| 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 | 37.2 | Very low | 45.3 | Very low | 240 Ų | 240 | 135.1 Ų | 135.1 | 100% | 1.182 | 79% | 0.792 | S | S | * | * | 0 | 99.3 | 0 | -68.7 | -164.2 | -177.5 | 0 | 0 | 108 | T3 | M1-T3 PolarHBondContact O-N 3.45Š| |||
| 2 | A | 38.8 | Very low | 46 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -81.2 | 105.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | S4 | A2-S4 PolarHBondContact O-N 2.94Š| ||
| 3 | T | 43.4 | Very low | 46.7 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -72.5 | 109.3 | 172.2 | 45.9 | 0 | 0 | 0 | 0 | 108.8 | M1 | M1-T3 PolarHBondContact O-N 3.45Š| ||
| 4 | S | 43.3 | Very low | 47.7 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 0.1 | 118.1 | 159.6 | 42.7 | 0 | 0 | 0 | 0 | 117 | A2 G6 | A2-S4 PolarHBondContact O-N 2.94Å; S4-G6 PolarHBondContact O-N 3.36Å | ||
| 5 | L | 46.9 | Very low | 49.1 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | -50.8 | 104.6 | 156 | -73.6 | 151.1 | 0 | 0 | 0 | 108.7 | S7 | L5-S7 PolarHBondContact O-N 3.32Š| ||
| 6 | G | 45.6 | Very low | 50.4 | Low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | trans | -54.9 | 119.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S4 N8 | S4-G6 PolarHBondContact O-N 3.36Å; G6-N8 PolarHBondContact O-N 3.46Å | ||
| 7 | S | 46.6 | Very low | 52.1 | Low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -63 | 87.2 | 170.7 | 48.5 | 0 | 0 | 0 | 0 | 110.9 | L5 | L5-S7 PolarHBondContact O-N 3.32Š|
| 8 | N | 44.5 | Very low | 53.8 | Low | 106 Ų | 106 | 120.7 Ų | 120.7 | 57% | 0.567 | 65% | 0.654 | S | S | * | * | trans | -154.9 | 83.1 | 155.5 | -99.4 | -35.3 | 0 | 0 | 0 | 108.5 | G6 | G6-N8 PolarHBondContact O-N 3.46Š| ||
| 9 | T | 51.2 | Low | 55.6 | Low | 109 Ų | 109 | 121.8 Ų | 121.8 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | trans | -100.6 | 10.7 | -175.5 | 44.8 | 0 | 0 | 0 | 0 | 113.5 | N11 | T9-N11 PolarHBondContact O-N 3.36Š| ||
| 10 | Y | 47 | Very low | 57.4 | Low | 218 Ų | 218 | 122.3 Ų | 122.3 | 86% | 0.855 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 112.6 | 179.7 | -88.7 | -95.7 | 0 | 0 | 0 | 110.4 | ||
| 11 | N | 53.6 | Low | 59.2 | Low | 117 Ų | 117 | 116.5 Ų | 116.5 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.8 | 38.1 | 173.9 | -89.4 | -28.6 | 0 | 0 | 0 | 120.2 | T9 Q13 | T9-N11 PolarHBondContact O-N 3.36Å; N11-Q13 VanDerWaalsContact C-N 3.28Å; N11-Q13 PolarHBondContact O-N 2.91Å |
| 12 | R | 54.2 | Low | 61.9 | Low | 156 Ų | 156 | 106.8 Ų | 106.8 | 59% | 0.589 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 10.8 | 173.3 | -93.5 | -175 | 167.1 | 179.7 | -3.6 | 116.9 | W15 | R12-W15 PolarHBondContact O-NE1 2.9Š|
| 13 | Q | 55 | Low | 64.6 | Low | 177 Ų | 177 | 102.7 Ų | 102.7 | 83% | 0.827 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.9 | -172.2 | -84.7 | 174.7 | -2.7 | 0 | 0 | 116.4 | N11 W15 | N11-Q13 VanDerWaalsContact C-N 3.28Å; N11-Q13 PolarHBondContact O-N 2.91Å; Q13-W15 PolarHBondContact O-N 3.45Å |
| 14 | N | 61.3 | Low | 67 | Low | 87 Ų | 87 | 97.4 Ų | 97.4 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | trans | -88.3 | 95.4 | 169.3 | -87.3 | 30.2 | 0 | 0 | 0 | 109.9 | R50 | N14-R50 PolarHBondContact O-NH2 3.3Š| ||
| 15 | W | 67.6 | Low | 69.3 | Low | 159 Ų | 159 | 98.7 Ų | 98.7 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | trans | -97.4 | 118.3 | 177.3 | -76.3 | 6 | 0 | 0 | 0 | 109.6 | R12 Q13 D17 Y41 | R12-W15 PolarHBondContact O-NE1 2.9Å; Q13-W15 PolarHBondContact O-N 3.45Å; W15-D17 PolarHBondContact O-N 3.46Å; W15-Y41 HydrophobicContact CB-CD1 4.37Å; W15-Y41 HydrophobicContact CB-CE1 3.44Å; W15-Y41 VanDerWaalsContact CB-CE1 3.44Å; W15-Y41 WeakPolarHBondContact CB-OH 3.17Å; W15-Y41 HydrophobicContact CD2-CE1 4.3Å; W15-Y41 HydrophobicContact CD2-CE2 4.29Å; W15-Y41 HydrophobicContact CE3-CD2 4.28Å; W15-Y41 HydrophobicContact CE3-CE1 4.45Å; W15-Y41 AromaticContact CE3-CE2 3.68Å; W15-Y41 HydrophobicContact CE3-CE2 3.68Å; W15-Y41 AromaticContact CE3-CZ 3.8Å; W15-Y41 HydrophobicContact CG-CD1 4.42Å; W15-Y41 AromaticContact CG-CE1 3.89Å; W15-Y41 HydrophobicContact CG-CE1 3.89Å; W15-Y41 HydrophobicContact CZ3-CE2 4.35Å | ||
| 16 | E | 71.1 | Confident | 71.5 | Confident | 26 Ų | 26 | 91.4 Ų | 91.4 | 12% | 0.121 | 47% | 0.465 | C | S | . | . | B | Isolated β-bridge | trans | -79.4 | 108.4 | -178.3 | -166.1 | -168.7 | 103.1 | 0 | 0 | 110.4 | T53 Q72 T73 | E16-T53 PolarHBondContact O-OG1 3.48Å; E16-Q72 WeakPolarHBondContact OE1-CA 3.22Å; E16-Q72 WeakPolarHBondContact OE1-CB 3.38Å; E16-Q72 PolarHBondContact OE1-N 3.4Å; E16-Q72 PolarHBondContact OE2-N 3.24Å; E16-T73 WeakPolarHBondContact OE2-CB 3.4Å; E16-T73 PolarHBondContact OE2-N 3.14Å; E16-T73 PolarHBondContact OE2-OG1 3.15Å |
| 17 | D | 78.5 | Confident | 73.8 | Confident | 76 Ų | 76 | 88.1 Ų | 88.1 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | trans | -100 | 106.8 | 168.8 | -163.5 | -3.8 | 0 | 0 | 0 | 109.2 | W15 K38 K40 | W15-D17 PolarHBondContact O-N 3.46Å; D17-K38 VanDerWaalsContact OD1-CE 3.26Å; D17-K38 WeakPolarHBondContact OD1-CE 3.18Å; D17-K38 IonicContact OD1-NZ 3.16Å; D17-K38 PolarHBondContact OD1-NZ 2.87Å; D17-K40 IonicContact OD1-NZ 2.84Å; D17-K40 VanDerWaalsContact OD2-CE 3.28Å; D17-K40 WeakPolarHBondContact OD2-CE 3.3Å; D17-K40 IonicContact OD2-NZ 3.5Å; D17-K40 PolarHBondContact OD2-NZ 2.88Å | ||
| 18 | A | 83.2 | Confident | 76 | Confident | 5 Ų | 5 | 85 Ų | 85 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | trans | -108.3 | 140.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | K38 F55 | A18-K38 WeakPolarHBondContact O-CE 3.44Å; A18-K38 PolarHBondContact O-NZ 3.49Å; A18-F55 HydrophobicContact CB-CE2 4.41Å; A18-F55 WeakPolarHBondContact O-CZ 3.5Å | ||
| 19 | D | 88.3 | Confident | 78.2 | Confident | 142 Ų | 142 | 80.4 Ų | 80.4 | 76% | 0.759 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -85.1 | -35.8 | 178.4 | -70.2 | -37.6 | 0 | 0 | 0 | 113.5 | K38 F55 | D19-K38 IonicContact OD1-NZ 3.45Å; D19-K38 PolarHBondContact OD1-NZ 3.39Å; D19-K38 VanDerWaalsContact OD1-NZ 3.16Å; D19-F55 WeakPolarHBondContact O-CE1 3.47Å |
| 20 | F | 91.7 | Very high | 80.1 | Confident | 131 Ų | 131 | 80.4 Ų | 80.4 | 58% | 0.575 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -138.2 | 138.4 | 179.7 | -165.8 | -99.7 | 0 | 0 | 0 | 111.7 | ||
| 21 | P | 94.3 | Very high | 82.2 | Confident | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.013 | 35% | 0.354 | C | S | . | . | trans | -75.3 | 149.1 | -179.6 | 30.7 | -35.7 | 0 | 0 | 0 | 112.8 | L23 M36 F55 T68 | P21-L23 HydrophobicContact CB-CD1 4.07Å; P21-L23 HydrophobicContact CB-CD2 4.31Å; P21-L23 HydrophobicContact CB-CG 3.9Å; P21-L23 HydrophobicContact CG-CD1 3.57Å; P21-L23 HydrophobicContact CG-CG 3.93Å; P21-L23 PolarHBondContact O-N 2.77Å; P21-M36 HydrophobicContact CG-CE 3.8Å; P21-M36 HydrophobicContact CG-SD 3.64Å; P21-F55 HydrophobicContact CB-CB 4.24Å; P21-F55 HydrophobicContact CB-CD2 3.58Å; P21-F55 HydrophobicContact CB-CE2 4.03Å; P21-F55 HydrophobicContact CB-CG 3.96Å; P21-F55 HydrophobicContact CG-CB 3.97Å; P21-F55 HydrophobicContact CG-CD1 4.23Å; P21-F55 HydrophobicContact CG-CD2 3.93Å; P21-F55 HydrophobicContact CG-CE2 4.43Å; P21-F55 HydrophobicContact CG-CG 3.78Å; P21-T68 HydrophobicContact CB-CG2 3.71Å | ||
| 22 | I | 94.5 | Very high | 84 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 18% | 0.179 | 36% | 0.358 | C | S | . | . | trans | -83 | 105.3 | 172.9 | -61.4 | 175.6 | 0 | 0 | 0 | 108.9 | Q72 S75 K76 Q82 L88 | I22-Q72 HydrophobicContact CD1-CG 3.42Å; I22-Q72 VanDerWaalsContact CD1-CG 3.42Å; I22-Q72 HydrophobicContact CG1-CG 3.9Å; I22-S75 WeakPolarHBondContact CB-OG 3.45Å; I22-S75 WeakPolarHBondContact CG2-OG 3.26Å; I22-K76 HydrophobicContact CD1-CD 4.44Å; I22-K76 HydrophobicContact CD1-CG 3.6Å; I22-Q82 HydrophobicContact CB-CG 4.26Å; I22-Q82 VanDerWaalsContact N-OE1 3.15Å; I22-Q82 WeakPolarHBondContact O-CB 3.4Å; I22-Q82 PolarHBondContact O-N 2.94Å; I22-L88 HydrophobicContact CG2-CD1 3.33Å; I22-L88 HydrophobicContact CG2-CD2 4.36Å; I22-L88 HydrophobicContact CG2-CG 4.41Å | ||
| 23 | L | 94.8 | Very high | 85.8 | Confident | 22 Ų | 22 | 75 Ų | 75 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | trans | -130.1 | 157.5 | -173.9 | -60 | 175.6 | 0 | 0 | 0 | 112.1 | P21 L28 M36 W57 T68 Q82 | P21-L23 HydrophobicContact CB-CD1 4.07Å; P21-L23 HydrophobicContact CB-CD2 4.31Å; P21-L23 HydrophobicContact CB-CG 3.9Å; P21-L23 HydrophobicContact CG-CD1 3.57Å; P21-L23 HydrophobicContact CG-CG 3.93Å; P21-L23 PolarHBondContact O-N 2.77Å; L23-L28 HydrophobicContact CD1-CD1 4.23Å; L23-M36 HydrophobicContact CD1-CE 4.1Å; L23-W57 HydrophobicContact CD1-CD2 4.43Å; L23-W57 HydrophobicContact CD1-CE3 4.37Å; L23-W57 HydrophobicContact CD1-CH2 3.36Å; L23-W57 HydrophobicContact CD1-CZ2 3.42Å; L23-W57 VanDerWaalsContact CD1-CZ2 3.42Å; L23-W57 HydrophobicContact CD1-CZ3 3.87Å; L23-W57 HydrophobicContact CD2-CH2 3.43Å; L23-W57 VanDerWaalsContact CD2-CH2 3.43Å; L23-W57 HydrophobicContact CD2-CZ2 3.92Å; L23-W57 HydrophobicContact CD2-CZ3 4.32Å; L23-W57 HydrophobicContact CG-CH2 4.04Å; L23-W57 HydrophobicContact CG-CZ2 4.29Å; L23-T68 HydrophobicContact CD2-CG2 4.45Å; L23-Q82 HydrophobicContact CD2-CB 4.36Å | ||
