD1-NH1 2.78Å; D507-R542 PolarHBondContact OD1-NH1 3.09Å; I510-R542 HydrophobicContact CG2-CB 4.04Å; K538-R542 WeakPolarHBondContact O-CB 3.36Å; K538-R542 VanDerWaalsContact O-CG 3.24Å; K538-R542 WeakPolarHBondContact O-CG 3.48Å; K538-R542 PolarHBondContact O-N 3.32Å; A539-R542 PolarHBondContact O-N 2.84Å; Y540-R542 VanDerWaalsContact C-N 3.32Å; Y540-R542 PolarHBondContact O-N 2.75Å; R542-A545 PolarHBondContact O-N 3.4Å; R542-L546 WeakPolarHBondContact O-CG 3.26Å; R542-L546 PolarHBondContact O-N 2.89Å |
| 543 | G | 77.4 | Confident | 75.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A539 Y540 A545 L546 F547 | A539-G543 PolarHBondContact O-N 3.25Å; Y540-G543 PolarHBondContact O-N 3.14Å; Y540-G543 VanDerWaalsContact O-N 3.09Å; G543-A545 VanDerWaalsContact C-N 3.3Å; G543-A545 PolarHBondContact O-N 3.26Å; G543-L546 PolarHBondContact O-N 3.41Å; G543-F547 WeakPolarHBondContact O-CD2 3.47Å; G543-F547 PolarHBondContact O-N 2.92Å; G543-F547 VanDerWaalsContact O-N 3.16Å |
| 544 | I | 77 | Confident | 75.7 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 177.1 | -69.5 | 159.9 | 0 | 0 | 0 | 111.2 | Y540 L546 V552 I555 W556 Y559 | Y540-I544 WeakPolarHBondContact O-CD1 3.29Å; Y540-I544 VanDerWaalsContact O-CG1 3.3Å; Y540-I544 WeakPolarHBondContact O-CG1 3.48Å; Y540-I544 PolarHBondContact O-N 3.09Å; I544-L546 PolarHBondContact O-N 3.16Å; I544-V552 HydrophobicContact CB-CG1 4.22Å; I544-V552 HydrophobicContact CG1-CG1 3.95Å; I544-V552 HydrophobicContact CG2-CG1 4.08Å; I544-I555 HydrophobicContact CG1-CG2 4Å; I544-W556 HydrophobicContact CD1-CD2 3.83Å; I544-W556 HydrophobicContact CD1-CE3 3.78Å; I544-W556 HydrophobicContact CD1-CH2 3.89Å; I544-W556 HydrophobicContact CD1-CZ2 3.94Å; I544-W556 HydrophobicContact CD1-CZ3 3.79Å; I544-W556 HydrophobicContact CG1-CD2 4.32Å; I544-W556 HydrophobicContact CG1-CZ2 4.41Å; I544-W556 HydrophobicContact CG2-CH2 4.39Å; I544-W556 HydrophobicContact CG2-CZ2 3.6Å; I544-Y559 HydrophobicContact CD1-CD1 3.6Å; I544-Y559 HydrophobicContact CD1-CE1 3.94Å |
| 545 | A | 79.6 | Confident | 75.8 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.5 | -16.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E541 R542 G543 | E541-A545 PolarHBondContact O-N 3.48Å; E541-A545 VanDerWaalsContact O-N 3.14Å; R542-A545 PolarHBondContact O-N 3.4Å; G543-A545 VanDerWaalsContact C-N 3.3Å; G543-A545 PolarHBondContact O-N 3.26Å |
| 546 | L | 74.8 | Confident | 76 | Confident | 55 Ų | 55 | 51.4 Ų | 51.4 | 29% | 0.288 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -95.9 | -36.4 | -179 | -71.5 | 175.1 | 0 | 0 | 0 | 113.6 | I510 R513 R542 G543 I544 | I510-L546 HydrophobicContact CB-CD1 4.48Å; I510-L546 HydrophobicContact CG2-CD1 3.69Å; I510-L546 WeakPolarHBondContact O-CD1 3.22Å; R513-L546 HydrophobicContact CB-CD2 4.24Å; R513-L546 HydrophobicContact CG-CD2 3.65Å; R542-L546 WeakPolarHBondContact O-CG 3.26Å; R542-L546 PolarHBondContact O-N 2.89Å; G543-L546 PolarHBondContact O-N 3.41Å; I544-L546 PolarHBondContact O-N 3.16Å |
| 547 | F | 71.6 | Confident | 76 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 19% | 0.193 | 26% | 0.261 | C | S | . | . | trans | -90.5 | 153.7 | -176.7 | -62.9 | -66.6 | 0 | 0 | 0 | 112.9 | A515 T516 P517 V520 G543 V552 I555 | A515-F547 HydrophobicContact CB-CZ 4.09Å; A515-F547 WeakPolarHBondContact O-CE1 3.48Å; A515-F547 WeakPolarHBondContact O-CZ 3.41Å; T516-F547 VanDerWaalsContact C-CZ 3.47Å; P517-F547 HydrophobicContact CG-CE1 4.37Å; P517-F547 HydrophobicContact CG-CE2 4.41Å; P517-F547 HydrophobicContact CG-CZ 4.28Å; V520-F547 HydrophobicContact CG2-CE2 3.92Å; V520-F547 HydrophobicContact CG2-CZ 4.48Å; G543-F547 WeakPolarHBondContact O-CD2 3.47Å; G543-F547 PolarHBondContact O-N 2.92Å; G543-F547 VanDerWaalsContact O-N 3.16Å; F547-V552 HydrophobicContact CB-CG2 3.89Å; F547-I555 HydrophobicContact CD2-CD1 3.27Å; F547-I555 HydrophobicContact CE2-CD1 3.58Å; F547-I555 HydrophobicContact CG-CD1 4.26Å | ||
| 548 | K | 72.8 | Confident | 76 | Confident | 184 Ų | 184 | 54 Ų | 54 | 80% | 0.8 | 27% | 0.271 | S | S | * | . | trans | -108.9 | 151.6 | 168.6 | -60.4 | -173.9 | -179.1 | -177 | 0 | 109.4 | N551 | K548-N551 PolarHBondContact O-N 3.29Š| ||
| 549 | W | 59.9 | Low | 75.9 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 137.7 | 173 | -57.2 | 94.3 | 0 | 0 | 0 | 110.2 | V552 W556 A582 G585 C586 P587 | W549-V552 HydrophobicContact CD2-CB 4.37Å; W549-V552 HydrophobicContact CD2-CG2 4.31Å; W549-V552 HydrophobicContact CE3-CB 4.37Å; W549-V552 HydrophobicContact CG-CG2 4.33Å; W549-W556 AromaticContact CH2-CD1 3.4Å; W549-W556 VanDerWaalsContact CH2-CD1 3.4Å; W549-W556 HydrophobicContact CH2-CG 4.4Å; W549-W556 AromaticContact CH2-NE1 3.69Å; W549-W556 AromaticContact CZ2-CD1 3.85Å; W549-W556 AromaticContact CZ2-NE1 3.65Å; W549-A582 VanDerWaalsContact CH2-O 3.29Å; W549-A582 WeakPolarHBondContact CH2-O 3.49Å; W549-A582 VanDerWaalsContact CZ2-O 3.26Å; W549-A582 WeakPolarHBondContact CZ2-O 3.23Å; W549-G585 PolarHBondContact NE1-O 3.32Å; W549-C586 HydrophobicContact CH2-CB 3.84Å; W549-C586 HydrophobicContact CZ2-CB 4.07Å; W549-C586 HydrophobicContact CZ3-CB 4.27Å; W549-C586 VanDerWaalsContact CZ3-SG 3.54Å; W549-P587 HydrophobicContact CB-CG 3.7Å; W549-P587 HydrophobicContact CD2-CG 4.47Å; W549-P587 HydrophobicContact CG-CG 4.12Å |
| 550 | P | 68.8 | Low | 75.7 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 44% | 0.442 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -83.4 | -25.7 | 15.1 | -18.7 | 35.4 | 0 | 0 | 0 | 117.4 | V552 Y553 F590 | P550-V552 PolarHBondContact O-N 3.19Å; P550-Y553 WeakPolarHBondContact O-CB 3.5Å; P550-Y553 PolarHBondContact O-N 2.64Å; P550-F590 HydrophobicContact CB-CD2 4.42Å; P550-F590 HydrophobicContact CB-CE2 3.72Å; P550-F590 HydrophobicContact CB-CZ 4.12Å; P550-F590 HydrophobicContact CG-CE2 4.35Å |
| 551 | N | 65.6 | Low | 75.7 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -9.8 | -163.9 | -65.8 | 4.8 | 0 | 0 | 0 | 115.5 | P517 K548 Y553 | P517-N551 HydrophobicContact CG-CB 3.93Å; K548-N551 PolarHBondContact O-N 3.29Å; N551-Y553 VanDerWaalsContact C-N 3.26Å |
| 552 | V | 72.4 | Confident | 75.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.4 | -21.4 | 172.4 | -151.1 | 0 | 0 | 0 | 0 | 111.8 | I544 F547 W549 P550 D554 I555 W556 | I544-V552 HydrophobicContact CB-CG1 4.22Å; I544-V552 HydrophobicContact CG1-CG1 3.95Å; I544-V552 HydrophobicContact CG2-CG1 4.08Å; F547-V552 HydrophobicContact CB-CG2 3.89Å; W549-V552 HydrophobicContact CD2-CB 4.37Å; W549-V552 HydrophobicContact CD2-CG2 4.31Å; W549-V552 HydrophobicContact CE3-CB 4.37Å; W549-V552 HydrophobicContact CG-CG2 4.33Å; P550-V552 PolarHBondContact O-N 3.19Å; V552-D554 PolarHBondContact O-N 2.68Å; V552-I555 WeakPolarHBondContact O-CB 3.41Å; V552-I555 PolarHBondContact O-N 2.87Å; V552-W556 VanDerWaalsContact CG1-CD1 3.46Å; V552-W556 HydrophobicContact CG1-CG 4.38Å; V552-W556 WeakPolarHBondContact O-CB 3.38Å; V552-W556 PolarHBondContact O-N 2.85Å |
| 553 | Y | 71.1 | Confident | 75.2 | Confident | 40 Ų | 40 | 45.7 Ų | 45.7 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.5 | -46.5 | -174.7 | 172.8 | -110.8 | 0 | 0 | 0 | 113.2 | P550 N551 I555 W556 N557 F590 T593 V594 | P550-Y553 WeakPolarHBondContact O-CB 3.5Å; P550-Y553 PolarHBondContact O-N 2.64Å; N551-Y553 VanDerWaalsContact C-N 3.26Å; Y553-I555 VanDerWaalsContact C-N 3.35Å; Y553-W556 PolarHBondContact O-N 3.19Å; Y553-N557 WeakPolarHBondContact CE1-ND2 3.24Å; Y553-N557 WeakPolarHBondContact CE2-ND2 3.3Å; Y553-N557 PolarHBondContact O-N 3.16Å; Y553-N557 PolarHBondContact O-ND2 2.92Å; Y553-N557 PolarHBondContact OH-ND2 3.41Å; Y553-F590 AromaticContact CD1-CD1 3.5Å; Y553-F590 HydrophobicContact CD1-CD1 3.5Å; Y553-F590 AromaticContact CD1-CE1 3.82Å; Y553-F590 HydrophobicContact CD1-CE1 3.82Å; Y553-F590 HydrophobicContact CD1-CG 4.45Å; Y553-F590 HydrophobicContact CD2-CB 3.61Å; Y553-F590 AromaticContact CD2-CD1 3.67Å; Y553-F590 HydrophobicContact CD2-CD1 3.67Å; Y553-F590 AromaticContact CD2-CG 3.96Å; Y553-F590 HydrophobicContact CD2-CG 3.96Å; Y553-F590 AromaticContact CE1-CD1 3.71Å; Y553-F590 HydrophobicContact CE1-CD1 3.71Å; Y553-F590 HydrophobicContact CE1-CE1 4.1Å; Y553-F590 HydrophobicContact CE2-CB 3.95Å; Y553-F590 AromaticContact CE2-CD1 3.86Å; Y553-F590 HydrophobicContact CE2-CD1 3.86Å; Y553-F590 HydrophobicContact CE2-CG 4.37Å; Y553-F590 HydrophobicContact CG-CB 4.12Å; Y553-F590 AromaticContact CG-CD1 3.45Å; Y553-F590 HydrophobicContact CG-CD1 3.45Å; Y553-F590 VanDerWaalsContact CG-CD1 3.45Å; Y553-F590 HydrophobicContact CG-CE1 4.13Å; Y553-F590 AromaticContact CG-CG 3.97Å; Y553-F590 HydrophobicContact CG-CG 3.97Å; Y553-F590 AromaticContact CZ-CD1 3.87Å; Y553-T593 WeakPolarHBondContact CE2-OG1 3.43Å; Y553-T593 VanDerWaalsContact CZ-OG1 3.31Å; Y553-T593 WeakPolarHBondContact OH-CB 3.43Å; Y553-T593 WeakPolarHBondContact OH-CG2 3.46Å; Y553-T593 PolarHBondContact OH-OG1 3.14Å; Y553-V594 HydrophobicContact CE2-CG2 4.39Å |
| 554 | D | 76.7 | Confident | 75 | Confident | 85 Ų | 85 | 47.1 Ų | 47.1 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.7 | -39.2 | -179.6 | -56.7 | -45.7 | 0 | 0 | 0 | 111.1 | V552 N557 T558 | V552-D554 PolarHBondContact O-N 2.68Å; D554-N557 PolarHBondContact O-N 3.44Å; D554-T558 WeakPolarHBondContact O-CG2 3.42Å; D554-T558 PolarHBondContact O-N 3.33Å; D554-T558 PolarHBondContact O-OG1 3.17Å |
| 555 | I | 79.5 | Confident | 75 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -47.7 | 174.7 | -50.4 | 179.8 | 0 | 0 | 0 | 110 | P517 Y540 I544 F547 V552 Y553 T558 Y559 | P517-I555 HydrophobicContact CB-CD1 3.89Å; P517-I555 HydrophobicContact CB-CG1 3.85Å; P517-I555 HydrophobicContact CG-CD1 4.33Å; Y540-I555 HydrophobicContact CD1-CG2 3.8Å; I544-I555 HydrophobicContact CG1-CG2 4Å; F547-I555 HydrophobicContact CD2-CD1 3.27Å; F547-I555 HydrophobicContact CE2-CD1 3.58Å; F547-I555 HydrophobicContact CG-CD1 4.26Å; V552-I555 WeakPolarHBondContact O-CB 3.41Å; V552-I555 PolarHBondContact O-N 2.87Å; Y553-I555 VanDerWaalsContact C-N 3.35Å; I555-T558 PolarHBondContact O-N 3.12Å; I555-T558 PolarHBondContact O-OG1 3.12Å; I555-Y559 WeakPolarHBondContact O-CB 3.5Å; I555-Y559 PolarHBondContact O-N 2.93Å |
| 556 | W | 80.6 | Confident | 74.4 | Confident | 9 Ų | 9 | 53 Ų | 53 | 3% | 0.034 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.9 | -47 | 176.3 | -88.4 | 127 | 0 | 0 | 0 | 111.9 | I544 W549 V552 Y553 Y559 L560 L578 Q581 A582 | I544-W556 HydrophobicContact CD1-CD2 3.83Å; I544-W556 HydrophobicContact CD1-CE3 3.78Å; I544-W556 HydrophobicContact CD1-CH2 3.89Å; I544-W556 HydrophobicContact CD1-CZ2 3.94Å; I544-W556 HydrophobicContact CD1-CZ3 3.79Å; I544-W556 HydrophobicContact CG1-CD2 4.32Å; I544-W556 HydrophobicContact CG1-CZ2 4.41Å; I544-W556 HydrophobicContact CG2-CH2 4.39Å; I544-W556 HydrophobicContact CG2-CZ2 3.6Å; W549-W556 AromaticContact CH2-CD1 3.4Å; W549-W556 VanDerWaalsContact CH2-CD1 3.4Å; W549-W556 HydrophobicContact CH2-CG 4.4Å; W549-W556 AromaticContact CH2-NE1 3.69Å; W549-W556 AromaticContact CZ2-CD1 3.85Å; W549-W556 AromaticContact CZ2-NE1 3.65Å; V552-W556 VanDerWaalsContact CG1-CD1 3.46Å; V552-W556 HydrophobicContact CG1-CG 4.38Å; V552-W556 WeakPolarHBondContact O-CB 3.38Å; V552-W556 PolarHBondContact O-N 2.85Å; Y553-W556 PolarHBondContact O-N 3.19Å; W556-Y559 AromaticContact CE3-CD1 3.88Å; W556-Y559 HydrophobicContact CE3-CD1 3.88Å; W556-Y559 HydrophobicContact CE3-CE1 4.5Å; W556-Y559 AromaticContact CZ3-CD1 3.76Å; W556-Y559 HydrophobicContact CZ3-CD1 3.76Å; W556-Y559 AromaticContact CZ3-CE1 3.93Å; W556-Y559 HydrophobicContact CZ3-CE1 3.93Å; W556-Y559 PolarHBondContact O-N 3.1Å; W556-L560 HydrophobicContact CB-CD1 4.41Å; W556-L560 HydrophobicContact CE3-CD1 4.14Å; W556-L560 HydrophobicContact CE3-CD2 4.44Å; W556-L560 HydrophobicContact CE3-CG 4.12Å; W556-L560 VanDerWaalsContact O-CB 3.23Å; W556-L560 WeakPolarHBondContact O-CB 3.26Å; W556-L560 WeakPolarHBondContact O-CD1 3.46Å; W556-L560 WeakPolarHBondContact O-CG 3.39Å; W556-L560 PolarHBondContact O-N 3.21Å; W556-L578 HydrophobicContact CH2-CD1 4.05Å; W556-L578 HydrophobicContact CH2-CG 4.45Å; W556-L578 HydrophobicContact CZ3-CD1 3.82Å; W556-L578 HydrophobicContact CZ3-CG 3.87Å; W556-Q581 HydrophobicContact CH2-CB 4.26Å; W556-A582 HydrophobicContact CD2-CB 3.63Å; W556-A582 HydrophobicContact CE3-CB 3.7Å; W556-A582 HydrophobicContact CG-CB 4.25Å; W556-A582 HydrophobicContact CH2-CB 3.86Å; W556-A582 VanDerWaalsContact CZ2-CA 3.5Å; W556-A582 HydrophobicContact CZ2-CB 3.79Å; W556-A582 HydrophobicContact CZ3-CB 3.82Å |
| 557 | N | 80.1 | Confident | 74 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 177.6 | -73.4 | -37.3 | 0 | 0 | 0 | 111.8 | Y553 D554 Y559 L560 T561 | Y553-N557 WeakPolarHBondContact CE1-ND2 3.24Å; Y553-N557 WeakPolarHBondContact CE2-ND2 3.3Å; Y553-N557 PolarHBondContact O-N 3.16Å; Y553-N557 PolarHBondContact O-ND2 2.92Å; Y553-N557 PolarHBondContact OH-ND2 3.41Å; D554-N557 PolarHBondContact O-N 3.44Å; N557-Y559 VanDerWaalsContact C-N 3.32Å; N557-Y559 PolarHBondContact O-N 3.15Å; N557-L560 PolarHBondContact O-N 3.45Å; N557-T561 WeakPolarHBondContact O-CG2 3.21Å; N557-T561 PolarHBondContact O-N 3.35Å; N557-T561 PolarHBondContact O-OG1 2.99Å |
| 558 | T | 80.1 | Confident | 73.4 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | 178.6 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | I521 D554 I555 T561 K562 | I521-T558 HydrophobicContact CD1-CG2 4.26Å; D554-T558 WeakPolarHBondContact O-CG2 3.42Å; D554-T558 PolarHBondContact O-N 3.33Å; D554-T558 PolarHBondContact O-OG1 3.17Å; I555-T558 PolarHBondContact O-N 3.12Å; I555-T558 PolarHBondContact O-OG1 3.12Å; T558-T561 PolarHBondContact O-OG1 3.29Å; T558-K562 VanDerWaalsContact O-CB 3.22Å; T558-K562 WeakPolarHBondContact O-CB 3.48Å; T558-K562 WeakPolarHBondContact O-CG 3.28Å; T558-K562 PolarHBondContact O-N 2.86Å |
| 559 | Y | 81.1 | Confident | 72.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.7 | -44.6 | 179 | 178.2 | -145.7 | 0 | 0 | 0 | 111.5 | F537 Y540 E541 I544 I555 W556 N557 F563 L578 | F537-Y559 HydrophobicContact CB-CE2 3.93Å; F537-Y559 AromaticContact CD1-CD2 3.82Å; F537-Y559 HydrophobicContact CD1-CD2 3.82Å; F537-Y559 AromaticContact CD1-CE2 3.45Å; F537-Y559 HydrophobicContact CD1-CE2 3.45Å; F537-Y559 VanDerWaalsContact CD1-CE2 3.45Å; F537-Y559 HydrophobicContact CE1-CD2 4.41Å; F537-Y559 HydrophobicContact CE1-CE2 4.28Å; F537-Y559 AromaticContact CG-CE2 3.98Å; F537-Y559 HydrophobicContact CG-CE2 3.98Å; Y540-Y559 HydrophobicContact CD1-CG 4.46Å; Y540-Y559 AromaticContact CD2-CD2 3.6Å; Y540-Y559 HydrophobicContact CD2-CD2 3.6Å; Y540-Y559 HydrophobicContact CD2-CE2 4.34Å; Y540-Y559 HydrophobicContact CD2-CG 4.13Å; Y540-Y559 HydrophobicContact CE2-CD2 4.41Å; Y540-Y559 AromaticContact CG-CD2 3.78Å; Y540-Y559 HydrophobicContact CG-CD2 3.78Å; Y540-Y559 AromaticContact CG-CG 3.87Å; Y540-Y559 HydrophobicContact CG-CG 3.87Å; E541-Y559 HydrophobicContact CG-CE1 4.4Å; E541-Y559 WeakPolarHBondContact CG-OH 3.47Å; E541-Y559 PolarHBondContact OE1-OH 3.45Å; E541-Y559 VanDerWaalsContact OE1-OH 3.08Å; I544-Y559 HydrophobicContact CD1-CD1 3.6Å; I544-Y559 HydrophobicContact CD1-CE1 3.94Å; I555-Y559 WeakPolarHBondContact O-CB 3.5Å; I555-Y559 PolarHBondContact O-N 2.93Å; W556-Y559 AromaticContact CE3-CD1 3.88Å; W556-Y559 HydrophobicContact CE3-CD1 3.88Å; W556-Y559 HydrophobicContact CE3-CE1 4.5Å; W556-Y559 AromaticContact CZ3-CD1 3.76Å; W556-Y559 HydrophobicContact CZ3-CD1 3.76Å; W556-Y559 AromaticContact CZ3-CE1 3.93Å; W556-Y559 HydrophobicContact CZ3-CE1 3.93Å; W556-Y559 PolarHBondContact O-N 3.1Å; N557-Y559 VanDerWaalsContact C-N 3.32Å; N557-Y559 PolarHBondContact O-N 3.15Å; Y559-F563 HydrophobicContact CE2-CD2 4.49Å; Y559-F563 VanDerWaalsContact O-CB 3.22Å; Y559-F563 WeakPolarHBondContact O-CB 3.41Å; Y559-F563 PolarHBondContact O-N 2.89Å; Y559-L578 HydrophobicContact CD1-CD1 4.42Å; Y559-L578 HydrophobicContact CD1-CD2 4.16Å; Y559-L578 HydrophobicContact CE1-CD1 3.42Å; Y559-L578 VanDerWaalsContact CE1-CD1 3.42Å; Y559-L578 HydrophobicContact CE1-CD2 3.6Å; Y559-L578 HydrophobicContact CE1-CG 3.95Å; Y559-L578 HydrophobicContact CE2-CD2 4.31Å |
| 560 | L | 77.3 | Confident | 73 | Confident | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.4 | -45 | -178.8 | -69.2 | 166.5 | 0 | 0 | 0 | 111.8 | W556 N557 F563 I564 L578 F579 A582 V594 | W556-L560 HydrophobicContact CB-CD1 4.41Å; W556-L560 HydrophobicContact CE3-CD1 4.14Å; W556-L560 HydrophobicContact CE3-CD2 4.44Å; W556-L560 HydrophobicContact CE3-CG 4.12Å; W556-L560 VanDerWaalsContact O-CB 3.23Å; W556-L560 WeakPolarHBondContact O-CB 3.26Å; W556-L560 WeakPolarHBondContact O-CD1 3.46Å; W556-L560 WeakPolarHBondContact O-CG 3.39Å; W556-L560 PolarHBondContact O-N 3.21Å; N557-L560 PolarHBondContact O-N 3.45Å; L560-F563 PolarHBondContact O-N 3.49Å; L560-I564 WeakPolarHBondContact O-CD1 3.38Å; L560-I564 WeakPolarHBondContact O-CG1 3.34Å; L560-I564 PolarHBondContact O-N 3.41Å; L560-L578 HydrophobicContact CD2-CD2 3.87Å; L560-L578 HydrophobicContact CD2-CG 4.1Å; L560-F579 HydrophobicContact CB-CE1 4.37Å; L560-F579 HydrophobicContact CB-CZ 4.37Å; L560-F579 HydrophobicContact CD1-CD1 4.01Å; L560-F579 HydrophobicContact CD1-CE1 3.75Å; L560-F579 HydrophobicContact CD2-CD1 3.95Å; L560-F579 HydrophobicContact CD2-CD2 4.38Å; L560-F579 HydrophobicContact CD2-CE1 3.82Å; L560-F579 HydrophobicContact CD2-CE2 4.22Å; L560-F579 HydrophobicContact CD2-CG 4.23Å; L560-F579 HydrophobicContact CD2-CZ 3.95Å; L560-F579 HydrophobicContact CG-CE1 4.19Å; L560-A582 HydrophobicContact CD1-CB 4.35Å; L560-V594 HydrophobicContact CD1-CG1 4.25Å |
| 561 | T | 80.6 | Confident | 73.1 | Confident | 51 Ų | 51 | 51.2 Ų | 51.2 | 31% | 0.313 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 176 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | N557 T558 F563 I564 D565 L597 | N557-T561 WeakPolarHBondContact O-CG2 3.21Å; N557-T561 PolarHBondContact O-N 3.35Å; N557-T561 PolarHBondContact O-OG1 2.99Å; T558-T561 PolarHBondContact O-OG1 3.29Å; T561-F563 VanDerWaalsContact C-N 3.27Å; T561-F563 PolarHBondContact O-N 3.38Å; T561-I564 WeakPolarHBondContact O-CB 3.49Å; T561-I564 PolarHBondContact O-N 3.46Å; T561-I564 VanDerWaalsContact O-N 3.14Å; T561-D565 VanDerWaalsContact O-CG 3.26Å; T561-D565 PolarHBondContact O-N 3.21Å; T561-L597 HydrophobicContact CG2-CD2 4.49Å |
| 562 | K | 75.5 | Confident | 73.2 | Confident | 68 Ų | 68 | 48.8 Ų | 48.8 | 30% | 0.296 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.9 | -31 | 176.8 | -67.8 | -74.4 | -176.7 | 146.4 | 0 | 113.2 | E528 T558 R566 | E528-K562 IonicContact OE1-NZ 3.58Å; E528-K562 PolarHBondContact OE1-NZ 2.73Å; E528-K562 WeakPolarHBondContact OE2-CE 3.34Å; E528-K562 IonicContact OE2-NZ 3.63Å; E528-K562 PolarHBondContact OE2-NZ 2.95Å; T558-K562 VanDerWaalsContact O-CB 3.22Å; T558-K562 WeakPolarHBondContact O-CB 3.48Å; T558-K562 WeakPolarHBondContact O-CG 3.28Å; T558-K562 PolarHBondContact O-N 2.86Å; K562-R566 WeakPolarHBondContact O-CB 3.49Å; K562-R566 PolarHBondContact O-N 3.34Å |
| 563 | F | 76.6 | Confident | 73.2 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.2 | -41.5 | 173.8 | -166.4 | -86.5 | 0 | 0 | 0 | 111.9 | F537 Y559 L560 T561 Y567 R574 A575 L578 | F537-F563 HydrophobicContact CE1-CD2 4.28Å; F537-F563 HydrophobicContact CZ-CD2 4.27Å; Y559-F563 HydrophobicContact CE2-CD2 4.49Å; Y559-F563 VanDerWaalsContact O-CB 3.22Å; Y559-F563 WeakPolarHBondContact O-CB 3.41Å; Y559-F563 PolarHBondContact O-N 2.89Å; L560-F563 PolarHBondContact O-N 3.49Å; T561-F563 VanDerWaalsContact C-N 3.27Å; T561-F563 PolarHBondContact O-N 3.38Å; F563-Y567 HydrophobicContact CD1-CD2 4.32Å; F563-Y567 AromaticContact CD2-CD2 3.9Å; F563-Y567 HydrophobicContact CD2-CD2 3.9Å; F563-Y567 HydrophobicContact CD2-CE2 4.24Å; F563-Y567 HydrophobicContact CE1-CD2 4.08Å; F563-Y567 AromaticContact CE2-CD2 3.65Å; F563-Y567 HydrophobicContact CE2-CD2 3.65Å; F563-Y567 AromaticContact CE2-CE2 3.88Å; F563-Y567 HydrophobicContact CE2-CE2 3.88Å; F563-Y567 HydrophobicContact CG-CD2 4.24Å; F563-Y567 AromaticContact CZ-CD2 3.74Å; F563-Y567 HydrophobicContact CZ-CD2 3.74Å; F563-Y567 HydrophobicContact CZ-CE2 4.31Å; F563-Y567 HydrophobicContact CZ-CG 4.38Å; F563-Y567 PolarHBondContact O-N 3.16Å; F563-R574 HydrophobicContact CZ-CB 4.46Å; F563-R574 HydrophobicContact CZ-CG 4.1Å; F563-A575 HydrophobicContact CD1-CB 4.32Å; F563-A575 HydrophobicContact CE1-CB 3.87Å; F563-L578 HydrophobicContact CD2-CD2 4.31Å; F563-L578 HydrophobicContact CG-CD2 4.24Å |
| 564 | I | 73.8 | Confident | 73.6 | Confident | 29 Ų | 29 | 58 Ų | 58 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60 | -57.4 | 174.4 | -67.3 | 160 | 0 | 0 | 0 | 110.2 | L560 T561 R566 Y567 G568 F579 L601 | L560-I564 WeakPolarHBondContact O-CD1 3.38Å; L560-I564 WeakPolarHBondContact O-CG1 3.34Å; L560-I564 PolarHBondContact O-N 3.41Å; T561-I564 WeakPolarHBondContact O-CB 3.49Å; T561-I564 PolarHBondContact O-N 3.46Å; T561-I564 VanDerWaalsContact O-N 3.14Å; I564-R566 PolarHBondContact O-N 3.35Å; I564-R566 VanDerWaalsContact O-N 3.09Å; I564-Y567 PolarHBondContact O-N 2.84Å; I564-G568 PolarHBondContact O-N 3.04Å; I564-F579 HydrophobicContact CD1-CZ 4.13Å; I564-L601 HydrophobicContact CG1-CD1 3.78Å |
| 565 | D | 76.1 | Confident | 73.5 | Confident | 130 Ų | 130 | 54.2 Ų | 54.2 | 70% | 0.695 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -53.8 | -35.7 | -175.7 | -69.2 | -20.9 | 0 | 0 | 0 | 112.3 | T561 | T561-D565 VanDerWaalsContact O-CG 3.26Å; T561-D565 PolarHBondContact O-N 3.21Å |
| 566 | R | 67.4 | Low | 73.4 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -85.1 | -46.2 | -178.9 | -173.3 | -177.6 | -176 | 80.4 | -2.1 | 113.9 | K562 I564 | K562-R566 WeakPolarHBondContact O-CB 3.49Å; K562-R566 PolarHBondContact O-N 3.34Å; I564-R566 PolarHBondContact O-N 3.35Å; I564-R566 VanDerWaalsContact O-N 3.09Å |
| 567 | Y | 67.1 | Low | 73.4 | Confident | 38 Ų | 38 | 60.8 Ų | 60.8 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -95.6 | -22.3 | -168.7 | -76.9 | -66 | 0 | 0 | 0 | 114.6 | F537 F563 I564 G569 K570 | F537-Y567 HydrophobicContact CD2-CE2 4.48Å; F537-Y567 AromaticContact CE2-CE2 3.6Å; F537-Y567 HydrophobicContact CE2-CE2 3.6Å; F537-Y567 HydrophobicContact CZ-CE2 4.06Å; F563-Y567 HydrophobicContact CD1-CD2 4.32Å; F563-Y567 AromaticContact CD2-CD2 3.9Å; F563-Y567 HydrophobicContact CD2-CD2 3.9Å; F563-Y567 HydrophobicContact CD2-CE2 4.24Å; F563-Y567 HydrophobicContact CE1-CD2 4.08Å; F563-Y567 AromaticContact CE2-CD2 3.65Å; F563-Y567 HydrophobicContact CE2-CD2 3.65Å; F563-Y567 AromaticContact CE2-CE2 3.88Å; F563-Y567 HydrophobicContact CE2-CE2 3.88Å; F563-Y567 HydrophobicContact CG-CD2 4.24Å; F563-Y567 AromaticContact CZ-CD2 3.74Å; F563-Y567 HydrophobicContact CZ-CD2 3.74Å; F563-Y567 HydrophobicContact CZ-CE2 4.31Å; F563-Y567 HydrophobicContact CZ-CG 4.38Å; F563-Y567 PolarHBondContact O-N 3.16Å; I564-Y567 PolarHBondContact O-N 2.84Å; Y567-G569 PolarHBondContact O-N 3.29Å; Y567-K570 PolarHBondContact O-N 3.28Å |
| 568 | G | 58.9 | Low | 73.4 | Confident | 18 Ų | 18 | 60 Ų | 60 | 19% | 0.186 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | -87.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I564 Y605 | I564-G568 PolarHBondContact O-N 3.04Å; G568-Y605 WeakPolarHBondContact O-CD2 3.19Å; G568-Y605 VanDerWaalsContact O-CG 3.32Å |