| 24 | C | 93.5 | Very high | 87.6 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | trans | -98.4 | 159.7 | 171.4 | 66.3 | 0 | 0 | 0 | 0 | 111.3 | T26 C27 L28 C81 L88 | C24-T26 PolarHBondContact O-N 2.85Å; C24-T26 VanDerWaalsContact O-N 3.15Å; C24-T26 PolarHBondContact SG-OG1 3.45Å; C24-C27 PolarHBondContact O-N 2.92Å; C24-C27 PolarHBondContact SG-SG 3.27Å; C24-L28 PolarHBondContact O-N 2.75Å; C24-C81 HydrophobicContact CB-CB 4.11Å; C24-L88 HydrophobicContact CB-CD2 4.1Å | ||
| 25 | Q | 92.5 | Very high | 89.1 | Confident | 133 Ų | 133 | 73.8 Ų | 73.8 | 62% | 0.621 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.8 | -31.9 | -174.5 | -53.1 | -43.6 | 53.7 | 0 | 0 | 112.8 | C27 L28 G29 | Q25-C27 VanDerWaalsContact C-N 3.33Å; Q25-C27 PolarHBondContact O-N 3.35Å; Q25-L28 PolarHBondContact O-N 3.26Å; Q25-G29 PolarHBondContact O-N 3.12Å; Q25-G29 VanDerWaalsContact O-N 3.12Å |
| 26 | T | 93 | Very high | 90.4 | Very high | 24 Ų | 24 | 68.8 Ų | 68.8 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.1 | -36.3 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 112.9 | C24 P155 N160 | C24-T26 PolarHBondContact O-N 2.85Å; C24-T26 VanDerWaalsContact O-N 3.15Å; C24-T26 PolarHBondContact SG-OG1 3.45Å; T26-P155 HydrophobicContact CG2-CB 3.83Å; T26-N160 PolarHBondContact O-ND2 3.24Å; T26-N160 PolarHBondContact O-OD1 3.21Å |
| 27 | C | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -82.8 | -32.3 | -179.2 | -68.4 | 0 | 0 | 0 | 0 | 112.3 | C24 Q25 G29 W57 K66 C84 | C24-C27 PolarHBondContact O-N 2.92Å; C24-C27 PolarHBondContact SG-SG 3.27Å; Q25-C27 VanDerWaalsContact C-N 3.33Å; Q25-C27 PolarHBondContact O-N 3.35Å; C27-G29 VanDerWaalsContact C-N 3.31Å; C27-W57 HydrophobicContact CB-CZ2 4.38Å; C27-W57 PolarHBondContact O-NE1 3.43Å; C27-K66 PolarHBondContact SG-NZ 3.24Å; C27-C84 VanDerWaalsContact SG-CB 3.52Å |
| 28 | L | 93.2 | Very high | 92.3 | Very high | 40 Ų | 40 | 71.7 Ų | 71.7 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.8 | -165.4 | 60.8 | 0 | 0 | 0 | 110.1 | L23 C24 Q25 I34 P59 | L23-L28 HydrophobicContact CD1-CD1 4.23Å; C24-L28 PolarHBondContact O-N 2.75Å; Q25-L28 PolarHBondContact O-N 3.26Å; L28-I34 HydrophobicContact CB-CD1 4.36Å; L28-I34 HydrophobicContact CD1-CD1 3.31Å; L28-I34 HydrophobicContact CD2-CD1 4.16Å; L28-I34 HydrophobicContact CG-CD1 3.28Å; L28-I34 WeakPolarHBondContact O-CD1 3.34Å; L28-P59 WeakPolarHBondContact O-CA 3.43Å |
| 29 | G | 91.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 75.7 Ų | 75.7 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | trans | 113.8 | -176.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q25 C27 P59 | Q25-G29 PolarHBondContact O-N 3.12Å; Q25-G29 VanDerWaalsContact O-N 3.12Å; C27-G29 VanDerWaalsContact C-N 3.31Å; G29-P59 VanDerWaalsContact CA-O 3.3Å; G29-P59 WeakPolarHBondContact CA-O 3.25Å | ||
| 30 | E | 90.6 | Very high | 93 | Very high | 108 Ų | 108 | 74.5 Ų | 74.5 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -82.1 | -22 | -179.2 | 68.7 | -169.1 | 168.1 | 0 | 0 | 112.7 | P32 P59 Y157 | E30-P32 WeakPolarHBondContact O-CD 3.48Å; E30-P59 PolarHBondContact N-O 3.17Å; E30-Y157 HydrophobicContact CB-CD2 4.41Å; E30-Y157 HydrophobicContact CB-CE1 4.29Å; E30-Y157 HydrophobicContact CB-CE2 3.85Å |
| 31 | N | 90.3 | Very high | 92.8 | Very high | 74 Ų | 74 | 71.9 Ų | 71.9 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | trans | -83.3 | 122.7 | -177.6 | -171.5 | -9.5 | 0 | 0 | 0 | 110.5 | Y33 I34 | N31-Y33 VanDerWaalsContact CG-O 3.27Å; N31-Y33 PolarHBondContact ND2-O 3.21Å; N31-Y33 PolarHBondContact O-N 2.86Å; N31-Y33 PolarHBondContact OD1-N 3.29Å; N31-Y33 PolarHBondContact OD1-O 2.9Å; N31-I34 WeakPolarHBondContact O-CD1 3.44Å; N31-I34 WeakPolarHBondContact O-CG1 3.5Å | ||
| 32 | P | 91.9 | Very high | 92.5 | Very high | 109 Ų | 109 | 73.1 Ų | 73.1 | 71% | 0.708 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -67.4 | -22.9 | 175.1 | 26.9 | -34.5 | 0 | 0 | 0 | 113.3 | E30 | E30-P32 WeakPolarHBondContact O-CD 3.48Š|
| 33 | Y | 93 | Very high | 92.3 | Very high | 195 Ų | 195 | 74.9 Ų | 74.9 | 77% | 0.765 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -104.4 | 107.2 | -179.4 | -56.1 | -73.7 | 0 | 0 | 0 | 110.9 | N31 | N31-Y33 VanDerWaalsContact CG-O 3.27Å; N31-Y33 PolarHBondContact ND2-O 3.21Å; N31-Y33 PolarHBondContact O-N 2.86Å; N31-Y33 PolarHBondContact OD1-N 3.29Å; N31-Y33 PolarHBondContact OD1-O 2.9Å |
| 34 | I | 92.4 | Very high | 92.2 | Very high | 49 Ų | 49 | 78.9 Ų | 78.9 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | trans | -117.4 | 131.1 | -171.2 | -60.6 | 169.8 | 0 | 0 | 0 | 110.3 | L28 N31 W57 | L28-I34 HydrophobicContact CB-CD1 4.36Å; L28-I34 HydrophobicContact CD1-CD1 3.31Å; L28-I34 HydrophobicContact CD2-CD1 4.16Å; L28-I34 HydrophobicContact CG-CD1 3.28Å; L28-I34 WeakPolarHBondContact O-CD1 3.34Å; N31-I34 WeakPolarHBondContact O-CD1 3.44Å; N31-I34 WeakPolarHBondContact O-CG1 3.5Å; I34-W57 HydrophobicContact CG2-CB 3.76Å; I34-W57 HydrophobicContact CG2-CG 4.12Å | ||
| 35 | R | 93.2 | Very high | 92.1 | Very high | 190 Ų | 190 | 78 Ų | 78 | 72% | 0.717 | 38% | 0.376 | S | S | * | . | trans | -93.7 | 121.2 | 168 | -66.1 | -172 | -67.3 | 164.8 | -2.9 | 109 | ||||
| 36 | M | 94.2 | Very high | 92.1 | Very high | 54 Ų | 54 | 76 Ų | 76 | 27% | 0.266 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.4 | -177 | -173.3 | 176.3 | -71.4 | 0 | 0 | 110.3 | P21 L23 F55 R56 W57 | P21-M36 HydrophobicContact CG-CE 3.8Å; P21-M36 HydrophobicContact CG-SD 3.64Å; L23-M36 HydrophobicContact CD1-CE 4.1Å; M36-F55 HydrophobicContact CG-CB 4.02Å; M36-F55 HydrophobicContact CG-CD1 4.04Å; M36-F55 HydrophobicContact SD-CB 3.64Å; M36-F55 HydrophobicContact SD-CD1 3.49Å; M36-F55 WeakPolarHBondContact SD-CD1 3.27Å; M36-F55 HydrophobicContact SD-CE1 4.41Å; M36-F55 HydrophobicContact SD-CG 3.87Å; M36-R56 CarbonylContact C-O 3.56Å; M36-R56 WeakPolarHBondContact CA-O 3.28Å; M36-W57 HydrophobicContact CB-CB 4.2Å; M36-W57 HydrophobicContact CE-CB 4.07Å; M36-W57 HydrophobicContact CE-CD2 3.8Å; M36-W57 HydrophobicContact CE-CE3 3.72Å; M36-W57 HydrophobicContact CE-CG 3.95Å; M36-W57 HydrophobicContact CE-CZ3 4.42Å; M36-W57 HydrophobicContact CG-CB 4.21Å |
| 37 | T | 95.1 | Very high | 92 | Very high | 83 Ų | 83 | 75 Ų | 75 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.8 | 172.8 | 59.5 | 0 | 0 | 0 | 0 | 109.5 | F55 R56 | T37-F55 WeakPolarHBondContact O-CA 3.49Å; T37-R56 PolarHBondContact N-O 2.93Å; T37-R56 PolarHBondContact O-N 3.11Å; T37-R56 WeakPolarHBondContact OG1-CB 3.36Å; T37-R56 PolarHBondContact OG1-O 2.75Å |
| 38 | K | 95.1 | Very high | 91.7 | Very high | 79 Ų | 79 | 75 Ų | 75 | 34% | 0.343 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.8 | 173.3 | 178.7 | 174.6 | 169 | 166.5 | 0 | 109.1 | D17 A18 D19 T53 F55 | D17-K38 VanDerWaalsContact OD1-CE 3.26Å; D17-K38 WeakPolarHBondContact OD1-CE 3.18Å; D17-K38 IonicContact OD1-NZ 3.16Å; D17-K38 PolarHBondContact OD1-NZ 2.87Å; A18-K38 WeakPolarHBondContact O-CE 3.44Å; A18-K38 PolarHBondContact O-NZ 3.49Å; D19-K38 IonicContact OD1-NZ 3.45Å; D19-K38 PolarHBondContact OD1-NZ 3.39Å; D19-K38 VanDerWaalsContact OD1-NZ 3.16Å; K38-T53 HydrophobicContact CD-CG2 4.16Å; K38-T53 HydrophobicContact CG-CG2 3.63Å; K38-F55 HydrophobicContact CB-CD1 4.16Å; K38-F55 HydrophobicContact CB-CE1 3.95Å; K38-F55 HydrophobicContact CD-CE1 4.03Å; K38-F55 HydrophobicContact CD-CZ 4.34Å; K38-F55 HydrophobicContact CG-CD1 4.4Å; K38-F55 HydrophobicContact CG-CE1 3.83Å; K38-F55 HydrophobicContact CG-CZ 4.31Å |
| 39 | E | 93.6 | Very high | 91.4 | Very high | 90 Ų | 90 | 75.1 Ų | 75.1 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 105.3 | 176 | -174.4 | -179.3 | -174.2 | 0 | 0 | 108.3 | Y41 V54 | E39-Y41 PolarHBondContact O-N 2.83Å; E39-V54 HydrophobicContact CB-CB 4.48Å; E39-V54 PolarHBondContact N-O 3.42Å; E39-V54 PolarHBondContact O-N 3.19Å |
| 40 | K | 91.5 | Very high | 91.1 | Very high | 116 Ų | 116 | 77 Ų | 77 | 50% | 0.504 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.8 | 178.9 | -62.6 | -167.4 | -178.7 | -168.1 | 0 | 109.1 | D17 G42 | D17-K40 IonicContact OD1-NZ 2.84Å; D17-K40 VanDerWaalsContact OD2-CE 3.28Å; D17-K40 WeakPolarHBondContact OD2-CE 3.3Å; D17-K40 IonicContact OD2-NZ 3.5Å; D17-K40 PolarHBondContact OD2-NZ 2.88Å; K40-G42 PolarHBondContact O-N 3.23Å |
| 41 | Y | 87.7 | Confident | 91.2 | Very high | 76 Ų | 76 | 73.9 Ų | 73.9 | 30% | 0.298 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.7 | 28.2 | 178.6 | -42 | -60.3 | 0 | 0 | 0 | 115.6 | W15 E39 K43 P51 F52 | W15-Y41 HydrophobicContact CB-CD1 4.37Å; W15-Y41 HydrophobicContact CB-CE1 3.44Å; W15-Y41 VanDerWaalsContact CB-CE1 3.44Å; W15-Y41 WeakPolarHBondContact CB-OH 3.17Å; W15-Y41 HydrophobicContact CD2-CE1 4.3Å; W15-Y41 HydrophobicContact CD2-CE2 4.29Å; W15-Y41 HydrophobicContact CE3-CD2 4.28Å; W15-Y41 HydrophobicContact CE3-CE1 4.45Å; W15-Y41 AromaticContact CE3-CE2 3.68Å; W15-Y41 HydrophobicContact CE3-CE2 3.68Å; W15-Y41 AromaticContact CE3-CZ 3.8Å; W15-Y41 HydrophobicContact CG-CD1 4.42Å; W15-Y41 AromaticContact CG-CE1 3.89Å; W15-Y41 HydrophobicContact CG-CE1 3.89Å; W15-Y41 HydrophobicContact CZ3-CE2 4.35Å; E39-Y41 PolarHBondContact O-N 2.83Å; Y41-K43 VanDerWaalsContact C-N 3.34Å; Y41-K43 PolarHBondContact O-N 3.12Å; Y41-P51 HydrophobicContact CD1-CB 4.41Å; Y41-F52 VanDerWaalsContact CA-O 3.29Å; Y41-F52 WeakPolarHBondContact CA-O 3.28Å; Y41-F52 PolarHBondContact N-O 2.84Å |
| 42 | G | 88 | Confident | 91.2 | Very high | 29 Ų | 29 | 70.5 Ų | 70.5 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -27.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | K40 F52 | K40-G42 PolarHBondContact O-N 3.23Å; G42-F52 PolarHBondContact N-O 3.09Å |
| 43 | K | 91.3 | Very high | 91.3 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 156.2 | -179.2 | -65.7 | 179.7 | 175.9 | 126 | 0 | 111.9 | Y41 P51 F52 V54 K67 | Y41-K43 VanDerWaalsContact C-N 3.34Å; Y41-K43 PolarHBondContact O-N 3.12Å; K43-P51 WeakPolarHBondContact O-CA 3.3Å; K43-F52 HydrophobicContact CB-CE1 4.32Å; K43-F52 WeakPolarHBondContact O-CD1 3.11Å; K43-F52 PolarHBondContact O-N 3.29Å; K43-V54 HydrophobicContact CB-CG2 3.59Å; K43-V54 HydrophobicContact CD-CG2 4.3Å; K43-V54 HydrophobicContact CG-CG2 3.87Å; K43-K67 HydrophobicContact CD-CD 4.36Å |
| 44 | E | 91.5 | Very high | 91.4 | Very high | 106 Ų | 106 | 56.1 Ų | 56.1 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 144.1 | 164.7 | 63.3 | 178.9 | -164.3 | 0 | 0 | 111.5 | R50 | E44-R50 CarbonylContact C-O 3.5Å; E44-R50 WeakPolarHBondContact CA-O 3.28Å |
| 45 | C | 91.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | trans | -65.9 | 132.8 | 173.7 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | I47 C48 A49 R50 F52 C71 | C45-I47 PolarHBondContact O-N 2.92Å; C45-C48 WeakPolarHBondContact CB-SG 3.15Å; C45-A49 VanDerWaalsContact O-CA 3.24Å; C45-A49 WeakPolarHBondContact O-CA 3.08Å; C45-A49 PolarHBondContact O-N 3.28Å; C45-R50 WeakPolarHBondContact CB-O 3.39Å; C45-R50 PolarHBondContact N-O 3.11Å; C45-F52 HydrophobicContact CB-CD1 3.95Å; C45-F52 HydrophobicContact CB-CE1 4.21Å; C45-C71 HydrophobicContact CB-CB 4.12Å; C45-C71 PolarHBondContact SG-N 2.78Å; C45-C71 VanDerWaalsContact SG-N 3.37Å | ||
| 46 | K | 91.5 | Very high | 91.7 | Very high | 91 Ų | 91 | 50.1 Ų | 50.1 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.5 | -179.5 | -65.8 | -60.7 | 178.6 | -168 | 0 | 115.3 | E69 I198 K199 | K46-E69 WeakPolarHBondContact CG-O 3.22Å; K46-E69 PolarHBondContact N-O 3.27Å; K46-I198 HydrophobicContact CB-CG2 4.02Å; K46-K199 WeakPolarHBondContact O-CE 3.31Å |
| 47 | I | 90.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -65.4 | 179.8 | -54.1 | -51.2 | 0 | 0 | 0 | 110.6 | C45 V70 K114 K199 Y202 Y203 | C45-I47 PolarHBondContact O-N 2.92Å; I47-V70 HydrophobicContact CG1-CG1 3.74Å; I47-K114 VanDerWaalsContact O-CD 3.28Å; I47-K114 WeakPolarHBondContact O-CD 3.44Å; I47-K114 WeakPolarHBondContact O-CE 3.39Å; I47-K114 PolarHBondContact O-NZ 3.24Å; I47-K199 HydrophobicContact CD1-CG 4.46Å; I47-Y202 HydrophobicContact CB-CD1 4.26Å; I47-Y202 HydrophobicContact CB-CE1 4.16Å; I47-Y202 VanDerWaalsContact CD1-CB 3.49Å; I47-Y202 HydrophobicContact CD1-CD1 3.54Å; I47-Y202 HydrophobicContact CD1-CD2 4.2Å; I47-Y202 HydrophobicContact CD1-CE1 4.29Å; I47-Y202 HydrophobicContact CD1-CG 3.47Å; I47-Y202 VanDerWaalsContact CD1-CG 3.47Å; I47-Y202 HydrophobicContact CG1-CD1 3.64Å; I47-Y202 HydrophobicContact CG1-CD2 4Å; I47-Y202 HydrophobicContact CG1-CE1 3.89Å; I47-Y202 HydrophobicContact CG1-CE2 4.25Å; I47-Y202 HydrophobicContact CG1-CG 3.68Å; I47-Y202 HydrophobicContact CG2-CD1 3.61Å; I47-Y202 HydrophobicContact CG2-CE1 3.29Å; I47-Y202 HydrophobicContact CG2-CG 4.5Å; I47-Y203 WeakPolarHBondContact CG2-OH 3.48Å |
| 48 | C | 87.1 | Confident | 91.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -2.5 | -173.7 | 64.4 | 0 | 0 | 0 | 0 | 114.5 | C45 R50 C71 T118 | C45-C48 WeakPolarHBondContact CB-SG 3.15Å; C48-R50 HydrophobicContact CB-CG 4.41Å; C48-R50 PolarHBondContact O-N 2.77Å; C48-C71 VanDerWaalsContact SG-SG 3.68Å; C48-T118 HydrophobicContact CB-CG2 4.01Å |
| 49 | A | 87.9 | Confident | 91.6 | Very high | 41 Ų | 41 | 42 Ų | 42 | 34% | 0.339 | 21% | 0.206 | S | C | . | . | trans | 56.3 | 16.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | C45 | C45-A49 VanDerWaalsContact O-CA 3.24Å; C45-A49 WeakPolarHBondContact O-CA 3.08Å; C45-A49 PolarHBondContact O-N 3.28Å | ||
| 50 | R | 85.9 | Confident | 91.4 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 19% | 0.189 | 19% | 0.192 | C | C | . | . | trans | -88 | 138.4 | 175.9 | -66.5 | 176.5 | 58.9 | -173.4 | -5.8 | 111.2 | N14 E44 C45 C48 E122 | N14-R50 PolarHBondContact O-NH2 3.3Å; E44-R50 CarbonylContact C-O 3.5Å; E44-R50 WeakPolarHBondContact CA-O 3.28Å; C45-R50 WeakPolarHBondContact CB-O 3.39Å; C45-R50 PolarHBondContact N-O 3.11Å; C48-R50 HydrophobicContact CB-CG 4.41Å; C48-R50 PolarHBondContact O-N 2.77Å; R50-E122 IonicContact CZ-OE1 3.96Å; R50-E122 IonicContact CZ-OE2 2.66Å; R50-E122 IonicContact NH1-OE1 3.9Å; R50-E122 IonicContact NH1-OE2 2.77Å; R50-E122 PolarHBondContact NH1-OE2 3.41Å; R50-E122 IonicContact NH2-OE1 3.69Å; R50-E122 PolarHBondContact NH2-OE1 3.23Å; R50-E122 IonicContact NH2-OE2 3.77Å; R50-E122 PolarHBondContact NH2-OE2 3.16Å | ||
| 51 | P | 90.7 | Very high | 91.2 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 29% | 0.286 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 138.2 | 172.1 | -22.1 | 33.3 | 0 | 0 | 0 | 111.5 | Y41 K43 | Y41-P51 HydrophobicContact CD1-CB 4.41Å; K43-P51 WeakPolarHBondContact O-CA 3.3Å |
| 52 | F | 92.3 | Very high | 91.1 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 167.1 | 179 | 75.1 | -75.4 | 0 | 0 | 0 | 111.9 | Y41 G42 K43 C45 V54 T68 V70 C71 | Y41-F52 VanDerWaalsContact CA-O 3.29Å; Y41-F52 WeakPolarHBondContact CA-O 3.28Å; Y41-F52 PolarHBondContact N-O 2.84Å; G42-F52 PolarHBondContact N-O 3.09Å; K43-F52 HydrophobicContact CB-CE1 4.32Å; K43-F52 WeakPolarHBondContact O-CD1 3.11Å; K43-F52 PolarHBondContact O-N 3.29Å; C45-F52 HydrophobicContact CB-CD1 3.95Å; C45-F52 HydrophobicContact CB-CE1 4.21Å; F52-V54 HydrophobicContact CE1-CG2 4.41Å; F52-V54 HydrophobicContact CE2-CG2 4.34Å; F52-V54 HydrophobicContact CZ-CG2 4.15Å; F52-V54 PolarHBondContact O-N 2.96Å; F52-T68 WeakPolarHBondContact CE2-OG1 3.38Å; F52-V70 WeakPolarHBondContact CE2-O 3.48Å; F52-C71 HydrophobicContact CB-CB 3.59Å; F52-C71 HydrophobicContact CD1-CB 4.37Å; F52-C71 HydrophobicContact CD2-CB 4.15Å; F52-C71 HydrophobicContact CG-CB 3.8Å |
| 53 | T | 93 | Very high | 91.2 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 117.8 | 176.5 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | E16 K38 F55 | E16-T53 PolarHBondContact O-OG1 3.48Å; K38-T53 HydrophobicContact CD-CG2 4.16Å; K38-T53 HydrophobicContact CG-CG2 3.63Å; T53-F55 HydrophobicContact CG2-CD2 4.33Å; T53-F55 HydrophobicContact CG2-CE1 4.39Å; T53-F55 HydrophobicContact CG2-CE2 3.7Å; T53-F55 HydrophobicContact CG2-CZ 3.76Å |
| 54 | V | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.2 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | E39 K43 F52 R56 K67 T68 | E39-V54 HydrophobicContact CB-CB 4.48Å; E39-V54 PolarHBondContact N-O 3.42Å; E39-V54 PolarHBondContact O-N 3.19Å; K43-V54 HydrophobicContact CB-CG2 3.59Å; K43-V54 HydrophobicContact CD-CG2 4.3Å; K43-V54 HydrophobicContact CG-CG2 3.87Å; F52-V54 HydrophobicContact CE1-CG2 4.41Å; F52-V54 HydrophobicContact CE2-CG2 4.34Å; F52-V54 HydrophobicContact CZ-CG2 4.15Å; F52-V54 PolarHBondContact O-N 2.96Å; V54-R56 HydrophobicContact CG1-CG 4.25Å; V54-K67 HydrophobicContact CG1-CB 4.36Å; V54-T68 WeakPolarHBondContact CA-OG1 3.27Å |
| 55 | F | 96.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136 | 172.6 | -63.5 | -89 | 0 | 0 | 0 | 109.3 | A18 D19 P21 M36 T37 K38 T53 W57 K67 T68 | A18-F55 HydrophobicContact CB-CE2 4.41Å; A18-F55 WeakPolarHBondContact O-CZ 3.5Å; D19-F55 WeakPolarHBondContact O-CE1 3.47Å; P21-F55 HydrophobicContact CB-CB 4.24Å; P21-F55 HydrophobicContact CB-CD2 3.58Å; P21-F55 HydrophobicContact CB-CE2 4.03Å; P21-F55 HydrophobicContact CB-CG 3.96Å; P21-F55 HydrophobicContact CG-CB 3.97Å; P21-F55 HydrophobicContact CG-CD1 4.23Å; P21-F55 HydrophobicContact CG-CD2 3.93Å; P21-F55 HydrophobicContact CG-CE2 4.43Å; P21-F55 HydrophobicContact CG-CG 3.78Å; M36-F55 HydrophobicContact CG-CB 4.02Å; M36-F55 HydrophobicContact CG-CD1 4.04Å; M36-F55 HydrophobicContact SD-CB 3.64Å; M36-F55 HydrophobicContact SD-CD1 3.49Å; M36-F55 WeakPolarHBondContact SD-CD1 3.27Å; M36-F55 HydrophobicContact SD-CE1 4.41Å; M36-F55 HydrophobicContact SD-CG 3.87Å; T37-F55 WeakPolarHBondContact O-CA 3.49Å; K38-F55 HydrophobicContact CB-CD1 4.16Å; K38-F55 HydrophobicContact CB-CE1 3.95Å; K38-F55 HydrophobicContact CD-CE1 4.03Å; K38-F55 HydrophobicContact CD-CZ 4.34Å; K38-F55 HydrophobicContact CG-CD1 4.4Å; K38-F55 HydrophobicContact CG-CE1 3.83Å; K38-F55 HydrophobicContact CG-CZ 4.31Å; T53-F55 HydrophobicContact CG2-CD2 4.33Å; T53-F55 HydrophobicContact CG2-CE1 4.39Å; T53-F55 HydrophobicContact CG2-CE2 3.7Å; T53-F55 HydrophobicContact CG2-CZ 3.76Å; F55-W57 HydrophobicContact CB-CE3 4.43Å; F55-W57 HydrophobicContact CB-CZ3 4.32Å; F55-K67 CarbonylContact O-C 3.6Å; F55-K67 WeakPolarHBondContact O-CA 3.42Å; F55-T68 HydrophobicContact CB-CG2 4.03Å; F55-T68 HydrophobicContact CD2-CG2 4.13Å; F55-T68 PolarHBondContact N-OG1 3.06Å; F55-T68 PolarHBondContact O-N 2.78Å; F55-T68 VanDerWaalsContact O-N 3.1Å |