| 569 | G | 58.9 | Low | 73.2 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 3.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y567 | Y567-G569 PolarHBondContact O-N 3.29Š|
| 570 | K | 64.1 | Low | 73 | Confident | 185 Ų | 185 | 60.6 Ų | 60.6 | 80% | 0.804 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -20.8 | -169.7 | -70.4 | -176 | -179.4 | 173.9 | 0 | 115.4 | Y567 | Y567-K570 PolarHBondContact O-N 3.28Š|
| 571 | K | 71 | Confident | 73.1 | Confident | 97 Ų | 97 | 66.2 Ų | 66.2 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.8 | 54.9 | -178.2 | -67 | -170.2 | 178.2 | -178.7 | 0 | 111.6 | E573 R574 A575 | K571-E573 VanDerWaalsContact C-N 3.31Å; K571-E573 PolarHBondContact O-N 3.19Å; K571-R574 HydrophobicContact CB-CB 4.3Å; K571-R574 PolarHBondContact O-N 3.29Å; K571-A575 PolarHBondContact O-N 3.24Å |
| 572 | L | 69.3 | Low | 72.7 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.5 | -36.4 | -176.5 | -70.2 | 168.3 | 0 | 0 | 0 | 113.6 | A575 R576 L601 Y605 | L572-A575 WeakPolarHBondContact O-CB 3.4Å; L572-A575 PolarHBondContact O-N 3.46Å; L572-A575 VanDerWaalsContact O-N 3.17Å; L572-R576 WeakPolarHBondContact O-CG 3.13Å; L572-R576 PolarHBondContact O-N 2.98Å; L572-L601 HydrophobicContact CD2-CD2 4.42Å; L572-Y605 WeakPolarHBondContact CD1-O 3.5Å |
| 573 | E | 72.4 | Confident | 72.5 | Confident | 148 Ų | 148 | 61.4 Ų | 61.4 | 69% | 0.692 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 176.9 | -64.4 | 179.5 | 160.7 | 0 | 0 | 111.7 | K571 A575 R576 D577 | K571-E573 VanDerWaalsContact C-N 3.31Å; K571-E573 PolarHBondContact O-N 3.19Å; E573-A575 VanDerWaalsContact C-N 3.28Å; E573-A575 PolarHBondContact O-N 3.03Å; E573-R576 WeakPolarHBondContact O-CB 3.33Å; E573-R576 PolarHBondContact O-N 3.22Å; E573-R576 VanDerWaalsContact O-N 3.15Å; E573-D577 PolarHBondContact O-N 3.26Å |
| 574 | R | 78.1 | Confident | 72.2 | Confident | 91 Ų | 91 | 68 Ų | 68 | 34% | 0.343 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.7 | -33.3 | 172.9 | -174.3 | 175.6 | 177.9 | -177.7 | 0.8 | 112.2 | E541 F563 K571 L578 | E541-R574 IonicContact OE1-NH2 2.93Å; E541-R574 PolarHBondContact OE1-NH2 2.87Å; F563-R574 HydrophobicContact CZ-CB 4.46Å; F563-R574 HydrophobicContact CZ-CG 4.1Å; K571-R574 HydrophobicContact CB-CB 4.3Å; K571-R574 PolarHBondContact O-N 3.29Å; R574-L578 VanDerWaalsContact O-CB 3.22Å; R574-L578 WeakPolarHBondContact O-CB 3.38Å; R574-L578 PolarHBondContact O-N 3.36Å; R574-L578 VanDerWaalsContact O-N 3.13Å |
| 575 | A | 74.6 | Confident | 71.6 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 3% | 0.033 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | F563 K571 L572 E573 L578 F579 L601 | F563-A575 HydrophobicContact CD1-CB 4.32Å; F563-A575 HydrophobicContact CE1-CB 3.87Å; K571-A575 PolarHBondContact O-N 3.24Å; L572-A575 WeakPolarHBondContact O-CB 3.4Å; L572-A575 PolarHBondContact O-N 3.46Å; L572-A575 VanDerWaalsContact O-N 3.17Å; E573-A575 VanDerWaalsContact C-N 3.28Å; E573-A575 PolarHBondContact O-N 3.03Å; A575-L578 WeakPolarHBondContact O-CB 3.45Å; A575-L578 PolarHBondContact O-N 3.18Å; A575-F579 WeakPolarHBondContact O-CD2 3.5Å; A575-F579 PolarHBondContact O-N 3.27Å; A575-L601 HydrophobicContact CB-CD1 4.34Å; A575-L601 HydrophobicContact CB-CD2 4.3Å |
| 576 | R | 77.9 | Confident | 71 | Confident | 51 Ų | 51 | 63.4 Ų | 63.4 | 19% | 0.192 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -52.3 | 176.1 | -71.7 | 169.1 | 177.9 | 157.2 | 2.3 | 111.8 | L572 E573 L578 F579 E580 Y598 E602 | L572-R576 WeakPolarHBondContact O-CG 3.13Å; L572-R576 PolarHBondContact O-N 2.98Å; E573-R576 WeakPolarHBondContact O-CB 3.33Å; E573-R576 PolarHBondContact O-N 3.22Å; E573-R576 VanDerWaalsContact O-N 3.15Å; R576-L578 PolarHBondContact O-N 3.36Å; R576-L578 VanDerWaalsContact O-N 3.13Å; R576-F579 PolarHBondContact O-N 3.03Å; R576-E580 WeakPolarHBondContact O-CG 3.32Å; R576-E580 PolarHBondContact O-N 3.09Å; R576-Y598 HydrophobicContact CG-CE2 4.1Å; R576-E602 IonicContact CZ-OE1 2.7Å; R576-E602 IonicContact CZ-OE2 2.66Å; R576-E602 IonicContact NE-OE1 3.35Å; R576-E602 PolarHBondContact NE-OE1 2.95Å; R576-E602 IonicContact NE-OE2 3.68Å; R576-E602 IonicContact NH2-OE1 3.74Å; R576-E602 PolarHBondContact NH2-OE1 3.37Å; R576-E602 VanDerWaalsContact NH2-OE1 3.13Å; R576-E602 IonicContact NH2-OE2 2.7Å; R576-E602 PolarHBondContact NH2-OE2 3.13Å |
| 577 | D | 81.6 | Confident | 70.9 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -53.7 | -37.1 | 177.1 | -66.3 | -19.7 | 0 | 0 | 0 | 111.4 | E573 Q581 | E573-D577 PolarHBondContact O-N 3.26Å; D577-Q581 WeakPolarHBondContact O-CB 3.47Å; D577-Q581 WeakPolarHBondContact O-CG 3.3Å; D577-Q581 PolarHBondContact O-N 3.32Å |
| 578 | L | 78.9 | Confident | 70.8 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73 | -39.7 | 178.2 | -166 | 70.9 | 0 | 0 | 0 | 113.2 | W556 Y559 L560 F563 R574 A575 R576 A582 | W556-L578 HydrophobicContact CH2-CD1 4.05Å; W556-L578 HydrophobicContact CH2-CG 4.45Å; W556-L578 HydrophobicContact CZ3-CD1 3.82Å; W556-L578 HydrophobicContact CZ3-CG 3.87Å; Y559-L578 HydrophobicContact CD1-CD1 4.42Å; Y559-L578 HydrophobicContact CD1-CD2 4.16Å; Y559-L578 HydrophobicContact CE1-CD1 3.42Å; Y559-L578 VanDerWaalsContact CE1-CD1 3.42Å; Y559-L578 HydrophobicContact CE1-CD2 3.6Å; Y559-L578 HydrophobicContact CE1-CG 3.95Å; Y559-L578 HydrophobicContact CE2-CD2 4.31Å; L560-L578 HydrophobicContact CD2-CD2 3.87Å; L560-L578 HydrophobicContact CD2-CG 4.1Å; F563-L578 HydrophobicContact CD2-CD2 4.31Å; F563-L578 HydrophobicContact CG-CD2 4.24Å; R574-L578 VanDerWaalsContact O-CB 3.22Å; R574-L578 WeakPolarHBondContact O-CB 3.38Å; R574-L578 PolarHBondContact O-N 3.36Å; R574-L578 VanDerWaalsContact O-N 3.13Å; A575-L578 WeakPolarHBondContact O-CB 3.45Å; A575-L578 PolarHBondContact O-N 3.18Å; R576-L578 PolarHBondContact O-N 3.36Å; R576-L578 VanDerWaalsContact O-N 3.13Å; L578-A582 WeakPolarHBondContact O-CB 3.43Å; L578-A582 PolarHBondContact O-N 2.88Å |
| 579 | F | 75.4 | Confident | 71.1 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 172.3 | -84.5 | -69.8 | 0 | 0 | 0 | 112.1 | L560 I564 A575 R576 A582 L583 V594 L597 Y598 L601 | L560-F579 HydrophobicContact CB-CE1 4.37Å; L560-F579 HydrophobicContact CB-CZ 4.37Å; L560-F579 HydrophobicContact CD1-CD1 4.01Å; L560-F579 HydrophobicContact CD1-CE1 3.75Å; L560-F579 HydrophobicContact CD2-CD1 3.95Å; L560-F579 HydrophobicContact CD2-CD2 4.38Å; L560-F579 HydrophobicContact CD2-CE1 3.82Å; L560-F579 HydrophobicContact CD2-CE2 4.22Å; L560-F579 HydrophobicContact CD2-CG 4.23Å; L560-F579 HydrophobicContact CD2-CZ 3.95Å; L560-F579 HydrophobicContact CG-CE1 4.19Å; I564-F579 HydrophobicContact CD1-CZ 4.13Å; A575-F579 WeakPolarHBondContact O-CD2 3.5Å; A575-F579 PolarHBondContact O-N 3.27Å; R576-F579 PolarHBondContact O-N 3.03Å; F579-A582 WeakPolarHBondContact O-CB 3.17Å; F579-A582 PolarHBondContact O-N 2.68Å; F579-L583 WeakPolarHBondContact O-CB 3.4Å; F579-L583 WeakPolarHBondContact O-CG 3.46Å; F579-L583 PolarHBondContact O-N 2.88Å; F579-V594 HydrophobicContact CD1-CG1 4.18Å; F579-L597 HydrophobicContact CE1-CB 4.17Å; F579-L597 HydrophobicContact CZ-CB 4.42Å; F579-Y598 HydrophobicContact CB-CD1 4.01Å; F579-Y598 HydrophobicContact CB-CD2 3.83Å; F579-Y598 HydrophobicContact CB-CE1 4.12Å; F579-Y598 HydrophobicContact CB-CE2 3.98Å; F579-Y598 HydrophobicContact CB-CG 3.85Å; F579-Y598 HydrophobicContact CD1-CD2 4.25Å; F579-Y598 AromaticContact CD1-CG 3.94Å; F579-Y598 HydrophobicContact CD1-CG 3.94Å; F579-Y598 AromaticContact CD2-CD2 3.59Å; F579-Y598 HydrophobicContact CD2-CD2 3.59Å; F579-Y598 HydrophobicContact CD2-CE2 4.13Å; F579-Y598 HydrophobicContact CD2-CG 4.14Å; F579-Y598 HydrophobicContact CE2-CD2 4.2Å; F579-Y598 HydrophobicContact CG-CD1 4.37Å; F579-Y598 AromaticContact CG-CD2 3.64Å; F579-Y598 HydrophobicContact CG-CD2 3.64Å; F579-Y598 HydrophobicContact CG-CE2 4.22Å; F579-Y598 AromaticContact CG-CG 3.73Å; F579-Y598 HydrophobicContact CG-CG 3.73Å; F579-L601 HydrophobicContact CD2-CD2 4.44Å; F579-L601 HydrophobicContact CE2-CB 4.41Å; F579-L601 HydrophobicContact CE2-CD1 4.27Å; F579-L601 HydrophobicContact CE2-CD2 4.12Å; F579-L601 HydrophobicContact CE2-CG 4.5Å |
| 580 | E | 77.7 | Confident | 71.3 | Confident | 50 Ų | 50 | 66.5 Ų | 66.5 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 176.7 | -57.8 | -68.1 | 162 | 0 | 0 | 110.4 | R576 A582 L583 D584 Y598 R617 | R576-E580 WeakPolarHBondContact O-CG 3.32Å; R576-E580 PolarHBondContact O-N 3.09Å; E580-A582 VanDerWaalsContact C-N 3.31Å; E580-A582 PolarHBondContact O-N 3.31Å; E580-L583 PolarHBondContact O-N 2.85Å; E580-D584 PolarHBondContact O-N 3.2Å; E580-Y598 WeakPolarHBondContact OE1-CE1 3.4Å; E580-Y598 PolarHBondContact OE1-OH 3.33Å; E580-R617 IonicContact OE1-CZ 3.15Å; E580-R617 IonicContact OE1-NH1 2.75Å; E580-R617 PolarHBondContact OE1-NH1 2.82Å; E580-R617 IonicContact OE1-NH2 3.43Å; E580-R617 PolarHBondContact OE1-NH2 2.71Å; E580-R617 IonicContact OE2-CZ 2.76Å; E580-R617 IonicContact OE2-NH1 3.77Å; E580-R617 PolarHBondContact OE2-NH1 3.29Å; E580-R617 IonicContact OE2-NH2 3.69Å |
| 581 | Q | 78.7 | Confident | 71.4 | Confident | 121 Ų | 121 | 57.8 Ų | 57.8 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.1 | -35.9 | 171.2 | -77.2 | 170.9 | 35 | 0 | 0 | 113.6 | W556 D577 L583 | W556-Q581 HydrophobicContact CH2-CB 4.26Å; D577-Q581 WeakPolarHBondContact O-CB 3.47Å; D577-Q581 WeakPolarHBondContact O-CG 3.3Å; D577-Q581 PolarHBondContact O-N 3.32Å; Q581-L583 VanDerWaalsContact C-N 3.31Å |
| 582 | A | 72.3 | Confident | 71.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.6 | -30.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W549 W556 L560 L578 F579 E580 C586 V594 | W549-A582 VanDerWaalsContact CH2-O 3.29Å; W549-A582 WeakPolarHBondContact CH2-O 3.49Å; W549-A582 VanDerWaalsContact CZ2-O 3.26Å; W549-A582 WeakPolarHBondContact CZ2-O 3.23Å; W556-A582 HydrophobicContact CD2-CB 3.63Å; W556-A582 HydrophobicContact CE3-CB 3.7Å; W556-A582 HydrophobicContact CG-CB 4.25Å; W556-A582 HydrophobicContact CH2-CB 3.86Å; W556-A582 VanDerWaalsContact CZ2-CA 3.5Å; W556-A582 HydrophobicContact CZ2-CB 3.79Å; W556-A582 HydrophobicContact CZ3-CB 3.82Å; L560-A582 HydrophobicContact CD1-CB 4.35Å; L578-A582 WeakPolarHBondContact O-CB 3.43Å; L578-A582 PolarHBondContact O-N 2.88Å; F579-A582 WeakPolarHBondContact O-CB 3.17Å; F579-A582 PolarHBondContact O-N 2.68Å; E580-A582 VanDerWaalsContact C-N 3.31Å; E580-A582 PolarHBondContact O-N 3.31Å; A582-C586 WeakPolarHBondContact O-CB 3.42Å; A582-V594 HydrophobicContact CB-CG1 4.27Å |
| 583 | L | 71.3 | Confident | 71.5 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 9% | 0.094 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -84 | -34.9 | -178.4 | -69.8 | 172.2 | 0 | 0 | 0 | 113.2 | F579 E580 Q581 G585 C586 V594 Y595 Y598 | F579-L583 WeakPolarHBondContact O-CB 3.4Å; F579-L583 WeakPolarHBondContact O-CG 3.46Å; F579-L583 PolarHBondContact O-N 2.88Å; E580-L583 PolarHBondContact O-N 2.85Å; Q581-L583 VanDerWaalsContact C-N 3.31Å; L583-G585 PolarHBondContact O-N 3.13Å; L583-C586 PolarHBondContact O-N 2.98Å; L583-V594 HydrophobicContact CD2-CB 4.32Å; L583-V594 HydrophobicContact CD2-CG1 3.87Å; L583-V594 HydrophobicContact CG-CG1 4.3Å; L583-Y595 HydrophobicContact CD1-CD1 4.08Å; L583-Y595 HydrophobicContact CD1-CE1 3.52Å; L583-Y595 HydrophobicContact CD2-CD1 4.2Å; L583-Y595 HydrophobicContact CD2-CD2 3.89Å; L583-Y595 HydrophobicContact CD2-CE1 3.91Å; L583-Y595 HydrophobicContact CD2-CE2 3.54Å; L583-Y595 HydrophobicContact CD2-CG 4.18Å; L583-Y595 HydrophobicContact CG-CE1 4.34Å; L583-Y598 HydrophobicContact CD1-CD1 3.97Å; L583-Y598 HydrophobicContact CD1-CE1 4.21Å |
| 584 | D | 70.2 | Confident | 71.7 | Confident | 143 Ų | 143 | 48.2 Ų | 48.2 | 77% | 0.765 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -13.6 | -177.4 | -83.9 | -17.5 | 0 | 0 | 0 | 115 | E580 | E580-D584 PolarHBondContact O-N 3.2Š|
| 585 | G | 62.3 | Low | 71.6 | Confident | 40 Ų | 40 | 45 Ų | 45 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -1.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | W549 L583 P587 | W549-G585 PolarHBondContact NE1-O 3.32Å; L583-G585 PolarHBondContact O-N 3.13Å; G585-P587 WeakPolarHBondContact O-CD 3.01Å |
| 586 | C | 62.2 | Low | 71.9 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | trans | -80.5 | 124 | -159 | -160.2 | 0 | 0 | 0 | 0 | 113.6 | W549 A582 L583 | W549-C586 HydrophobicContact CH2-CB 3.84Å; W549-C586 HydrophobicContact CZ2-CB 4.07Å; W549-C586 HydrophobicContact CZ3-CB 4.27Å; W549-C586 VanDerWaalsContact CZ3-SG 3.54Å; A582-C586 WeakPolarHBondContact O-CB 3.42Å; L583-C586 PolarHBondContact O-N 2.98Å | ||
| 587 | P | 66.7 | Low | 71.9 | Confident | 52 Ų | 52 | 45.9 Ų | 45.9 | 34% | 0.338 | 25% | 0.249 | S | C | . | . | trans | -65.9 | 144.3 | 171.1 | -20 | 32.7 | 0 | 0 | 0 | 112.2 | W549 G585 K589 F590 A591 | W549-P587 HydrophobicContact CB-CG 3.7Å; W549-P587 HydrophobicContact CD2-CG 4.47Å; W549-P587 HydrophobicContact CG-CG 4.12Å; G585-P587 WeakPolarHBondContact O-CD 3.01Å; P587-K589 PolarHBondContact O-N 3.19Å; P587-F590 PolarHBondContact O-N 2.73Å; P587-A591 PolarHBondContact O-N 3.06Å | ||
| 588 | A | 64 | Low | 71.6 | Confident | 40 Ų | 40 | 41.7 Ų | 41.7 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -52.6 | -23.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116 | A621 E623 | A588-A621 WeakPolarHBondContact CA-O 3.43Å; A588-A621 VanDerWaalsContact CB-O 3.3Å; A588-A621 WeakPolarHBondContact CB-O 3.28Å; A588-E623 HydrophobicContact CB-CB 4.44Å |
| 589 | K | 65.8 | Low | 71.5 | Confident | 122 Ų | 122 | 41.2 Ų | 41.2 | 53% | 0.53 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.9 | -30.9 | 177.9 | -50.6 | -156.3 | 169.2 | -96.7 | 0 | 114.2 | P587 E623 | P587-K589 PolarHBondContact O-N 3.19Å; K589-E623 WeakPolarHBondContact CE-OE1 3.31Å; K589-E623 WeakPolarHBondContact CG-OE2 3.42Å; K589-E623 IonicContact NZ-OE1 2.88Å; K589-E623 PolarHBondContact NZ-OE1 2.86Å; K589-E623 IonicContact NZ-OE2 3.57Å; K589-E623 PolarHBondContact NZ-OE2 3.19Å |
| 590 | F | 62.5 | Low | 71.6 | Confident | 61 Ų | 61 | 46.2 Ų | 46.2 | 27% | 0.268 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -107.5 | -14.4 | -175.1 | -67.1 | -72.6 | 0 | 0 | 0 | 112.4 | P550 Y553 P587 K592 T593 | P550-F590 HydrophobicContact CB-CD2 4.42Å; P550-F590 HydrophobicContact CB-CE2 3.72Å; P550-F590 HydrophobicContact CB-CZ 4.12Å; P550-F590 HydrophobicContact CG-CE2 4.35Å; Y553-F590 AromaticContact CD1-CD1 3.5Å; Y553-F590 HydrophobicContact CD1-CD1 3.5Å; Y553-F590 AromaticContact CD1-CE1 3.82Å; Y553-F590 HydrophobicContact CD1-CE1 3.82Å; Y553-F590 HydrophobicContact CD1-CG 4.45Å; Y553-F590 HydrophobicContact CD2-CB 3.61Å; Y553-F590 AromaticContact CD2-CD1 3.67Å; Y553-F590 HydrophobicContact CD2-CD1 3.67Å; Y553-F590 AromaticContact CD2-CG 3.96Å; Y553-F590 HydrophobicContact CD2-CG 3.96Å; Y553-F590 AromaticContact CE1-CD1 3.71Å; Y553-F590 HydrophobicContact CE1-CD1 3.71Å; Y553-F590 HydrophobicContact CE1-CE1 4.1Å; Y553-F590 HydrophobicContact CE2-CB 3.95Å; Y553-F590 AromaticContact CE2-CD1 3.86Å; Y553-F590 HydrophobicContact CE2-CD1 3.86Å; Y553-F590 HydrophobicContact CE2-CG 4.37Å; Y553-F590 HydrophobicContact CG-CB 4.12Å; Y553-F590 AromaticContact CG-CD1 3.45Å; Y553-F590 HydrophobicContact CG-CD1 3.45Å; Y553-F590 VanDerWaalsContact CG-CD1 3.45Å; Y553-F590 HydrophobicContact CG-CE1 4.13Å; Y553-F590 AromaticContact CG-CG 3.97Å; Y553-F590 HydrophobicContact CG-CG 3.97Å; Y553-F590 AromaticContact CZ-CD1 3.87Å; P587-F590 PolarHBondContact O-N 2.73Å; F590-K592 VanDerWaalsContact C-N 3.28Å; F590-K592 PolarHBondContact O-N 3.37Å; F590-T593 PolarHBondContact O-OG1 3.19Å |
| 591 | A | 66 | Low | 71.5 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.4 | -37.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P587 T593 V594 Y595 | P587-A591 PolarHBondContact O-N 3.06Å; A591-T593 PolarHBondContact O-N 3.45Å; A591-V594 PolarHBondContact O-N 3.21Å; A591-Y595 HydrophobicContact CB-CD2 3.93Å; A591-Y595 HydrophobicContact CB-CE2 3.97Å; A591-Y595 WeakPolarHBondContact O-CB 2.97Å; A591-Y595 WeakPolarHBondContact O-CD2 3.17Å; A591-Y595 PolarHBondContact O-N 2.79Å |
| 592 | K | 69.2 | Low | 71.3 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 16% | 0.161 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -50.2 | -50.9 | -175 | 170.6 | 177.2 | 170.9 | -178.4 | 0 | 113.7 | F590 L596 V622 E626 M630 | F590-K592 VanDerWaalsContact C-N 3.28Å; F590-K592 PolarHBondContact O-N 3.37Å; K592-L596 HydrophobicContact CG-CD1 4.17Å; K592-L596 VanDerWaalsContact O-CG 3.26Å; K592-L596 WeakPolarHBondContact O-CG 3.34Å; K592-L596 PolarHBondContact O-N 2.74Å; K592-V622 HydrophobicContact CB-CG2 4.11Å; K592-E626 HydrophobicContact CD-CB 4.21Å; K592-E626 HydrophobicContact CD-CG 4.43Å; K592-E626 VanDerWaalsContact CD-OE1 3.31Å; K592-E626 WeakPolarHBondContact CD-OE1 3.4Å; K592-E626 WeakPolarHBondContact CD-OE2 3.47Å; K592-E626 IonicContact NZ-OE1 3.47Å; K592-E626 PolarHBondContact NZ-OE1 3Å; K592-E626 IonicContact NZ-OE2 2.68Å; K592-M630 HydrophobicContact CB-CE 4.48Å; K592-M630 HydrophobicContact CG-CE 4.03Å |
| 593 | T | 74.6 | Confident | 71.4 | Confident | 48 Ų | 48 | 40.7 Ų | 40.7 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -75.4 | -38 | -175.5 | 44.2 | 0 | 0 | 0 | 0 | 112.1 | Y553 F590 A591 L596 L597 | Y553-T593 WeakPolarHBondContact CE2-OG1 3.43Å; Y553-T593 VanDerWaalsContact CZ-OG1 3.31Å; Y553-T593 WeakPolarHBondContact OH-CB 3.43Å; Y553-T593 WeakPolarHBondContact OH-CG2 3.46Å; Y553-T593 PolarHBondContact OH-OG1 3.14Å; F590-T593 PolarHBondContact O-OG1 3.19Å; A591-T593 PolarHBondContact O-N 3.45Å; T593-L596 PolarHBondContact O-N 2.78Å; T593-L597 WeakPolarHBondContact O-CG 3.44Å; T593-L597 PolarHBondContact O-N 2.78Å |
| 594 | V | 75.2 | Confident | 71.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 172.5 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | Y553 L560 F579 A582 L583 A591 L596 L597 Y598 | Y553-V594 HydrophobicContact CE2-CG2 4.39Å; L560-V594 HydrophobicContact CD1-CG1 4.25Å; F579-V594 HydrophobicContact CD1-CG1 4.18Å; A582-V594 HydrophobicContact CB-CG1 4.27Å; L583-V594 HydrophobicContact CD2-CB 4.32Å; L583-V594 HydrophobicContact CD2-CG1 3.87Å; L583-V594 HydrophobicContact CG-CG1 4.3Å; A591-V594 PolarHBondContact O-N 3.21Å; V594-L596 PolarHBondContact O-N 2.82Å; V594-L597 PolarHBondContact O-N 2.94Å; V594-Y598 WeakPolarHBondContact O-CB 3.4Å; V594-Y598 PolarHBondContact O-N 2.91Å |
| 595 | Y | 77.5 | Confident | 71.2 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 174.2 | -85.2 | -64.1 | 0 | 0 | 0 | 113 | L583 A591 Y598 A599 V614 R617 A618 A621 | L583-Y595 HydrophobicContact CD1-CD1 4.08Å; L583-Y595 HydrophobicContact CD1-CE1 3.52Å; L583-Y595 HydrophobicContact CD2-CD1 4.2Å; L583-Y595 HydrophobicContact CD2-CD2 3.89Å; L583-Y595 HydrophobicContact CD2-CE1 3.91Å; L583-Y595 HydrophobicContact CD2-CE2 3.54Å; L583-Y595 HydrophobicContact CD2-CG 4.18Å; L583-Y595 HydrophobicContact CG-CE1 4.34Å; A591-Y595 HydrophobicContact CB-CD2 3.93Å; A591-Y595 HydrophobicContact CB-CE2 3.97Å; A591-Y595 WeakPolarHBondContact O-CB 2.97Å; A591-Y595 WeakPolarHBondContact O-CD2 3.17Å; A591-Y595 PolarHBondContact O-N 2.79Å; Y595-Y598 PolarHBondContact O-N 2.77Å; Y595-A599 VanDerWaalsContact O-CB 3.23Å; Y595-A599 WeakPolarHBondContact O-CB 3.46Å; Y595-A599 PolarHBondContact O-N 3.15Å; Y595-V614 HydrophobicContact CD1-CG1 4.02Å; Y595-R617 HydrophobicContact CE1-CB 4.12Å; Y595-A618 HydrophobicContact CD1-CB 3.69Å; Y595-A618 HydrophobicContact CD2-CB 3.96Å; Y595-A618 HydrophobicContact CE1-CB 4.35Å; Y595-A618 HydrophobicContact CG-CB 3.47Å; Y595-A618 VanDerWaalsContact CG-CB 3.47Å; Y595-A621 HydrophobicContact CE2-CB 3.58Å |
| 596 | L | 79.2 | Confident | 71.5 | Confident | 35 Ų | 35 | 43.8 Ų | 43.8 | 18% | 0.183 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.3 | -35.3 | 175.5 | -72.1 | 171.6 | 0 | 0 | 0 | 112.6 | K592 T593 V594 K600 Y615 M630 I633 | K592-L596 HydrophobicContact CG-CD1 4.17Å; K592-L596 VanDerWaalsContact O-CG 3.26Å; K592-L596 WeakPolarHBondContact O-CG 3.34Å; K592-L596 PolarHBondContact O-N 2.74Å; T593-L596 PolarHBondContact O-N 2.78Å; V594-L596 PolarHBondContact O-N 2.82Å; L596-K600 WeakPolarHBondContact O-CB 3.27Å; L596-K600 VanDerWaalsContact O-CG 3.27Å; L596-K600 WeakPolarHBondContact O-CG 3.49Å; L596-K600 PolarHBondContact O-N 3.25Å; L596-Y615 HydrophobicContact CD2-CE1 4.3Å; L596-M630 HydrophobicContact CD1-CE 4.5Å; L596-M630 HydrophobicContact CD2-CE 4.11Å; L596-M630 HydrophobicContact CD2-SD 4.17Å; L596-M630 HydrophobicContact CG-CE 3.98Å; L596-I633 HydrophobicContact CD1-CD1 4.14Å; L596-I633 HydrophobicContact CD2-CD1 3.78Å; L596-I633 HydrophobicContact CD2-CG2 3.98Å |
| 597 | L | 77.9 | Confident | 72.1 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.8 | -44.2 | 173.6 | -73 | 169.2 | 0 | 0 | 0 | 111.4 | T561 F579 T593 V594 K600 L601 | T561-L597 HydrophobicContact CG2-CD2 4.49Å; F579-L597 HydrophobicContact CE1-CB 4.17Å; F579-L597 HydrophobicContact CZ-CB 4.42Å; T593-L597 WeakPolarHBondContact O-CG 3.44Å; T593-L597 PolarHBondContact O-N 2.78Å; V594-L597 PolarHBondContact O-N 2.94Å; L597-K600 PolarHBondContact O-N 3.44Å; L597-L601 PolarHBondContact O-N 3.33Å |
| 598 | Y | 76.4 | Confident | 72.2 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.3 | -172.6 | -162.9 | 0 | 0 | 0 | 111.5 | R576 F579 E580 L583 V594 Y595 L601 E602 V614 | R576-Y598 HydrophobicContact CG-CE2 4.1Å; F579-Y598 HydrophobicContact CB-CD1 4.01Å; F579-Y598 HydrophobicContact CB-CD2 3.83Å; F579-Y598 HydrophobicContact CB-CE1 4.12Å; F579-Y598 HydrophobicContact CB-CE2 3.98Å; F579-Y598 HydrophobicContact CB-CG 3.85Å; F579-Y598 HydrophobicContact CD1-CD2 4.25Å; F579-Y598 AromaticContact CD1-CG 3.94Å; F579-Y598 HydrophobicContact CD1-CG 3.94Å; F579-Y598 AromaticContact CD2-CD2 3.59Å; F579-Y598 HydrophobicContact CD2-CD2 3.59Å; F579-Y598 HydrophobicContact CD2-CE2 4.13Å; F579-Y598 HydrophobicContact CD2-CG 4.14Å; F579-Y598 HydrophobicContact CE2-CD2 4.2Å; F579-Y598 HydrophobicContact CG-CD1 4.37Å; F579-Y598 AromaticContact CG-CD2 3.64Å; F579-Y598 HydrophobicContact CG-CD2 3.64Å; F579-Y598 HydrophobicContact CG-CE2 4.22Å; F579-Y598 AromaticContact CG-CG 3.73Å; F579-Y598 HydrophobicContact CG-CG 3.73Å; E580-Y598 WeakPolarHBondContact OE1-CE1 3.4Å; E580-Y598 PolarHBondContact OE1-OH 3.33Å; L583-Y598 HydrophobicContact CD1-CD1 3.97Å; L583-Y598 HydrophobicContact CD1-CE1 4.21Å; V594-Y598 WeakPolarHBondContact O-CB 3.4Å; V594-Y598 PolarHBondContact O-N 2.91Å; Y595-Y598 PolarHBondContact O-N 2.77Å; Y598-L601 HydrophobicContact CD2-CD2 4.44Å; Y598-L601 PolarHBondContact O-N 2.69Å; Y598-E602 HydrophobicContact CD2-CG 4.11Å; Y598-E602 HydrophobicContact CE2-CG 3.92Å; Y598-E602 PolarHBondContact O-N 3.14Å; Y598-V614 HydrophobicContact CD1-CB 4.34Å; Y598-V614 HydrophobicContact CD1-CG1 3.52Å; Y598-V614 HydrophobicContact CD1-CG2 3.77Å; Y598-V614 HydrophobicContact CE1-CG1 4.15Å; Y598-V614 HydrophobicContact CE1-CG2 3.52Å; Y598-V614 HydrophobicContact CE2-CG2 4.41Å; Y598-V614 HydrophobicContact CG-CG1 3.94Å; Y598-V614 HydrophobicContact CG-CG2 4.34Å |
| 599 | A | 75.8 | Confident | 72.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y595 E602 E603 V614 Y615 | Y595-A599 VanDerWaalsContact O-CB 3.23Å; Y595-A599 WeakPolarHBondContact O-CB 3.46Å; Y595-A599 PolarHBondContact O-N 3.15Å; A599-E602 PolarHBondContact O-N 3.4Å; A599-E603 WeakPolarHBondContact O-CB 3.42Å; A599-E603 WeakPolarHBondContact O-CG 3.27Å; A599-E603 PolarHBondContact O-N 3.45Å; A599-V614 HydrophobicContact CB-CG1 4.07Å; A599-Y615 HydrophobicContact CB-CD1 4.01Å; A599-Y615 HydrophobicContact CB-CD2 4.32Å; A599-Y615 HydrophobicContact CB-CE1 3.47Å; A599-Y615 VanDerWaalsContact CB-CE1 3.47Å; A599-Y615 HydrophobicContact CB-CE2 3.83Å; A599-Y615 HydrophobicContact CB-CG 4.39Å |
| 600 | K | 77.5 | Confident | 73.1 | Confident | 107 Ų | 107 | 53.3 Ų | 53.3 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 171.6 | -78.5 | 175.8 | 178.5 | -173.4 | 0 | 112.5 | L596 L597 E602 E603 E604 | L596-K600 WeakPolarHBondContact O-CB 3.27Å; L596-K600 VanDerWaalsContact O-CG 3.27Å; L596-K600 WeakPolarHBondContact O-CG 3.49Å; L596-K600 PolarHBondContact O-N 3.25Å; L597-K600 PolarHBondContact O-N 3.44Å; K600-E602 VanDerWaalsContact C-N 3.33Å; K600-E602 PolarHBondContact O-N 2.96Å; K600-E603 PolarHBondContact O-N 3.21Å; K600-E604 WeakPolarHBondContact O-CB 3.42Å; K600-E604 WeakPolarHBondContact O-CG 3.36Å; K600-E604 PolarHBondContact O-N 3.39Å |
| 601 | L | 76.9 | Confident | 73.5 | Confident | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 175.2 | 175.1 | 124.3 | 0 | 0 | 0 | 111.5 | I564 L572 A575 F579 L597 Y598 E604 Y605 | I564-L601 HydrophobicContact CG1-CD1 3.78Å; L572-L601 HydrophobicContact CD2-CD2 4.42Å; A575-L601 HydrophobicContact CB-CD1 4.34Å; A575-L601 HydrophobicContact CB-CD2 4.3Å; F579-L601 HydrophobicContact CD2-CD2 4.44Å; F579-L601 HydrophobicContact CE2-CB 4.41Å; F579-L601 HydrophobicContact CE2-CD1 4.27Å; F579-L601 HydrophobicContact CE2-CD2 4.12Å; F579-L601 HydrophobicContact CE2-CG 4.5Å; L597-L601 PolarHBondContact O-N 3.33Å; Y598-L601 HydrophobicContact CD2-CD2 4.44Å; Y598-L601 PolarHBondContact O-N 2.69Å; L601-E604 PolarHBondContact O-N 3.29Å; L601-Y605 PolarHBondContact O-N 3.33Å |
| 602 | E | 73.9 | Confident | 73.9 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.3 | -24.4 | 175.7 | -69.4 | -64.9 | 148.2 | 0 | 0 | 113.8 | R576 Y598 A599 K600 G606 A611 | R576-E602 IonicContact CZ-OE1 2.7Å; R576-E602 IonicContact CZ-OE2 2.66Å; R576-E602 IonicContact NE-OE1 3.35Å; R576-E602 PolarHBondContact NE-OE1 2.95Å; R576-E602 IonicContact NE-OE2 3.68Å; R576-E602 IonicContact NH2-OE1 3.74Å; R576-E602 PolarHBondContact NH2-OE1 3.37Å; R576-E602 VanDerWaalsContact NH2-OE1 3.13Å; R576-E602 IonicContact NH2-OE2 2.7Å; R576-E602 PolarHBondContact NH2-OE2 3.13Å; Y598-E602 HydrophobicContact CD2-CG 4.11Å; Y598-E602 HydrophobicContact CE2-CG 3.92Å; Y598-E602 PolarHBondContact O-N 3.14Å; A599-E602 PolarHBondContact O-N 3.4Å; K600-E602 VanDerWaalsContact C-N 3.33Å; K600-E602 PolarHBondContact O-N 2.96Å; E602-G606 CarbonylContact O-C 3.38Å; E602-G606 WeakPolarHBondContact O-CA 3.27Å; E602-G606 PolarHBondContact O-N 3.21Å; E602-G606 VanDerWaalsContact O-N 3.11Å; E602-G606 WeakPolarHBondContact OE2-CA 3.25Å; E602-A611 HydrophobicContact CB-CB 3.93Å |
| 603 | E | 74.1 | Confident | 74.4 | Confident | 50 Ų | 50 | 50.9 Ų | 50.9 | 23% | 0.234 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.4 | -42.5 | 170.6 | -78.8 | -177.4 | 163.7 | 0 | 0 | 112 | A599 K600 A611 Y615 R637 I641 | A599-E603 WeakPolarHBondContact O-CB 3.42Å; A599-E603 WeakPolarHBondContact O-CG 3.27Å; A599-E603 PolarHBondContact O-N 3.45Å; K600-E603 PolarHBondContact O-N 3.21Å; E603-A611 HydrophobicContact CG-CB 4.29Å; E603-Y615 WeakPolarHBondContact OE1-CE2 3.25Å; E603-Y615 PolarHBondContact OE1-OH 2.93Å; E603-R637 VanDerWaalsContact CD-NE 3.34Å; E603-R637 WeakPolarHBondContact OE1-CD 3.49Å; E603-R637 VanDerWaalsContact OE1-CG 3.23Å; E603-R637 WeakPolarHBondContact OE1-CG 3.45Å; E603-R637 IonicContact OE1-CZ 3.4Å; E603-R637 IonicContact OE1-NE 3.87Å; E603-R637 PolarHBondContact OE1-NE 3.21Å; E603-R637 IonicContact OE2-CZ 2.7Å; E603-R637 VanDerWaalsContact OE2-CZ 3.25Å; E603-R637 IonicContact OE2-NE 2.82Å; E603-R637 PolarHBondContact OE2-NE 2.93Å; E603-R637 IonicContact OE2-NH2 2.74Å; E603-R637 PolarHBondContact OE2-NH2 3.46Å; E603-I641 HydrophobicContact CG-CD1 4.41Å |
| 604 | E | 72.6 | Confident | 74.6 | Confident | 129 Ų | 129 | 48.7 Ų | 48.7 | 60% | 0.603 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -83.5 | -33.7 | -174.4 | -70.4 | 175.8 | -174.7 | 0 | 0 | 113.4 | K600 L601 | K600-E604 WeakPolarHBondContact O-CB 3.42Å; K600-E604 WeakPolarHBondContact O-CG 3.36Å; K600-E604 PolarHBondContact O-N 3.39Å; L601-E604 PolarHBondContact O-N 3.29Å |
| 605 | Y | 64.9 | Low | 74.7 | Confident | 107 Ų | 107 | 48.9 Ų | 48.9 | 42% | 0.42 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -130.4 | -6 | -173.2 | -57.4 | -76.6 | 0 | 0 | 0 | 114.6 | G568 L572 L601 | G568-Y605 WeakPolarHBondContact O-CD2 3.19Å; G568-Y605 VanDerWaalsContact O-CG 3.32Å; L572-Y605 WeakPolarHBondContact CD1-O 3.5Å; L601-Y605 PolarHBondContact O-N 3.33Å |
| 606 | G | 69.5 | Low | 74.6 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -104.4 | -161.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | E602 | E602-G606 CarbonylContact O-C 3.38Å; E602-G606 WeakPolarHBondContact O-CA 3.27Å; E602-G606 PolarHBondContact O-N 3.21Å; E602-G606 VanDerWaalsContact O-N 3.11Å; E602-G606 WeakPolarHBondContact OE2-CA 3.25Å |
| 607 | L | 73.6 | Confident | 74.6 | Confident | 109 Ų | 109 | 52.9 Ų | 52.9 | 57% | 0.571 | 26% | 0.255 | S | S | * | . | trans | -100.3 | 127.5 | 173.2 | -79.9 | 157.5 | 0 | 0 | 0 | 108.7 | R609 H610 A611 | L607-R609 PolarHBondContact O-N 3.27Å; L607-H610 HydrophobicContact CB-CB 4.49Å; L607-H610 WeakPolarHBondContact O-CA 3.36Å; L607-H610 WeakPolarHBondContact O-CB 3.43Å; L607-H610 PolarHBondContact O-N 2.93Å; L607-A611 PolarHBondContact O-N 3.43Å; L607-A611 VanDerWaalsContact O-N 3.09Å | ||
| 608 | A | 69.7 | Low | 74.4 | Confident | 39 Ų | 39 | 51.1 Ų | 51.1 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -47.2 | -34 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A611 M612 I641 Y642 | A608-A611 PolarHBondContact O-N 2.93Å; A608-M612 WeakPolarHBondContact O-CG 3.24Å; A608-M612 PolarHBondContact O-N 3.37Å; A608-M612 VanDerWaalsContact O-N 3.07Å; A608-I641 HydrophobicContact CB-CG2 3.71Å; A608-Y642 HydrophobicContact CB-CE2 4.23Å; A608-Y642 WeakPolarHBondContact CB-OH 3.5Å |
| 609 | R | 75.1 | Confident | 74.2 | Confident | 202 Ų | 202 | 51 Ų | 51 | 76% | 0.762 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -69.3 | -33.7 | 176.4 | -171.9 | 176.9 | 179.8 | -178.1 | 0.3 | 113.4 | L607 A613 Y642 | L607-R609 PolarHBondContact O-N 3.27Å; R609-A613 PolarHBondContact O-N 3.25Å; R609-Y642 PolarHBondContact N-OH 3.35Å |
| 610 | H | 72.4 | Confident | 74.1 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 41% | 0.407 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -74.2 | -42.1 | 173 | -78.1 | 15.9 | 0 | 0 | 0 | 110.9 | L607 M612 A613 V614 | L607-H610 HydrophobicContact CB-CB 4.49Å; L607-H610 WeakPolarHBondContact O-CA 3.36Å; L607-H610 WeakPolarHBondContact O-CB 3.43Å; L607-H610 PolarHBondContact O-N 2.93Å; H610-M612 VanDerWaalsContact C-N 3.31Å; H610-M612 PolarHBondContact O-N 2.97Å; H610-A613 CarbonylContact O-C 3.56Å; H610-A613 PolarHBondContact O-N 2.88Å; H610-V614 WeakPolarHBondContact O-CG2 3.31Å; H610-V614 PolarHBondContact O-N 3.24Å |
| 611 | A | 72.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.4 | -46.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | E602 E603 L607 A608 A613 V614 Y615 | E602-A611 HydrophobicContact CB-CB 3.93Å; E603-A611 HydrophobicContact CG-CB 4.29Å; L607-A611 PolarHBondContact O-N 3.43Å; L607-A611 VanDerWaalsContact O-N 3.09Å; A608-A611 PolarHBondContact O-N 2.93Å; A611-A613 PolarHBondContact O-N 3.37Å; A611-V614 PolarHBondContact O-N 3.39Å; A611-Y615 WeakPolarHBondContact O-CD2 3.19Å; A611-Y615 PolarHBondContact O-N 3.36Å |
| 612 | M | 73.1 | Confident | 73.2 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 175 | -65 | -62.9 | 141.1 | 0 | 0 | 113.4 | A608 H610 V614 Y615 E616 Y634 A638 I641 Y642 Y646 | A608-M612 WeakPolarHBondContact O-CG 3.24Å; A608-M612 PolarHBondContact O-N 3.37Å; A608-M612 VanDerWaalsContact O-N 3.07Å; H610-M612 VanDerWaalsContact C-N 3.31Å; H610-M612 PolarHBondContact O-N 2.97Å; M612-V614 VanDerWaalsContact C-N 3.33Å; M612-Y615 PolarHBondContact O-N 2.97Å; M612-E616 WeakPolarHBondContact O-CB 3.38Å; M612-E616 PolarHBondContact O-N 3.33Å; M612-Y634 HydrophobicContact CB-CE2 4.47Å; M612-Y634 HydrophobicContact SD-CD2 4.24Å; M612-Y634 HydrophobicContact SD-CE2 3.61Å; M612-A638 HydrophobicContact CE-CB 4.45Å; M612-A638 HydrophobicContact SD-CB 4.03Å; M612-I641 HydrophobicContact CE-CB 3.84Å; M612-I641 HydrophobicContact CE-CD1 3.5Å; M612-I641 VanDerWaalsContact CE-CD1 3.5Å; M612-I641 HydrophobicContact CE-CG1 4.19Å; M612-I641 HydrophobicContact CE-CG2 4.07Å; M612-Y642 HydrophobicContact CE-CD2 4.02Å; M612-Y642 HydrophobicContact CE-CE2 4.15Å; M612-Y642 HydrophobicContact CG-CD2 3.88Å; M612-Y642 HydrophobicContact CG-CE2 3.49Å; M612-Y642 VanDerWaalsContact CG-CE2 3.49Å; M612-Y642 HydrophobicContact SD-CD2 4.2Å; M612-Y642 HydrophobicContact SD-CE2 4.35Å; M612-Y646 HydrophobicContact CG-CE1 4.46Å; M612-Y646 HydrophobicContact SD-CE1 4.39Å |
| 613 | A | 79.7 | Confident | 72.8 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.1 | -31 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R609 H610 A611 R617 | R609-A613 PolarHBondContact O-N 3.25Å; H610-A613 CarbonylContact O-C 3.56Å; H610-A613 PolarHBondContact O-N 2.88Å; A611-A613 PolarHBondContact O-N 3.37Å; A613-R617 WeakPolarHBondContact O-CG 3.49Å; A613-R617 PolarHBondContact O-N 3Å |
| 614 | V | 79.4 | Confident | 72.3 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69 | -45.4 | 171.6 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | Y595 Y598 A599 H610 A611 M612 E616 R617 A618 | Y595-V614 HydrophobicContact CD1-CG1 4.02Å; Y598-V614 HydrophobicContact CD1-CB 4.34Å; Y598-V614 HydrophobicContact CD1-CG1 3.52Å; Y598-V614 HydrophobicContact CD1-CG2 3.77Å; Y598-V614 HydrophobicContact CE1-CG1 4.15Å; Y598-V614 HydrophobicContact CE1-CG2 3.52Å; Y598-V614 HydrophobicContact CE2-CG2 4.41Å; Y598-V614 HydrophobicContact CG-CG1 3.94Å; Y598-V614 HydrophobicContact CG-CG2 4.34Å; A599-V614 HydrophobicContact CB-CG1 4.07Å; H610-V614 WeakPolarHBondContact O-CG2 3.31Å; H610-V614 PolarHBondContact O-N 3.24Å; A611-V614 PolarHBondContact O-N 3.39Å; M612-V614 VanDerWaalsContact C-N 3.33Å; V614-E616 PolarHBondContact O-N 3.5Å; V614-R617 PolarHBondContact O-N 3.25Å; V614-A618 WeakPolarHBondContact O-CB 3.42Å; V614-A618 PolarHBondContact O-N 3.47Å |
| 615 | Y | 77.9 | Confident | 72 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 174.1 | -75.4 | -58.7 | 0 | 0 | 0 | 113.1 | L596 A599 E603 A611 M612 A618 T619 M630 I633 Y634 R637 | L596-Y615 HydrophobicContact CD2-CE1 4.3Å; A599-Y615 HydrophobicContact CB-CD1 4.01Å; A599-Y615 HydrophobicContact CB-CD2 4.32Å; A599-Y615 HydrophobicContact CB-CE1 3.47Å; A599-Y615 VanDerWaalsContact CB-CE1 3.47Å; A599-Y615 HydrophobicContact CB-CE2 3.83Å; A599-Y615 HydrophobicContact CB-CG 4.39Å; E603-Y615 WeakPolarHBondContact OE1-CE2 3.25Å; E603-Y615 PolarHBondContact OE1-OH 2.93Å; A611-Y615 WeakPolarHBondContact O-CD2 3.19Å; A611-Y615 PolarHBondContact O-N 3.36Å; M612-Y615 PolarHBondContact O-N 2.97Å; Y615-A618 WeakPolarHBondContact O-CB 3.32Å; Y615-A618 PolarHBondContact O-N 2.83Å; Y615-T619 WeakPolarHBondContact O-CG2 3.21Å; Y615-T619 PolarHBondContact O-N 2.93Å; Y615-M630 HydrophobicContact CD1-SD 4.4Å; Y615-I633 HydrophobicContact CE1-CG2 4.04Å; Y615-Y634 HydrophobicContact CD2-CD2 4.12Å; Y615-Y634 AromaticContact CG-CD2 3.82Å; Y615-Y634 HydrophobicContact CG-CD2 3.82Å; Y615-Y634 HydrophobicContact CG-CE2 4.38Å; Y615-Y634 HydrophobicContact CG-CG 4.45Å; Y615-R637 HydrophobicContact CE2-CB 4.05Å; Y615-R637 HydrophobicContact CE2-CG 4.18Å |
| 616 | E | 75.5 | Confident | 72 | Confident | 53 Ų | 53 | 56 Ų | 56 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 175.3 | -177.4 | 166.8 | 168.9 | 0 | 0 | 112.6 | M612 V614 T619 K653 | M612-E616 WeakPolarHBondContact O-CB 3.38Å; M612-E616 PolarHBondContact O-N 3.33Å; V614-E616 PolarHBondContact O-N 3.5Å; E616-T619 PolarHBondContact O-OG1 2.83Å; E616-K653 IonicContact OE1-NZ 2.77Å; E616-K653 PolarHBondContact OE1-NZ 2.89Å; E616-K653 IonicContact OE2-NZ 3.18Å; E616-K653 PolarHBondContact OE2-NZ 3.43Å; E616-K653 VanDerWaalsContact OE2-NZ 3.09Å |
| 617 | R | 77.7 | Confident | 72 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 170.6 | -73.4 | -171.4 | -71.5 | 158.1 | -3.8 | 111.8 | E580 Y595 A613 V614 T619 Q620 A621 | E580-R617 IonicContact OE1-CZ 3.15Å; E580-R617 IonicContact OE1-NH1 2.75Å; E580-R617 PolarHBondContact OE1-NH1 2.82Å; E580-R617 IonicContact OE1-NH2 3.43Å; E580-R617 PolarHBondContact OE1-NH2 2.71Å; E580-R617 IonicContact OE2-CZ 2.76Å; E580-R617 IonicContact OE2-NH1 3.77Å; E580-R617 PolarHBondContact OE2-NH1 3.29Å; E580-R617 IonicContact OE2-NH2 3.69Å; Y595-R617 HydrophobicContact CE1-CB 4.12Å; A613-R617 WeakPolarHBondContact O-CG 3.49Å; A613-R617 PolarHBondContact O-N 3Å; V614-R617 PolarHBondContact O-N 3.25Å; R617-T619 PolarHBondContact O-N 3.34Å; R617-Q620 PolarHBondContact O-N 2.88Å; R617-A621 WeakPolarHBondContact O-CB 3.31Å; R617-A621 PolarHBondContact O-N 3.14Å; R617-A621 VanDerWaalsContact O-N 3.07Å |
| 618 | A | 74.1 | Confident | 71.9 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.7 | -40 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y595 V614 Y615 Q620 A621 V622 M630 | Y595-A618 HydrophobicContact CD1-CB 3.69Å; Y595-A618 HydrophobicContact CD2-CB 3.96Å; Y595-A618 HydrophobicContact CE1-CB 4.35Å; Y595-A618 HydrophobicContact CG-CB 3.47Å; Y595-A618 VanDerWaalsContact CG-CB 3.47Å; V614-A618 WeakPolarHBondContact O-CB 3.42Å; V614-A618 PolarHBondContact O-N 3.47Å; Y615-A618 WeakPolarHBondContact O-CB 3.32Å; Y615-A618 PolarHBondContact O-N 2.83Å; A618-Q620 VanDerWaalsContact C-N 3.27Å; A618-Q620 PolarHBondContact O-N 2.73Å; A618-A621 PolarHBondContact O-N 2.77Å; A618-V622 WeakPolarHBondContact O-CB 3.34Å; A618-V622 WeakPolarHBondContact O-CG2 3.24Å; A618-V622 PolarHBondContact O-N 2.9Å; A618-M630 HydrophobicContact CB-CE 4.06Å; A618-M630 HydrophobicContact CB-CG 4.16Å; A618-M630 HydrophobicContact CB-SD 3.91Å |
| 619 | T | 71.6 | Confident | 72.2 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.043 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.4 | -26.1 | 178.9 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | Y615 E616 R617 R627 M630 F631 Y634 | Y615-T619 WeakPolarHBondContact O-CG2 3.21Å; Y615-T619 PolarHBondContact O-N 2.93Å; E616-T619 PolarHBondContact O-OG1 2.83Å; R617-T619 PolarHBondContact O-N 3.34Å; T619-R627 WeakPolarHBondContact O-CD 3.48Å; T619-R627 PolarHBondContact O-NE 2.93Å; T619-M630 HydrophobicContact CG2-CB 4.47Å; T619-M630 HydrophobicContact CG2-CG 3.76Å; T619-F631 HydrophobicContact CG2-CD1 3.79Å; T619-F631 HydrophobicContact CG2-CD2 4.07Å; T619-F631 HydrophobicContact CG2-CE1 3.77Å; T619-F631 HydrophobicContact CG2-CE2 4.07Å; T619-F631 HydrophobicContact CG2-CG 3.96Å; T619-F631 HydrophobicContact CG2-CZ 3.93Å; T619-Y634 HydrophobicContact CG2-CD1 4.02Å |
| 620 | Q | 73.8 | Confident | 72.1 | Confident | 128 Ų | 128 | 46.2 Ų | 46.2 | 60% | 0.598 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -80.6 | -39.8 | 175.7 | -64.6 | 177.5 | 7.3 | 0 | 0 | 112.5 | R617 A618 | R617-Q620 PolarHBondContact O-N 2.88Å; A618-Q620 VanDerWaalsContact C-N 3.27Å; A618-Q620 PolarHBondContact O-N 2.73Å |
| 621 | A | 67.8 | Low | 72.3 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 31% | 0.314 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -81.7 | -14.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A588 Y595 R617 A618 | A588-A621 WeakPolarHBondContact CA-O 3.43Å; A588-A621 VanDerWaalsContact CB-O 3.3Å; A588-A621 WeakPolarHBondContact CB-O 3.28Å; Y595-A621 HydrophobicContact CE2-CB 3.58Å; R617-A621 WeakPolarHBondContact O-CB 3.31Å; R617-A621 PolarHBondContact O-N 3.14Å; R617-A621 VanDerWaalsContact O-N 3.07Å; A618-A621 PolarHBondContact O-N 2.77Å |
| 622 | V | 67.9 | Low | 72.7 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -88.6 | 147.6 | -173.9 | 168 | 0 | 0 | 0 | 0 | 112.9 | K592 A618 E626 R627 M630 | K592-V622 HydrophobicContact CB-CG2 4.11Å; A618-V622 WeakPolarHBondContact O-CB 3.34Å; A618-V622 WeakPolarHBondContact O-CG2 3.24Å; A618-V622 PolarHBondContact O-N 2.9Å; V622-E626 HydrophobicContact CG1-CB 3.63Å; V622-R627 PolarHBondContact O-NE 3.41Å; V622-R627 PolarHBondContact O-NH2 2.82Å; V622-M630 HydrophobicContact CG2-CE 4.3Å |
| 623 | E | 65.1 | Low | 73.1 | Confident | 61 Ų | 61 | 45 Ų | 45 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | trans | -56.2 | 147.7 | 177.6 | -171.7 | 157.9 | -132 | 0 | 0 | 112.7 | A588 K589 E625 E626 R627 | A588-E623 HydrophobicContact CB-CB 4.44Å; K589-E623 WeakPolarHBondContact CE-OE1 3.31Å; K589-E623 WeakPolarHBondContact CG-OE2 3.42Å; K589-E623 IonicContact NZ-OE1 2.88Å; K589-E623 PolarHBondContact NZ-OE1 2.86Å; K589-E623 IonicContact NZ-OE2 3.57Å; K589-E623 PolarHBondContact NZ-OE2 3.19Å; E623-E625 VanDerWaalsContact C-N 3.33Å; E623-E625 PolarHBondContact O-N 3.31Å; E623-E626 PolarHBondContact O-N 3.44Å; E623-E626 VanDerWaalsContact O-N 3.16Å; E623-R627 WeakPolarHBondContact O-CB 3.12Å; E623-R627 PolarHBondContact O-N 2.98Å | ||
| 624 | T | 64.9 | Low | 73.1 | Confident | 71 Ų | 71 | 43.1 Ų | 43.1 | 44% | 0.436 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.9 | -34.2 | -165.7 | 40 | 0 | 0 | 0 | 0 | 115 | ||
| 625 | E | 65 | Low | 73.1 | Confident | 151 Ų | 151 | 43.7 Ų | 43.7 | 71% | 0.706 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -72.1 | -44.7 | 177 | -60.5 | -179.7 | 172.7 | 0 | 0 | 111.2 | E623 R627 | E623-E625 VanDerWaalsContact C-N 3.33Å; E623-E625 PolarHBondContact O-N 3.31Å; E625-R627 VanDerWaalsContact C-N 3.29Å; E625-R627 PolarHBondContact O-N 3.34Å |
| 626 | E | 65.4 | Low | 73.3 | Confident | 55 Ų | 55 | 50 Ų | 50 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -76 | -19.3 | -179 | -61.7 | -148.2 | 111.9 | 0 | 0 | 113.5 | K592 V622 E623 H628 H629 M630 | K592-E626 HydrophobicContact CD-CB 4.21Å; K592-E626 HydrophobicContact CD-CG 4.43Å; K592-E626 VanDerWaalsContact CD-OE1 3.31Å; K592-E626 WeakPolarHBondContact CD-OE1 3.4Å; K592-E626 WeakPolarHBondContact CD-OE2 3.47Å; K592-E626 IonicContact NZ-OE1 3.47Å; K592-E626 PolarHBondContact NZ-OE1 3Å; K592-E626 IonicContact NZ-OE2 2.68Å; V622-E626 HydrophobicContact CG1-CB 3.63Å; E623-E626 PolarHBondContact O-N 3.44Å; E623-E626 VanDerWaalsContact O-N 3.16Å; E626-H628 PolarHBondContact O-N 3.09Å; E626-H629 WeakPolarHBondContact O-CA 3.41Å; E626-H629 WeakPolarHBondContact O-CB 3.43Å; E626-H629 PolarHBondContact O-N 2.89Å; E626-M630 PolarHBondContact O-N 3.37Å; E626-M630 VanDerWaalsContact O-N 3.09Å |
| 627 | R | 69.7 | Low | 73.3 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.7 | -38 | 179.4 | -165.8 | 175.9 | -63 | 165.7 | -4.5 | 112.1 | T619 V622 E623 E625 H629 M630 F631 V657 | T619-R627 WeakPolarHBondContact O-CD 3.48Å; T619-R627 PolarHBondContact O-NE 2.93Å; V622-R627 PolarHBondContact O-NE 3.41Å; V622-R627 PolarHBondContact O-NH2 2.82Å; E623-R627 WeakPolarHBondContact O-CB 3.12Å; E623-R627 PolarHBondContact O-N 2.98Å; E625-R627 VanDerWaalsContact C-N 3.29Å; E625-R627 PolarHBondContact O-N 3.34Å; R627-H629 VanDerWaalsContact C-N 3.31Å; R627-H629 PolarHBondContact O-N 2.94Å; R627-M630 PolarHBondContact O-N 3.31Å; R627-F631 HydrophobicContact CG-CD2 3.78Å; R627-F631 HydrophobicContact CG-CE2 3.67Å; R627-F631 WeakPolarHBondContact O-CD2 3.49Å; R627-F631 PolarHBondContact O-N 3.06Å; R627-V657 PolarHBondContact NH1-O 3.09Å |
| 628 | H | 72.1 | Confident | 73.4 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 15% | 0.148 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -40.3 | 174 | 179.9 | 82.6 | 0 | 0 | 0 | 112.5 | E626 N632 L658 H662 D665 M666 | E626-H628 PolarHBondContact O-N 3.09Å; H628-N632 PolarHBondContact CD2-ND2 2.85Å; H628-N632 VanDerWaalsContact CD2-ND2 3.29Å; H628-N632 PolarHBondContact NE2-ND2 3.43Å; H628-N632 PolarHBondContact O-N 3.18Å; H628-N632 VanDerWaalsContact O-N 3.1Å; H628-N632 PolarHBondContact O-ND2 3.32Å; H628-L658 HydrophobicContact CB-CD2 3.75Å; H628-H662 HydrophobicContact CB-CB 4.11Å; H628-D665 IonicContact CE1-OD2 2.88Å; H628-D665 PolarHBondContact CE1-OD2 3.49Å; H628-D665 IonicContact NE2-OD2 3.01Å; H628-M666 WeakPolarHBondContact CE1-CE 3.36Å |
| 629 | H | 74.9 | Confident | 73.6 | Confident | 99 Ų | 99 | 49.1 Ų | 49.1 | 46% | 0.458 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.7 | -40 | 177.4 | -167.9 | 83.5 | 0 | 0 | 0 | 111.8 | E626 R627 N632 I633 | E626-H629 WeakPolarHBondContact O-CA 3.41Å; E626-H629 WeakPolarHBondContact O-CB 3.43Å; E626-H629 PolarHBondContact O-N 2.89Å; R627-H629 VanDerWaalsContact C-N 3.31Å; R627-H629 PolarHBondContact O-N 2.94Å; H629-N632 WeakPolarHBondContact O-CB 3.46Å; H629-N632 PolarHBondContact O-N 3.34Å; H629-I633 PolarHBondContact O-N 3.43Å; H629-I633 VanDerWaalsContact O-N 3.08Å |
| 630 | M | 73.8 | Confident | 74 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.1 | -174.1 | 59.8 | 69.9 | 0 | 0 | 112 | K592 L596 Y615 A618 T619 V622 E626 R627 N632 I633 Y634 | K592-M630 HydrophobicContact CB-CE 4.48Å; K592-M630 HydrophobicContact CG-CE 4.03Å; L596-M630 HydrophobicContact CD1-CE 4.5Å; L596-M630 HydrophobicContact CD2-CE 4.11Å; L596-M630 HydrophobicContact CD2-SD 4.17Å; L596-M630 HydrophobicContact CG-CE 3.98Å; Y615-M630 HydrophobicContact CD1-SD 4.4Å; A618-M630 HydrophobicContact CB-CE 4.06Å; A618-M630 HydrophobicContact CB-CG 4.16Å; A618-M630 HydrophobicContact CB-SD 3.91Å; T619-M630 HydrophobicContact CG2-CB 4.47Å; T619-M630 HydrophobicContact CG2-CG 3.76Å; V622-M630 HydrophobicContact CG2-CE 4.3Å; E626-M630 PolarHBondContact O-N 3.37Å; E626-M630 VanDerWaalsContact O-N 3.09Å; R627-M630 PolarHBondContact O-N 3.31Å; M630-N632 VanDerWaalsContact C-N 3.34Å; M630-N632 PolarHBondContact O-N 3.08Å; M630-I633 PolarHBondContact O-N 2.98Å; M630-Y634 WeakPolarHBondContact O-CB 3.28Å; M630-Y634 PolarHBondContact O-N 3.14Å |