| 56 | R | 95.7 | Very high | 91.4 | Very high | 110 Ų | 110 | 49.1 Ų | 49.1 | 42% | 0.415 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.6 | 172.8 | -51.7 | 175.8 | 60.6 | -148.9 | -3.5 | 110.5 | M36 T37 V54 K66 K67 | M36-R56 CarbonylContact C-O 3.56Å; M36-R56 WeakPolarHBondContact CA-O 3.28Å; T37-R56 PolarHBondContact N-O 2.93Å; T37-R56 PolarHBondContact O-N 3.11Å; T37-R56 WeakPolarHBondContact OG1-CB 3.36Å; T37-R56 PolarHBondContact OG1-O 2.75Å; V54-R56 HydrophobicContact CG1-CG 4.25Å; R56-K66 VanDerWaalsContact CA-O 3.3Å; R56-K66 WeakPolarHBondContact CA-O 3.29Å; R56-K67 HydrophobicContact CG-CB 3.95Å |
| 57 | W | 95.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 163.5 | 179.9 | 69.3 | 103.3 | 0 | 0 | 0 | 111.3 | L23 C27 I34 M36 F55 F65 K66 T68 T83 | L23-W57 HydrophobicContact CD1-CD2 4.43Å; L23-W57 HydrophobicContact CD1-CE3 4.37Å; L23-W57 HydrophobicContact CD1-CH2 3.36Å; L23-W57 HydrophobicContact CD1-CZ2 3.42Å; L23-W57 VanDerWaalsContact CD1-CZ2 3.42Å; L23-W57 HydrophobicContact CD1-CZ3 3.87Å; L23-W57 HydrophobicContact CD2-CH2 3.43Å; L23-W57 VanDerWaalsContact CD2-CH2 3.43Å; L23-W57 HydrophobicContact CD2-CZ2 3.92Å; L23-W57 HydrophobicContact CD2-CZ3 4.32Å; L23-W57 HydrophobicContact CG-CH2 4.04Å; L23-W57 HydrophobicContact CG-CZ2 4.29Å; C27-W57 HydrophobicContact CB-CZ2 4.38Å; C27-W57 PolarHBondContact O-NE1 3.43Å; I34-W57 HydrophobicContact CG2-CB 3.76Å; I34-W57 HydrophobicContact CG2-CG 4.12Å; M36-W57 HydrophobicContact CB-CB 4.2Å; M36-W57 HydrophobicContact CE-CB 4.07Å; M36-W57 HydrophobicContact CE-CD2 3.8Å; M36-W57 HydrophobicContact CE-CE3 3.72Å; M36-W57 HydrophobicContact CE-CG 3.95Å; M36-W57 HydrophobicContact CE-CZ3 4.42Å; M36-W57 HydrophobicContact CG-CB 4.21Å; F55-W57 HydrophobicContact CB-CE3 4.43Å; F55-W57 HydrophobicContact CB-CZ3 4.32Å; W57-F65 CarbonylContact O-C 3.58Å; W57-F65 WeakPolarHBondContact O-CA 3.4Å; W57-K66 HydrophobicContact CD2-CB 4.33Å; W57-K66 HydrophobicContact CH2-CB 4.15Å; W57-K66 HydrophobicContact CZ2-CB 3.76Å; W57-K66 HydrophobicContact CZ2-CD 4.48Å; W57-K66 PolarHBondContact N-O 3.38Å; W57-K66 VanDerWaalsContact N-O 3.11Å; W57-K66 PolarHBondContact O-N 3.38Å; W57-T68 HydrophobicContact CZ3-CG2 4.19Å; W57-T83 VanDerWaalsContact CH2-OG1 3.26Å; W57-T83 WeakPolarHBondContact CH2-OG1 3.46Å |
| 58 | C | 93.4 | Very high | 91.8 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 30% | 0.297 | 22% | 0.223 | S | C | . | . | trans | -104.8 | 115.7 | 171.5 | -167.9 | 0 | 0 | 0 | 0 | 109.3 | G60 F65 | C58-G60 VanDerWaalsContact C-N 3.29Å; C58-G60 PolarHBondContact O-N 3.28Å; C58-G60 PolarHBondContact SG-O 2.85Å; C58-F65 HydrophobicContact CB-CD1 4.09Å; C58-F65 HydrophobicContact CB-CE1 3.82Å; C58-F65 HydrophobicContact CB-CZ 4.12Å | ||
| 59 | P | 92.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | trans | -68.7 | -21.4 | -176.5 | -21.1 | 31.8 | 0 | 0 | 0 | 115.3 | L28 G29 E30 M63 R64 K66 N160 | L28-P59 WeakPolarHBondContact O-CA 3.43Å; G29-P59 VanDerWaalsContact CA-O 3.3Å; G29-P59 WeakPolarHBondContact CA-O 3.25Å; E30-P59 PolarHBondContact N-O 3.17Å; P59-M63 HydrophobicContact CB-CB 4.49Å; P59-R64 WeakPolarHBondContact CD-O 3.25Å; P59-K66 HydrophobicContact CG-CB 4.37Å; P59-K66 HydrophobicContact CG-CD 3.54Å; P59-K66 HydrophobicContact CG-CG 3.68Å; P59-N160 HydrophobicContact CB-CB 4.28Å; P59-N160 HydrophobicContact CG-CB 4.22Å | ||
| 60 | G | 89.6 | Confident | 92.4 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 178.9 | -177.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C58 M63 | C58-G60 VanDerWaalsContact C-N 3.29Å; C58-G60 PolarHBondContact O-N 3.28Å; C58-G60 PolarHBondContact SG-O 2.85Å; G60-M63 WeakPolarHBondContact O-CB 3.44Å; G60-M63 PolarHBondContact O-N 3.49Å |
| 61 | V | 87.8 | Confident | 92.8 | Very high | 116 Ų | 116 | 44.4 Ų | 44.4 | 70% | 0.703 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 135 | 179.6 | -173.9 | 0 | 0 | 0 | 0 | 109 | M63 | V61-M63 PolarHBondContact O-N 3.09Š|
| 62 | R | 85.3 | Confident | 92.8 | Very high | 231 Ų | 231 | 44 Ų | 44 | 87% | 0.872 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 23.8 | -174.6 | -58.6 | 170.8 | -176.5 | -174.5 | -1.2 | 114.5 | P162 | R62-P162 WeakPolarHBondContact O-CD 3.25Š|
| 63 | M | 89.3 | Confident | 92.6 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 19% | 0.192 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -99.2 | 155.9 | 174.8 | -60.4 | -63.5 | 175.7 | 0 | 0 | 111.1 | P59 G60 V61 N160 | P59-M63 HydrophobicContact CB-CB 4.49Å; G60-M63 WeakPolarHBondContact O-CB 3.44Å; G60-M63 PolarHBondContact O-N 3.49Å; V61-M63 PolarHBondContact O-N 3.09Å; M63-N160 HydrophobicContact CB-CB 4.34Å; M63-N160 HydrophobicContact CG-CB 4.22Å; M63-N160 HydrophobicContact SD-CB 3.66Å |
| 64 | R | 92.1 | Very high | 92.5 | Very high | 95 Ų | 95 | 44.2 Ų | 44.2 | 36% | 0.358 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -76.6 | 142.6 | 172.5 | 156 | 176.8 | 177.1 | -136 | -2.6 | 110.2 | P59 K66 N160 P162 H163 | P59-R64 WeakPolarHBondContact CD-O 3.25Å; R64-K66 PolarHBondContact O-N 2.78Å; R64-K66 VanDerWaalsContact O-N 3.15Å; R64-N160 PolarHBondContact N-O 2.79Å; R64-P162 HydrophobicContact CB-CB 3.97Å; R64-H163 PolarHBondContact NH1-CE1 3.38Å; R64-H163 PolarHBondContact NH1-NE2 3.05Å |
| 65 | F | 93.1 | Very high | 92.4 | Very high | 125 Ų | 125 | 44.3 Ų | 44.3 | 55% | 0.548 | 20% | 0.202 | S | C | . | . | P | Polyproline II helix | trans | -56.7 | 119 | 165.9 | -78.4 | -89.9 | 0 | 0 | 0 | 110.7 | W57 C58 | W57-F65 CarbonylContact O-C 3.58Å; W57-F65 WeakPolarHBondContact O-CA 3.4Å; C58-F65 HydrophobicContact CB-CD1 4.09Å; C58-F65 HydrophobicContact CB-CE1 3.82Å; C58-F65 HydrophobicContact CB-CZ 4.12Å |
| 66 | K | 94.2 | Very high | 92.1 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 9% | 0.087 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 156.9 | 174.9 | -62.2 | -168.9 | 84.9 | 170.7 | 0 | 109.6 | C27 R56 W57 P59 R64 T83 N160 | C27-K66 PolarHBondContact SG-NZ 3.24Å; R56-K66 VanDerWaalsContact CA-O 3.3Å; R56-K66 WeakPolarHBondContact CA-O 3.29Å; W57-K66 HydrophobicContact CD2-CB 4.33Å; W57-K66 HydrophobicContact CH2-CB 4.15Å; W57-K66 HydrophobicContact CZ2-CB 3.76Å; W57-K66 HydrophobicContact CZ2-CD 4.48Å; W57-K66 PolarHBondContact N-O 3.38Å; W57-K66 VanDerWaalsContact N-O 3.11Å; W57-K66 PolarHBondContact O-N 3.38Å; P59-K66 HydrophobicContact CG-CB 4.37Å; P59-K66 HydrophobicContact CG-CD 3.54Å; P59-K66 HydrophobicContact CG-CG 3.68Å; R64-K66 PolarHBondContact O-N 2.78Å; R64-K66 VanDerWaalsContact O-N 3.15Å; K66-T83 HydrophobicContact CB-CG2 4.39Å; K66-N160 WeakPolarHBondContact CD-OD1 3.42Å; K66-N160 PolarHBondContact NZ-OD1 3.28Å |
| 67 | K | 94.8 | Very high | 91.8 | Very high | 51 Ų | 51 | 41.5 Ų | 41.5 | 22% | 0.222 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158.6 | 175.8 | 64.4 | 177.7 | -175.4 | 173.7 | 0 | 110 | K43 V54 F55 R56 E69 T83 | K43-K67 HydrophobicContact CD-CD 4.36Å; V54-K67 HydrophobicContact CG1-CB 4.36Å; F55-K67 CarbonylContact O-C 3.6Å; F55-K67 WeakPolarHBondContact O-CA 3.42Å; R56-K67 HydrophobicContact CG-CB 3.95Å; K67-E69 VanDerWaalsContact CE-CD 3.41Å; K67-E69 WeakPolarHBondContact CE-OE1 3.45Å; K67-E69 VanDerWaalsContact CE-OE2 3.27Å; K67-E69 WeakPolarHBondContact CE-OE2 3.24Å; K67-E69 WeakPolarHBondContact CG-OE1 3.09Å; K67-E69 IonicContact NZ-OE1 3.67Å; K67-E69 IonicContact NZ-OE2 2.93Å; K67-T83 WeakPolarHBondContact O-CB 3.32Å; K67-T83 WeakPolarHBondContact O-CG2 3.28Å; K67-T83 PolarHBondContact O-OG1 3.37Å |
| 68 | T | 96 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -71.6 | 136.4 | 167.7 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | P21 L23 F52 V54 F55 W57 Q82 | P21-T68 HydrophobicContact CB-CG2 3.71Å; L23-T68 HydrophobicContact CD2-CG2 4.45Å; F52-T68 WeakPolarHBondContact CE2-OG1 3.38Å; V54-T68 WeakPolarHBondContact CA-OG1 3.27Å; F55-T68 HydrophobicContact CB-CG2 4.03Å; F55-T68 HydrophobicContact CD2-CG2 4.13Å; F55-T68 PolarHBondContact N-OG1 3.06Å; F55-T68 PolarHBondContact O-N 2.78Å; F55-T68 VanDerWaalsContact O-N 3.1Å; W57-T68 HydrophobicContact CZ3-CG2 4.19Å; T68-Q82 HydrophobicContact CG2-CB 3.87Å; T68-Q82 VanDerWaalsContact CG2-OE1 3.25Å | ||