| 631 | F | 77.1 | Confident | 74 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 174.3 | -85.4 | -73.1 | 0 | 0 | 0 | 112.5 | T619 R627 I633 Y634 I635 I650 A654 L658 | T619-F631 HydrophobicContact CG2-CD1 3.79Å; T619-F631 HydrophobicContact CG2-CD2 4.07Å; T619-F631 HydrophobicContact CG2-CE1 3.77Å; T619-F631 HydrophobicContact CG2-CE2 4.07Å; T619-F631 HydrophobicContact CG2-CG 3.96Å; T619-F631 HydrophobicContact CG2-CZ 3.93Å; R627-F631 HydrophobicContact CG-CD2 3.78Å; R627-F631 HydrophobicContact CG-CE2 3.67Å; R627-F631 WeakPolarHBondContact O-CD2 3.49Å; R627-F631 PolarHBondContact O-N 3.06Å; F631-I633 VanDerWaalsContact C-N 3.34Å; F631-I633 PolarHBondContact O-N 3.34Å; F631-Y634 HydrophobicContact CD1-CD1 4.44Å; F631-Y634 PolarHBondContact O-N 2.93Å; F631-I635 WeakPolarHBondContact O-CB 3.35Å; F631-I635 WeakPolarHBondContact O-CD1 3.49Å; F631-I635 WeakPolarHBondContact O-CG1 3.47Å; F631-I635 PolarHBondContact O-N 2.83Å; F631-I650 HydrophobicContact CD1-CG2 4.03Å; F631-I650 HydrophobicContact CE1-CG2 4.4Å; F631-A654 HydrophobicContact CD1-CB 3.67Å; F631-A654 HydrophobicContact CD2-CB 4.35Å; F631-A654 HydrophobicContact CE1-CB 3.81Å; F631-A654 HydrophobicContact CE2-CB 4.45Å; F631-A654 HydrophobicContact CG-CB 3.95Å; F631-A654 HydrophobicContact CZ-CB 4.19Å; F631-L658 HydrophobicContact CD2-CD1 3.38Å; F631-L658 HydrophobicContact CD2-CG 4.33Å; F631-L658 HydrophobicContact CE2-CD1 3.56Å; F631-L658 HydrophobicContact CG-CD1 4.08Å; F631-L658 HydrophobicContact CZ-CD1 4.39Å |
| 632 | N | 81 | Confident | 74.2 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 13% | 0.134 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 173.2 | -87.3 | -77.8 | 0 | 0 | 0 | 112.8 | H628 H629 M630 K636 M666 R669 | H628-N632 PolarHBondContact CD2-ND2 2.85Å; H628-N632 VanDerWaalsContact CD2-ND2 3.29Å; H628-N632 PolarHBondContact NE2-ND2 3.43Å; H628-N632 PolarHBondContact O-N 3.18Å; H628-N632 VanDerWaalsContact O-N 3.1Å; H628-N632 PolarHBondContact O-ND2 3.32Å; H629-N632 WeakPolarHBondContact O-CB 3.46Å; H629-N632 PolarHBondContact O-N 3.34Å; M630-N632 VanDerWaalsContact C-N 3.34Å; M630-N632 PolarHBondContact O-N 3.08Å; N632-K636 WeakPolarHBondContact O-CG 3.22Å; N632-K636 PolarHBondContact O-N 3.34Å; N632-M666 WeakPolarHBondContact ND2-CE 3.27Å; N632-R669 PolarHBondContact OD1-NH1 3.34Å |
| 633 | I | 81.4 | Confident | 74.6 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 20% | 0.195 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -48.8 | 176.3 | -67.2 | 172.3 | 0 | 0 | 0 | 109.9 | L596 Y615 H629 M630 F631 I635 K636 R637 | L596-I633 HydrophobicContact CD1-CD1 4.14Å; L596-I633 HydrophobicContact CD2-CD1 3.78Å; L596-I633 HydrophobicContact CD2-CG2 3.98Å; Y615-I633 HydrophobicContact CE1-CG2 4.04Å; H629-I633 PolarHBondContact O-N 3.43Å; H629-I633 VanDerWaalsContact O-N 3.08Å; M630-I633 PolarHBondContact O-N 2.98Å; F631-I633 VanDerWaalsContact C-N 3.34Å; F631-I633 PolarHBondContact O-N 3.34Å; I633-I635 VanDerWaalsContact C-N 3.34Å; I633-I635 PolarHBondContact O-N 3.27Å; I633-K636 PolarHBondContact O-N 2.89Å; I633-R637 HydrophobicContact CG2-CG 4.34Å; I633-R637 WeakPolarHBondContact O-CG 3.45Å; I633-R637 PolarHBondContact O-N 3.5Å |
| 634 | Y | 79.3 | Confident | 75 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | -179.7 | -177 | -151.8 | 0 | 0 | 0 | 112.2 | M612 Y615 T619 M630 F631 R637 A638 I650 | M612-Y634 HydrophobicContact CB-CE2 4.47Å; M612-Y634 HydrophobicContact SD-CD2 4.24Å; M612-Y634 HydrophobicContact SD-CE2 3.61Å; Y615-Y634 HydrophobicContact CD2-CD2 4.12Å; Y615-Y634 AromaticContact CG-CD2 3.82Å; Y615-Y634 HydrophobicContact CG-CD2 3.82Å; Y615-Y634 HydrophobicContact CG-CE2 4.38Å; Y615-Y634 HydrophobicContact CG-CG 4.45Å; T619-Y634 HydrophobicContact CG2-CD1 4.02Å; M630-Y634 WeakPolarHBondContact O-CB 3.28Å; M630-Y634 PolarHBondContact O-N 3.14Å; F631-Y634 HydrophobicContact CD1-CD1 4.44Å; F631-Y634 PolarHBondContact O-N 2.93Å; Y634-R637 PolarHBondContact O-N 3.4Å; Y634-A638 WeakPolarHBondContact O-CB 3.26Å; Y634-A638 PolarHBondContact O-N 2.9Å; Y634-I650 HydrophobicContact CD1-CB 4.39Å; Y634-I650 HydrophobicContact CD1-CD1 4.01Å; Y634-I650 HydrophobicContact CD1-CG1 4.18Å; Y634-I650 HydrophobicContact CD1-CG2 3.36Å; Y634-I650 HydrophobicContact CD2-CD1 4Å; Y634-I650 HydrophobicContact CE1-CB 4.22Å; Y634-I650 HydrophobicContact CE1-CD1 3.71Å; Y634-I650 HydrophobicContact CE1-CG1 3.64Å; Y634-I650 HydrophobicContact CE1-CG2 3.63Å; Y634-I650 HydrophobicContact CE2-CD1 3.7Å; Y634-I650 HydrophobicContact CE2-CG1 4.47Å; Y634-I650 HydrophobicContact CG-CD1 4.15Å; Y634-I650 HydrophobicContact CG-CG2 4.11Å |
| 635 | I | 79.8 | Confident | 75.4 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.077 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 176.4 | -70.4 | 161.8 | 0 | 0 | 0 | 111.4 | F631 I633 A639 I650 Y651 M666 | F631-I635 WeakPolarHBondContact O-CB 3.35Å; F631-I635 WeakPolarHBondContact O-CD1 3.49Å; F631-I635 WeakPolarHBondContact O-CG1 3.47Å; F631-I635 PolarHBondContact O-N 2.83Å; I633-I635 VanDerWaalsContact C-N 3.34Å; I633-I635 PolarHBondContact O-N 3.27Å; I635-A639 WeakPolarHBondContact O-CB 3.42Å; I635-A639 PolarHBondContact O-N 3.21Å; I635-I650 HydrophobicContact CD1-CG2 4.39Å; I635-I650 HydrophobicContact CG1-CB 4.34Å; I635-I650 HydrophobicContact CG1-CG2 3.59Å; I635-Y651 HydrophobicContact CD1-CD1 3.9Å; I635-Y651 HydrophobicContact CD1-CE1 3.64Å; I635-Y651 HydrophobicContact CD1-CE2 4.36Å; I635-Y651 HydrophobicContact CD1-CG 4.4Å; I635-Y651 HydrophobicContact CG1-CE2 4.5Å; I635-Y651 HydrophobicContact CG2-CE2 3.84Å; I635-M666 HydrophobicContact CD1-SD 3.64Å |
| 636 | K | 81.4 | Confident | 75.7 | Confident | 136 Ų | 136 | 54.8 Ų | 54.8 | 59% | 0.591 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.5 | -48.9 | 177 | -74.9 | 176.3 | 179.6 | -175.5 | 0 | 111.2 | N632 I633 A639 E640 | N632-K636 WeakPolarHBondContact O-CG 3.22Å; N632-K636 PolarHBondContact O-N 3.34Å; I633-K636 PolarHBondContact O-N 2.89Å; K636-A639 WeakPolarHBondContact O-CB 3.46Å; K636-A639 PolarHBondContact O-N 3.26Å; K636-E640 WeakPolarHBondContact O-CG 3.38Å; K636-E640 PolarHBondContact O-N 3.3Å |
| 637 | R | 76.5 | Confident | 76.2 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | -179.9 | -67.3 | -51.6 | -142.4 | -162.2 | 8.6 | 113.5 | E603 Y615 I633 Y634 A639 E640 I641 | E603-R637 VanDerWaalsContact CD-NE 3.34Å; E603-R637 WeakPolarHBondContact OE1-CD 3.49Å; E603-R637 VanDerWaalsContact OE1-CG 3.23Å; E603-R637 WeakPolarHBondContact OE1-CG 3.45Å; E603-R637 IonicContact OE1-CZ 3.4Å; E603-R637 IonicContact OE1-NE 3.87Å; E603-R637 PolarHBondContact OE1-NE 3.21Å; E603-R637 IonicContact OE2-CZ 2.7Å; E603-R637 VanDerWaalsContact OE2-CZ 3.25Å; E603-R637 IonicContact OE2-NE 2.82Å; E603-R637 PolarHBondContact OE2-NE 2.93Å; E603-R637 IonicContact OE2-NH2 2.74Å; E603-R637 PolarHBondContact OE2-NH2 3.46Å; Y615-R637 HydrophobicContact CE2-CB 4.05Å; Y615-R637 HydrophobicContact CE2-CG 4.18Å; I633-R637 HydrophobicContact CG2-CG 4.34Å; I633-R637 WeakPolarHBondContact O-CG 3.45Å; I633-R637 PolarHBondContact O-N 3.5Å; Y634-R637 PolarHBondContact O-N 3.4Å; R637-A639 VanDerWaalsContact C-N 3.33Å; R637-A639 PolarHBondContact O-N 2.91Å; R637-E640 WeakPolarHBondContact CD-OE2 3.46Å; R637-E640 IonicContact CZ-OE2 3.15Å; R637-E640 IonicContact NE-OE2 2.98Å; R637-E640 IonicContact NH1-OE1 3.84Å; R637-E640 IonicContact NH1-OE2 3.16Å; R637-E640 PolarHBondContact NH1-OE2 3.37Å; R637-E640 PolarHBondContact O-N 3.32Å; R637-I641 WeakPolarHBondContact O-CB 3.47Å; R637-I641 WeakPolarHBondContact O-CG1 3.28Å; R637-I641 PolarHBondContact O-N 2.82Å |
| 638 | A | 78.8 | Confident | 76.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M612 Y634 Y642 G643 Y646 T647 I650 | M612-A638 HydrophobicContact CE-CB 4.45Å; M612-A638 HydrophobicContact SD-CB 4.03Å; Y634-A638 WeakPolarHBondContact O-CB 3.26Å; Y634-A638 PolarHBondContact O-N 2.9Å; A638-Y642 PolarHBondContact O-N 3.35Å; A638-G643 PolarHBondContact O-N 2.89Å; A638-Y646 HydrophobicContact CB-CD1 4.23Å; A638-T647 HydrophobicContact CB-CG2 3.98Å; A638-I650 HydrophobicContact CB-CD1 3.2Å |
| 639 | A | 79.1 | Confident | 77.2 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 36% | 0.355 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I635 K636 R637 G643 T647 | I635-A639 WeakPolarHBondContact O-CB 3.42Å; I635-A639 PolarHBondContact O-N 3.21Å; K636-A639 WeakPolarHBondContact O-CB 3.46Å; K636-A639 PolarHBondContact O-N 3.26Å; R637-A639 VanDerWaalsContact C-N 3.33Å; R637-A639 PolarHBondContact O-N 2.91Å; A639-G643 VanDerWaalsContact O-CA 3.3Å; A639-G643 WeakPolarHBondContact O-CA 3.46Å; A639-G643 PolarHBondContact O-N 3.35Å; A639-T647 HydrophobicContact CB-CG2 3.91Å |
| 640 | E | 79.2 | Confident | 77.4 | Confident | 125 Ų | 125 | 49.1 Ų | 49.1 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67 | -39.9 | 177.4 | -73.3 | 167.4 | -177 | 0 | 0 | 112.6 | K636 R637 | K636-E640 WeakPolarHBondContact O-CG 3.38Å; K636-E640 PolarHBondContact O-N 3.3Å; R637-E640 WeakPolarHBondContact CD-OE2 3.46Å; R637-E640 IonicContact CZ-OE2 3.15Å; R637-E640 IonicContact NE-OE2 2.98Å; R637-E640 IonicContact NH1-OE1 3.84Å; R637-E640 IonicContact NH1-OE2 3.16Å; R637-E640 PolarHBondContact NH1-OE2 3.37Å; R637-E640 PolarHBondContact O-N 3.32Å |
| 641 | I | 74.8 | Confident | 77.7 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 35% | 0.349 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -94.7 | -42 | -169.3 | -65.6 | 168.8 | 0 | 0 | 0 | 113.3 | E603 A608 M612 R637 | E603-I641 HydrophobicContact CG-CD1 4.41Å; A608-I641 HydrophobicContact CB-CG2 3.71Å; M612-I641 HydrophobicContact CE-CB 3.84Å; M612-I641 HydrophobicContact CE-CD1 3.5Å; M612-I641 VanDerWaalsContact CE-CD1 3.5Å; M612-I641 HydrophobicContact CE-CG1 4.19Å; M612-I641 HydrophobicContact CE-CG2 4.07Å; R637-I641 WeakPolarHBondContact O-CB 3.47Å; R637-I641 WeakPolarHBondContact O-CG1 3.28Å; R637-I641 PolarHBondContact O-N 2.82Å |
| 642 | Y | 72.1 | Confident | 77.9 | Confident | 101 Ų | 101 | 55.4 Ų | 55.4 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -116.1 | -2.9 | -175.5 | -72.4 | -73.5 | 0 | 0 | 0 | 113.9 | A608 R609 M612 A638 Y646 | A608-Y642 HydrophobicContact CB-CE2 4.23Å; A608-Y642 WeakPolarHBondContact CB-OH 3.5Å; R609-Y642 PolarHBondContact N-OH 3.35Å; M612-Y642 HydrophobicContact CE-CD2 4.02Å; M612-Y642 HydrophobicContact CE-CE2 4.15Å; M612-Y642 HydrophobicContact CG-CD2 3.88Å; M612-Y642 HydrophobicContact CG-CE2 3.49Å; M612-Y642 VanDerWaalsContact CG-CE2 3.49Å; M612-Y642 HydrophobicContact SD-CD2 4.2Å; M612-Y642 HydrophobicContact SD-CE2 4.35Å; A638-Y642 PolarHBondContact O-N 3.35Å; Y642-Y646 HydrophobicContact CD2-CD1 4.46Å |
| 643 | G | 75.1 | Confident | 77.8 | Confident | 29 Ų | 29 | 58 Ų | 58 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | trans | 78.1 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | A638 A639 T645 Y646 | A638-G643 PolarHBondContact O-N 2.89Å; A639-G643 VanDerWaalsContact O-CA 3.3Å; A639-G643 WeakPolarHBondContact O-CA 3.46Å; A639-G643 PolarHBondContact O-N 3.35Å; G643-T645 PolarHBondContact O-N 3.24Å; G643-T645 VanDerWaalsContact O-N 3.14Å; G643-Y646 PolarHBondContact O-N 2.94Å | ||
| 644 | V | 73.1 | Confident | 77.5 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 39% | 0.394 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.3 | -168.2 | -159.1 | 0 | 0 | 0 | 0 | 113.5 | T647 M673 L677 | V644-T647 PolarHBondContact O-OG1 3.33Å; V644-M673 HydrophobicContact CG1-CG 3.46Å; V644-M673 VanDerWaalsContact CG1-CG 3.46Å; V644-M673 HydrophobicContact CG1-SD 3.63Å; V644-L677 HydrophobicContact CB-CD1 4.5Å; V644-L677 HydrophobicContact CB-CD2 4.27Å; V644-L677 HydrophobicContact CG1-CD1 4.01Å; V644-L677 HydrophobicContact CG1-CD2 4.23Å; V644-L677 HydrophobicContact CG1-CG 4.33Å |
| 645 | T | 73.4 | Confident | 77.4 | Confident | 97 Ų | 97 | 57.1 Ų | 57.1 | 60% | 0.595 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -33.1 | 178.5 | 51.4 | 0 | 0 | 0 | 0 | 113 | G643 R648 | G643-T645 PolarHBondContact O-N 3.24Å; G643-T645 VanDerWaalsContact O-N 3.14Å; T645-R648 WeakPolarHBondContact O-CG 3.44Å |
| 646 | Y | 72.3 | Confident | 77.3 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 36% | 0.357 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -28.5 | -179.5 | -168.6 | -103.7 | 0 | 0 | 0 | 112.5 | M612 A638 Y642 G643 R648 A649 I650 | M612-Y646 HydrophobicContact CG-CE1 4.46Å; M612-Y646 HydrophobicContact SD-CE1 4.39Å; A638-Y646 HydrophobicContact CB-CD1 4.23Å; Y642-Y646 HydrophobicContact CD2-CD1 4.46Å; G643-Y646 PolarHBondContact O-N 2.94Å; Y646-R648 PolarHBondContact O-N 2.84Å; Y646-A649 PolarHBondContact O-N 3.17Å; Y646-I650 HydrophobicContact CD1-CD1 4.12Å; Y646-I650 HydrophobicContact CE1-CD1 4.21Å |
| 647 | T | 75 | Confident | 77 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -22.1 | 178.9 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | A638 A639 V644 A649 I650 Y651 M673 | A638-T647 HydrophobicContact CB-CG2 3.98Å; A639-T647 HydrophobicContact CB-CG2 3.91Å; V644-T647 PolarHBondContact O-OG1 3.33Å; T647-A649 PolarHBondContact O-N 3.19Å; T647-I650 WeakPolarHBondContact O-CA 3.27Å; T647-I650 WeakPolarHBondContact O-CB 3.46Å; T647-I650 PolarHBondContact O-N 3.06Å; T647-Y651 VanDerWaalsContact O-CD2 3.26Å; T647-Y651 WeakPolarHBondContact O-CD2 3.29Å; T647-Y651 PolarHBondContact O-N 3.11Å; T647-M673 WeakPolarHBondContact OG1-CE 3.4Å |
| 648 | R | 81.6 | Confident | 76.8 | Confident | 54 Ų | 54 | 55.5 Ų | 55.5 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.2 | -49.4 | 173.7 | -63.9 | -178.3 | 157.9 | 167.3 | -3.4 | 112.9 | T645 Y646 I650 Y651 Q652 F670 M673 E674 E679 | T645-R648 WeakPolarHBondContact O-CG 3.44Å; Y646-R648 PolarHBondContact O-N 2.84Å; R648-I650 PolarHBondContact O-N 3.47Å; R648-Y651 PolarHBondContact O-N 3.22Å; R648-Q652 PolarHBondContact O-N 2.95Å; R648-Q652 VanDerWaalsContact O-N 3.07Å; R648-F670 HydrophobicContact CB-CE2 4.43Å; R648-F670 HydrophobicContact CG-CE2 4.4Å; R648-M673 HydrophobicContact CG-CE 4.26Å; R648-E674 WeakPolarHBondContact CD-OE1 3.4Å; R648-E674 WeakPolarHBondContact CG-OE1 3.32Å; R648-E674 IonicContact CZ-OE1 3.58Å; R648-E674 IonicContact CZ-OE2 2.68Å; R648-E674 IonicContact NE-OE1 3.71Å; R648-E674 PolarHBondContact NE-OE1 2.98Å; R648-E674 IonicContact NE-OE2 2.64Å; R648-E674 PolarHBondContact NE-OE2 3.13Å; R648-E674 IonicContact NH2-OE1 2.75Å; R648-E674 IonicContact NH2-OE2 3.44Å; R648-E674 PolarHBondContact NH2-OE2 3.33Å; R648-E679 IonicContact CZ-OE1 3.34Å; R648-E679 VanDerWaalsContact CZ-OE1 3.27Å; R648-E679 IonicContact NH1-OE1 2.64Å; R648-E679 PolarHBondContact NH1-OE1 3.01Å; R648-E679 IonicContact NH2-OE1 3.19Å; R648-E679 PolarHBondContact NH2-OE1 2.9Å; R648-E679 IonicContact NH2-OE2 3.99Å |
| 649 | A | 80.9 | Confident | 76.6 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 41% | 0.405 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.7 | -28.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y646 T647 K653 | Y646-A649 PolarHBondContact O-N 3.17Å; T647-A649 PolarHBondContact O-N 3.19Å; A649-K653 WeakPolarHBondContact O-CG 3.37Å; A649-K653 PolarHBondContact O-N 3.37Å |
| 650 | I | 79.2 | Confident | 76.1 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.8 | -43.5 | 177.3 | -56.4 | 175.3 | 0 | 0 | 0 | 110.4 | F631 Y634 I635 A638 Y646 T647 R648 K653 A654 | F631-I650 HydrophobicContact CD1-CG2 4.03Å; F631-I650 HydrophobicContact CE1-CG2 4.4Å; Y634-I650 HydrophobicContact CD1-CB 4.39Å; Y634-I650 HydrophobicContact CD1-CD1 4.01Å; Y634-I650 HydrophobicContact CD1-CG1 4.18Å; Y634-I650 HydrophobicContact CD1-CG2 3.36Å; Y634-I650 HydrophobicContact CD2-CD1 4Å; Y634-I650 HydrophobicContact CE1-CB 4.22Å; Y634-I650 HydrophobicContact CE1-CD1 3.71Å; Y634-I650 HydrophobicContact CE1-CG1 3.64Å; Y634-I650 HydrophobicContact CE1-CG2 3.63Å; Y634-I650 HydrophobicContact CE2-CD1 3.7Å; Y634-I650 HydrophobicContact CE2-CG1 4.47Å; Y634-I650 HydrophobicContact CG-CD1 4.15Å; Y634-I650 HydrophobicContact CG-CG2 4.11Å; I635-I650 HydrophobicContact CD1-CG2 4.39Å; I635-I650 HydrophobicContact CG1-CB 4.34Å; I635-I650 HydrophobicContact CG1-CG2 3.59Å; A638-I650 HydrophobicContact CB-CD1 3.2Å; Y646-I650 HydrophobicContact CD1-CD1 4.12Å; Y646-I650 HydrophobicContact CE1-CD1 4.21Å; T647-I650 WeakPolarHBondContact O-CA 3.27Å; T647-I650 WeakPolarHBondContact O-CB 3.46Å; T647-I650 PolarHBondContact O-N 3.06Å; R648-I650 PolarHBondContact O-N 3.47Å; I650-K653 PolarHBondContact O-N 2.96Å; I650-A654 WeakPolarHBondContact O-CB 3.47Å; I650-A654 PolarHBondContact O-N 2.96Å |
| 651 | Y | 80.6 | Confident | 75.6 | Confident | 21 Ų | 21 | 62 Ų | 62 | 8% | 0.082 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.3 | -42.8 | 174.2 | -81.6 | -71.6 | 0 | 0 | 0 | 111.8 | I635 T647 R648 A654 I655 M666 R669 F670 M673 | I635-Y651 HydrophobicContact CD1-CD1 3.9Å; I635-Y651 HydrophobicContact CD1-CE1 3.64Å; I635-Y651 HydrophobicContact CD1-CE2 4.36Å; I635-Y651 HydrophobicContact CD1-CG 4.4Å; I635-Y651 HydrophobicContact CG1-CE2 4.5Å; I635-Y651 HydrophobicContact CG2-CE2 3.84Å; T647-Y651 VanDerWaalsContact O-CD2 3.26Å; T647-Y651 WeakPolarHBondContact O-CD2 3.29Å; T647-Y651 PolarHBondContact O-N 3.11Å; R648-Y651 PolarHBondContact O-N 3.22Å; Y651-A654 WeakPolarHBondContact O-CB 3.34Å; Y651-A654 PolarHBondContact O-N 3.22Å; Y651-I655 WeakPolarHBondContact O-CD1 3.14Å; Y651-I655 WeakPolarHBondContact O-CG1 3.5Å; Y651-I655 PolarHBondContact O-N 3.15Å; Y651-M666 HydrophobicContact CD1-SD 4.43Å; Y651-M666 WeakPolarHBondContact CE1-O 3.35Å; Y651-M666 HydrophobicContact CE1-SD 4.25Å; Y651-R669 HydrophobicContact CE1-CB 4.05Å; Y651-F670 HydrophobicContact CD1-CB 3.64Å; Y651-F670 HydrophobicContact CD1-CD2 4.45Å; Y651-F670 HydrophobicContact CD1-CG 4.17Å; Y651-F670 HydrophobicContact CD2-CB 4.36Å; Y651-F670 AromaticContact CD2-CD2 3.73Å; Y651-F670 HydrophobicContact CD2-CD2 3.73Å; Y651-F670 HydrophobicContact CD2-CE2 4.41Å; Y651-F670 HydrophobicContact CD2-CG 4.27Å; Y651-F670 HydrophobicContact CE1-CB 4.1Å; Y651-F670 HydrophobicContact CG-CB 3.76Å; Y651-F670 AromaticContact CG-CD2 3.69Å; Y651-F670 HydrophobicContact CG-CD2 3.69Å; Y651-F670 HydrophobicContact CG-CE2 4.46Å; Y651-F670 AromaticContact CG-CG 3.78Å; Y651-F670 HydrophobicContact CG-CG 3.78Å; Y651-M673 HydrophobicContact CD2-CE 3.44Å; Y651-M673 VanDerWaalsContact CD2-CE 3.44Å; Y651-M673 HydrophobicContact CE2-CE 3.47Å; Y651-M673 VanDerWaalsContact CE2-CE 3.47Å |
| 652 | Q | 81.9 | Confident | 75.4 | Confident | 115 Ų | 115 | 61.7 Ų | 61.7 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.5 | -50.3 | 174.9 | -174.2 | -177.2 | -19.5 | 0 | 0 | 111.9 | R648 A654 I655 E656 | R648-Q652 PolarHBondContact O-N 2.95Å; R648-Q652 VanDerWaalsContact O-N 3.07Å; Q652-A654 PolarHBondContact O-N 3.42Å; Q652-I655 PolarHBondContact O-N 3.37Å; Q652-I655 VanDerWaalsContact O-N 3.13Å; Q652-E656 WeakPolarHBondContact CG-OE1 3.37Å; Q652-E656 PolarHBondContact NE2-OE1 2.81Å; Q652-E656 PolarHBondContact O-N 2.85Å; Q652-E656 VanDerWaalsContact O-N 3.16Å |
| 653 | K | 77.6 | Confident | 75.5 | Confident | 80 Ų | 80 | 57 Ų | 57 | 35% | 0.348 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.8 | -30.6 | 176.6 | -72.7 | 177.9 | -177.5 | -177.5 | 0 | 113.1 | E616 A649 I650 V657 | E616-K653 IonicContact OE1-NZ 2.77Å; E616-K653 PolarHBondContact OE1-NZ 2.89Å; E616-K653 IonicContact OE2-NZ 3.18Å; E616-K653 PolarHBondContact OE2-NZ 3.43Å; E616-K653 VanDerWaalsContact OE2-NZ 3.09Å; A649-K653 WeakPolarHBondContact O-CG 3.37Å; A649-K653 PolarHBondContact O-N 3.37Å; I650-K653 PolarHBondContact O-N 2.96Å; K653-V657 WeakPolarHBondContact O-CB 3.48Å; K653-V657 WeakPolarHBondContact O-CG2 3.44Å; K653-V657 PolarHBondContact O-N 2.89Å |
| 654 | A | 76.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.9 | -49 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F631 I650 Y651 Q652 E656 V657 L658 M666 | F631-A654 HydrophobicContact CD1-CB 3.67Å; F631-A654 HydrophobicContact CD2-CB 4.35Å; F631-A654 HydrophobicContact CE1-CB 3.81Å; F631-A654 HydrophobicContact CE2-CB 4.45Å; F631-A654 HydrophobicContact CG-CB 3.95Å; F631-A654 HydrophobicContact CZ-CB 4.19Å; I650-A654 WeakPolarHBondContact O-CB 3.47Å; I650-A654 PolarHBondContact O-N 2.96Å; Y651-A654 WeakPolarHBondContact O-CB 3.34Å; Y651-A654 PolarHBondContact O-N 3.22Å; Q652-A654 PolarHBondContact O-N 3.42Å; A654-E656 VanDerWaalsContact C-N 3.25Å; A654-E656 PolarHBondContact O-N 3.06Å; A654-V657 PolarHBondContact O-N 2.82Å; A654-L658 VanDerWaalsContact C-CD1 3.47Å; A654-L658 VanDerWaalsContact CA-CD1 3.49Å; A654-L658 HydrophobicContact CB-CD1 3.6Å; A654-L658 WeakPolarHBondContact O-CD1 3.27Å; A654-L658 PolarHBondContact O-N 3.16Å; A654-M666 HydrophobicContact CB-CG 4.34Å; A654-M666 HydrophobicContact CB-SD 4.47Å |
| 655 | I | 77.1 | Confident | 75.6 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.7 | -34.9 | -178 | -65.6 | 167.1 | 0 | 0 | 0 | 112.2 | Y651 Q652 V657 C667 F670 Y689 | Y651-I655 WeakPolarHBondContact O-CD1 3.14Å; Y651-I655 WeakPolarHBondContact O-CG1 3.5Å; Y651-I655 PolarHBondContact O-N 3.15Å; Q652-I655 PolarHBondContact O-N 3.37Å; Q652-I655 VanDerWaalsContact O-N 3.13Å; I655-V657 VanDerWaalsContact C-N 3.34Å; I655-V657 PolarHBondContact O-N 3.13Å; I655-C667 HydrophobicContact CD1-CB 4.43Å; I655-C667 WeakPolarHBondContact CD1-SG 3.39Å; I655-C667 WeakPolarHBondContact CG1-SG 3.3Å; I655-F670 HydrophobicContact CD1-CD1 3.87Å; I655-F670 HydrophobicContact CD1-CE1 4.41Å; I655-Y689 HydrophobicContact CG2-CD1 4.12Å; I655-Y689 HydrophobicContact CG2-CE1 3.28Å |
| 656 | E | 77.7 | Confident | 75.8 | Confident | 127 Ų | 127 | 52.7 Ų | 52.7 | 59% | 0.593 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -74.3 | -18.1 | 177.7 | -68.5 | 168.8 | -168.6 | 0 | 0 | 114.2 | Q652 A654 | Q652-E656 WeakPolarHBondContact CG-OE1 3.37Å; Q652-E656 PolarHBondContact NE2-OE1 2.81Å; Q652-E656 PolarHBondContact O-N 2.85Å; Q652-E656 VanDerWaalsContact O-N 3.16Å; A654-E656 VanDerWaalsContact C-N 3.25Å; A654-E656 PolarHBondContact O-N 3.06Å |
| 657 | V | 74.6 | Confident | 76.1 | Confident | 59 Ų | 59 | 48.4 Ų | 48.4 | 36% | 0.358 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -126 | -12.8 | -164.2 | -175.9 | 0 | 0 | 0 | 0 | 114 | R627 K653 A654 I655 | R627-V657 PolarHBondContact NH1-O 3.09Å; K653-V657 WeakPolarHBondContact O-CB 3.48Å; K653-V657 WeakPolarHBondContact O-CG2 3.44Å; K653-V657 PolarHBondContact O-N 2.89Å; A654-V657 PolarHBondContact O-N 2.82Å; I655-V657 VanDerWaalsContact C-N 3.34Å; I655-V657 PolarHBondContact O-N 3.13Å |
| 658 | L | 73 | Confident | 76.4 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -91.6 | 151.2 | 174.6 | -81 | 96.7 | 0 | 0 | 0 | 113 | H628 F631 A654 H662 A663 M666 | H628-L658 HydrophobicContact CB-CD2 3.75Å; F631-L658 HydrophobicContact CD2-CD1 3.38Å; F631-L658 HydrophobicContact CD2-CG 4.33Å; F631-L658 HydrophobicContact CE2-CD1 3.56Å; F631-L658 HydrophobicContact CG-CD1 4.08Å; F631-L658 HydrophobicContact CZ-CD1 4.39Å; A654-L658 VanDerWaalsContact C-CD1 3.47Å; A654-L658 VanDerWaalsContact CA-CD1 3.49Å; A654-L658 HydrophobicContact CB-CD1 3.6Å; A654-L658 WeakPolarHBondContact O-CD1 3.27Å; A654-L658 PolarHBondContact O-N 3.16Å; L658-H662 HydrophobicContact CB-CB 4.37Å; L658-H662 HydrophobicContact CD2-CB 3.4Å; L658-H662 VanDerWaalsContact CD2-CB 3.4Å; L658-H662 HydrophobicContact CG-CB 4.47Å; L658-A663 HydrophobicContact CB-CB 4.36Å; L658-M666 HydrophobicContact CD2-CG 4.23Å |
| 659 | P | 73.7 | Confident | 76.4 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | trans | -61.4 | 150.5 | 166.1 | -20.4 | 32.8 | 0 | 0 | 0 | 113.1 | E661 H662 A663 | P659-E661 VanDerWaalsContact C-N 3.29Å; P659-E661 PolarHBondContact O-N 2.86Å; P659-H662 PolarHBondContact O-N 2.96Å; P659-A663 PolarHBondContact O-N 3.02Å | ||
| 660 | D | 68.5 | Low | 76.3 | Confident | 105 Ų | 105 | 50.6 Ų | 50.6 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -44.1 | -42.1 | -173.7 | -64.7 | 4.2 | 0 | 0 | 0 | 115.5 | R664 I693 | D660-R664 PolarHBondContact O-N 2.71Å; D660-R664 VanDerWaalsContact O-N 3.17Å; D660-I693 HydrophobicContact CB-CG2 3.63Å |
| 661 | E | 69.3 | Low | 76.4 | Confident | 142 Ų | 142 | 50.5 Ų | 50.5 | 66% | 0.664 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67.7 | -39.5 | 179.3 | -61 | -162.8 | 146 | 0 | 0 | 113.2 | P659 R664 | P659-E661 VanDerWaalsContact C-N 3.29Å; P659-E661 PolarHBondContact O-N 2.86Å; E661-R664 WeakPolarHBondContact O-CB 3.41Å |
| 662 | H | 70.1 | Confident | 76.4 | Confident | 63 Ų | 63 | 52.8 Ų | 52.8 | 29% | 0.292 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -86.5 | -27.7 | -179.4 | -63.2 | -49.6 | 0 | 0 | 0 | 112.4 | H628 L658 P659 R664 M666 | H628-H662 HydrophobicContact CB-CB 4.11Å; L658-H662 HydrophobicContact CB-CB 4.37Å; L658-H662 HydrophobicContact CD2-CB 3.4Å; L658-H662 VanDerWaalsContact CD2-CB 3.4Å; L658-H662 HydrophobicContact CG-CB 4.47Å; P659-H662 PolarHBondContact O-N 2.96Å; H662-R664 VanDerWaalsContact C-N 3.27Å; H662-M666 WeakPolarHBondContact O-CG 3.35Å; H662-M666 PolarHBondContact O-N 3.27Å |
| 663 | A | 73.7 | Confident | 76.4 | Confident | 2 Ų | 2 | 48.1 Ų | 48.1 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L658 P659 D665 M666 C667 | L658-A663 HydrophobicContact CB-CB 4.36Å; P659-A663 PolarHBondContact O-N 3.02Å; A663-D665 PolarHBondContact O-N 3.23Å; A663-M666 WeakPolarHBondContact O-CB 3.39Å; A663-M666 PolarHBondContact O-N 3.38Å; A663-C667 PolarHBondContact O-N 3.42Å; A663-C667 PolarHBondContact O-SG 2.83Å |
| 664 | R | 73 | Confident | 76.5 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 18% | 0.177 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -54.8 | -50.3 | 177.1 | -174 | -178.5 | -60 | 137.9 | -0.8 | 114 | D660 E661 H662 C667 M668 I693 C694 | D660-R664 PolarHBondContact O-N 2.71Å; D660-R664 VanDerWaalsContact O-N 3.17Å; E661-R664 WeakPolarHBondContact O-CB 3.41Å; H662-R664 VanDerWaalsContact C-N 3.27Å; R664-C667 PolarHBondContact O-N 2.93Å; R664-M668 WeakPolarHBondContact O-CG 3.22Å; R664-M668 PolarHBondContact O-N 2.94Å; R664-I693 PolarHBondContact NH2-O 3.44Å; R664-C694 VanDerWaalsContact CD-SG 3.58Å; R664-C694 VanDerWaalsContact CG-SG 3.59Å; R664-C694 PolarHBondContact NE-SG 3.36Å |
| 665 | D | 77.4 | Confident | 76.7 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.9 | -36.7 | 177.9 | 175.7 | 51.6 | 0 | 0 | 0 | 111.8 | H628 A663 M668 R669 | H628-D665 IonicContact CE1-OD2 2.88Å; H628-D665 PolarHBondContact CE1-OD2 3.49Å; H628-D665 IonicContact NE2-OD2 3.01Å; A663-D665 PolarHBondContact O-N 3.23Å; D665-M668 PolarHBondContact O-N 3.33Å; D665-R669 VanDerWaalsContact CG-NE 3.33Å; D665-R669 WeakPolarHBondContact O-CG 3.16Å; D665-R669 PolarHBondContact O-N 3.24Å; D665-R669 VanDerWaalsContact O-N 3.08Å; D665-R669 IonicContact OD1-CZ 3.91Å; D665-R669 IonicContact OD1-NE 3.97Å; D665-R669 PolarHBondContact OD1-NE 2.81Å; D665-R669 IonicContact OD1-NH2 2.93Å; D665-R669 PolarHBondContact OD1-NH2 2.97Å; D665-R669 IonicContact OD2-CZ 2.71Å; D665-R669 IonicContact OD2-NE 2.93Å; D665-R669 PolarHBondContact OD2-NE 2.98Å; D665-R669 VanDerWaalsContact OD2-NE 3.09Å; D665-R669 IonicContact OD2-NH2 3.47Å; D665-R669 PolarHBondContact OD2-NH2 3.13Å |
| 666 | M | 78.2 | Confident | 76.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 173 | -74.3 | -68.4 | 129.6 | 0 | 0 | 112.1 | H628 N632 I635 Y651 A654 L658 H662 A663 M668 R669 F670 | H628-M666 WeakPolarHBondContact CE1-CE 3.36Å; N632-M666 WeakPolarHBondContact ND2-CE 3.27Å; I635-M666 HydrophobicContact CD1-SD 3.64Å; Y651-M666 HydrophobicContact CD1-SD 4.43Å; Y651-M666 WeakPolarHBondContact CE1-O 3.35Å; Y651-M666 HydrophobicContact CE1-SD 4.25Å; A654-M666 HydrophobicContact CB-CG 4.34Å; A654-M666 HydrophobicContact CB-SD 4.47Å; L658-M666 HydrophobicContact CD2-CG 4.23Å; H662-M666 WeakPolarHBondContact O-CG 3.35Å; H662-M666 PolarHBondContact O-N 3.27Å; A663-M666 WeakPolarHBondContact O-CB 3.39Å; A663-M666 PolarHBondContact O-N 3.38Å; M666-M668 PolarHBondContact O-N 3.06Å; M666-R669 PolarHBondContact O-N 2.97Å; M666-F670 WeakPolarHBondContact O-CB 3.32Å; M666-F670 PolarHBondContact O-N 3.03Å |
| 667 | C | 78.5 | Confident | 76.6 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | I655 A663 R664 F670 A671 I686 C690 | I655-C667 HydrophobicContact CD1-CB 4.43Å; I655-C667 WeakPolarHBondContact CD1-SG 3.39Å; I655-C667 WeakPolarHBondContact CG1-SG 3.3Å; A663-C667 PolarHBondContact O-N 3.42Å; A663-C667 PolarHBondContact O-SG 2.83Å; R664-C667 PolarHBondContact O-N 2.93Å; C667-F670 PolarHBondContact O-N 3.06Å; C667-A671 WeakPolarHBondContact O-CB 3.34Å; C667-A671 PolarHBondContact O-N 3.39Å; C667-I686 HydrophobicContact CB-CG2 4.01Å; C667-I686 WeakPolarHBondContact O-CG2 3.43Å; C667-C690 WeakPolarHBondContact CB-SG 3.47Å |
| 668 | M | 81.4 | Confident | 76.6 | Confident | 28 Ų | 28 | 49.9 Ų | 49.9 | 14% | 0.138 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 175.3 | -80.9 | -59.6 | -61.1 | 0 | 0 | 111.7 | R664 D665 M666 F670 A671 D672 Y687 F702 T705 | R664-M668 WeakPolarHBondContact O-CG 3.22Å; R664-M668 PolarHBondContact O-N 2.94Å; D665-M668 PolarHBondContact O-N 3.33Å; M666-M668 PolarHBondContact O-N 3.06Å; M668-F670 VanDerWaalsContact C-N 3.31Å; M668-F670 PolarHBondContact O-N 2.89Å; M668-A671 PolarHBondContact O-N 3.45Å; M668-D672 PolarHBondContact O-N 2.93Å; M668-Y687 HydrophobicContact CE-CE1 4.17Å; M668-Y687 HydrophobicContact SD-CD1 4.36Å; M668-Y687 HydrophobicContact SD-CE1 3.73Å; M668-F702 HydrophobicContact CG-CD2 4.12Å; M668-F702 HydrophobicContact SD-CD2 3.41Å; M668-F702 WeakPolarHBondContact SD-CD2 3.46Å; M668-F702 HydrophobicContact SD-CE2 3.63Å; M668-T705 HydrophobicContact CE-CG2 4.24Å; M668-T705 WeakPolarHBondContact CE-OG1 3.5Å |
| 669 | R | 80.9 | Confident | 77 | Confident | 98 Ų | 98 | 52.2 Ų | 52.2 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.6 | -32.1 | 176.7 | -64.1 | 175.2 | -166.1 | -158.1 | 8.5 | 112.5 | N632 Y651 D665 M666 M673 | N632-R669 PolarHBondContact OD1-NH1 3.34Å; Y651-R669 HydrophobicContact CE1-CB 4.05Å; D665-R669 VanDerWaalsContact CG-NE 3.33Å; D665-R669 WeakPolarHBondContact O-CG 3.16Å; D665-R669 PolarHBondContact O-N 3.24Å; D665-R669 VanDerWaalsContact O-N 3.08Å; D665-R669 IonicContact OD1-CZ 3.91Å; D665-R669 IonicContact OD1-NE 3.97Å; D665-R669 PolarHBondContact OD1-NE 2.81Å; D665-R669 IonicContact OD1-NH2 2.93Å; D665-R669 PolarHBondContact OD1-NH2 2.97Å; D665-R669 IonicContact OD2-CZ 2.71Å; D665-R669 IonicContact OD2-NE 2.93Å; D665-R669 PolarHBondContact OD2-NE 2.98Å; D665-R669 VanDerWaalsContact OD2-NE 3.09Å; D665-R669 IonicContact OD2-NH2 3.47Å; D665-R669 PolarHBondContact OD2-NH2 3.13Å; M666-R669 PolarHBondContact O-N 2.97Å; R669-M673 VanDerWaalsContact O-CB 3.31Å; R669-M673 WeakPolarHBondContact O-CB 3.35Å; R669-M673 PolarHBondContact O-N 3.31Å |
| 670 | F | 80.5 | Confident | 77.2 | Confident | 26 Ų | 26 | 52 Ų | 52 | 11% | 0.114 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.9 | -47 | 173.5 | -172.8 | -151.2 | 0 | 0 | 0 | 111.4 | R648 Y651 I655 M666 C667 M668 M673 E674 I686 | R648-F670 HydrophobicContact CB-CE2 4.43Å; R648-F670 HydrophobicContact CG-CE2 4.4Å; Y651-F670 HydrophobicContact CD1-CB 3.64Å; Y651-F670 HydrophobicContact CD1-CD2 4.45Å; Y651-F670 HydrophobicContact CD1-CG 4.17Å; Y651-F670 HydrophobicContact CD2-CB 4.36Å; Y651-F670 AromaticContact CD2-CD2 3.73Å; Y651-F670 HydrophobicContact CD2-CD2 3.73Å; Y651-F670 HydrophobicContact CD2-CE2 4.41Å; Y651-F670 HydrophobicContact CD2-CG 4.27Å; Y651-F670 HydrophobicContact CE1-CB 4.1Å; Y651-F670 HydrophobicContact CG-CB 3.76Å; Y651-F670 AromaticContact CG-CD2 3.69Å; Y651-F670 HydrophobicContact CG-CD2 3.69Å; Y651-F670 HydrophobicContact CG-CE2 4.46Å; Y651-F670 AromaticContact CG-CG 3.78Å; Y651-F670 HydrophobicContact CG-CG 3.78Å; I655-F670 HydrophobicContact CD1-CD1 3.87Å; I655-F670 HydrophobicContact CD1-CE1 4.41Å; M666-F670 WeakPolarHBondContact O-CB 3.32Å; M666-F670 PolarHBondContact O-N 3.03Å; C667-F670 PolarHBondContact O-N 3.06Å; M668-F670 VanDerWaalsContact C-N 3.31Å; M668-F670 PolarHBondContact O-N 2.89Å; F670-M673 HydrophobicContact CD2-CE 3.65Å; F670-M673 HydrophobicContact CE2-CE 3.91Å; F670-M673 PolarHBondContact O-N 3.32Å; F670-E674 HydrophobicContact CD2-CG 4.08Å; F670-E674 HydrophobicContact CE2-CG 3.8Å; F670-E674 WeakPolarHBondContact CE2-OE1 3.41Å; F670-E674 HydrophobicContact CZ-CG 4.41Å; F670-E674 PolarHBondContact O-N 2.77Å; F670-I686 HydrophobicContact CD1-CD1 3.37Å; F670-I686 HydrophobicContact CD1-CG1 3.71Å; F670-I686 HydrophobicContact CD1-CG2 4.14Å; F670-I686 HydrophobicContact CD2-CD1 4.22Å; F670-I686 HydrophobicContact CE1-CD1 3.44Å; F670-I686 VanDerWaalsContact CE1-CD1 3.44Å; F670-I686 HydrophobicContact CE1-CG1 3.76Å; F670-I686 HydrophobicContact CE2-CD1 4.27Å; F670-I686 HydrophobicContact CG-CD1 3.78Å; F670-I686 HydrophobicContact CZ-CD1 3.91Å |
| 671 | A | 80.2 | Confident | 77.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C667 M668 M673 E674 C675 I686 Y687 | C667-A671 WeakPolarHBondContact O-CB 3.34Å; C667-A671 PolarHBondContact O-N 3.39Å; M668-A671 PolarHBondContact O-N 3.45Å; A671-M673 PolarHBondContact O-N 2.96Å; A671-E674 PolarHBondContact O-N 3.4Å; A671-C675 WeakPolarHBondContact O-CB 3.46Å; A671-C675 PolarHBondContact O-N 2.9Å; A671-C675 PolarHBondContact O-SG 3.4Å; A671-I686 HydrophobicContact CB-CB 4.33Å; A671-I686 HydrophobicContact CB-CG2 3.97Å; A671-Y687 HydrophobicContact CB-CD1 4.46Å; A671-Y687 HydrophobicContact CB-CD2 4.25Å; A671-Y687 HydrophobicContact CB-CE1 4Å; A671-Y687 HydrophobicContact CB-CE2 3.77Å |
| 672 | D | 81.4 | Confident | 78.1 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.4 | -32.6 | 175.1 | -85.2 | -11.4 | 0 | 0 | 0 | 113.1 | M668 K676 | M668-D672 PolarHBondContact O-N 2.93Å; D672-K676 WeakPolarHBondContact O-CD 3.27Å; D672-K676 VanDerWaalsContact O-CG 3.27Å; D672-K676 WeakPolarHBondContact O-CG 3.36Å; D672-K676 PolarHBondContact O-N 3.03Å |
| 673 | M | 80.5 | Confident | 78.5 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.5 | -45.1 | 176.9 | 178.2 | -93.8 | -78.8 | 0 | 0 | 111.6 | V644 T647 R648 Y651 R669 F670 A671 C675 K676 L677 | V644-M673 HydrophobicContact CG1-CG 3.46Å; V644-M673 VanDerWaalsContact CG1-CG 3.46Å; V644-M673 HydrophobicContact CG1-SD 3.63Å; T647-M673 WeakPolarHBondContact OG1-CE 3.4Å; R648-M673 HydrophobicContact CG-CE 4.26Å; Y651-M673 HydrophobicContact CD2-CE 3.44Å; Y651-M673 VanDerWaalsContact CD2-CE 3.44Å; Y651-M673 HydrophobicContact CE2-CE 3.47Å; Y651-M673 VanDerWaalsContact CE2-CE 3.47Å; R669-M673 VanDerWaalsContact O-CB 3.31Å; R669-M673 WeakPolarHBondContact O-CB 3.35Å; R669-M673 PolarHBondContact O-N 3.31Å; F670-M673 HydrophobicContact CD2-CE 3.65Å; F670-M673 HydrophobicContact CE2-CE 3.91Å; F670-M673 PolarHBondContact O-N 3.32Å; A671-M673 PolarHBondContact O-N 2.96Å; M673-C675 VanDerWaalsContact C-N 3.31Å; M673-C675 PolarHBondContact O-N 3.04Å; M673-K676 WeakPolarHBondContact O-CB 3.14Å; M673-K676 PolarHBondContact O-N 3.23Å; M673-K676 VanDerWaalsContact O-N 3.08Å; M673-L677 PolarHBondContact O-N 2.91Å; M673-L677 HydrophobicContact SD-CD1 3.59Å; M673-L677 VanDerWaalsContact SD-CD1 3.59Å; M673-L677 HydrophobicContact SD-CG 4.34Å |
| 674 | E | 80.3 | Confident | 78.9 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -33.4 | 175.5 | -67.1 | -64.7 | 179.9 | 0 | 0 | 112.4 | R648 F670 A671 K676 L677 G678 E679 A683 I686 | R648-E674 WeakPolarHBondContact CD-OE1 3.4Å; R648-E674 WeakPolarHBondContact CG-OE1 3.32Å; R648-E674 IonicContact CZ-OE1 3.58Å; R648-E674 IonicContact CZ-OE2 2.68Å; R648-E674 IonicContact NE-OE1 3.71Å; R648-E674 PolarHBondContact NE-OE1 2.98Å; R648-E674 IonicContact NE-OE2 2.64Å; R648-E674 PolarHBondContact NE-OE2 3.13Å; R648-E674 IonicContact NH2-OE1 2.75Å; R648-E674 IonicContact NH2-OE2 3.44Å; R648-E674 PolarHBondContact NH2-OE2 3.33Å; F670-E674 HydrophobicContact CD2-CG 4.08Å; F670-E674 HydrophobicContact CE2-CG 3.8Å; F670-E674 WeakPolarHBondContact CE2-OE1 3.41Å; F670-E674 HydrophobicContact CZ-CG 4.41Å; F670-E674 PolarHBondContact O-N 2.77Å; A671-E674 PolarHBondContact O-N 3.4Å; E674-K676 VanDerWaalsContact C-N 3.33Å; E674-K676 PolarHBondContact O-N 3.37Å; E674-L677 CarbonylContact O-C 3.53Å; E674-L677 PolarHBondContact O-N 3.41Å; E674-G678 PolarHBondContact O-N 3.39Å; E674-E679 PolarHBondContact O-N 3.48Å; E674-A683 HydrophobicContact CB-CB 4.39Å; E674-I686 HydrophobicContact CB-CD1 4.47Å; E674-I686 HydrophobicContact CG-CD1 3.94Å |
| 675 | C | 80.1 | Confident | 79.4 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.7 | -43.3 | 168.6 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | A671 M673 L677 G678 A683 F709 | A671-C675 WeakPolarHBondContact O-CB 3.46Å; A671-C675 PolarHBondContact O-N 2.9Å; A671-C675 PolarHBondContact O-SG 3.4Å; M673-C675 VanDerWaalsContact C-N 3.31Å; M673-C675 PolarHBondContact O-N 3.04Å; C675-L677 VanDerWaalsContact C-N 3.32Å; C675-G678 PolarHBondContact O-N 3.4Å; C675-A683 VanDerWaalsContact SG-CB 3.58Å; C675-F709 WeakPolarHBondContact SG-CD2 3.26Å; C675-F709 WeakPolarHBondContact SG-CE2 3.44Å |
| 676 | K | 77.9 | Confident | 79.5 | Confident | 174 Ų | 174 | 50.5 Ų | 50.5 | 76% | 0.757 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -70.8 | -26.4 | 177.7 | -71.4 | 163.3 | -172.5 | 165.8 | 0 | 112.9 | D672 M673 E674 G678 | D672-K676 WeakPolarHBondContact O-CD 3.27Å; D672-K676 VanDerWaalsContact O-CG 3.27Å; D672-K676 WeakPolarHBondContact O-CG 3.36Å; D672-K676 PolarHBondContact O-N 3.03Å; M673-K676 WeakPolarHBondContact O-CB 3.14Å; M673-K676 PolarHBondContact O-N 3.23Å; M673-K676 VanDerWaalsContact O-N 3.08Å; E674-K676 VanDerWaalsContact C-N 3.33Å; E674-K676 PolarHBondContact O-N 3.37Å; K676-G678 VanDerWaalsContact C-N 3.33Å |
| 677 | L | 76.2 | Confident | 79.7 | Confident | 71 Ų | 71 | 50.5 Ų | 50.5 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -82.7 | -8.6 | 171.8 | -64.7 | 179.2 | 0 | 0 | 0 | 113.3 | V644 M673 E674 C675 | V644-L677 HydrophobicContact CB-CD1 4.5Å; V644-L677 HydrophobicContact CB-CD2 4.27Å; V644-L677 HydrophobicContact CG1-CD1 4.01Å; V644-L677 HydrophobicContact CG1-CD2 4.23Å; V644-L677 HydrophobicContact CG1-CG 4.33Å; M673-L677 PolarHBondContact O-N 2.91Å; M673-L677 HydrophobicContact SD-CD1 3.59Å; M673-L677 VanDerWaalsContact SD-CD1 3.59Å; M673-L677 HydrophobicContact SD-CG 4.34Å; E674-L677 CarbonylContact O-C 3.53Å; E674-L677 PolarHBondContact O-N 3.41Å; C675-L677 VanDerWaalsContact C-N 3.32Å |
| 678 | G | 73.2 | Confident | 79.8 | Confident | 51 Ų | 51 | 52.6 Ų | 52.6 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 5.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E674 C675 K676 I680 | E674-G678 PolarHBondContact O-N 3.39Å; C675-G678 PolarHBondContact O-N 3.4Å; K676-G678 VanDerWaalsContact C-N 3.33Å; G678-I680 VanDerWaalsContact C-N 3.3Å; G678-I680 PolarHBondContact O-N 3.47Å |
| 679 | E | 80.9 | Confident | 79.7 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | trans | -88.2 | 65.8 | -179.3 | -66.9 | -164.3 | -144.6 | 0 | 0 | 111.9 | R648 E674 D681 R682 A683 | R648-E679 IonicContact CZ-OE1 3.34Å; R648-E679 VanDerWaalsContact CZ-OE1 3.27Å; R648-E679 IonicContact NH1-OE1 2.64Å; R648-E679 PolarHBondContact NH1-OE1 3.01Å; R648-E679 IonicContact NH2-OE1 3.19Å; R648-E679 PolarHBondContact NH2-OE1 2.9Å; R648-E679 IonicContact NH2-OE2 3.99Å; E674-E679 PolarHBondContact O-N 3.48Å; E679-D681 VanDerWaalsContact C-N 3.28Å; E679-D681 PolarHBondContact O-N 2.9Å; E679-R682 HydrophobicContact CB-CB 4.36Å; E679-R682 PolarHBondContact O-N 3.49Å; E679-R682 IonicContact OE1-NH1 3.09Å; E679-R682 PolarHBondContact OE1-NH1 3.47Å; E679-R682 WeakPolarHBondContact OE2-CD 3.29Å; E679-R682 IonicContact OE2-CZ 2.68Å; E679-R682 IonicContact OE2-NE 2.62Å; E679-R682 PolarHBondContact OE2-NE 2.94Å; E679-R682 IonicContact OE2-NH1 2.96Å; E679-R682 PolarHBondContact OE2-NH1 3.47Å; E679-R682 IonicContact OE2-NH2 2.81Å; E679-A683 PolarHBondContact O-N 2.9Å; E679-A683 VanDerWaalsContact O-N 3.11Å | ||
| 680 | I | 79.5 | Confident | 79.4 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 26% | 0.256 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.1 | -39.2 | -172.8 | -54 | 174.8 | 0 | 0 | 0 | 112.3 | G678 R682 A683 R684 F709 H713 | G678-I680 VanDerWaalsContact C-N 3.3Å; G678-I680 PolarHBondContact O-N 3.47Å; I680-R682 VanDerWaalsContact C-N 3.34Å; I680-R682 PolarHBondContact O-N 3.04Å; I680-A683 WeakPolarHBondContact O-CB 3.25Å; I680-A683 PolarHBondContact O-N 3.25Å; I680-R684 VanDerWaalsContact CG2-NH1 3.34Å; I680-R684 WeakPolarHBondContact O-CG 3.33Å; I680-R684 PolarHBondContact O-N 2.93Å; I680-F709 HydrophobicContact CG2-CE2 4.04Å; I680-F709 HydrophobicContact CG2-CZ 3.59Å; I680-H713 HydrophobicContact CD1-CB 4.23Å; I680-H713 HydrophobicContact CG2-CB 3.8Å |
| 681 | D | 77.9 | Confident | 79 | Confident | 117 Ų | 117 | 50.5 Ų | 50.5 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -72.6 | -25.2 | -178.6 | -61.8 | -37.9 | 0 | 0 | 0 | 113.4 | E679 R684 A685 | E679-D681 VanDerWaalsContact C-N 3.28Å; E679-D681 PolarHBondContact O-N 2.9Å; D681-R684 IonicContact OD1-CZ 2.69Å; D681-R684 IonicContact OD1-NH1 3.16Å; D681-R684 PolarHBondContact OD1-NH1 3.49Å; D681-A685 PolarHBondContact O-N 3.47Å; D681-A685 VanDerWaalsContact O-N 3.13Å |
| 682 | R | 77.9 | Confident | 78.8 | Confident | 133 Ų | 133 | 56.6 Ų | 56.6 | 50% | 0.502 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -75.2 | -41 | 168.6 | -67.9 | -164.3 | -178 | 147.6 | 0.4 | 111.2 | E679 I680 R684 A685 I686 | E679-R682 HydrophobicContact CB-CB 4.36Å; E679-R682 PolarHBondContact O-N 3.49Å; E679-R682 IonicContact OE1-NH1 3.09Å; E679-R682 PolarHBondContact OE1-NH1 3.47Å; E679-R682 WeakPolarHBondContact OE2-CD 3.29Å; E679-R682 IonicContact OE2-CZ 2.68Å; E679-R682 IonicContact OE2-NE 2.62Å; E679-R682 PolarHBondContact OE2-NE 2.94Å; E679-R682 IonicContact OE2-NH1 2.96Å; E679-R682 PolarHBondContact OE2-NH1 3.47Å; E679-R682 IonicContact OE2-NH2 2.81Å; I680-R682 VanDerWaalsContact C-N 3.34Å; I680-R682 PolarHBondContact O-N 3.04Å; R682-R684 VanDerWaalsContact C-N 3.27Å; R682-R684 PolarHBondContact O-N 3.32Å; R682-A685 WeakPolarHBondContact O-CB 3.48Å; R682-A685 PolarHBondContact O-N 3.48Å; R682-A685 VanDerWaalsContact O-N 3.1Å; R682-I686 WeakPolarHBondContact O-CD1 3.4Å; R682-I686 VanDerWaalsContact O-CG1 3.27Å; R682-I686 WeakPolarHBondContact O-CG1 3.47Å; R682-I686 PolarHBondContact O-N 3.31Å |
| 683 | A | 78.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.4 | -41.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E674 C675 E679 I680 I686 Y687 F709 | E674-A683 HydrophobicContact CB-CB 4.39Å; C675-A683 VanDerWaalsContact SG-CB 3.58Å; E679-A683 PolarHBondContact O-N 2.9Å; E679-A683 VanDerWaalsContact O-N 3.11Å; I680-A683 WeakPolarHBondContact O-CB 3.25Å; I680-A683 PolarHBondContact O-N 3.25Å; A683-I686 PolarHBondContact O-N 3.36Å; A683-Y687 WeakPolarHBondContact O-CD2 3.4Å; A683-Y687 PolarHBondContact O-N 2.72Å; A683-F709 HydrophobicContact CB-CE2 4Å; A683-F709 HydrophobicContact CB-CZ 3.84Å |
| 684 | R | 81.6 | Confident | 77.4 | Confident | 54 Ų | 54 | 53.8 Ų | 53.8 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 171.4 | -74.9 | 174.3 | 175.8 | 122.1 | 9.2 | 113.4 | I680 D681 R682 I686 Y687 S688 F709 E710 H713 | I680-R684 VanDerWaalsContact CG2-NH1 3.34Å; I680-R684 WeakPolarHBondContact O-CG 3.33Å; I680-R684 PolarHBondContact O-N 2.93Å; D681-R684 IonicContact OD1-CZ 2.69Å; D681-R684 IonicContact OD1-NH1 3.16Å; D681-R684 PolarHBondContact OD1-NH1 3.49Å; R682-R684 VanDerWaalsContact C-N 3.27Å; R682-R684 PolarHBondContact O-N 3.32Å; R684-I686 VanDerWaalsContact C-N 3.28Å; R684-I686 PolarHBondContact O-N 3.36Å; R684-Y687 PolarHBondContact O-N 3.44Å; R684-S688 WeakPolarHBondContact O-CB 3.27Å; R684-S688 PolarHBondContact O-N 2.88Å; R684-F709 HydrophobicContact CG-CE1 3.67Å; R684-F709 HydrophobicContact CG-CZ 4.02Å; R684-E710 IonicContact NE-OE1 4Å; R684-E710 IonicContact NE-OE2 2.79Å; R684-E710 IonicContact NH2-OE2 3.81Å; R684-H713 PolarHBondContact NH2-O 2.94Å |
| 685 | A | 82.8 | Confident | 76.7 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | D681 R682 S688 Y689 | D681-A685 PolarHBondContact O-N 3.47Å; D681-A685 VanDerWaalsContact O-N 3.13Å; R682-A685 WeakPolarHBondContact O-CB 3.48Å; R682-A685 PolarHBondContact O-N 3.48Å; R682-A685 VanDerWaalsContact O-N 3.1Å; A685-S688 PolarHBondContact O-N 2.83Å; A685-Y689 WeakPolarHBondContact O-CB 3.32Å; A685-Y689 PolarHBondContact O-N 3.43Å |
| 686 | I | 81.6 | Confident | 76.1 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -49.3 | 175.3 | -62.1 | 156.7 | 0 | 0 | 0 | 110.5 | C667 F670 A671 E674 R682 A683 R684 S688 Y689 C690 | C667-I686 HydrophobicContact CB-CG2 4.01Å; C667-I686 WeakPolarHBondContact O-CG2 3.43Å; F670-I686 HydrophobicContact CD1-CD1 3.37Å; F670-I686 HydrophobicContact CD1-CG1 3.71Å; F670-I686 HydrophobicContact CD1-CG2 4.14Å; F670-I686 HydrophobicContact CD2-CD1 4.22Å; F670-I686 HydrophobicContact CE1-CD1 3.44Å; F670-I686 VanDerWaalsContact CE1-CD1 3.44Å; F670-I686 HydrophobicContact CE1-CG1 3.76Å; F670-I686 HydrophobicContact CE2-CD1 4.27Å; F670-I686 HydrophobicContact CG-CD1 3.78Å; F670-I686 HydrophobicContact CZ-CD1 3.91Å; A671-I686 HydrophobicContact CB-CB 4.33Å; A671-I686 HydrophobicContact CB-CG2 3.97Å; E674-I686 HydrophobicContact CB-CD1 4.47Å; E674-I686 HydrophobicContact CG-CD1 3.94Å; R682-I686 WeakPolarHBondContact O-CD1 3.4Å; R682-I686 VanDerWaalsContact O-CG1 3.27Å; R682-I686 WeakPolarHBondContact O-CG1 3.47Å; R682-I686 PolarHBondContact O-N 3.31Å; A683-I686 PolarHBondContact O-N 3.36Å; R684-I686 VanDerWaalsContact C-N 3.28Å; R684-I686 PolarHBondContact O-N 3.36Å; I686-S688 VanDerWaalsContact C-N 3.3Å; I686-S688 PolarHBondContact O-N 2.83Å; I686-Y689 WeakPolarHBondContact O-CB 3.21Å; I686-Y689 PolarHBondContact O-N 3.1Å; I686-Y689 VanDerWaalsContact O-N 3.14Å; I686-C690 PolarHBondContact O-N 3.47Å; I686-C690 PolarHBondContact O-SG 2.8Å |
| 687 | Y | 81.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.6 | -37.3 | 176.1 | -74.6 | -62.3 | 0 | 0 | 0 | 112.9 | M668 A671 A683 R684 C690 S691 F702 W706 F709 | M668-Y687 HydrophobicContact CE-CE1 4.17Å; M668-Y687 HydrophobicContact SD-CD1 4.36Å; M668-Y687 HydrophobicContact SD-CE1 3.73Å; A671-Y687 HydrophobicContact CB-CD1 4.46Å; A671-Y687 HydrophobicContact CB-CD2 4.25Å; A671-Y687 HydrophobicContact CB-CE1 4Å; A671-Y687 HydrophobicContact CB-CE2 3.77Å; A683-Y687 WeakPolarHBondContact O-CD2 3.4Å; A683-Y687 PolarHBondContact O-N 2.72Å; R684-Y687 PolarHBondContact O-N 3.44Å; Y687-C690 WeakPolarHBondContact O-CB 3.34Å; Y687-C690 PolarHBondContact O-N 3.49Å; Y687-S691 PolarHBondContact O-N 2.87Å; Y687-F702 AromaticContact CD1-CE2 3.96Å; Y687-F702 HydrophobicContact CD1-CE2 3.96Å; Y687-F702 HydrophobicContact CD1-CZ 4.15Å; Y687-W706 HydrophobicContact CD1-CB 3.92Å; Y687-W706 AromaticContact CD1-CG 3.96Å; Y687-W706 HydrophobicContact CD1-CG 3.96Å; Y687-W706 AromaticContact CD2-CD1 3.8Å; Y687-W706 HydrophobicContact CD2-CG 4.46Å; Y687-W706 HydrophobicContact CE1-CB 4.25Å; Y687-W706 HydrophobicContact CG-CB 4.33Å; Y687-W706 AromaticContact CG-CD1 3.6Å; Y687-W706 HydrophobicContact CG-CD2 4.37Å; Y687-W706 AromaticContact CG-CG 3.88Å; Y687-W706 HydrophobicContact CG-CG 3.88Å; Y687-F709 AromaticContact CD2-CD1 3.73Å; Y687-F709 HydrophobicContact CD2-CD1 3.73Å; Y687-F709 AromaticContact CD2-CE1 3.9Å; Y687-F709 HydrophobicContact CD2-CE1 3.9Å; Y687-F709 HydrophobicContact CD2-CG 4.18Å; Y687-F709 HydrophobicContact CD2-CZ 4.5Å; Y687-F709 HydrophobicContact CE2-CB 3.98Å; Y687-F709 AromaticContact CE2-CD1 3.59Å; Y687-F709 HydrophobicContact CE2-CD1 3.59Å; Y687-F709 AromaticContact CE2-CD2 3.94Å; Y687-F709 HydrophobicContact CE2-CD2 3.94Å; Y687-F709 AromaticContact CE2-CE1 3.99Å; Y687-F709 HydrophobicContact CE2-CE1 3.99Å; Y687-F709 HydrophobicContact CE2-CE2 4.33Å; Y687-F709 AromaticContact CE2-CG 3.54Å; Y687-F709 HydrophobicContact CE2-CG 3.54Å; Y687-F709 HydrophobicContact CE2-CZ 4.34Å |