| 69 | E | 94.2 | Very high | 91.4 | Very high | 30 Ų | 30 | 40.8 Ų | 40.8 | 14% | 0.14 | 19% | 0.187 | C | C | . | . | trans | -110.2 | -22.3 | -177.9 | -57.3 | -67.8 | 171.4 | 0 | 0 | 112.2 | K46 K67 Q82 | K46-E69 WeakPolarHBondContact CG-O 3.22Å; K46-E69 PolarHBondContact N-O 3.27Å; K67-E69 VanDerWaalsContact CE-CD 3.41Å; K67-E69 WeakPolarHBondContact CE-OE1 3.45Å; K67-E69 VanDerWaalsContact CE-OE2 3.27Å; K67-E69 WeakPolarHBondContact CE-OE2 3.24Å; K67-E69 WeakPolarHBondContact CG-OE1 3.09Å; K67-E69 IonicContact NZ-OE1 3.67Å; K67-E69 IonicContact NZ-OE2 2.93Å; E69-Q82 PolarHBondContact N-O 3.03Å | ||
| 70 | V | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -127 | 153 | 176.9 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | I47 F52 C74 Q82 L85 | I47-V70 HydrophobicContact CG1-CG1 3.74Å; F52-V70 WeakPolarHBondContact CE2-O 3.48Å; V70-C74 HydrophobicContact CB-CB 4.41Å; V70-Q82 HydrophobicContact CG2-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CG 4.34Å; V70-Q82 PolarHBondContact N-O 2.92Å; V70-L85 HydrophobicContact CB-CD2 4.39Å; V70-L85 HydrophobicContact CG1-CD2 3.75Å; V70-L85 HydrophobicContact CG2-CD2 3.67Å |
| 71 | C | 92.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.034 | 18% | 0.181 | C | C | . | . | trans | -66.8 | 162.6 | 176.6 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | C45 C48 F52 T73 C74 S75 | C45-C71 HydrophobicContact CB-CB 4.12Å; C45-C71 PolarHBondContact SG-N 2.78Å; C45-C71 VanDerWaalsContact SG-N 3.37Å; C48-C71 VanDerWaalsContact SG-SG 3.68Å; F52-C71 HydrophobicContact CB-CB 3.59Å; F52-C71 HydrophobicContact CD1-CB 4.37Å; F52-C71 HydrophobicContact CD2-CB 4.15Å; F52-C71 HydrophobicContact CG-CB 3.8Å; C71-T73 VanDerWaalsContact C-N 3.26Å; C71-T73 PolarHBondContact O-N 3.38Å; C71-C74 PolarHBondContact O-N 2.93Å; C71-C74 PolarHBondContact SG-N 2.83Å; C71-C74 VanDerWaalsContact SG-N 3.36Å; C71-C74 PolarHBondContact SG-SG 2.85Å; C71-S75 WeakPolarHBondContact O-CB 3.34Å; C71-S75 PolarHBondContact O-N 2.82Å | ||
| 72 | Q | 90.8 | Very high | 92 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 17% | 0.168 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -34.2 | 177.7 | -157.9 | -179.9 | 3 | 0 | 0 | 111.3 | E16 I22 S75 K76 Q82 | E16-Q72 WeakPolarHBondContact OE1-CA 3.22Å; E16-Q72 WeakPolarHBondContact OE1-CB 3.38Å; E16-Q72 PolarHBondContact OE1-N 3.4Å; E16-Q72 PolarHBondContact OE2-N 3.24Å; I22-Q72 HydrophobicContact CD1-CG 3.42Å; I22-Q72 VanDerWaalsContact CD1-CG 3.42Å; I22-Q72 HydrophobicContact CG1-CG 3.9Å; Q72-S75 PolarHBondContact O-N 3.27Å; Q72-K76 HydrophobicContact CG-CD 4.29Å; Q72-K76 HydrophobicContact CG-CG 4.37Å; Q72-K76 WeakPolarHBondContact O-CB 3.4Å; Q72-K76 WeakPolarHBondContact O-CG 3.45Å; Q72-K76 PolarHBondContact O-N 3.35Å; Q72-Q82 VanDerWaalsContact N-NE2 3.17Å |
| 73 | T | 89.8 | Confident | 92.5 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 6% | 0.055 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.2 | -54.3 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 112 | E16 C71 S75 K76 L77 E122 I125 | E16-T73 WeakPolarHBondContact OE2-CB 3.4Å; E16-T73 PolarHBondContact OE2-N 3.14Å; E16-T73 PolarHBondContact OE2-OG1 3.15Å; C71-T73 VanDerWaalsContact C-N 3.26Å; C71-T73 PolarHBondContact O-N 3.38Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.24Å; T73-K76 PolarHBondContact O-N 2.98Å; T73-L77 HydrophobicContact CG2-CD1 4.43Å; T73-L77 WeakPolarHBondContact O-CG 3.13Å; T73-L77 PolarHBondContact O-N 3.03Å; T73-E122 HydrophobicContact CG2-CB 3.91Å; T73-E122 HydrophobicContact CG2-CG 4.44Å; T73-I125 HydrophobicContact CG2-CD1 4.04Å |
| 74 | C | 90.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.1 | -35.4 | 177.3 | -71.1 | 0 | 0 | 0 | 0 | 112.4 | V70 C71 Y202 | V70-C74 HydrophobicContact CB-CB 4.41Å; C71-C74 PolarHBondContact O-N 2.93Å; C71-C74 PolarHBondContact SG-N 2.83Å; C71-C74 VanDerWaalsContact SG-N 3.36Å; C71-C74 PolarHBondContact SG-SG 2.85Å; C74-Y202 HydrophobicContact CB-CE2 4.21Å; C74-Y202 WeakPolarHBondContact CB-OH 3.22Å; C74-Y202 PolarHBondContact O-OH 2.95Å; C74-Y202 VanDerWaalsContact O-OH 3.06Å |
| 75 | S | 92.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 175.9 | 165.2 | 0 | 0 | 0 | 0 | 112.4 | I22 C71 Q72 T73 N79 V80 | I22-S75 WeakPolarHBondContact CB-OG 3.45Å; I22-S75 WeakPolarHBondContact CG2-OG 3.26Å; C71-S75 WeakPolarHBondContact O-CB 3.34Å; C71-S75 PolarHBondContact O-N 2.82Å; Q72-S75 PolarHBondContact O-N 3.27Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.24Å; S75-N79 WeakPolarHBondContact O-CA 3.26Å; S75-N79 PolarHBondContact O-N 2.93Å; S75-V80 WeakPolarHBondContact CB-O 3.28Å; S75-V80 PolarHBondContact O-N 3.3Å; S75-V80 PolarHBondContact OG-O 3.22Å |
| 76 | K | 90.4 | Very high | 92.7 | Very high | 42 Ų | 42 | 13.5 Ų | 13.5 | 18% | 0.183 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -67.5 | -42 | 178 | -77.8 | 178.4 | 172.8 | 178.8 | 0 | 112.6 | I22 Q72 T73 K78 N79 I125 G130 P133 | I22-K76 HydrophobicContact CD1-CD 4.44Å; I22-K76 HydrophobicContact CD1-CG 3.6Å; Q72-K76 HydrophobicContact CG-CD 4.29Å; Q72-K76 HydrophobicContact CG-CG 4.37Å; Q72-K76 WeakPolarHBondContact O-CB 3.4Å; Q72-K76 WeakPolarHBondContact O-CG 3.45Å; Q72-K76 PolarHBondContact O-N 3.35Å; T73-K76 PolarHBondContact O-N 2.98Å; K76-K78 PolarHBondContact O-N 3.2Å; K76-N79 PolarHBondContact O-N 2.99Å; K76-I125 HydrophobicContact CB-CD1 4.13Å; K76-I125 HydrophobicContact CD-CG2 3.75Å; K76-G130 WeakPolarHBondContact CE-O 3.44Å; K76-P133 WeakPolarHBondContact O-CB 3.28Å |
| 77 | L | 88.4 | Confident | 92.6 | Very high | 13 Ų | 13 | 12.6 Ų | 12.6 | 7% | 0.068 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -54.8 | -40.8 | 178.4 | -78.1 | 171.8 | 0 | 0 | 0 | 112.7 | T73 Y117 M121 I125 | T73-L77 HydrophobicContact CG2-CD1 4.43Å; T73-L77 WeakPolarHBondContact O-CG 3.13Å; T73-L77 PolarHBondContact O-N 3.03Å; L77-Y117 HydrophobicContact CD1-CE1 4.35Å; L77-M121 HydrophobicContact CD1-CB 4.02Å; L77-M121 HydrophobicContact CD1-CG 4.38Å; L77-M121 HydrophobicContact CD2-CB 3.53Å; L77-M121 HydrophobicContact CD2-CG 3.62Å; L77-M121 HydrophobicContact CD2-SD 3.74Å; L77-M121 HydrophobicContact CG-CB 4.25Å; L77-I125 HydrophobicContact CD2-CD1 4.24Å; L77-I125 HydrophobicContact CG-CD1 4.22Å |
| 78 | K | 89.1 | Confident | 92.4 | Very high | 4 Ų | 4 | 13 Ų | 13 | 2% | 0.017 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 2.6 | -176.4 | -74.7 | -71.5 | -167.9 | 164.9 | 0 | 113.7 | K76 V80 I94 R97 D98 D105 M107 Y202 | K76-K78 PolarHBondContact O-N 3.2Å; K78-V80 VanDerWaalsContact C-N 3.31Å; K78-V80 HydrophobicContact CB-CG1 4.11Å; K78-V80 HydrophobicContact CB-CG2 3.96Å; K78-V80 WeakPolarHBondContact O-CG1 3.48Å; K78-V80 PolarHBondContact O-N 2.72Å; K78-I94 HydrophobicContact CB-CD1 4.39Å; K78-I94 HydrophobicContact CD-CG2 4.29Å; K78-R97 PolarHBondContact O-NH1 3.44Å; K78-R97 PolarHBondContact O-NH2 3.03Å; K78-D98 IonicContact NZ-OD2 3.58Å; K78-D98 PolarHBondContact NZ-OD2 3.43Å; K78-D105 WeakPolarHBondContact CE-OD2 3.36Å; K78-D105 IonicContact NZ-OD1 3.07Å; K78-D105 IonicContact NZ-OD2 3.19Å; K78-D105 PolarHBondContact NZ-OD2 3.23Å; K78-M107 HydrophobicContact CG-CE 4.43Å; K78-Y202 HydrophobicContact CB-CE2 4.2Å; K78-Y202 HydrophobicContact CG-CE2 3.91Å |
| 79 | N | 91.5 | Very high | 92 | Very high | 27 Ų | 27 | 18.2 Ų | 18.2 | 14% | 0.144 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 46.6 | -172.3 | -161.2 | 21.4 | 0 | 0 | 0 | 114.2 | S75 K76 L88 E89 P133 L137 | S75-N79 WeakPolarHBondContact O-CA 3.26Å; S75-N79 PolarHBondContact O-N 2.93Å; K76-N79 PolarHBondContact O-N 2.99Å; N79-L88 PolarHBondContact O-N 3.18Å; N79-E89 PolarHBondContact ND2-OE1 2.72Å; N79-P133 HydrophobicContact CB-CB 4.04Å; N79-P133 HydrophobicContact CB-CG 4.3Å; N79-L137 HydrophobicContact CB-CD2 3.96Å |
| 80 | V | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | B | Isolated β-bridge | trans | -121.6 | 153.8 | -175.5 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | S75 K78 Q82 L85 L86 I94 Y202 | S75-V80 WeakPolarHBondContact CB-O 3.28Å; S75-V80 PolarHBondContact O-N 3.3Å; S75-V80 PolarHBondContact OG-O 3.22Å; K78-V80 VanDerWaalsContact C-N 3.31Å; K78-V80 HydrophobicContact CB-CG1 4.11Å; K78-V80 HydrophobicContact CB-CG2 3.96Å; K78-V80 WeakPolarHBondContact O-CG1 3.48Å; K78-V80 PolarHBondContact O-N 2.72Å; V80-Q82 PolarHBondContact O-N 3.23Å; V80-L85 HydrophobicContact CG2-CD2 4.48Å; V80-L86 CarbonylContact C-O 3.59Å; V80-L86 WeakPolarHBondContact CA-O 3.29Å; V80-L86 WeakPolarHBondContact CB-O 3.29Å; V80-I94 HydrophobicContact CG1-CD1 3.61Å; V80-I94 HydrophobicContact CG1-CG1 3.54Å; V80-I94 HydrophobicContact CG2-CD1 4.44Å; V80-Y202 HydrophobicContact CG2-CE2 4.42Å |
| 81 | C | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | trans | -64.3 | 130.6 | 173.1 | 169.5 | 0 | 0 | 0 | 0 | 112.2 | C24 T83 C84 L85 L86 L88 | C24-C81 HydrophobicContact CB-CB 4.11Å; C81-T83 PolarHBondContact O-N 3.21Å; C81-C84 WeakPolarHBondContact CB-SG 3.36Å; C81-C84 PolarHBondContact SG-SG 3.12Å; C81-L85 WeakPolarHBondContact O-CA 3.16Å; C81-L85 PolarHBondContact O-N 2.99Å; C81-L86 PolarHBondContact N-O 3.4Å; C81-L88 HydrophobicContact CB-CD2 3.86Å | ||