| 688 | S | 80.3 | Confident | 74.8 | Confident | 45 Ų | 45 | 58.4 Ų | 58.4 | 32% | 0.315 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 173.4 | -174 | 0 | 0 | 0 | 0 | 111.6 | R684 A685 I686 S691 | R684-S688 WeakPolarHBondContact O-CB 3.27Å; R684-S688 PolarHBondContact O-N 2.88Å; A685-S688 PolarHBondContact O-N 2.83Å; I686-S688 VanDerWaalsContact C-N 3.3Å; I686-S688 PolarHBondContact O-N 2.83Å; S688-S691 WeakPolarHBondContact O-CB 3.22Å; S688-S691 PolarHBondContact O-N 3.23Å; S688-S691 PolarHBondContact O-OG 2.77Å |
| 689 | Y | 79.9 | Confident | 74.2 | Confident | 103 Ų | 103 | 57 Ų | 57 | 40% | 0.404 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.6 | -47.2 | 174.2 | -177.7 | -92 | 0 | 0 | 0 | 112.1 | I655 A685 I686 S691 Q692 I693 | I655-Y689 HydrophobicContact CG2-CD1 4.12Å; I655-Y689 HydrophobicContact CG2-CE1 3.28Å; A685-Y689 WeakPolarHBondContact O-CB 3.32Å; A685-Y689 PolarHBondContact O-N 3.43Å; I686-Y689 WeakPolarHBondContact O-CB 3.21Å; I686-Y689 PolarHBondContact O-N 3.1Å; I686-Y689 VanDerWaalsContact O-N 3.14Å; Y689-S691 PolarHBondContact O-N 3.4Å; Y689-Q692 WeakPolarHBondContact O-CB 3.33Å; Y689-Q692 PolarHBondContact O-N 2.92Å; Y689-Q692 VanDerWaalsContact O-N 3.12Å; Y689-I693 HydrophobicContact CD1-CD1 4.14Å; Y689-I693 HydrophobicContact CE1-CD1 3.49Å; Y689-I693 VanDerWaalsContact CE1-CD1 3.49Å |
| 690 | C | 74.4 | Confident | 73.7 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -52.6 | -39.9 | 173.3 | -63.8 | 0 | 0 | 0 | 0 | 112.6 | C667 I686 Y687 Q692 I693 C694 F702 | C667-C690 WeakPolarHBondContact CB-SG 3.47Å; I686-C690 PolarHBondContact O-N 3.47Å; I686-C690 PolarHBondContact O-SG 2.8Å; Y687-C690 WeakPolarHBondContact O-CB 3.34Å; Y687-C690 PolarHBondContact O-N 3.49Å; C690-Q692 PolarHBondContact O-N 2.9Å; C690-Q692 VanDerWaalsContact O-N 3.13Å; C690-I693 CarbonylContact O-C 3.53Å; C690-I693 WeakPolarHBondContact O-CA 3.45Å; C690-I693 PolarHBondContact O-N 3.36Å; C690-C694 WeakPolarHBondContact O-CB 3.18Å; C690-C694 PolarHBondContact O-N 2.92Å; C690-C694 PolarHBondContact O-SG 3.33Å; C690-F702 HydrophobicContact CB-CD2 4.41Å; C690-F702 HydrophobicContact CB-CE1 4.33Å; C690-F702 HydrophobicContact CB-CE2 3.32Å; C690-F702 HydrophobicContact CB-CZ 3.29Å |
| 691 | S | 72.6 | Confident | 73.6 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61 | -24.5 | -175.9 | 80.5 | 0 | 0 | 0 | 0 | 113.2 | Y687 S688 Y689 I693 I725 V729 | Y687-S691 PolarHBondContact O-N 2.87Å; S688-S691 WeakPolarHBondContact O-CB 3.22Å; S688-S691 PolarHBondContact O-N 3.23Å; S688-S691 PolarHBondContact O-OG 2.77Å; Y689-S691 PolarHBondContact O-N 3.4Å; S691-I693 VanDerWaalsContact C-N 3.26Å; S691-I693 PolarHBondContact O-N 2.94Å; S691-I725 VanDerWaalsContact OG-CG2 3.25Å; S691-I725 WeakPolarHBondContact OG-CG2 3.35Å; S691-V729 VanDerWaalsContact O-CG1 3.31Å; S691-V729 WeakPolarHBondContact O-CG1 3.23Å; S691-V729 WeakPolarHBondContact O-CG2 3.21Å |
| 692 | Q | 74.6 | Confident | 73.6 | Confident | 129 Ų | 129 | 54.3 Ų | 54.3 | 60% | 0.603 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -14.7 | 175.6 | -56.8 | -178.8 | 2.1 | 0 | 0 | 113.2 | Y689 C690 Y733 | Y689-Q692 WeakPolarHBondContact O-CB 3.33Å; Y689-Q692 PolarHBondContact O-N 2.92Å; Y689-Q692 VanDerWaalsContact O-N 3.12Å; C690-Q692 PolarHBondContact O-N 2.9Å; C690-Q692 VanDerWaalsContact O-N 3.13Å; Q692-Y733 PolarHBondContact O-OH 3.41Å; Q692-Y733 VanDerWaalsContact O-OH 3.09Å |
| 693 | I | 69.3 | Low | 73.6 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | -7.6 | -175.6 | -51.6 | 171.3 | 0 | 0 | 0 | 110.6 | D660 R664 Y689 C690 S691 | D660-I693 HydrophobicContact CB-CG2 3.63Å; R664-I693 PolarHBondContact NH2-O 3.44Å; Y689-I693 HydrophobicContact CD1-CD1 4.14Å; Y689-I693 HydrophobicContact CE1-CD1 3.49Å; Y689-I693 VanDerWaalsContact CE1-CD1 3.49Å; C690-I693 CarbonylContact O-C 3.53Å; C690-I693 WeakPolarHBondContact O-CA 3.45Å; C690-I693 PolarHBondContact O-N 3.36Å; S691-I693 VanDerWaalsContact C-N 3.26Å; S691-I693 PolarHBondContact O-N 2.94Å |
| 694 | C | 63.4 | Low | 73.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -107.8 | 97.4 | -170.9 | -75.2 | 0 | 0 | 0 | 0 | 113.6 | R664 C690 P696 F702 | R664-C694 VanDerWaalsContact CD-SG 3.58Å; R664-C694 VanDerWaalsContact CG-SG 3.59Å; R664-C694 PolarHBondContact NE-SG 3.36Å; C690-C694 WeakPolarHBondContact O-CB 3.18Å; C690-C694 PolarHBondContact O-N 2.92Å; C690-C694 PolarHBondContact O-SG 3.33Å; C694-P696 VanDerWaalsContact O-CD 3.22Å; C694-P696 WeakPolarHBondContact O-CD 3.39Å; C694-F702 HydrophobicContact CB-CD1 3.67Å; C694-F702 HydrophobicContact CB-CE1 3.94Å; C694-F702 HydrophobicContact CB-CG 4.15Å | ||
| 695 | D | 66.7 | Low | 73.7 | Confident | 53 Ų | 53 | 52.9 Ų | 52.9 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | trans | -53 | 114.8 | 171.3 | -102.5 | -51.8 | 0 | 0 | 0 | 113.1 | R697 V698 T699 | D695-R697 PolarHBondContact O-N 3.24Å; D695-V698 HydrophobicContact CB-CB 4.29Å; D695-V698 HydrophobicContact CB-CG2 4.31Å; D695-V698 PolarHBondContact O-N 3.22Å; D695-T699 PolarHBondContact O-N 2.86Å; D695-T699 VanDerWaalsContact O-N 3.08Å; D695-T699 PolarHBondContact O-OG1 3.08Å; D695-T699 VanDerWaalsContact O-OG1 3.04Å | ||
| 696 | P | 67.6 | Low | 73.6 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.1 | -175.3 | -24.6 | 35.9 | 0 | 0 | 0 | 115.8 | C694 W703 V729 Q730 | C694-P696 VanDerWaalsContact O-CD 3.22Å; C694-P696 WeakPolarHBondContact O-CD 3.39Å; P696-W703 HydrophobicContact CG-CZ2 3.97Å; P696-V729 HydrophobicContact CG-CB 4.42Å; P696-V729 HydrophobicContact CG-CG1 3.84Å; P696-Q730 HydrophobicContact CB-CB 4.43Å; P696-Q730 HydrophobicContact CG-CB 4.11Å |
| 697 | R | 62.7 | Low | 73.6 | Confident | 187 Ų | 187 | 55 Ų | 55 | 71% | 0.706 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -40.2 | 176.5 | -62.4 | -173.2 | -173 | -154.6 | 4.7 | 112.9 | D695 N734 | D695-R697 PolarHBondContact O-N 3.24Å; R697-N734 PolarHBondContact NH2-OD1 3.39Å |
| 698 | V | 63.6 | Low | 73.6 | Confident | 117 Ų | 117 | 59.8 Ų | 59.8 | 71% | 0.709 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -36.5 | -176.2 | -177 | 0 | 0 | 0 | 0 | 111 | D695 | D695-V698 HydrophobicContact CB-CB 4.29Å; D695-V698 HydrophobicContact CB-CG2 4.31Å; D695-V698 PolarHBondContact O-N 3.22Å |
| 699 | T | 60.8 | Low | 73.6 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | trans | -112 | 61.7 | -172.3 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | D695 N701 F702 | D695-T699 PolarHBondContact O-N 2.86Å; D695-T699 VanDerWaalsContact O-N 3.08Å; D695-T699 PolarHBondContact O-OG1 3.08Å; D695-T699 VanDerWaalsContact O-OG1 3.04Å; T699-N701 PolarHBondContact O-N 3.2Å; T699-F702 PolarHBondContact O-N 3.32Å | ||
| 700 | A | 71.2 | Confident | 73.7 | Confident | 45 Ų | 45 | 53.2 Ų | 53.2 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.9 | -38.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F702 W703 Q704 | A700-F702 VanDerWaalsContact C-N 3.34Å; A700-F702 PolarHBondContact O-N 2.67Å; A700-W703 PolarHBondContact O-N 3.34Å; A700-Q704 WeakPolarHBondContact O-CG 3.36Å; A700-Q704 PolarHBondContact O-N 2.86Å |
| 701 | N | 75.9 | Confident | 73.9 | Confident | 118 Ų | 118 | 58.1 Ų | 58.1 | 63% | 0.631 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.8 | -34.3 | -177.2 | -57.7 | 5 | 0 | 0 | 0 | 112.9 | T699 Q704 T705 | T699-N701 PolarHBondContact O-N 3.2Å; N701-Q704 PolarHBondContact O-N 3.3Å; N701-T705 PolarHBondContact O-N 3.36Å; N701-T705 PolarHBondContact O-OG1 3.21Å |
| 702 | F | 77.8 | Confident | 74.1 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 4% | 0.044 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.1 | -46.7 | 173.9 | 171.4 | -95.3 | 0 | 0 | 0 | 111 | M668 Y687 C690 C694 T699 A700 Q704 T705 W706 | M668-F702 HydrophobicContact CG-CD2 4.12Å; M668-F702 HydrophobicContact SD-CD2 3.41Å; M668-F702 WeakPolarHBondContact SD-CD2 3.46Å; M668-F702 HydrophobicContact SD-CE2 3.63Å; Y687-F702 AromaticContact CD1-CE2 3.96Å; Y687-F702 HydrophobicContact CD1-CE2 3.96Å; Y687-F702 HydrophobicContact CD1-CZ 4.15Å; C690-F702 HydrophobicContact CB-CD2 4.41Å; C690-F702 HydrophobicContact CB-CE1 4.33Å; C690-F702 HydrophobicContact CB-CE2 3.32Å; C690-F702 HydrophobicContact CB-CZ 3.29Å; C694-F702 HydrophobicContact CB-CD1 3.67Å; C694-F702 HydrophobicContact CB-CE1 3.94Å; C694-F702 HydrophobicContact CB-CG 4.15Å; T699-F702 PolarHBondContact O-N 3.32Å; A700-F702 VanDerWaalsContact C-N 3.34Å; A700-F702 PolarHBondContact O-N 2.67Å; F702-Q704 VanDerWaalsContact C-N 3.3Å; F702-Q704 PolarHBondContact O-N 3.22Å; F702-T705 PolarHBondContact O-N 3.2Å; F702-T705 PolarHBondContact O-OG1 3.01Å; F702-W706 AromaticContact CE1-CE3 3.98Å; F702-W706 HydrophobicContact CE1-CE3 3.98Å; F702-W706 HydrophobicContact CZ-CE3 4.2Å; F702-W706 PolarHBondContact O-N 2.91Å |
| 703 | W | 78.9 | Confident | 74 | Confident | 5 Ų | 5 | 63 Ų | 63 | 2% | 0.019 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.6 | -23.9 | 179.6 | -67.3 | 99.5 | 0 | 0 | 0 | 113.2 | P696 A700 W706 K707 M722 I725 K726 V729 | P696-W703 HydrophobicContact CG-CZ2 3.97Å; A700-W703 PolarHBondContact O-N 3.34Å; W703-W706 AromaticContact CE3-CE3 3.83Å; W703-W706 HydrophobicContact CE3-CE3 3.83Å; W703-W706 HydrophobicContact CE3-CZ3 4.11Å; W703-W706 HydrophobicContact CH2-CE3 4.29Å; W703-W706 AromaticContact CH2-CZ3 3.82Å; W703-W706 HydrophobicContact CH2-CZ3 3.82Å; W703-W706 AromaticContact CZ3-CE3 3.55Å; W703-W706 HydrophobicContact CZ3-CE3 3.55Å; W703-W706 HydrophobicContact CZ3-CH2 4.47Å; W703-W706 AromaticContact CZ3-CZ3 3.33Å; W703-W706 HydrophobicContact CZ3-CZ3 3.33Å; W703-K707 VanDerWaalsContact O-CB 3.23Å; W703-K707 WeakPolarHBondContact O-CB 3.36Å; W703-K707 PolarHBondContact O-N 3.15Å; W703-M722 HydrophobicContact CE3-SD 4.28Å; W703-M722 HydrophobicContact CZ3-SD 4.48Å; W703-I725 HydrophobicContact CH2-CG2 4.41Å; W703-K726 HydrophobicContact CB-CD 4.47Å; W703-K726 HydrophobicContact CD2-CB 4.49Å; W703-K726 HydrophobicContact CD2-CD 3.84Å; W703-K726 HydrophobicContact CD2-CG 3.88Å; W703-K726 HydrophobicContact CE3-CB 3.8Å; W703-K726 HydrophobicContact CE3-CD 3.65Å; W703-K726 HydrophobicContact CE3-CG 3.66Å; W703-K726 HydrophobicContact CG-CD 4.2Å; W703-K726 VanDerWaalsContact CH2-CA 3.45Å; W703-K726 HydrophobicContact CH2-CB 3.79Å; W703-K726 HydrophobicContact CH2-CG 3.99Å; W703-K726 HydrophobicContact CZ2-CB 4.49Å; W703-K726 HydrophobicContact CZ2-CG 4.22Å; W703-K726 HydrophobicContact CZ3-CB 3.39Å; W703-K726 HydrophobicContact CZ3-CD 4.19Å; W703-K726 HydrophobicContact CZ3-CG 3.71Å; W703-V729 HydrophobicContact CZ2-CG1 4.36Å |
| 704 | Q | 80.8 | Confident | 74.3 | Confident | 107 Ų | 107 | 62.9 Ų | 62.9 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73 | -50.2 | 171.1 | -73.1 | 170.6 | -8 | 0 | 0 | 111.2 | A700 N701 F702 W706 K707 E708 | A700-Q704 WeakPolarHBondContact O-CG 3.36Å; A700-Q704 PolarHBondContact O-N 2.86Å; N701-Q704 PolarHBondContact O-N 3.3Å; F702-Q704 VanDerWaalsContact C-N 3.3Å; F702-Q704 PolarHBondContact O-N 3.22Å; Q704-W706 PolarHBondContact O-N 3.47Å; Q704-K707 WeakPolarHBondContact O-CB 3.34Å; Q704-K707 PolarHBondContact O-N 2.96Å; Q704-K707 VanDerWaalsContact O-N 3.14Å; Q704-E708 WeakPolarHBondContact O-CG 3.4Å; Q704-E708 PolarHBondContact O-N 3.46Å |
| 705 | T | 80.9 | Confident | 74.6 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 179.5 | 45 | 0 | 0 | 0 | 0 | 112.9 | M668 N701 F702 E708 F709 | M668-T705 HydrophobicContact CE-CG2 4.24Å; M668-T705 WeakPolarHBondContact CE-OG1 3.5Å; N701-T705 PolarHBondContact O-N 3.36Å; N701-T705 PolarHBondContact O-OG1 3.21Å; F702-T705 PolarHBondContact O-N 3.2Å; F702-T705 PolarHBondContact O-OG1 3.01Å; T705-E708 PolarHBondContact O-N 2.79Å; T705-F709 PolarHBondContact O-N 3.32Å |
| 706 | W | 81.5 | Confident | 74.8 | Confident | 9 Ų | 9 | 72.6 Ų | 72.6 | 3% | 0.034 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 172 | -175.5 | 18.5 | 0 | 0 | 0 | 112 | Y687 F702 W703 Q704 E708 F709 E710 M722 I725 | Y687-W706 HydrophobicContact CD1-CB 3.92Å; Y687-W706 AromaticContact CD1-CG 3.96Å; Y687-W706 HydrophobicContact CD1-CG 3.96Å; Y687-W706 AromaticContact CD2-CD1 3.8Å; Y687-W706 HydrophobicContact CD2-CG 4.46Å; Y687-W706 HydrophobicContact CE1-CB 4.25Å; Y687-W706 HydrophobicContact CG-CB 4.33Å; Y687-W706 AromaticContact CG-CD1 3.6Å; Y687-W706 HydrophobicContact CG-CD2 4.37Å; Y687-W706 AromaticContact CG-CG 3.88Å; Y687-W706 HydrophobicContact CG-CG 3.88Å; F702-W706 AromaticContact CE1-CE3 3.98Å; F702-W706 HydrophobicContact CE1-CE3 3.98Å; F702-W706 HydrophobicContact CZ-CE3 4.2Å; F702-W706 PolarHBondContact O-N 2.91Å; W703-W706 AromaticContact CE3-CE3 3.83Å; W703-W706 HydrophobicContact CE3-CE3 3.83Å; W703-W706 HydrophobicContact CE3-CZ3 4.11Å; W703-W706 HydrophobicContact CH2-CE3 4.29Å; W703-W706 AromaticContact CH2-CZ3 3.82Å; W703-W706 HydrophobicContact CH2-CZ3 3.82Å; W703-W706 AromaticContact CZ3-CE3 3.55Å; W703-W706 HydrophobicContact CZ3-CE3 3.55Å; W703-W706 HydrophobicContact CZ3-CH2 4.47Å; W703-W706 AromaticContact CZ3-CZ3 3.33Å; W703-W706 HydrophobicContact CZ3-CZ3 3.33Å; Q704-W706 PolarHBondContact O-N 3.47Å; W706-E708 PolarHBondContact O-N 2.89Å; W706-F709 AromaticContact CD1-CD1 3.98Å; W706-F709 WeakPolarHBondContact O-CB 3.35Å; W706-F709 PolarHBondContact O-N 3.25Å; W706-E710 PolarHBondContact NE1-OE1 3.05Å; W706-E710 PolarHBondContact O-N 3.27Å; W706-M722 HydrophobicContact CD2-CG 3.59Å; W706-M722 HydrophobicContact CE3-CG 3.69Å; W706-M722 HydrophobicContact CG-CG 4.26Å; W706-M722 HydrophobicContact CH2-CB 4.18Å; W706-M722 HydrophobicContact CH2-CG 3.92Å; W706-M722 HydrophobicContact CZ2-CB 3.89Å; W706-M722 HydrophobicContact CZ2-CG 3.81Å; W706-M722 HydrophobicContact CZ3-CG 3.86Å; W706-I725 HydrophobicContact CH2-CB 4.34Å; W706-I725 HydrophobicContact CH2-CD1 4.06Å; W706-I725 HydrophobicContact CH2-CG2 4.12Å; W706-I725 HydrophobicContact CZ3-CG2 4.31Å |
| 707 | K | 80.6 | Confident | 75 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 173.9 | -179.4 | -173 | 173.9 | -168.3 | 0 | 111.9 | W703 Q704 F709 E710 I711 M722 | W703-K707 VanDerWaalsContact O-CB 3.23Å; W703-K707 WeakPolarHBondContact O-CB 3.36Å; W703-K707 PolarHBondContact O-N 3.15Å; Q704-K707 WeakPolarHBondContact O-CB 3.34Å; Q704-K707 PolarHBondContact O-N 2.96Å; Q704-K707 VanDerWaalsContact O-N 3.14Å; K707-F709 VanDerWaalsContact C-N 3.31Å; K707-F709 PolarHBondContact O-N 2.97Å; K707-E710 PolarHBondContact O-N 3.33Å; K707-I711 HydrophobicContact CD-CD1 4.48Å; K707-I711 HydrophobicContact CG-CD1 3.89Å; K707-I711 WeakPolarHBondContact O-CB 3.44Å; K707-I711 WeakPolarHBondContact O-CD1 3.47Å; K707-I711 VanDerWaalsContact O-CG1 3.23Å; K707-I711 WeakPolarHBondContact O-CG1 3.42Å; K707-I711 PolarHBondContact O-N 3.03Å; K707-M722 HydrophobicContact CB-CE 3.95Å; K707-M722 HydrophobicContact CG-CE 4.09Å |
| 708 | E | 81.3 | Confident | 75.4 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.8 | -29.1 | 176 | -73.9 | 172.4 | -165.8 | 0 | 0 | 113.1 | Q704 T705 W706 R712 | Q704-E708 WeakPolarHBondContact O-CG 3.4Å; Q704-E708 PolarHBondContact O-N 3.46Å; T705-E708 PolarHBondContact O-N 2.79Å; W706-E708 PolarHBondContact O-N 2.89Å; E708-R712 WeakPolarHBondContact O-CB 3.34Å; E708-R712 WeakPolarHBondContact O-CG 3.45Å; E708-R712 PolarHBondContact O-N 3.14Å; E708-R712 PolarHBondContact O-NE 2.69Å |
| 709 | F | 81.7 | Confident | 76 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -50.1 | 170.4 | 165.9 | -97 | 0 | 0 | 0 | 111.5 | C675 I680 A683 R684 Y687 T705 W706 K707 I711 R712 H713 | C675-F709 WeakPolarHBondContact SG-CD2 3.26Å; C675-F709 WeakPolarHBondContact SG-CE2 3.44Å; I680-F709 HydrophobicContact CG2-CE2 4.04Å; I680-F709 HydrophobicContact CG2-CZ 3.59Å; A683-F709 HydrophobicContact CB-CE2 4Å; A683-F709 HydrophobicContact CB-CZ 3.84Å; R684-F709 HydrophobicContact CG-CE1 3.67Å; R684-F709 HydrophobicContact CG-CZ 4.02Å; Y687-F709 AromaticContact CD2-CD1 3.73Å; Y687-F709 HydrophobicContact CD2-CD1 3.73Å; Y687-F709 AromaticContact CD2-CE1 3.9Å; Y687-F709 HydrophobicContact CD2-CE1 3.9Å; Y687-F709 HydrophobicContact CD2-CG 4.18Å; Y687-F709 HydrophobicContact CD2-CZ 4.5Å; Y687-F709 HydrophobicContact CE2-CB 3.98Å; Y687-F709 AromaticContact CE2-CD1 3.59Å; Y687-F709 HydrophobicContact CE2-CD1 3.59Å; Y687-F709 AromaticContact CE2-CD2 3.94Å; Y687-F709 HydrophobicContact CE2-CD2 3.94Å; Y687-F709 AromaticContact CE2-CE1 3.99Å; Y687-F709 HydrophobicContact CE2-CE1 3.99Å; Y687-F709 HydrophobicContact CE2-CE2 4.33Å; Y687-F709 AromaticContact CE2-CG 3.54Å; Y687-F709 HydrophobicContact CE2-CG 3.54Å; Y687-F709 HydrophobicContact CE2-CZ 4.34Å; T705-F709 PolarHBondContact O-N 3.32Å; W706-F709 AromaticContact CD1-CD1 3.98Å; W706-F709 WeakPolarHBondContact O-CB 3.35Å; W706-F709 PolarHBondContact O-N 3.25Å; K707-F709 VanDerWaalsContact C-N 3.31Å; K707-F709 PolarHBondContact O-N 2.97Å; F709-I711 VanDerWaalsContact C-N 3.29Å; F709-I711 PolarHBondContact O-N 2.65Å; F709-R712 PolarHBondContact O-N 2.94Å; F709-H713 AromaticContact CD2-CD2 3.63Å; F709-H713 HydrophobicContact CE2-CB 4.33Å; F709-H713 AromaticContact CE2-CD2 3.73Å; F709-H713 PolarHBondContact O-N 3.39Å |
| 710 | E | 80.6 | Confident | 76.7 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 3% | 0.033 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.2 | -29.1 | 177.8 | -68.2 | -62.1 | 157.4 | 0 | 0 | 112.7 | R684 W706 K707 R712 G714 T718 I719 | R684-E710 IonicContact NE-OE1 4Å; R684-E710 IonicContact NE-OE2 2.79Å; R684-E710 IonicContact NH2-OE2 3.81Å; W706-E710 PolarHBondContact NE1-OE1 3.05Å; W706-E710 PolarHBondContact O-N 3.27Å; K707-E710 PolarHBondContact O-N 3.33Å; E710-R712 VanDerWaalsContact C-N 3.34Å; E710-G714 WeakPolarHBondContact O-CA 3.49Å; E710-G714 PolarHBondContact O-N 3.31Å; E710-T718 VanDerWaalsContact OE2-CB 3.3Å; E710-T718 WeakPolarHBondContact OE2-CB 3.47Å; E710-T718 PolarHBondContact OE2-OG1 3.33Å; E710-I719 HydrophobicContact CB-CG1 3.88Å |
| 711 | I | 80 | Confident | 77 | Confident | 105 Ų | 105 | 73.3 Ų | 73.3 | 54% | 0.538 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.7 | -34 | 171.4 | -72.6 | 166.5 | 0 | 0 | 0 | 111.8 | K707 F709 I719 | K707-I711 HydrophobicContact CD-CD1 4.48Å; K707-I711 HydrophobicContact CG-CD1 3.89Å; K707-I711 WeakPolarHBondContact O-CB 3.44Å; K707-I711 WeakPolarHBondContact O-CD1 3.47Å; K707-I711 VanDerWaalsContact O-CG1 3.23Å; K707-I711 WeakPolarHBondContact O-CG1 3.42Å; K707-I711 PolarHBondContact O-N 3.03Å; F709-I711 VanDerWaalsContact C-N 3.29Å; F709-I711 PolarHBondContact O-N 2.65Å; I711-I719 HydrophobicContact CG1-CD1 4.33Å |
| 712 | R | 76 | Confident | 77 | Confident | 158 Ų | 158 | 67.9 Ų | 67.9 | 60% | 0.596 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -82.5 | -26.8 | -179.6 | -77.4 | 179.8 | -73.9 | 166.2 | -5.1 | 113.9 | E708 F709 E710 | E708-R712 WeakPolarHBondContact O-CB 3.34Å; E708-R712 WeakPolarHBondContact O-CG 3.45Å; E708-R712 PolarHBondContact O-N 3.14Å; E708-R712 PolarHBondContact O-NE 2.69Å; F709-R712 PolarHBondContact O-N 2.94Å; E710-R712 VanDerWaalsContact C-N 3.34Å |
| 713 | H | 73.4 | Confident | 76.9 | Confident | 77 Ų | 77 | 70.9 Ų | 70.9 | 36% | 0.356 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -133.2 | -5.9 | -168.7 | -62.4 | -70.3 | 0 | 0 | 0 | 115.5 | I680 R684 F709 | I680-H713 HydrophobicContact CD1-CB 4.23Å; I680-H713 HydrophobicContact CG2-CB 3.8Å; R684-H713 PolarHBondContact NH2-O 2.94Å; F709-H713 AromaticContact CD2-CD2 3.63Å; F709-H713 HydrophobicContact CE2-CB 4.33Å; F709-H713 AromaticContact CE2-CD2 3.73Å; F709-H713 PolarHBondContact O-N 3.39Å |
| 714 | G | 74.1 | Confident | 77 | Confident | 22 Ų | 22 | 78 Ų | 78 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | trans | -109.1 | -176.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | E710 T718 | E710-G714 WeakPolarHBondContact O-CA 3.49Å; E710-G714 PolarHBondContact O-N 3.31Å; G714-T718 WeakPolarHBondContact CA-OG1 3.45Å | ||
| 715 | N | 70.3 | Confident | 77 | Confident | 118 Ų | 118 | 74.6 Ų | 74.6 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | trans | -117.1 | 166.6 | 177.8 | -72.8 | -28.1 | 0 | 0 | 0 | 109.4 | D717 T718 I719 | N715-D717 PolarHBondContact O-N 2.65Å; N715-D717 VanDerWaalsContact O-N 3.12Å; N715-T718 PolarHBondContact N-OG1 2.95Å; N715-T718 VanDerWaalsContact N-OG1 3.1Å; N715-T718 PolarHBondContact O-N 3.46Å; N715-T718 PolarHBondContact O-OG1 3.29Å; N715-T718 VanDerWaalsContact O-OG1 3.04Å; N715-I719 PolarHBondContact O-N 3.49Å; N715-I719 VanDerWaalsContact O-N 3.16Å | ||
| 716 | E | 70.3 | Confident | 76.8 | Confident | 139 Ų | 139 | 75.4 Ų | 75.4 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -53 | -37.7 | 176.9 | -69.4 | -165.4 | -173.8 | 0 | 0 | 113.2 | I719 R720 | E716-I719 PolarHBondContact O-N 3.27Å; E716-R720 VanDerWaalsContact O-CG 3.31Å; E716-R720 WeakPolarHBondContact O-CG 3.2Å; E716-R720 PolarHBondContact O-N 2.87Å; E716-R720 IonicContact OE2-CZ 2.75Å; E716-R720 IonicContact OE2-NH2 3.27Å; E716-R720 PolarHBondContact OE2-NH2 3.2Å |
| 717 | D | 72.9 | Confident | 76.6 | Confident | 105 Ų | 105 | 83.3 Ų | 83.3 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.2 | -35.3 | 179 | -66.6 | -44.8 | 0 | 0 | 0 | 113.1 | N715 R720 E721 | N715-D717 PolarHBondContact O-N 2.65Å; N715-D717 VanDerWaalsContact O-N 3.12Å; D717-R720 PolarHBondContact O-N 3.44Å; D717-R720 IonicContact OD1-CZ 3.64Å; D717-R720 IonicContact OD1-NH1 2.68Å; D717-R720 PolarHBondContact OD1-NH1 3.41Å; D717-E721 WeakPolarHBondContact O-CB 3.24Å; D717-E721 PolarHBondContact O-N 2.97Å |
| 718 | T | 71.9 | Confident | 76.6 | Confident | 43 Ų | 43 | 80.9 Ų | 80.9 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.2 | -35.6 | 177.4 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | E710 G714 N715 E721 M722 | E710-T718 VanDerWaalsContact OE2-CB 3.3Å; E710-T718 WeakPolarHBondContact OE2-CB 3.47Å; E710-T718 PolarHBondContact OE2-OG1 3.33Å; G714-T718 WeakPolarHBondContact CA-OG1 3.45Å; N715-T718 PolarHBondContact N-OG1 2.95Å; N715-T718 VanDerWaalsContact N-OG1 3.1Å; N715-T718 PolarHBondContact O-N 3.46Å; N715-T718 PolarHBondContact O-OG1 3.29Å; N715-T718 VanDerWaalsContact O-OG1 3.04Å; T718-E721 PolarHBondContact O-N 3.19Å; T718-M722 PolarHBondContact O-N 3.05Å |