| 82 | Q | 94.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.2 | -177.8 | -75.3 | 178.4 | -28.5 | 0 | 0 | 115.3 | I22 L23 T68 E69 V70 Q72 V80 | I22-Q82 HydrophobicContact CB-CG 4.26Å; I22-Q82 VanDerWaalsContact N-OE1 3.15Å; I22-Q82 WeakPolarHBondContact O-CB 3.4Å; I22-Q82 PolarHBondContact O-N 2.94Å; L23-Q82 HydrophobicContact CD2-CB 4.36Å; T68-Q82 HydrophobicContact CG2-CB 3.87Å; T68-Q82 VanDerWaalsContact CG2-OE1 3.25Å; E69-Q82 PolarHBondContact N-O 3.03Å; V70-Q82 HydrophobicContact CG2-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CG 4.34Å; V70-Q82 PolarHBondContact N-O 2.92Å; Q72-Q82 VanDerWaalsContact N-NE2 3.17Å; V80-Q82 PolarHBondContact O-N 3.23Å |
| 83 | T | 94 | Very high | 91.8 | Very high | 23 Ų | 23 | 17.8 Ų | 17.8 | 14% | 0.141 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -40.3 | -178 | -60 | 0 | 0 | 0 | 0 | 113.6 | W57 K66 K67 C81 | W57-T83 VanDerWaalsContact CH2-OG1 3.26Å; W57-T83 WeakPolarHBondContact CH2-OG1 3.46Å; K66-T83 HydrophobicContact CB-CG2 4.39Å; K67-T83 WeakPolarHBondContact O-CB 3.32Å; K67-T83 WeakPolarHBondContact O-CG2 3.28Å; K67-T83 PolarHBondContact O-OG1 3.37Å; C81-T83 PolarHBondContact O-N 3.21Å |
| 84 | C | 91.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 17.3 Ų | 17.3 | 5% | 0.047 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -9.6 | -175.6 | 69.7 | 0 | 0 | 0 | 0 | 114.8 | C27 C81 L86 R159 R201 | C27-C84 VanDerWaalsContact SG-CB 3.52Å; C81-C84 WeakPolarHBondContact CB-SG 3.36Å; C81-C84 PolarHBondContact SG-SG 3.12Å; C84-L86 HydrophobicContact CB-CG 4.45Å; C84-L86 PolarHBondContact O-N 2.68Å; C84-L86 VanDerWaalsContact O-N 3.17Å; C84-R159 PolarHBondContact SG-NH1 3.17Å; C84-R201 PolarHBondContact O-NH2 2.86Å |
| 85 | L | 93.4 | Very high | 92 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | trans | 55 | 27.8 | -177.4 | -53.2 | -179.8 | 0 | 0 | 0 | 113.6 | V70 V80 C81 I198 Y202 | V70-L85 HydrophobicContact CB-CD2 4.39Å; V70-L85 HydrophobicContact CG1-CD2 3.75Å; V70-L85 HydrophobicContact CG2-CD2 3.67Å; V80-L85 HydrophobicContact CG2-CD2 4.48Å; C81-L85 WeakPolarHBondContact O-CA 3.16Å; C81-L85 PolarHBondContact O-N 2.99Å; L85-I198 HydrophobicContact CD1-CG2 3.49Å; L85-I198 VanDerWaalsContact CD1-CG2 3.49Å; L85-I198 WeakPolarHBondContact CD1-O 3.08Å; L85-Y202 HydrophobicContact CD2-CD2 4.26Å | ||
| 86 | L | 93.7 | Very high | 92 | Very high | 9 Ų | 9 | 19 Ų | 19 | 5% | 0.047 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -98.7 | 150.5 | 169.6 | -59.4 | -163.2 | 0 | 0 | 0 | 109.7 | V80 C81 C84 G91 L92 P93 R159 R201 | V80-L86 CarbonylContact C-O 3.59Å; V80-L86 WeakPolarHBondContact CA-O 3.29Å; V80-L86 WeakPolarHBondContact CB-O 3.29Å; C81-L86 PolarHBondContact N-O 3.4Å; C84-L86 HydrophobicContact CB-CG 4.45Å; C84-L86 PolarHBondContact O-N 2.68Å; C84-L86 VanDerWaalsContact O-N 3.17Å; L86-G91 VanDerWaalsContact CD1-O 3.31Å; L86-G91 WeakPolarHBondContact CD1-O 3.5Å; L86-L92 WeakPolarHBondContact CA-O 3.46Å; L86-P93 HydrophobicContact CD2-CB 4.31Å; L86-P93 HydrophobicContact CD2-CG 4.15Å; L86-R159 VanDerWaalsContact CD1-NH1 3.28Å; L86-R201 VanDerWaalsContact CD2-NH2 3.32Å |
| 87 | D | 92.6 | Very high | 92 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -56.8 | 143.2 | 174.8 | 179.9 | 77.3 | 0 | 0 | 0 | 112.1 | E89 Y90 G91 L92 R97 | D87-E89 WeakPolarHBondContact OD2-CA 3.28Å; D87-E89 WeakPolarHBondContact OD2-CB 3.45Å; D87-E89 PolarHBondContact OD2-N 3.15Å; D87-Y90 VanDerWaalsContact OD2-CD2 3.29Å; D87-Y90 WeakPolarHBondContact OD2-CD2 3.39Å; D87-Y90 PolarHBondContact OD2-N 3.1Å; D87-G91 WeakPolarHBondContact O-CA 3.42Å; D87-G91 PolarHBondContact O-N 2.94Å; D87-G91 VanDerWaalsContact O-N 3.08Å; D87-L92 PolarHBondContact N-O 3.45Å; D87-R97 WeakPolarHBondContact OD1-CD 3.43Å; D87-R97 IonicContact OD1-CZ 3.93Å; D87-R97 IonicContact OD1-NE 3.95Å; D87-R97 IonicContact OD1-NH1 2.67Å; D87-R97 PolarHBondContact OD1-NH1 3.17Å |
| 88 | L | 91 | Very high | 92 | Very high | 60 Ų | 60 | 17.2 Ų | 17.2 | 31% | 0.314 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -23.9 | -177 | -64 | 172.7 | 0 | 0 | 0 | 113.4 | I22 C24 N79 C81 | I22-L88 HydrophobicContact CG2-CD1 3.33Å; I22-L88 HydrophobicContact CG2-CD2 4.36Å; I22-L88 HydrophobicContact CG2-CG 4.41Å; C24-L88 HydrophobicContact CB-CD2 4.1Å; N79-L88 PolarHBondContact O-N 3.18Å; C81-L88 HydrophobicContact CB-CD2 3.86Å |
| 89 | E | 88.2 | Confident | 92 | Very high | 109 Ų | 109 | 19.5 Ų | 19.5 | 51% | 0.509 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -49.4 | -178.2 | -62.3 | 174.7 | -173.6 | 0 | 0 | 111.2 | N79 D87 | N79-E89 PolarHBondContact ND2-OE1 2.72Å; D87-E89 WeakPolarHBondContact OD2-CA 3.28Å; D87-E89 WeakPolarHBondContact OD2-CB 3.45Å; D87-E89 PolarHBondContact OD2-N 3.15Å |
| 90 | Y | 89.3 | Confident | 91.8 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 6% | 0.063 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -18.6 | -173.8 | -53 | -74.6 | 0 | 0 | 0 | 113.5 | D87 L92 R97 L147 L148 A151 | D87-Y90 VanDerWaalsContact OD2-CD2 3.29Å; D87-Y90 WeakPolarHBondContact OD2-CD2 3.39Å; D87-Y90 PolarHBondContact OD2-N 3.1Å; Y90-L92 VanDerWaalsContact C-N 3.29Å; Y90-L92 PolarHBondContact O-N 3.41Å; Y90-R97 HydrophobicContact CD2-CG 4.38Å; Y90-L147 HydrophobicContact CD1-CB 3.78Å; Y90-L147 HydrophobicContact CD2-CB 4.27Å; Y90-L147 HydrophobicContact CD2-CD1 4.02Å; Y90-L147 HydrophobicContact CE1-CB 3.82Å; Y90-L147 HydrophobicContact CE2-CB 4.33Å; Y90-L147 HydrophobicContact CE2-CD1 3.77Å; Y90-L147 HydrophobicContact CG-CB 4.01Å; Y90-L148 HydrophobicContact CD1-CD2 4.34Å; Y90-L148 HydrophobicContact CE1-CD2 4Å; Y90-L148 HydrophobicContact CE1-CG 4.16Å; Y90-A151 HydrophobicContact CD1-CB 4.39Å; Y90-A151 WeakPolarHBondContact O-CB 3.2Å |
| 91 | G | 91.8 | Very high | 91.5 | Very high | 36 Ų | 36 | 20 Ų | 20 | 37% | 0.371 | 12% | 0.121 | S | C | . | . | trans | 68.4 | 28 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L86 D87 | L86-G91 VanDerWaalsContact CD1-O 3.31Å; L86-G91 WeakPolarHBondContact CD1-O 3.5Å; D87-G91 WeakPolarHBondContact O-CA 3.42Å; D87-G91 PolarHBondContact O-N 2.94Å; D87-G91 VanDerWaalsContact O-N 3.08Å | ||
| 92 | L | 92.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | trans | -107.1 | 159.3 | -176.9 | -61.6 | 177.3 | 0 | 0 | 0 | 112 | L86 D87 Y90 V96 L147 L150 L213 | L86-L92 WeakPolarHBondContact CA-O 3.46Å; D87-L92 PolarHBondContact N-O 3.45Å; Y90-L92 VanDerWaalsContact C-N 3.29Å; Y90-L92 PolarHBondContact O-N 3.41Å; L92-V96 HydrophobicContact CD1-CG1 4.25Å; L92-L147 HydrophobicContact CD1-CB 4.32Å; L92-L147 HydrophobicContact CD1-CD2 3.83Å; L92-L150 HydrophobicContact CD1-CB 3.87Å; L92-L150 HydrophobicContact CD2-CB 4.17Å; L92-L213 HydrophobicContact CD2-CD2 3.76Å | ||
| 93 | P | 93.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 26.5 Ų | 26.5 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -60.6 | 149.4 | 170.2 | -21.4 | 33.1 | 0 | 0 | 0 | 112.2 | L86 Q95 V96 R97 V209 A210 L213 | L86-P93 HydrophobicContact CD2-CB 4.31Å; L86-P93 HydrophobicContact CD2-CG 4.15Å; P93-Q95 VanDerWaalsContact C-N 3.32Å; P93-Q95 PolarHBondContact O-N 2.94Å; P93-V96 HydrophobicContact CB-CG2 4.18Å; P93-V96 HydrophobicContact CG-CG2 4.19Å; P93-V96 PolarHBondContact O-N 3.08Å; P93-V96 VanDerWaalsContact O-N 3.09Å; P93-R97 PolarHBondContact O-N 3.43Å; P93-R97 VanDerWaalsContact O-N 3.14Å; P93-V209 HydrophobicContact CG-CB 4.4Å; P93-V209 HydrophobicContact CG-CG1 3.95Å; P93-A210 HydrophobicContact CB-CB 4.08Å; P93-A210 HydrophobicContact CG-CB 4.5Å; P93-L213 HydrophobicContact CG-CD2 4.29Å |
| 94 | I | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -45.1 | -176.6 | -64.6 | 172.7 | 0 | 0 | 0 | 111.1 | K78 V80 V96 R97 D98 Y202 | K78-I94 HydrophobicContact CB-CD1 4.39Å; K78-I94 HydrophobicContact CD-CG2 4.29Å; V80-I94 HydrophobicContact CG1-CD1 3.61Å; V80-I94 HydrophobicContact CG1-CG1 3.54Å; V80-I94 HydrophobicContact CG2-CD1 4.44Å; I94-V96 VanDerWaalsContact C-N 3.29Å; I94-V96 PolarHBondContact O-N 2.93Å; I94-R97 PolarHBondContact O-N 2.68Å; I94-D98 VanDerWaalsContact CG2-OD2 3.26Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.18Å; I94-D98 WeakPolarHBondContact O-CB 3.46Å; I94-D98 VanDerWaalsContact O-CG 3.23Å; I94-D98 PolarHBondContact O-N 2.7Å; I94-Y202 HydrophobicContact CD1-CD2 4.23Å; I94-Y202 VanDerWaalsContact CD1-O 3.25Å; I94-Y202 WeakPolarHBondContact CD1-O 3.37Å |
| 95 | Q | 91.7 | Very high | 89.1 | Confident | 37 Ų | 37 | 35.9 Ų | 35.9 | 17% | 0.173 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.1 | -39.3 | 178.3 | -176.5 | -176.5 | -12.5 | 0 | 0 | 112.6 | P93 A99 G204 A210 D211 | P93-Q95 VanDerWaalsContact C-N 3.32Å; P93-Q95 PolarHBondContact O-N 2.94Å; Q95-A99 WeakPolarHBondContact O-CB 3.37Å; Q95-A99 PolarHBondContact O-N 3.36Å; Q95-G204 WeakPolarHBondContact CG-O 3.29Å; Q95-A210 HydrophobicContact CB-CB 3.69Å; Q95-A210 HydrophobicContact CG-CB 4.01Å; Q95-D211 PolarHBondContact NE2-OD1 3.09Å |