| 719 | I | 74.4 | Confident | 76.3 | Confident | 49 Ų | 49 | 76.5 Ų | 76.5 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 172 | -63.3 | 171.3 | 0 | 0 | 0 | 110.9 | E710 I711 N715 E716 E721 M722 L723 | E710-I719 HydrophobicContact CB-CG1 3.88Å; I711-I719 HydrophobicContact CG1-CD1 4.33Å; N715-I719 PolarHBondContact O-N 3.49Å; N715-I719 VanDerWaalsContact O-N 3.16Å; E716-I719 PolarHBondContact O-N 3.27Å; I719-E721 VanDerWaalsContact C-N 3.34Å; I719-M722 HydrophobicContact CG2-CE 4.38Å; I719-L723 HydrophobicContact CG2-CD1 4.42Å; I719-L723 WeakPolarHBondContact O-CG 3.26Å; I719-L723 PolarHBondContact O-N 3.28Å |
| 720 | R | 77.2 | Confident | 75.9 | Confident | 121 Ų | 121 | 80.1 Ų | 80.1 | 46% | 0.457 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 174.4 | -72.6 | 178.8 | -136.4 | 149.6 | -4 | 111.8 | E716 D717 L723 R724 | E716-R720 VanDerWaalsContact O-CG 3.31Å; E716-R720 WeakPolarHBondContact O-CG 3.2Å; E716-R720 PolarHBondContact O-N 2.87Å; E716-R720 IonicContact OE2-CZ 2.75Å; E716-R720 IonicContact OE2-NH2 3.27Å; E716-R720 PolarHBondContact OE2-NH2 3.2Å; D717-R720 PolarHBondContact O-N 3.44Å; D717-R720 IonicContact OD1-CZ 3.64Å; D717-R720 IonicContact OD1-NH1 2.68Å; D717-R720 PolarHBondContact OD1-NH1 3.41Å; R720-L723 PolarHBondContact O-N 3.29Å; R720-R724 WeakPolarHBondContact O-CG 3.42Å; R720-R724 PolarHBondContact O-N 3.48Å |
| 721 | E | 76.2 | Confident | 75.5 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 39% | 0.388 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 177.9 | -160.4 | 56.8 | -145.2 | 0 | 0 | 112 | D717 T718 I719 L723 R724 I725 | D717-E721 WeakPolarHBondContact O-CB 3.24Å; D717-E721 PolarHBondContact O-N 2.97Å; T718-E721 PolarHBondContact O-N 3.19Å; I719-E721 VanDerWaalsContact C-N 3.34Å; E721-L723 VanDerWaalsContact C-N 3.28Å; E721-L723 PolarHBondContact O-N 3Å; E721-R724 WeakPolarHBondContact O-CB 3.35Å; E721-R724 PolarHBondContact O-N 3.46Å; E721-R724 VanDerWaalsContact O-N 3.08Å; E721-R724 WeakPolarHBondContact OE2-CD 3.46Å; E721-R724 IonicContact OE2-CZ 3.54Å; E721-R724 IonicContact OE2-NE 3.8Å; E721-R724 IonicContact OE2-NH1 3.18Å; E721-R724 PolarHBondContact OE2-NH1 2.91Å; E721-I725 HydrophobicContact CG-CD1 4.34Å; E721-I725 WeakPolarHBondContact O-CG1 3.42Å; E721-I725 PolarHBondContact O-N 3.03Å |
| 722 | M | 76.2 | Confident | 75.1 | Confident | 5 Ų | 5 | 80.4 Ų | 80.4 | 3% | 0.025 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.5 | -41.4 | 169.8 | 174.7 | -83.4 | -66.8 | 0 | 0 | 111.9 | W703 W706 K707 T718 I719 I725 K726 | W703-M722 HydrophobicContact CE3-SD 4.28Å; W703-M722 HydrophobicContact CZ3-SD 4.48Å; W706-M722 HydrophobicContact CD2-CG 3.59Å; W706-M722 HydrophobicContact CE3-CG 3.69Å; W706-M722 HydrophobicContact CG-CG 4.26Å; W706-M722 HydrophobicContact CH2-CB 4.18Å; W706-M722 HydrophobicContact CH2-CG 3.92Å; W706-M722 HydrophobicContact CZ2-CB 3.89Å; W706-M722 HydrophobicContact CZ2-CG 3.81Å; W706-M722 HydrophobicContact CZ3-CG 3.86Å; K707-M722 HydrophobicContact CB-CE 3.95Å; K707-M722 HydrophobicContact CG-CE 4.09Å; T718-M722 PolarHBondContact O-N 3.05Å; I719-M722 HydrophobicContact CG2-CE 4.38Å; M722-I725 PolarHBondContact O-N 3.39Å; M722-K726 WeakPolarHBondContact O-CB 3.5Å; M722-K726 PolarHBondContact O-N 2.85Å |
| 723 | L | 76.3 | Confident | 74.6 | Confident | 72 Ų | 72 | 75 Ų | 75 | 38% | 0.377 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70 | -30.3 | 176.1 | -71.1 | 173.5 | 0 | 0 | 0 | 113.4 | I719 R720 E721 R727 | I719-L723 HydrophobicContact CG2-CD1 4.42Å; I719-L723 WeakPolarHBondContact O-CG 3.26Å; I719-L723 PolarHBondContact O-N 3.28Å; R720-L723 PolarHBondContact O-N 3.29Å; E721-L723 VanDerWaalsContact C-N 3.28Å; E721-L723 PolarHBondContact O-N 3Å; L723-R727 VanDerWaalsContact O-CG 3.28Å; L723-R727 WeakPolarHBondContact O-CG 3.42Å; L723-R727 PolarHBondContact O-N 2.91Å; L723-R727 VanDerWaalsContact O-N 3.14Å |
| 724 | R | 80.6 | Confident | 74.4 | Confident | 156 Ų | 156 | 73.8 Ų | 73.8 | 59% | 0.589 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.5 | -48.6 | 170.8 | -75.4 | 165.1 | 170.4 | -179.4 | -1.5 | 110.9 | R720 E721 K726 R727 S728 | R720-R724 WeakPolarHBondContact O-CG 3.42Å; R720-R724 PolarHBondContact O-N 3.48Å; E721-R724 WeakPolarHBondContact O-CB 3.35Å; E721-R724 PolarHBondContact O-N 3.46Å; E721-R724 VanDerWaalsContact O-N 3.08Å; E721-R724 WeakPolarHBondContact OE2-CD 3.46Å; E721-R724 IonicContact OE2-CZ 3.54Å; E721-R724 IonicContact OE2-NE 3.8Å; E721-R724 IonicContact OE2-NH1 3.18Å; E721-R724 PolarHBondContact OE2-NH1 2.91Å; R724-K726 VanDerWaalsContact C-N 3.31Å; R724-K726 PolarHBondContact O-N 3.44Å; R724-R727 PolarHBondContact O-N 2.86Å; R724-R727 VanDerWaalsContact O-N 3.11Å; R724-S728 PolarHBondContact O-N 2.91Å; R724-S728 PolarHBondContact O-OG 3.46Å |
| 725 | I | 80.8 | Confident | 74.3 | Confident | 35 Ų | 35 | 77 Ų | 77 | 18% | 0.179 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 175.6 | -65.4 | 166.7 | 0 | 0 | 0 | 110 | S691 W703 W706 E721 M722 R727 S728 V729 | S691-I725 VanDerWaalsContact OG-CG2 3.25Å; S691-I725 WeakPolarHBondContact OG-CG2 3.35Å; W703-I725 HydrophobicContact CH2-CG2 4.41Å; W706-I725 HydrophobicContact CH2-CB 4.34Å; W706-I725 HydrophobicContact CH2-CD1 4.06Å; W706-I725 HydrophobicContact CH2-CG2 4.12Å; W706-I725 HydrophobicContact CZ3-CG2 4.31Å; E721-I725 HydrophobicContact CG-CD1 4.34Å; E721-I725 WeakPolarHBondContact O-CG1 3.42Å; E721-I725 PolarHBondContact O-N 3.03Å; M722-I725 PolarHBondContact O-N 3.39Å; I725-R727 VanDerWaalsContact C-N 3.31Å; I725-R727 PolarHBondContact O-N 3.41Å; I725-S728 WeakPolarHBondContact CA-OG 3.38Å; I725-S728 PolarHBondContact O-N 3.05Å; I725-S728 PolarHBondContact O-OG 3.31Å; I725-V729 HydrophobicContact CG2-CG2 4.07Å; I725-V729 WeakPolarHBondContact O-CB 3.41Å; I725-V729 VanDerWaalsContact O-CG2 3.24Å; I725-V729 WeakPolarHBondContact O-CG2 3.42Å; I725-V729 PolarHBondContact O-N 3.12Å |
| 726 | K | 77.4 | Confident | 73.8 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 27% | 0.27 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56 | -44 | 174.5 | -167.7 | 172 | -175 | 174.9 | 0 | 112.8 | W703 M722 R724 Q730 | W703-K726 HydrophobicContact CB-CD 4.47Å; W703-K726 HydrophobicContact CD2-CB 4.49Å; W703-K726 HydrophobicContact CD2-CD 3.84Å; W703-K726 HydrophobicContact CD2-CG 3.88Å; W703-K726 HydrophobicContact CE3-CB 3.8Å; W703-K726 HydrophobicContact CE3-CD 3.65Å; W703-K726 HydrophobicContact CE3-CG 3.66Å; W703-K726 HydrophobicContact CG-CD 4.2Å; W703-K726 VanDerWaalsContact CH2-CA 3.45Å; W703-K726 HydrophobicContact CH2-CB 3.79Å; W703-K726 HydrophobicContact CH2-CG 3.99Å; W703-K726 HydrophobicContact CZ2-CB 4.49Å; W703-K726 HydrophobicContact CZ2-CG 4.22Å; W703-K726 HydrophobicContact CZ3-CB 3.39Å; W703-K726 HydrophobicContact CZ3-CD 4.19Å; W703-K726 HydrophobicContact CZ3-CG 3.71Å; M722-K726 WeakPolarHBondContact O-CB 3.5Å; M722-K726 PolarHBondContact O-N 2.85Å; R724-K726 VanDerWaalsContact C-N 3.31Å; R724-K726 PolarHBondContact O-N 3.44Å; K726-Q730 WeakPolarHBondContact O-CB 3.46Å; K726-Q730 PolarHBondContact O-N 3.26Å |
| 727 | R | 77.6 | Confident | 73.2 | Confident | 174 Ų | 174 | 73.8 Ų | 73.8 | 66% | 0.657 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -71.3 | -38 | 178.2 | -70.6 | 171.5 | -169.7 | 179.4 | 4.3 | 112.3 | L723 R724 I725 A731 | L723-R727 VanDerWaalsContact O-CG 3.28Å; L723-R727 WeakPolarHBondContact O-CG 3.42Å; L723-R727 PolarHBondContact O-N 2.91Å; L723-R727 VanDerWaalsContact O-N 3.14Å; R724-R727 PolarHBondContact O-N 2.86Å; R724-R727 VanDerWaalsContact O-N 3.11Å; I725-R727 VanDerWaalsContact C-N 3.31Å; I725-R727 PolarHBondContact O-N 3.41Å; R727-A731 WeakPolarHBondContact O-CB 3.25Å; R727-A731 PolarHBondContact O-N 3.3Å |
| 728 | S | 78.8 | Confident | 72.6 | Confident | 62 Ų | 62 | 73.7 Ų | 73.7 | 43% | 0.434 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.7 | -45 | 178 | 66 | 0 | 0 | 0 | 0 | 111.1 | R724 I725 A731 T732 | R724-S728 PolarHBondContact O-N 2.91Å; R724-S728 PolarHBondContact O-OG 3.46Å; I725-S728 WeakPolarHBondContact CA-OG 3.38Å; I725-S728 PolarHBondContact O-N 3.05Å; I725-S728 PolarHBondContact O-OG 3.31Å; S728-A731 CarbonylContact O-C 3.57Å; S728-A731 WeakPolarHBondContact O-CA 3.31Å; S728-A731 WeakPolarHBondContact O-CB 3.47Å; S728-A731 PolarHBondContact O-N 3.38Å; S728-A731 VanDerWaalsContact O-N 3.09Å; S728-T732 WeakPolarHBondContact O-CG2 3.3Å; S728-T732 PolarHBondContact O-N 3.26Å; S728-T732 PolarHBondContact O-OG1 3.06Å |
| 729 | V | 74.9 | Confident | 72.3 | Confident | 11 Ų | 11 | 78 Ų | 78 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 173.8 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | S691 P696 W703 I725 A731 T732 Y733 | S691-V729 VanDerWaalsContact O-CG1 3.31Å; S691-V729 WeakPolarHBondContact O-CG1 3.23Å; S691-V729 WeakPolarHBondContact O-CG2 3.21Å; P696-V729 HydrophobicContact CG-CB 4.42Å; P696-V729 HydrophobicContact CG-CG1 3.84Å; W703-V729 HydrophobicContact CZ2-CG1 4.36Å; I725-V729 HydrophobicContact CG2-CG2 4.07Å; I725-V729 WeakPolarHBondContact O-CB 3.41Å; I725-V729 VanDerWaalsContact O-CG2 3.24Å; I725-V729 WeakPolarHBondContact O-CG2 3.42Å; I725-V729 PolarHBondContact O-N 3.12Å; V729-A731 PolarHBondContact O-N 3.32Å; V729-T732 WeakPolarHBondContact CA-OG1 3.38Å; V729-T732 PolarHBondContact O-N 2.94Å; V729-T732 PolarHBondContact O-OG1 3.44Å; V729-Y733 HydrophobicContact CG1-CD2 3.61Å; V729-Y733 HydrophobicContact CG1-CE2 3.7Å; V729-Y733 WeakPolarHBondContact O-CD2 3.3Å; V729-Y733 PolarHBondContact O-N 3.05Å |
| 730 | Q | 73.5 | Confident | 70.8 | Confident | 78 Ų | 78 | 81.2 Ų | 81.2 | 36% | 0.364 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.8 | -35.2 | 173.8 | -172.7 | 174.6 | 9 | 0 | 0 | 111.9 | P696 K726 N734 | P696-Q730 HydrophobicContact CB-CB 4.43Å; P696-Q730 HydrophobicContact CG-CB 4.11Å; K726-Q730 WeakPolarHBondContact O-CB 3.46Å; K726-Q730 PolarHBondContact O-N 3.26Å; Q730-N734 WeakPolarHBondContact O-CB 3.35Å; Q730-N734 PolarHBondContact O-N 2.86Å; Q730-N734 PolarHBondContact O-ND2 3.31Å; Q730-N734 VanDerWaalsContact O-ND2 3.13Å |
| 731 | A | 72.7 | Confident | 69.7 | Low | 51 Ų | 51 | 77.9 Ų | 77.9 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R727 S728 V729 N734 T735 | R727-A731 WeakPolarHBondContact O-CB 3.25Å; R727-A731 PolarHBondContact O-N 3.3Å; S728-A731 CarbonylContact O-C 3.57Å; S728-A731 WeakPolarHBondContact O-CA 3.31Å; S728-A731 WeakPolarHBondContact O-CB 3.47Å; S728-A731 PolarHBondContact O-N 3.38Å; S728-A731 VanDerWaalsContact O-N 3.09Å; V729-A731 PolarHBondContact O-N 3.32Å; A731-N734 PolarHBondContact O-N 2.99Å; A731-T735 WeakPolarHBondContact O-CG2 3.26Å; A731-T735 PolarHBondContact O-N 3.45Å; A731-T735 PolarHBondContact O-OG1 3.19Å |
| 732 | T | 71.5 | Confident | 68.5 | Low | 68 Ų | 68 | 76 Ų | 76 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 178.7 | 52.3 | 0 | 0 | 0 | 0 | 111.2 | S728 V729 T735 Q736 | S728-T732 WeakPolarHBondContact O-CG2 3.3Å; S728-T732 PolarHBondContact O-N 3.26Å; S728-T732 PolarHBondContact O-OG1 3.06Å; V729-T732 WeakPolarHBondContact CA-OG1 3.38Å; V729-T732 PolarHBondContact O-N 2.94Å; V729-T732 PolarHBondContact O-OG1 3.44Å; T732-T735 WeakPolarHBondContact CA-OG1 3.39Å; T732-T735 PolarHBondContact O-N 3Å; T732-T735 PolarHBondContact O-OG1 3.4Å; T732-Q736 WeakPolarHBondContact O-CG 3.47Å; T732-Q736 PolarHBondContact O-N 2.92Å |
| 733 | Y | 66.6 | Low | 67.2 | Low | 45 Ų | 45 | 80.7 Ų | 80.7 | 18% | 0.176 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 175.3 | -77.2 | -72.3 | 0 | 0 | 0 | 112.3 | Q692 V729 T735 Q736 V737 | Q692-Y733 PolarHBondContact O-OH 3.41Å; Q692-Y733 VanDerWaalsContact O-OH 3.09Å; V729-Y733 HydrophobicContact CG1-CD2 3.61Å; V729-Y733 HydrophobicContact CG1-CE2 3.7Å; V729-Y733 WeakPolarHBondContact O-CD2 3.3Å; V729-Y733 PolarHBondContact O-N 3.05Å; Y733-T735 VanDerWaalsContact C-N 3.3Å; Y733-T735 PolarHBondContact O-N 3.38Å; Y733-Q736 PolarHBondContact O-N 3.13Å; Y733-V737 WeakPolarHBondContact O-CB 3.28Å; Y733-V737 VanDerWaalsContact O-CG2 3.28Å; Y733-V737 WeakPolarHBondContact O-CG2 3.43Å; Y733-V737 PolarHBondContact O-N 2.68Å |
| 734 | N | 67.8 | Low | 65.7 | Low | 50 Ų | 50 | 84 Ų | 84 | 27% | 0.267 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 170 | -77.8 | -20.3 | 0 | 0 | 0 | 111.4 | R697 Q730 A731 N738 | R697-N734 PolarHBondContact NH2-OD1 3.39Å; Q730-N734 WeakPolarHBondContact O-CB 3.35Å; Q730-N734 PolarHBondContact O-N 2.86Å; Q730-N734 PolarHBondContact O-ND2 3.31Å; Q730-N734 VanDerWaalsContact O-ND2 3.13Å; A731-N734 PolarHBondContact O-N 2.99Å; N734-N738 WeakPolarHBondContact O-CB 3.36Å; N734-N738 PolarHBondContact O-N 3.03Å; N734-N738 PolarHBondContact O-ND2 2.91Å |
| 735 | T | 71.8 | Confident | 64.1 | Low | 89 Ų | 89 | 81.6 Ų | 81.6 | 55% | 0.546 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.2 | -36.4 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | A731 T732 Y733 F739 | A731-T735 WeakPolarHBondContact O-CG2 3.26Å; A731-T735 PolarHBondContact O-N 3.45Å; A731-T735 PolarHBondContact O-OG1 3.19Å; T732-T735 WeakPolarHBondContact CA-OG1 3.39Å; T732-T735 PolarHBondContact O-N 3Å; T732-T735 PolarHBondContact O-OG1 3.4Å; Y733-T735 VanDerWaalsContact C-N 3.3Å; Y733-T735 PolarHBondContact O-N 3.38Å; T735-F739 WeakPolarHBondContact O-CB 3.42Å; T735-F739 PolarHBondContact O-N 2.89Å |
| 736 | Q | 61.3 | Low | 62.3 | Low | 105 Ų | 105 | 87.3 Ų | 87.3 | 49% | 0.491 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 175.7 | -73.3 | 177.2 | -5.6 | 0 | 0 | 111.9 | T732 Y733 F739 M740 | T732-Q736 WeakPolarHBondContact O-CG 3.47Å; T732-Q736 PolarHBondContact O-N 2.92Å; Y733-Q736 PolarHBondContact O-N 3.13Å; Q736-F739 PolarHBondContact O-N 2.99Å; Q736-M740 WeakPolarHBondContact O-CB 3.39Å; Q736-M740 WeakPolarHBondContact O-CG 3.48Å; Q736-M740 PolarHBondContact O-N 2.83Å |
| 737 | V | 57.6 | Low | 60.7 | Low | 85 Ų | 85 | 89 Ų | 89 | 52% | 0.515 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 173.7 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | Y733 F739 S741 | Y733-V737 WeakPolarHBondContact O-CB 3.28Å; Y733-V737 VanDerWaalsContact O-CG2 3.28Å; Y733-V737 WeakPolarHBondContact O-CG2 3.43Å; Y733-V737 PolarHBondContact O-N 2.68Å; V737-F739 VanDerWaalsContact C-N 3.35Å; V737-S741 WeakPolarHBondContact O-CB 3.42Å; V737-S741 PolarHBondContact O-N 3.26Å; V737-S741 PolarHBondContact O-OG 3.32Å; V737-S741 VanDerWaalsContact O-OG 3.09Å |
| 738 | N | 60.6 | Low | 58.9 | Low | 104 Ų | 104 | 83.4 Ų | 83.4 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.5 | -32.5 | 172.7 | -72.5 | -14.7 | 0 | 0 | 0 | 112.5 | N734 S741 S742 | N734-N738 WeakPolarHBondContact O-CB 3.36Å; N734-N738 PolarHBondContact O-N 3.03Å; N734-N738 PolarHBondContact O-ND2 2.91Å; N738-S741 WeakPolarHBondContact CA-OG 3.49Å; N738-S741 PolarHBondContact O-OG 3.36Å; N738-S742 WeakPolarHBondContact O-CB 3.32Å; N738-S742 PolarHBondContact O-N 3.44Å; N738-S742 PolarHBondContact O-OG 3.06Å |
| 739 | F | 64 | Low | 56.8 | Low | 133 Ų | 133 | 85.4 Ų | 85.4 | 58% | 0.583 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -72 | -47.8 | 175.2 | -170.6 | -92.6 | 0 | 0 | 0 | 110.7 | T735 Q736 V737 S741 S742 Q743 | T735-F739 WeakPolarHBondContact O-CB 3.42Å; T735-F739 PolarHBondContact O-N 2.89Å; Q736-F739 PolarHBondContact O-N 2.99Å; V737-F739 VanDerWaalsContact C-N 3.35Å; F739-S741 PolarHBondContact O-N 3.43Å; F739-S742 CarbonylContact O-C 3.6Å; F739-S742 PolarHBondContact O-N 3.42Å; F739-S742 PolarHBondContact O-OG 3.38Å; F739-Q743 VanDerWaalsContact O-CB 3.31Å; F739-Q743 WeakPolarHBondContact O-CB 3.44Å; F739-Q743 PolarHBondContact O-N 3.38Å |
| 740 | M | 44.4 | Very low | 55 | Low | 117 Ų | 117 | 89.9 Ų | 89.9 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -38.2 | 174.6 | -73.1 | 178.2 | 68.7 | 0 | 0 | 112.2 | Q736 Q743 M744 | Q736-M740 WeakPolarHBondContact O-CB 3.39Å; Q736-M740 WeakPolarHBondContact O-CG 3.48Å; Q736-M740 PolarHBondContact O-N 2.83Å; M740-Q743 PolarHBondContact O-N 2.81Å; M740-M744 WeakPolarHBondContact O-CB 3.28Å; M740-M744 VanDerWaalsContact O-CG 3.25Å; M740-M744 WeakPolarHBondContact O-CG 3.35Å; M740-M744 PolarHBondContact O-N 3.12Å |
| 741 | S | 52.3 | Low | 53.2 | Low | 50 Ų | 50 | 89.7 Ų | 89.7 | 35% | 0.35 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.8 | -37.8 | 172.8 | 73.1 | 0 | 0 | 0 | 0 | 111.3 | V737 N738 F739 Q743 M744 L745 | V737-S741 WeakPolarHBondContact O-CB 3.42Å; V737-S741 PolarHBondContact O-N 3.26Å; V737-S741 PolarHBondContact O-OG 3.32Å; V737-S741 VanDerWaalsContact O-OG 3.09Å; N738-S741 WeakPolarHBondContact CA-OG 3.49Å; N738-S741 PolarHBondContact O-OG 3.36Å; F739-S741 PolarHBondContact O-N 3.43Å; S741-Q743 PolarHBondContact O-N 3.36Å; S741-M744 PolarHBondContact O-N 3.36Å; S741-L745 VanDerWaalsContact O-CB 3.23Å; S741-L745 WeakPolarHBondContact O-CB 3.13Å; S741-L745 WeakPolarHBondContact O-CD1 3.25Å; S741-L745 VanDerWaalsContact O-CG 3.26Å; S741-L745 WeakPolarHBondContact O-CG 2.74Å; S741-L745 PolarHBondContact O-N 3.28Å |
| 742 | S | 51.6 | Low | 51.1 | Low | 43 Ų | 43 | 94.2 Ų | 94.2 | 30% | 0.301 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -26.7 | 170.8 | 82.3 | 0 | 0 | 0 | 0 | 113.1 | N738 F739 K746 | N738-S742 WeakPolarHBondContact O-CB 3.32Å; N738-S742 PolarHBondContact O-N 3.44Å; N738-S742 PolarHBondContact O-OG 3.06Å; F739-S742 CarbonylContact O-C 3.6Å; F739-S742 PolarHBondContact O-N 3.42Å; F739-S742 PolarHBondContact O-OG 3.38Å; S742-K746 WeakPolarHBondContact O-CB 3.15Å; S742-K746 VanDerWaalsContact O-CG 3.24Å; S742-K746 WeakPolarHBondContact O-CG 3.26Å; S742-K746 PolarHBondContact O-N 3.13Å |
| 743 | Q | 49.2 | Very low | 49.1 | Very low | 105 Ų | 105 | 94.1 Ų | 94.1 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -83 | -39.6 | 178.1 | -162.6 | 170.3 | 7.1 | 0 | 0 | 111 | F739 M740 S741 L745 K746 V747 | F739-Q743 VanDerWaalsContact O-CB 3.31Å; F739-Q743 WeakPolarHBondContact O-CB 3.44Å; F739-Q743 PolarHBondContact O-N 3.38Å; M740-Q743 PolarHBondContact O-N 2.81Å; S741-Q743 PolarHBondContact O-N 3.36Å; Q743-L745 VanDerWaalsContact C-N 3.34Å; Q743-K746 PolarHBondContact O-N 3Å; Q743-V747 WeakPolarHBondContact O-CB 3.44Å; Q743-V747 VanDerWaalsContact O-CG2 3.3Å; Q743-V747 WeakPolarHBondContact O-CG2 3.48Å; Q743-V747 PolarHBondContact O-N 3Å |
| 744 | M | 44.7 | Very low | 47.4 | Very low | 140 Ų | 140 | 99.5 Ų | 99.5 | 69% | 0.69 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.6 | -42.9 | 165.8 | -74.8 | -86.4 | -167.1 | 0 | 0 | 111.1 | M740 S741 V747 S748 | M740-M744 WeakPolarHBondContact O-CB 3.28Å; M740-M744 VanDerWaalsContact O-CG 3.25Å; M740-M744 WeakPolarHBondContact O-CG 3.35Å; M740-M744 PolarHBondContact O-N 3.12Å; S741-M744 PolarHBondContact O-N 3.36Å; M744-V747 PolarHBondContact O-N 3.33Å; M744-S748 PolarHBondContact O-N 3.35Å; M744-S748 PolarHBondContact O-OG 3.49Å |
| 745 | L | 47.3 | Very low | 45.6 | Very low | 107 Ų | 107 | 104.5 Ų | 104.5 | 56% | 0.56 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66 | -36.9 | 173.9 | -79.4 | 162.3 | 0 | 0 | 0 | 112 | S741 Q743 S748 T749 | S741-L745 VanDerWaalsContact O-CB 3.23Å; S741-L745 WeakPolarHBondContact O-CB 3.13Å; S741-L745 WeakPolarHBondContact O-CD1 3.25Å; S741-L745 VanDerWaalsContact O-CG 3.26Å; S741-L745 WeakPolarHBondContact O-CG 2.74Å; S741-L745 PolarHBondContact O-N 3.28Å; Q743-L745 VanDerWaalsContact C-N 3.34Å; L745-S748 WeakPolarHBondContact CA-OG 3.42Å; L745-S748 PolarHBondContact O-N 3.06Å; L745-S748 PolarHBondContact O-OG 2.92Å; L745-S748 VanDerWaalsContact O-OG 3.14Å; L745-T749 WeakPolarHBondContact O-CB 3.28Å; L745-T749 WeakPolarHBondContact O-CG2 3.16Å; L745-T749 PolarHBondContact O-N 3.23Å; L745-T749 PolarHBondContact O-OG1 3.18Å |
| 746 | K | 42.8 | Very low | 43.7 | Very low | 154 Ų | 154 | 105.4 Ų | 105.4 | 67% | 0.67 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.5 | -36.8 | 172.6 | -82 | 172.2 | 179 | 177.6 | 0 | 112.7 | S742 Q743 T749 | S742-K746 WeakPolarHBondContact O-CB 3.15Å; S742-K746 VanDerWaalsContact O-CG 3.24Å; S742-K746 WeakPolarHBondContact O-CG 3.26Å; S742-K746 PolarHBondContact O-N 3.13Å; Q743-K746 PolarHBondContact O-N 3Å; K746-T749 WeakPolarHBondContact CA-OG1 3.5Å; K746-T749 PolarHBondContact O-OG1 3.08Å |
| 747 | V | 43 | Very low | 42.1 | Very low | 98 Ų | 98 | 107.2 Ų | 107.2 | 59% | 0.594 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.4 | -42.8 | 173.8 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | Q743 M744 S750 | Q743-V747 WeakPolarHBondContact O-CB 3.44Å; Q743-V747 VanDerWaalsContact O-CG2 3.3Å; Q743-V747 WeakPolarHBondContact O-CG2 3.48Å; Q743-V747 PolarHBondContact O-N 3Å; M744-V747 PolarHBondContact O-N 3.33Å; V747-S750 PolarHBondContact O-N 3.08Å; V747-S750 PolarHBondContact O-OG 3.38Å |
| 748 | S | 39.6 | Very low | 40.8 | Very low | 56 Ų | 56 | 110.7 Ų | 110.7 | 39% | 0.392 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.6 | -29.6 | 176.5 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | M744 L745 S750 S751 | M744-S748 PolarHBondContact O-N 3.35Å; M744-S748 PolarHBondContact O-OG 3.49Å; L745-S748 WeakPolarHBondContact CA-OG 3.42Å; L745-S748 PolarHBondContact O-N 3.06Å; L745-S748 PolarHBondContact O-OG 2.92Å; L745-S748 VanDerWaalsContact O-OG 3.14Å; S748-S750 PolarHBondContact O-N 2.67Å; S748-S751 CarbonylContact O-C 3.59Å; S748-S751 PolarHBondContact O-N 2.94Å; S748-S751 VanDerWaalsContact O-O 3.05Å; S748-S751 PolarHBondContact O-OG 3.47Å; S748-S751 VanDerWaalsContact O-OG 3.11Å |
| 749 | T | 35.9 | Very low | 39.2 | Very low | 104 Ų | 104 | 110.1 Ų | 110.1 | 64% | 0.638 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -6.8 | 172.6 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | L745 K746 S751 | L745-T749 WeakPolarHBondContact O-CB 3.28Å; L745-T749 WeakPolarHBondContact O-CG2 3.16Å; L745-T749 PolarHBondContact O-N 3.23Å; L745-T749 PolarHBondContact O-OG1 3.18Å; K746-T749 WeakPolarHBondContact CA-OG1 3.5Å; K746-T749 PolarHBondContact O-OG1 3.08Å; T749-S751 VanDerWaalsContact C-N 3.3Å |
| 750 | S | 36.8 | Very low | 38.1 | Very low | 105 Ų | 105 | 110 Ų | 110 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 3.5 | 164.9 | 57.9 | 0 | 0 | 0 | 0 | 114 | V747 S748 | V747-S750 PolarHBondContact O-N 3.08Å; V747-S750 PolarHBondContact O-OG 3.38Å; S748-S750 PolarHBondContact O-N 2.67Å |
| 751 | S | 35.9 | Very low | 37.3 | Very low | 75 Ų | 75 | 108 Ų | 108 | 52% | 0.524 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -142.7 | 89.1 | 176.5 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | S748 T749 | S748-S751 CarbonylContact O-C 3.59Å; S748-S751 PolarHBondContact O-N 2.94Å; S748-S751 VanDerWaalsContact O-O 3.05Å; S748-S751 PolarHBondContact O-OG 3.47Å; S748-S751 VanDerWaalsContact O-OG 3.11Å; T749-S751 VanDerWaalsContact C-N 3.3Å |
| 752 | T | 28.1 | Very low | 36.1 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 90% | 0.896 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 60.8 | 126 | 176.9 | 31.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 753 | G | 29.9 | Very low | 35.3 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | cis | -167.6 | -166.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 754 | T | 30.6 | Very low | 34.9 | Very low | 159 Ų | 159 | 121.2 Ų | 121.2 | 98% | 0.975 | 74% | 0.741 | S | S | * | * | trans | -70.6 | 158.4 | -179.6 | 19.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 755 | I | 30.4 | Very low | 34.6 | Very low | 155 Ų | 155 | 122 Ų | 122 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | trans | -123 | 142.8 | -162.3 | -62.7 | 164.3 | 0 | 0 | 0 | 112.7 | ||||
| 756 | S | 31.3 | Very low | 34.5 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -163.9 | 112.6 | 144.9 | 53.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 757 | D | 28.9 | Very low | 34.3 | Very low | 142 Ų | 142 | 122.1 Ų | 122.1 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | 64.2 | 134 | 89.4 | -108.3 | 4.1 | 0 | 0 | 0 | 113.6 | |||||
| 758 | L | 29.1 | Very low | 34.2 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | cis | -140.9 | 176.5 | 16.4 | -68.9 | 91.9 | 0 | 0 | 0 | 113.1 | ||||
| 759 | A | 27.5 | Very low | 34.6 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -96.1 | -169.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 760 | P | 41 | Very low | 35.1 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 84% | 0.844 | 77% | 0.774 | S | S | * | * | cis | -135 | 161.6 | -13.3 | 39.6 | -23 | 0 | 0 | 0 | 115.9 | ||||
| 761 | G | 26.9 | Very low | 35.5 | Very low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 154.4 | 144 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 762 | Q | 28.6 | Very low | 35.9 | Very low | 208 Ų | 208 | 133.6 Ų | 133.6 | 97% | 0.972 | 77% | 0.773 | S | S | * | * | trans | 72.9 | 146.4 | 164.7 | -74.5 | 180 | -25.5 | 0 | 0 | 120.6 | ||||
| 763 | M | 34 | Very low | 37 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 95% | 0.946 | 76% | 0.758 | S | S | * | * | trans | -114.4 | 151.4 | -163.8 | -62.3 | 158.5 | 56.6 | 0 | 0 | 111.4 | ||||
| 764 | G | 41.4 | Very low | 37.8 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | 121.8 | 37.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 765 | I | 37.7 | Very low | 38.3 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 81% | 0.805 | 73% | 0.733 | S | S | * | * | trans | -129.9 | -8.3 | 176.9 | -61.4 | -177.4 | 0 | 0 | 0 | 114.9 | D767 | I765-D767 PolarHBondContact O-N 2.94Š| ||
| 766 | D | 44.6 | Very low | 39.1 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -17.9 | -167.5 | -88.3 | -35.3 | 0 | 0 | 0 | 117.7 | M768 K769 | D766-M768 VanDerWaalsContact C-N 3.32Å; D766-M768 PolarHBondContact O-N 2.87Å; D766-K769 PolarHBondContact O-N 3.27Å |
| 767 | D | 38.2 | Very low | 39.7 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -68.5 | -26.6 | -173.5 | -76.3 | -33.3 | 0 | 0 | 0 | 114 | I765 | I765-D767 PolarHBondContact O-N 2.94Å |
| 768 | M | 41.9 | Very low | 40.2 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 80% | 0.798 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -76.4 | -31.3 | 179.3 | -152.5 | 177 | -162.7 | 0 | 0 | 112.2 | D766 L771 E772 | D766-M768 VanDerWaalsContact C-N 3.32Å; D766-M768 PolarHBondContact O-N 2.87Å; M768-L771 WeakPolarHBondContact O-CB 3.3Å; M768-L771 PolarHBondContact O-N 3.42Å; M768-E772 PolarHBondContact O-N 3.02Å |
| 769 | K | 47.2 | Very low | 40.8 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 63% | 0.63 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -76.5 | -31.7 | -175 | -155.4 | 171.2 | -173.6 | 176 | 0 | 112.7 | D766 L771 Q773 | D766-K769 PolarHBondContact O-N 3.27Å; K769-L771 VanDerWaalsContact C-N 3.34Å; K769-Q773 PolarHBondContact O-N 3.47Å |
| 770 | M | 46.4 | Very low | 41.6 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.4 | -28.1 | 171.4 | -74.5 | -150.1 | -68.6 | 0 | 0 | 113.3 | K774 | M770-K774 PolarHBondContact O-N 2.93Å |
| 771 | L | 45.1 | Very low | 41.5 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70 | -40.5 | 174.9 | -101.8 | 156.9 | 0 | 0 | 0 | 111.8 | M768 K769 K774 A775 | M768-L771 WeakPolarHBondContact O-CB 3.3Å; M768-L771 PolarHBondContact O-N 3.42Å; K769-L771 VanDerWaalsContact C-N 3.34Å; L771-K774 PolarHBondContact O-N 3.08Å; L771-A775 PolarHBondContact O-N 3.48Å |
| 772 | E | 45.8 | Very low | 42.2 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 58% | 0.575 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68 | -41.5 | 178.2 | -165.5 | 170.5 | -147.4 | 0 | 0 | 112.5 | M768 K774 A775 Q776 | M768-E772 PolarHBondContact O-N 3.02Å; E772-K774 VanDerWaalsContact C-N 3.29Å; E772-K774 PolarHBondContact O-N 3.19Å; E772-A775 PolarHBondContact O-N 3.27Å; E772-Q776 PolarHBondContact O-N 3.45Å; E772-Q776 VanDerWaalsContact O-N 3.13Å |
| 773 | Q | 49.6 | Very low | 42.8 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 56% | 0.561 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -59.9 | -37.1 | 172 | -85.8 | -174.3 | -27.7 | 0 | 0 | 113 | K769 Q776 Q777 | K769-Q773 PolarHBondContact O-N 3.47Å; Q773-Q776 PolarHBondContact O-N 2.92Å; Q773-Q777 WeakPolarHBondContact O-CG 3.38Å; Q773-Q777 PolarHBondContact O-N 2.95Å; Q773-Q777 VanDerWaalsContact O-N 3.1Å |
| 774 | K | 47.4 | Very low | 43.3 | Very low | 144 Ų | 144 | 119.8 Ų | 119.8 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.2 | -34.9 | 178.6 | -129.1 | 172.8 | -175.7 | 175.6 | 0 | 112.6 | M770 L771 E772 L778 | M770-K774 PolarHBondContact O-N 2.93Å; L771-K774 PolarHBondContact O-N 3.08Å; E772-K774 VanDerWaalsContact C-N 3.29Å; E772-K774 PolarHBondContact O-N 3.19Å; K774-L778 PolarHBondContact O-N 3.16Å |
| 775 | A | 40.9 | Very low | 43 | Very low | 61 Ų | 61 | 123.7 Ų | 123.7 | 50% | 0.504 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L771 E772 A779 | L771-A775 PolarHBondContact O-N 3.48Å; E772-A775 PolarHBondContact O-N 3.27Å; A775-A779 PolarHBondContact O-N 2.84Å |
| 776 | Q | 47.1 | Very low | 43 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 60% | 0.598 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.8 | -34.5 | 177.1 | -70.7 | 177.9 | -4.5 | 0 | 0 | 113.1 | E772 Q773 A779 A780 | E772-Q776 PolarHBondContact O-N 3.45Å; E772-Q776 VanDerWaalsContact O-N 3.13Å; Q773-Q776 PolarHBondContact O-N 2.92Å; Q776-A779 PolarHBondContact O-N 3.29Å; Q776-A780 PolarHBondContact O-N 2.94Å; Q776-A780 VanDerWaalsContact O-N 3.11Å |
| 777 | Q | 44.3 | Very low | 42.3 | Very low | 126 Ų | 126 | 127 Ų | 127 | 59% | 0.589 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.9 | -44.1 | 175.3 | -75.2 | 176.3 | -15.5 | 0 | 0 | 112.3 | Q773 A779 A780 E781 | Q773-Q777 WeakPolarHBondContact O-CG 3.38Å; Q773-Q777 PolarHBondContact O-N 2.95Å; Q773-Q777 VanDerWaalsContact O-N 3.1Å; Q777-A779 VanDerWaalsContact C-N 3.29Å; Q777-A779 PolarHBondContact O-N 3Å; Q777-A780 PolarHBondContact O-N 3.31Å; Q777-A780 VanDerWaalsContact O-N 3.12Å; Q777-E781 PolarHBondContact O-N 3.09Å; Q777-E781 VanDerWaalsContact O-N 3.09Å |
| 778 | L | 39.8 | Very low | 42 | Very low | 116 Ų | 116 | 130 Ų | 130 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.4 | -32.1 | 176.3 | -71.8 | 166.3 | 0 | 0 | 0 | 112.8 | K774 A782 | K774-L778 PolarHBondContact O-N 3.16Å; L778-A782 PolarHBondContact O-N 3.36Å |
| 779 | A | 42.4 | Very low | 41.4 | Very low | 61 Ų | 61 | 128.3 Ų | 128.3 | 50% | 0.504 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69.5 | -34.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A775 Q776 Q777 | A775-A779 PolarHBondContact O-N 2.84Å; Q776-A779 PolarHBondContact O-N 3.29Å; Q777-A779 VanDerWaalsContact C-N 3.29Å; Q777-A779 PolarHBondContact O-N 3Å |
| 780 | A | 43.5 | Very low | 40.6 | Very low | 55 Ų | 55 | 131.3 Ų | 131.3 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -73.3 | -30.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q776 Q777 E783 | Q776-A780 PolarHBondContact O-N 2.94Å; Q776-A780 VanDerWaalsContact O-N 3.11Å; Q777-A780 PolarHBondContact O-N 3.31Å; Q777-A780 VanDerWaalsContact O-N 3.12Å; A780-E783 PolarHBondContact O-N 2.96Å |
| 781 | E | 39 | Very low | 39.8 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 62% | 0.617 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69 | -35.5 | 174.5 | -71.5 | 176.9 | 162.5 | 0 | 0 | 111.9 | Q777 E783 Q784 | Q777-E781 PolarHBondContact O-N 3.09Å; Q777-E781 VanDerWaalsContact O-N 3.09Å; E781-E783 VanDerWaalsContact C-N 3.28Å; E781-E783 PolarHBondContact O-N 2.75Å; E781-Q784 PolarHBondContact O-N 2.63Å |
| 782 | A | 40.4 | Very low | 38.8 | Very low | 82 Ų | 82 | 138.5 Ų | 138.5 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68.3 | -21.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L778 | L778-A782 PolarHBondContact O-N 3.36Å |
| 783 | E | 42 | Very low | 38.1 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -85.1 | -16.2 | 176.8 | -80.2 | -95.3 | 117.4 | 0 | 0 | 113.1 | A780 E781 D785 | A780-E783 PolarHBondContact O-N 2.96Å; E781-E783 VanDerWaalsContact C-N 3.28Å; E781-E783 PolarHBondContact O-N 2.75Å; E783-D785 VanDerWaalsContact C-N 3.34Å; E783-D785 PolarHBondContact O-N 3.17Å |
| 784 | Q | 43.6 | Very low | 37 | Very low | 164 Ų | 164 | 143.2 Ų | 143.2 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -77.3 | -14.5 | -176.8 | -73.5 | -165.5 | 4.6 | 0 | 0 | 114.7 | E781 K786 | E781-Q784 PolarHBondContact O-N 2.63Å; Q784-K786 PolarHBondContact O-N 3.36Å; Q784-K786 VanDerWaalsContact O-N 3.13Å |
| 785 | D | 37 | Very low | 35.7 | Very low | 159 Ų | 159 | 145 Ų | 145 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | -87.3 | 28.1 | -171.6 | -130 | 5.3 | 0 | 0 | 0 | 114.2 | E783 | E783-D785 VanDerWaalsContact C-N 3.34Å; E783-D785 PolarHBondContact O-N 3.17Å | ||
| 786 | K | 36.5 | Very low | 35.2 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -116.8 | 129 | 173.2 | -77.3 | 176.9 | -176.7 | 161.4 | 0 | 112.4 | Q784 | Q784-K786 PolarHBondContact O-N 3.36Å; Q784-K786 VanDerWaalsContact O-N 3.13Å |
| 787 | L | 29.9 | Very low | 34.1 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 94% | 0.942 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 128.4 | -173 | -69.5 | 159.9 | 0 | 0 | 0 | 113.5 | ||
| 788 | K | 32.2 | Very low | 33.2 | Very low | 200 Ų | 200 | 151.3 Ų | 151.3 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74 | 127.9 | 176.3 | -66.5 | 179.2 | 177.7 | 178.1 | 0 | 112.9 | ||
| 789 | P | 29.9 | Very low | 32.8 | Very low | 125 Ų | 125 | 153.2 Ų | 153.2 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 148.6 | 157.7 | -1.7 | 19.6 | 0 | 0 | 0 | 110.7 | ||
| 790 | K | 29.7 | Very low | 32.3 | Very low | 208 Ų | 208 | 156.3 Ų | 156.3 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 145.9 | -177.8 | -71.1 | 179.9 | 176.3 | 177.9 | 0 | 113.2 | ||
| 791 | E | 29.3 | Very low | 32 | Very low | 191 Ų | 191 | 157.7 Ų | 157.7 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 152.8 | 177.6 | -59.3 | 172.6 | 140.4 | 0 | 0 | 113.7 | ||
| 792 | K | 25.2 | Very low | 31.7 | Very low | 210 Ų | 210 | 161.6 Ų | 161.6 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -142.2 | 141.1 | 157.8 | -118.8 | -177.9 | -177.9 | -178 | 0 | 111 | ||||
| 793 | I | 30.3 | Very low | 31.4 | Very low | 165 Ų | 165 | 161.6 Ų | 161.6 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -80.4 | 145.5 | -165.6 | -59.5 | 150.4 | 0 | 0 | 0 | 111.7 | ||||
| 794 | L | 26.5 | Very low | 31.1 | Very low | 178 Ų | 178 | 161.2 Ų | 161.2 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | -139.3 | 159.3 | 163.9 | -104 | 166.9 | 0 | 0 | 0 | 111.7 | ||||
| 795 | F | 21.3 | Very low | 30.7 | Very low | 181 Ų | 181 | 159.4 Ų | 159.4 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | -123.8 | 126.5 | -153.4 | 179.4 | -91.8 | 0 | 0 | 0 | 113.1 | ||||
| 796 | V | 29.7 | Very low | 30.6 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | trans | 29.7 | 114.2 | 155.4 | -171.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 797 | R | 23.4 | Very low | 30.5 | Very low | 239 Ų | 239 | 153.2 Ų | 153.2 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | -170.2 | 161.6 | 123.8 | -110.6 | 176.3 | 177.8 | -180 | -0.7 | 114.9 | |||||
| 798 | S | 26.7 | Very low | 30.7 | Very low | 97 Ų | 97 | 151.8 Ų | 151.8 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | 77.1 | 100.5 | 170.6 | 62.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 799 | D | 30.1 | Very low | 30.7 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | -99.2 | 35.4 | 173.7 | -91.4 | -51.5 | 0 | 0 | 0 | 113.1 | ||||
| 800 | T | 33 | Very low | 30.9 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | -123.1 | 32.4 | -169.4 | 49.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 801 | S | 36.2 | Very low | 30.9 | Very low | 85 Ų | 85 | 148.6 Ų | 148.6 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -135.2 | -1.4 | 172.7 | 57.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 802 | R | 32.8 | Very low | 30.9 | Very low | 213 Ų | 213 | 144.2 Ų | 144.2 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -14.2 | -176.9 | -120.1 | 177.5 | 179.9 | 175 | -1 | 114.8 | ||
| 803 | S | 34.6 | Very low | 31 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -46.1 | 177.5 | -158.8 | 0 | 0 | 0 | 0 | 111.7 | L805 A806 E807 | S803-L805 VanDerWaalsContact C-N 3.33Å; S803-L805 PolarHBondContact O-N 3.04Å; S803-A806 WeakPolarHBondContact O-CB 3.46Å; S803-A806 PolarHBondContact O-N 2.88Å; S803-E807 PolarHBondContact O-N 2.93Å |
| 804 | E | 36.2 | Very low | 31.1 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -66.7 | -34 | -176.7 | -63.3 | 174.5 | 153.5 | 0 | 0 | 112.3 | A806 E807 L808 | E804-A806 VanDerWaalsContact C-N 3.28Å; E804-A806 PolarHBondContact O-N 2.96Å; E804-E807 PolarHBondContact O-N 3.01Å; E804-L808 PolarHBondContact O-N 3.02Å |
| 805 | L | 35.1 | Very low | 31.2 | Very low | 127 Ų | 127 | 138 Ų | 138 | 67% | 0.665 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -70.9 | -18.5 | 173 | -103.3 | 158.4 | 0 | 0 | 0 | 113.9 | S803 S809 | S803-L805 VanDerWaalsContact C-N 3.33Å; S803-L805 PolarHBondContact O-N 3.04Å; L805-S809 PolarHBondContact O-OG 2.88Å |
| 806 | A | 34 | Very low | 31.7 | Very low | 54 Ų | 54 | 138.7 Ų | 138.7 | 45% | 0.446 | 74% | 0.74 | S | S | . | * | H | α-helix | trans | -89.8 | -18.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S803 E804 S809 | S803-A806 WeakPolarHBondContact O-CB 3.46Å; S803-A806 PolarHBondContact O-N 2.88Å; E804-A806 VanDerWaalsContact C-N 3.28Å; E804-A806 PolarHBondContact O-N 2.96Å; A806-S809 PolarHBondContact O-OG 3.27Å |
| 807 | E | 34.2 | Very low | 31.6 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -85.3 | -35.5 | 173.9 | -68.3 | -176.6 | 146.9 | 0 | 0 | 111.6 | S803 E804 S809 K810 | S803-E807 PolarHBondContact O-N 2.93Å; E804-E807 PolarHBondContact O-N 3.01Å; E807-S809 PolarHBondContact O-N 3.06Å; E807-K810 PolarHBondContact O-N 3.03Å |
| 808 | L | 34.2 | Very low | 31.9 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -13.8 | 176.9 | -78.9 | 164.9 | 0 | 0 | 0 | 115.2 | E804 | E804-L808 PolarHBondContact O-N 3.02Š|
| 809 | S | 31.8 | Very low | 32 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 10.8 | -178.5 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | L805 A806 E807 | L805-S809 PolarHBondContact O-OG 2.88Å; A806-S809 PolarHBondContact O-OG 3.27Å; E807-S809 PolarHBondContact O-N 3.06Å |
| 810 | K | 34.1 | Very low | 31.8 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -111.8 | 8.4 | -174.8 | -89 | -174 | 174.4 | -179.9 | 0 | 116.5 | E807 | E807-K810 PolarHBondContact O-N 3.03Š|
| 811 | Q | 31 | Very low | 31.6 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | trans | -131.8 | 81.9 | -179 | -73.2 | -174.5 | -25.1 | 0 | 0 | 113.6 | ||||
| 812 | A | 27.8 | Very low | 31.3 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | trans | -177.2 | 131.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 813 | N | 29.2 | Very low | 31.2 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | cis | -154.9 | 121.5 | 5.8 | 177.3 | 38.6 | 0 | 0 | 0 | 108 | ||||
| 814 | P | 30.6 | Very low | 31 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | trans | -115.1 | 112.8 | 172.5 | 34.3 | -20.6 | 0 | 0 | 0 | 111.6 | ||||
| 815 | D | 29.1 | Very low | 30.7 | Very low | 159 Ų | 159 | 139.7 Ų | 139.7 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | trans | -152.9 | 105 | 154.1 | -102.5 | -28.1 | 0 | 0 | 0 | 109.5 | ||||
| 816 | E | 31.8 | Very low | 30.4 | Very low | 196 Ų | 196 | 140.5 Ų | 140.5 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | trans | -123.8 | 133.4 | 156.8 | -168.8 | 172.4 | -148 | 0 | 0 | 106.6 | ||||
| 817 | I | 28.7 | Very low | 30.2 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -78.6 | 135.1 | -150.7 | -64 | 159.4 | 0 | 0 | 0 | 113.1 | I819 | I817-I819 HydrophobicContact CG2-CG1 4.42Š| ||
| 818 | N | 29.6 | Very low | 29.9 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -158.1 | 95.7 | 141.6 | -137 | 9.9 | 0 | 0 | 0 | 114 | ||||
| 819 | I | 27.3 | Very low | 29.7 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | 30.2 | 105.9 | 126.8 | -61.9 | 172.9 | 0 | 0 | 0 | 117 | I817 | I817-I819 HydrophobicContact CG2-CG1 4.42Š| |||
| 820 | D | 27.1 | Very low | 29.5 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | 179.4 | 147.9 | 99.4 | -100.3 | -25.2 | 0 | 0 | 0 | 113.1 | |||||
| 821 | D | 28.5 | Very low | 29.2 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | trans | 57.8 | 115.6 | 149.2 | -62.8 | -8.1 | 0 | 0 | 0 | 124.6 | ||||
| 822 | D | 29.9 | Very low | 29.9 | Very low | 132 Ų | 132 | 139 Ų | 139 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 99.6 | 115.8 | 126.6 | -64 | -12 | 0 | 0 | 0 | 124.2 | |||||
| 823 | E | 30.9 | Very low | 29.9 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | 76.3 | 97.1 | 136.9 | -63.6 | -178.5 | 167.3 | 0 | 0 | 121.7 | ||||
| 824 | D | 29.3 | Very low | 29.9 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 100.9 | 136.9 | 112.3 | -67.7 | -6.6 | 0 | 0 | 0 | 124.7 | |||||
| 825 | E | 30.3 | Very low | 30 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | 75 | 83.9 | 151.5 | -70.6 | 178.9 | -178.8 | 0 | 0 | 122.1 | ||||
| 826 | D | 29 | Very low | 30.1 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | 76.9 | 138.7 | 101.6 | -70 | -15.9 | 0 | 0 | 0 | 126.6 | |||||
| 827 | E | 30.7 | Very low | 30.1 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | 83.9 | 111.3 | 142.7 | -76.5 | -179.7 | 174.6 | 0 | 0 | 124.1 | ||||
| 828 | D | 27.4 | Very low | 30.2 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | 79.9 | 148.1 | 126.9 | -68.7 | 3 | 0 | 0 | 0 | 123.8 | |||||
| 829 | D | 28.6 | Very low | 30.5 | Very low | 131 Ų | 131 | 143 Ų | 143 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | -171 | 174.3 | -27.5 | -177.4 | 28.8 | 0 | 0 | 0 | 107.7 | ||||
| 830 | Q | 29 | Very low | 30.9 | Very low | 168 Ų | 168 | 147 Ų | 147 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 104.1 | 85.2 | 156.6 | -61.6 | 170.8 | 18.3 | 0 | 0 | 118.6 | ||||
| 831 | G | 27.8 | Very low | 31.3 | Very low | 63 Ų | 63 | 146.1 Ų | 146.1 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | -75.7 | -150.6 | 129.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 832 | P | 44.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 146.6 Ų | 146.6 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | cis | -106.3 | -156.4 | 7.6 | 38.7 | -23.7 | 0 | 0 | 0 | 110.9 | ||||
| 833 | D | 28.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 146 Ų | 146 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | cis | -156.7 | 171.4 | 13.5 | -147.5 | -19.5 | 0 | 0 | 0 | 112.7 | ||||
| 834 | E | 30.3 | Very low | 32.9 | Very low | 173 Ų | 173 | 144.7 Ų | 144.7 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -99.4 | -173.4 | 173 | -66.5 | -171.3 | 133.4 | 0 | 0 | 110.3 | ||||
| 835 | V | 32.9 | Very low | 33.3 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | cis | -163.2 | 162.1 | 34.3 | -169.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 836 | Q | 30.1 | Very low | 33.4 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 115.1 | 106.2 | 132.4 | -133.3 | 157.7 | 93.3 | 0 | 0 | 121.4 | ||||
| 837 | L | 32.2 | Very low | 33.5 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 46.7 | 154.7 | 133.8 | -53.6 | 174.2 | 0 | 0 | 0 | 120.9 | ||||
| 838 | E | 30.6 | Very low | 33.5 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | cis | -162.3 | 167.3 | 9.2 | -137.3 | 163.9 | -135.2 | 0 | 0 | 111 | ||||
| 839 | Q | 36.2 | Very low | 33.7 | Very low | 191 Ų | 191 | 137.7 Ų | 137.7 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -83 | 149.8 | 175.8 | -70.1 | 178.9 | -11.8 | 0 | 0 | 113.3 | ||||
| 840 | K | 35.1 | Very low | 34 | Very low | 209 Ų | 209 | 139.8 Ų | 139.8 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -117.7 | 128.4 | 171 | -84.5 | -175.8 | 176.7 | 174.5 | 0 | 113.3 | ||||
| 841 | S | 36.5 | Very low | 34.1 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 149 | 165.8 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 842 | V | 45.4 | Very low | 34.4 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 127.5 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 843 | P | 37.6 | Very low | 33.7 | Very low | 118 Ų | 118 | 149 Ų | 149 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139 | -178.1 | -22.8 | 34.8 | 0 | 0 | 0 | 115.6 | ||
| 844 | T | 39.2 | Very low | 34 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -73.3 | 113.8 | 166.7 | 42.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 845 | A | 37.3 | Very low | 34.2 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 78% | 0.777 | 83% | 0.827 | S | S | * | * | trans | -155.7 | 26.3 | 169 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 846 | V | 33.6 | Very low | 34.3 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | trans | -140.9 | 74.7 | 170.2 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 847 | F | 31 | Very low | 34.5 | Very low | 210 Ų | 210 | 149.4 Ų | 149.4 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | -127.5 | 134.2 | 166.2 | -99.6 | -68.4 | 0 | 0 | 0 | 110.2 | ||||
| 848 | G | 29.8 | Very low | 34.7 | Very low | 82 Ų | 82 | 149.9 Ų | 149.9 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | trans | 100 | 120.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 849 | G | 31.7 | Very low | 35 | Very low | 70 Ų | 70 | 148.5 Ų | 148.5 | 72% | 0.722 | 85% | 0.85 | S | S | * | * | cis | 151.2 | 134.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 850 | L | 34.8 | Very low | 34.9 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 91% | 0.911 | 85% | 0.847 | S | S | * | * | trans | 47.5 | 109.8 | 157.6 | -70.8 | 159.2 | 0 | 0 | 0 | 119.3 | ||||
| 851 | K | 30.6 | Very low | 34.8 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 69% | 0.691 | 84% | 0.843 | S | S | * | * | -171.9 | 138.8 | 102.9 | -108.1 | 179 | 174.4 | -82.4 | 0 | 113.8 | |||||
| 852 | E | 35 | Very low | 34.7 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 67% | 0.673 | 85% | 0.846 | S | S | * | * | trans | 33.7 | 107.6 | 131.8 | -64.8 | 162.3 | -165.2 | 0 | 0 | 119.1 | ||||
| 853 | D | 30.6 | Very low | 33.7 | Very low | 243 Ų | 243 | 143 Ų | 143 | 100% | 1.299 | 85% | 0.846 | S | S | * | * | -158.2 | 0 | 95.6 | -93.1 | -23.8 | 0 | 0 | 0 | 110.1 |
Retrieved 853 of 853 residues in 6550.6 ms
(Link to these results)