| 96 | V | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.5 | -44.3 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | L92 P93 I94 G100 L147 L150 A210 L213 L214 | L92-V96 HydrophobicContact CD1-CG1 4.25Å; P93-V96 HydrophobicContact CB-CG2 4.18Å; P93-V96 HydrophobicContact CG-CG2 4.19Å; P93-V96 PolarHBondContact O-N 3.08Å; P93-V96 VanDerWaalsContact O-N 3.09Å; I94-V96 VanDerWaalsContact C-N 3.29Å; I94-V96 PolarHBondContact O-N 2.93Å; V96-G100 PolarHBondContact O-N 3.3Å; V96-L147 HydrophobicContact CG1-CD2 4.14Å; V96-L147 WeakPolarHBondContact O-CD2 3.4Å; V96-L150 HydrophobicContact CG1-CD1 3.88Å; V96-A210 HydrophobicContact CG2-CB 3.64Å; V96-L213 HydrophobicContact CG1-CB 4.48Å; V96-L213 HydrophobicContact CG2-CB 3.76Å; V96-L213 HydrophobicContact CG2-CD2 4.11Å; V96-L214 HydrophobicContact CG1-CD2 4.42Å; V96-L214 HydrophobicContact CG2-CG 4.39Å |
| 97 | R | 90 | Very high | 87.7 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.5 | -50.9 | 178.2 | -178.4 | -163.8 | 65.5 | -169.2 | -0.4 | 111.2 | K78 D87 Y90 P93 I94 A99 G100 L101 L147 | K78-R97 PolarHBondContact O-NH1 3.44Å; K78-R97 PolarHBondContact O-NH2 3.03Å; D87-R97 WeakPolarHBondContact OD1-CD 3.43Å; D87-R97 IonicContact OD1-CZ 3.93Å; D87-R97 IonicContact OD1-NE 3.95Å; D87-R97 IonicContact OD1-NH1 2.67Å; D87-R97 PolarHBondContact OD1-NH1 3.17Å; Y90-R97 HydrophobicContact CD2-CG 4.38Å; P93-R97 PolarHBondContact O-N 3.43Å; P93-R97 VanDerWaalsContact O-N 3.14Å; I94-R97 PolarHBondContact O-N 2.68Å; R97-A99 VanDerWaalsContact C-N 3.29Å; R97-A99 PolarHBondContact O-N 3.23Å; R97-G100 CarbonylContact O-C 3.5Å; R97-G100 PolarHBondContact O-N 2.92Å; R97-G100 VanDerWaalsContact O-N 3.1Å; R97-L101 HydrophobicContact CG-CD1 3.81Å; R97-L101 HydrophobicContact CG-CG 4.36Å; R97-L101 WeakPolarHBondContact O-CB 3.33Å; R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 3.25Å; R97-L147 HydrophobicContact CB-CD1 4.42Å; R97-L147 HydrophobicContact CG-CD1 3.93Å |
| 98 | D | 89.7 | Confident | 87.3 | Confident | 15 Ų | 15 | 44.2 Ų | 44.2 | 8% | 0.08 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | -176.2 | -66.9 | 3.7 | 0 | 0 | 0 | 109.8 | K78 I94 L101 S102 F103 | K78-D98 IonicContact NZ-OD2 3.58Å; K78-D98 PolarHBondContact NZ-OD2 3.43Å; I94-D98 VanDerWaalsContact CG2-OD2 3.26Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.18Å; I94-D98 WeakPolarHBondContact O-CB 3.46Å; I94-D98 VanDerWaalsContact O-CG 3.23Å; I94-D98 PolarHBondContact O-N 2.7Å; D98-L101 PolarHBondContact O-N 3.07Å; D98-S102 PolarHBondContact O-N 3.48Å; D98-S102 VanDerWaalsContact O-N 3.08Å; D98-F103 HydrophobicContact CB-CD1 4.49Å; D98-F103 PolarHBondContact O-N 3.15Å |
| 99 | A | 89.4 | Confident | 86.9 | Confident | 52 Ų | 52 | 47.1 Ų | 47.1 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q95 R97 L101 S102 L214 | Q95-A99 WeakPolarHBondContact O-CB 3.37Å; Q95-A99 PolarHBondContact O-N 3.36Å; R97-A99 VanDerWaalsContact C-N 3.29Å; R97-A99 PolarHBondContact O-N 3.23Å; A99-L101 VanDerWaalsContact C-N 3.33Å; A99-L101 PolarHBondContact O-N 3.07Å; A99-S102 PolarHBondContact O-N 3.24Å; A99-L214 HydrophobicContact CB-CD2 3.99Å |
| 100 | G | 87.1 | Confident | 86.9 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.5 | -21.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V96 R97 S144 | V96-G100 PolarHBondContact O-N 3.3Å; R97-G100 CarbonylContact O-C 3.5Å; R97-G100 PolarHBondContact O-N 2.92Å; R97-G100 VanDerWaalsContact O-N 3.1Å; G100-S144 VanDerWaalsContact O-CB 3.26Å; G100-S144 WeakPolarHBondContact O-CB 3.36Å; G100-S144 PolarHBondContact O-OG 3.46Å; G100-S144 VanDerWaalsContact O-OG 3.1Å |
| 101 | L | 87 | Confident | 86.5 | Confident | 25 Ų | 25 | 49.7 Ų | 49.7 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -3.9 | 172.7 | -68.9 | 176.2 | 0 | 0 | 0 | 112.6 | R97 D98 A99 F103 L137 S142 L147 | R97-L101 HydrophobicContact CG-CD1 3.81Å; R97-L101 HydrophobicContact CG-CG 4.36Å; R97-L101 WeakPolarHBondContact O-CB 3.33Å; R97-L101 WeakPolarHBondContact O-CG 3.36Å; R97-L101 PolarHBondContact O-N 3.25Å; D98-L101 PolarHBondContact O-N 3.07Å; A99-L101 VanDerWaalsContact C-N 3.33Å; A99-L101 PolarHBondContact O-N 3.07Å; L101-F103 HydrophobicContact CB-CB 4.08Å; L101-F103 PolarHBondContact O-N 2.67Å; L101-L137 HydrophobicContact CD1-CD1 4.35Å; L101-S142 WeakPolarHBondContact CD2-O 2.9Å; L101-L147 HydrophobicContact CD2-CD1 4.19Å; L101-L147 HydrophobicContact CG-CD1 3.93Å |
| 102 | S | 82.8 | Confident | 86.3 | Confident | 112 Ų | 112 | 52.3 Ų | 52.3 | 78% | 0.783 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 32.9 | -168.3 | -58.4 | 0 | 0 | 0 | 0 | 112.7 | D98 A99 | D98-S102 PolarHBondContact O-N 3.48Å; D98-S102 VanDerWaalsContact O-N 3.08Å; A99-S102 PolarHBondContact O-N 3.24Å |
| 103 | F | 81.8 | Confident | 86 | Confident | 24 Ų | 24 | 56.2 Ų | 56.2 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 124.6 | 179.6 | 178.6 | -112.3 | 0 | 0 | 0 | 109.1 | D98 L101 D105 M136 L137 A140 | D98-F103 HydrophobicContact CB-CD1 4.49Å; D98-F103 PolarHBondContact O-N 3.15Å; L101-F103 HydrophobicContact CB-CB 4.08Å; L101-F103 PolarHBondContact O-N 2.67Å; F103-D105 HydrophobicContact CD1-CB 4.3Å; F103-D105 HydrophobicContact CE1-CB 3.64Å; F103-D105 HydrophobicContact CZ-CB 4.22Å; F103-M136 HydrophobicContact CE2-CB 3.67Å; F103-M136 HydrophobicContact CZ-CB 3.95Å; F103-L137 HydrophobicContact CD1-CD1 4.04Å; F103-L137 HydrophobicContact CE1-CB 4.32Å; F103-L137 HydrophobicContact CE1-CD1 4.15Å; F103-L137 HydrophobicContact CZ-CB 4.38Å; F103-A140 HydrophobicContact CD2-CB 4.42Å |
| 104 | K | 81.4 | Confident | 85.6 | Confident | 178 Ų | 178 | 56.5 Ų | 56.5 | 77% | 0.774 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -103.6 | 117.7 | 171.1 | -68 | -179.9 | -177.4 | 176.6 | 0 | 107.9 | ||
| 105 | D | 79.1 | Confident | 85.2 | Confident | 49 Ų | 49 | 59.9 Ų | 59.9 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -95 | 118.6 | 176.5 | -173.9 | 61.6 | 0 | 0 | 0 | 111 | K78 F103 M107 | K78-D105 WeakPolarHBondContact CE-OD2 3.36Å; K78-D105 IonicContact NZ-OD1 3.07Å; K78-D105 IonicContact NZ-OD2 3.19Å; K78-D105 PolarHBondContact NZ-OD2 3.23Å; F103-D105 HydrophobicContact CD1-CB 4.3Å; F103-D105 HydrophobicContact CE1-CB 3.64Å; F103-D105 HydrophobicContact CZ-CB 4.22Å; D105-M107 PolarHBondContact O-N 3.03Å; D105-M107 VanDerWaalsContact OD2-CB 3.32Å; D105-M107 WeakPolarHBondContact OD2-CB 3.17Å |
| 106 | D | 77.6 | Confident | 85 | Confident | 144 Ų | 144 | 65.2 Ų | 65.2 | 77% | 0.77 | 35% | 0.349 | S | S | * | . | trans | -98.6 | 50.1 | -178.4 | -63 | -36.8 | 0 | 0 | 0 | 111.5 | ||||
| 107 | M | 80.4 | Confident | 84.8 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.069 | 36% | 0.36 | C | S | . | . | trans | -74.7 | 128.1 | 177.2 | -176.6 | 163.9 | 40.3 | 0 | 0 | 111.2 | K78 D105 Y117 Y202 Y203 | K78-M107 HydrophobicContact CG-CE 4.43Å; D105-M107 PolarHBondContact O-N 3.03Å; D105-M107 VanDerWaalsContact OD2-CB 3.32Å; D105-M107 WeakPolarHBondContact OD2-CB 3.17Å; M107-Y117 HydrophobicContact CG-CD1 4.1Å; M107-Y117 HydrophobicContact CG-CE1 3.99Å; M107-Y117 HydrophobicContact SD-CD1 4.42Å; M107-Y117 HydrophobicContact SD-CE1 4.14Å; M107-Y202 HydrophobicContact CE-CD1 3.88Å; M107-Y202 HydrophobicContact CE-CE1 3.12Å; M107-Y202 HydrophobicContact SD-CE1 3.91Å; M107-Y203 HydrophobicContact CE-CD1 3.67Å; M107-Y203 HydrophobicContact CE-CE1 3.65Å; M107-Y203 HydrophobicContact CG-CE1 4.14Å; M107-Y203 HydrophobicContact SD-CE1 4.19Å | ||
| 108 | P | 85 | Confident | 84.6 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 21% | 0.214 | 36% | 0.36 | C | S | . | . | trans | -67.2 | 138.9 | -177.4 | 23.9 | -32.5 | 0 | 0 | 0 | 112.4 | N113 Y117 | P108-N113 HydrophobicContact CB-CB 3.63Å; P108-N113 HydrophobicContact CG-CB 4.2Å; P108-N113 WeakPolarHBondContact CG-O 3.42Å; P108-Y117 HydrophobicContact CG-CD2 4.25Å; P108-Y117 HydrophobicContact CG-CG 3.89Å | ||
| 109 | K | 82.8 | Confident | 84.4 | Confident | 121 Ų | 121 | 69.9 Ų | 69.9 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | trans | -96.4 | -27.5 | -178.3 | -60.9 | 177.2 | -173.9 | 174.5 | 0 | 113.8 | I205 | K109-I205 HydrophobicContact CD-CD1 4.49Š| ||
| 110 | S | 86.3 | Confident | 84.4 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -62.2 | 140.9 | 178.3 | -45.4 | 0 | 0 | 0 | 0 | 110.6 | V112 N113 K114 | S110-V112 PolarHBondContact O-N 2.66Å; S110-N113 PolarHBondContact O-N 3.27Å; S110-K114 WeakPolarHBondContact O-CB 3.19Å; S110-K114 PolarHBondContact O-N 3.01Å |
| 111 | D | 82.3 | Confident | 84.4 | Confident | 106 Ų | 106 | 69.9 Ų | 69.9 | 57% | 0.567 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -57.5 | -49.3 | -170.2 | -69.3 | -43.7 | 0 | 0 | 0 | 113.5 | K114 E115 | D111-K114 PolarHBondContact O-N 3.28Å; D111-K114 IonicContact OD1-NZ 2.79Å; D111-K114 PolarHBondContact OD1-NZ 3.16Å; D111-E115 WeakPolarHBondContact O-CG 3.37Å; D111-E115 PolarHBondContact O-N 3.31Å |
| 112 | V | 86.1 | Confident | 84.3 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 179 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | S110 K114 E115 Y116 | S110-V112 PolarHBondContact O-N 2.66Å; V112-K114 VanDerWaalsContact C-N 3.3Å; V112-K114 PolarHBondContact O-N 3.23Å; V112-E115 PolarHBondContact O-N 3.29Å; V112-Y116 WeakPolarHBondContact O-CB 3.31Å; V112-Y116 PolarHBondContact O-N 3.07Å |
| 113 | N | 87.5 | Confident | 84.5 | Confident | 88 Ų | 88 | 70.4 Ų | 70.4 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | -177.9 | -65.4 | -12.9 | 0 | 0 | 0 | 111.6 | P108 S110 Y117 | P108-N113 HydrophobicContact CB-CB 3.63Å; P108-N113 HydrophobicContact CG-CB 4.2Å; P108-N113 WeakPolarHBondContact CG-O 3.42Å; S110-N113 PolarHBondContact O-N 3.27Å; N113-Y117 WeakPolarHBondContact O-CB 3.49Å; N113-Y117 PolarHBondContact O-N 2.82Å |
| 114 | K | 85.1 | Confident | 84.6 | Confident | 10 Ų | 10 | 73.8 Ų | 73.8 | 4% | 0.043 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 175.4 | 176.1 | -173.5 | 70 | -158.9 | 0 | 111.4 | I47 S110 D111 V112 Y117 T118 Y203 | I47-K114 VanDerWaalsContact O-CD 3.28Å; I47-K114 WeakPolarHBondContact O-CD 3.44Å; I47-K114 WeakPolarHBondContact O-CE 3.39Å; I47-K114 PolarHBondContact O-NZ 3.24Å; S110-K114 WeakPolarHBondContact O-CB 3.19Å; S110-K114 PolarHBondContact O-N 3.01Å; D111-K114 PolarHBondContact O-N 3.28Å; D111-K114 IonicContact OD1-NZ 2.79Å; D111-K114 PolarHBondContact OD1-NZ 3.16Å; V112-K114 VanDerWaalsContact C-N 3.3Å; V112-K114 PolarHBondContact O-N 3.23Å; K114-Y117 PolarHBondContact O-N 3.2Å; K114-T118 WeakPolarHBondContact O-CB 3.49Å; K114-T118 VanDerWaalsContact O-CG2 3.26Å; K114-T118 WeakPolarHBondContact O-CG2 3.33Å; K114-T118 PolarHBondContact O-N 2.83Å; K114-T118 PolarHBondContact O-OG1 2.88Å; K114-Y203 VanDerWaalsContact CD-OH 3.24Å; K114-Y203 WeakPolarHBondContact CD-OH 3.31Å |
| 115 | E | 82.9 | Confident | 84.8 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 34% | 0.336 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 175.7 | -73.5 | 175.2 | -167.1 | 0 | 0 | 111.1 | D111 V112 Y117 T118 Q119 | D111-E115 WeakPolarHBondContact O-CG 3.37Å; D111-E115 PolarHBondContact O-N 3.31Å; V112-E115 PolarHBondContact O-N 3.29Å; E115-Y117 PolarHBondContact O-N 3.19Å; E115-T118 PolarHBondContact O-N 3.29Å; E115-T118 PolarHBondContact O-OG1 3.06Å; E115-Q119 WeakPolarHBondContact O-CB 3.38Å; E115-Q119 PolarHBondContact O-N 3.13Å |
| 116 | Y | 87.2 | Confident | 85.1 | Confident | 148 Ų | 148 | 67.6 Ų | 67.6 | 58% | 0.58 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.2 | -47 | 176.4 | 178.9 | -103.7 | 0 | 0 | 0 | 112.6 | V112 Q119 N120 | V112-Y116 WeakPolarHBondContact O-CB 3.31Å; V112-Y116 PolarHBondContact O-N 3.07Å; Y116-Q119 PolarHBondContact O-N 3.14Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3.3Å; Y116-N120 PolarHBondContact O-N 3.47Å; Y116-N120 PolarHBondContact OH-ND2 3.5Å |
| 117 | Y | 88.6 | Confident | 85.4 | Confident | 57 Ų | 57 | 67 Ų | 67 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 177.8 | -179.7 | -94.7 | 0 | 0 | 0 | 111.5 | L77 M107 P108 N113 K114 E115 Q119 N120 M121 | L77-Y117 HydrophobicContact CD1-CE1 4.35Å; M107-Y117 HydrophobicContact CG-CD1 4.1Å; M107-Y117 HydrophobicContact CG-CE1 3.99Å; M107-Y117 HydrophobicContact SD-CD1 4.42Å; M107-Y117 HydrophobicContact SD-CE1 4.14Å; P108-Y117 HydrophobicContact CG-CD2 4.25Å; P108-Y117 HydrophobicContact CG-CG 3.89Å; N113-Y117 WeakPolarHBondContact O-CB 3.49Å; N113-Y117 PolarHBondContact O-N 2.82Å; K114-Y117 PolarHBondContact O-N 3.2Å; E115-Y117 PolarHBondContact O-N 3.19Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.1Å; Y117-N120 PolarHBondContact O-N 3.32Å; Y117-M121 HydrophobicContact CD1-CG 4.06Å; Y117-M121 HydrophobicContact CD2-CE 4.44Å; Y117-M121 HydrophobicContact CE1-CG 3.72Å; Y117-M121 HydrophobicContact CE2-CE 3.74Å; Y117-M121 HydrophobicContact CE2-CG 4.25Å; Y117-M121 HydrophobicContact CG-CG 4.45Å; Y117-M121 WeakPolarHBondContact O-CB 3.18Å; Y117-M121 WeakPolarHBondContact O-CG 3.38Å; Y117-M121 PolarHBondContact O-N 2.84Å |
| 118 | T | 86.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.2 | -33.9 | -179.8 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | C48 K114 E115 E122 | C48-T118 HydrophobicContact CB-CG2 4.01Å; K114-T118 WeakPolarHBondContact O-CB 3.49Å; K114-T118 VanDerWaalsContact O-CG2 3.26Å; K114-T118 WeakPolarHBondContact O-CG2 3.33Å; K114-T118 PolarHBondContact O-N 2.83Å; K114-T118 PolarHBondContact O-OG1 2.88Å; E115-T118 PolarHBondContact O-N 3.29Å; E115-T118 PolarHBondContact O-OG1 3.06Å; T118-E122 VanDerWaalsContact O-CB 3.3Å; T118-E122 WeakPolarHBondContact O-CB 3.3Å; T118-E122 PolarHBondContact O-N 3.46Å |
| 119 | Q | 86.6 | Confident | 85.4 | Confident | 58 Ų | 58 | 72 Ų | 72 | 27% | 0.271 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 174 | -173.1 | -177.8 | 12.4 | 0 | 0 | 112 | E115 Y116 Y117 R123 | E115-Q119 WeakPolarHBondContact O-CB 3.38Å; E115-Q119 PolarHBondContact O-N 3.13Å; Y116-Q119 PolarHBondContact O-N 3.14Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-Q119 PolarHBondContact O-N 3.1Å; Q119-R123 PolarHBondContact O-N 3.12Å |
| 120 | N | 88.3 | Confident | 85.1 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 19% | 0.187 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.3 | -76.6 | -16.7 | 0 | 0 | 0 | 112 | Y116 Y117 R123 E124 | Y116-N120 WeakPolarHBondContact CE1-ND2 3.3Å; Y116-N120 PolarHBondContact O-N 3.47Å; Y116-N120 PolarHBondContact OH-ND2 3.5Å; Y117-N120 PolarHBondContact O-N 3.32Å; N120-R123 WeakPolarHBondContact O-CB 3.21Å; N120-R123 PolarHBondContact O-N 3.23Å; N120-R123 PolarHBondContact OD1-NH1 3.06Å; N120-R123 PolarHBondContact OD1-NH2 3.49Å; N120-E124 PolarHBondContact O-N 2.91Å |
| 121 | M | 86.6 | Confident | 84.8 | Confident | 29 Ų | 29 | 69.9 Ų | 69.9 | 14% | 0.143 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.4 | -36.9 | 178.1 | -71.4 | -67.7 | 147.7 | 0 | 0 | 112.4 | L77 Y117 R123 E124 I125 | L77-M121 HydrophobicContact CD1-CB 4.02Å; L77-M121 HydrophobicContact CD1-CG 4.38Å; L77-M121 HydrophobicContact CD2-CB 3.53Å; L77-M121 HydrophobicContact CD2-CG 3.62Å; L77-M121 HydrophobicContact CD2-SD 3.74Å; L77-M121 HydrophobicContact CG-CB 4.25Å; Y117-M121 HydrophobicContact CD1-CG 4.06Å; Y117-M121 HydrophobicContact CD2-CE 4.44Å; Y117-M121 HydrophobicContact CE1-CG 3.72Å; Y117-M121 HydrophobicContact CE2-CE 3.74Å; Y117-M121 HydrophobicContact CE2-CG 4.25Å; Y117-M121 HydrophobicContact CG-CG 4.45Å; Y117-M121 WeakPolarHBondContact O-CB 3.18Å; Y117-M121 WeakPolarHBondContact O-CG 3.38Å; Y117-M121 PolarHBondContact O-N 2.84Å; M121-R123 VanDerWaalsContact C-N 3.33Å; M121-R123 PolarHBondContact O-N 3.46Å; M121-E124 PolarHBondContact O-N 3.37Å; M121-I125 WeakPolarHBondContact O-CB 3.43Å; M121-I125 WeakPolarHBondContact O-CD1 3.5Å; M121-I125 WeakPolarHBondContact O-CG1 2.88Å; M121-I125 PolarHBondContact O-N 3.27Å |
| 122 | E | 86 | Confident | 84.7 | Confident | 21 Ų | 21 | 72.1 Ų | 72.1 | 10% | 0.098 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 172.9 | -176.4 | -174.2 | -154.7 | 0 | 0 | 111.7 | R50 T73 T118 E124 I125 S126 | R50-E122 IonicContact CZ-OE1 3.96Å; R50-E122 IonicContact CZ-OE2 2.66Å; R50-E122 IonicContact NH1-OE1 3.9Å; R50-E122 IonicContact NH1-OE2 2.77Å; R50-E122 PolarHBondContact NH1-OE2 3.41Å; R50-E122 IonicContact NH2-OE1 3.69Å; R50-E122 PolarHBondContact NH2-OE1 3.23Å; R50-E122 IonicContact NH2-OE2 3.77Å; R50-E122 PolarHBondContact NH2-OE2 3.16Å; T73-E122 HydrophobicContact CG2-CB 3.91Å; T73-E122 HydrophobicContact CG2-CG 4.44Å; T118-E122 VanDerWaalsContact O-CB 3.3Å; T118-E122 WeakPolarHBondContact O-CB 3.3Å; T118-E122 PolarHBondContact O-N 3.46Å; E122-E124 VanDerWaalsContact C-N 3.32Å; E122-E124 PolarHBondContact O-N 3.26Å; E122-I125 PolarHBondContact O-N 2.85Å; E122-S126 PolarHBondContact O-N 3.39Å; E122-S126 PolarHBondContact O-OG 3.01Å |
| 123 | R | 86.3 | Confident | 84.1 | Confident | 128 Ų | 128 | 68.9 Ų | 68.9 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.2 | -37 | 175.1 | -176.5 | 177.9 | 64.3 | -106.6 | -0.1 | 111.9 | Q119 N120 M121 S126 N127 | Q119-R123 PolarHBondContact O-N 3.12Å; N120-R123 WeakPolarHBondContact O-CB 3.21Å; N120-R123 PolarHBondContact O-N 3.23Å; N120-R123 PolarHBondContact OD1-NH1 3.06Å; N120-R123 PolarHBondContact OD1-NH2 3.49Å; M121-R123 VanDerWaalsContact C-N 3.33Å; M121-R123 PolarHBondContact O-N 3.46Å; R123-S126 WeakPolarHBondContact CA-OG 3.38Å; R123-S126 PolarHBondContact O-OG 3.43Å; R123-N127 PolarHBondContact O-N 3.03Å; R123-N127 PolarHBondContact O-ND2 3.44Å; R123-N127 PolarHBondContact O-OD1 2.83Å |
| 124 | E | 85.3 | Confident | 83.4 | Confident | 94 Ų | 94 | 65.4 Ų | 65.4 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 174.1 | -164.2 | 179.4 | 160.2 | 0 | 0 | 111.3 | N120 M121 E122 N127 S128 V134 | N120-E124 PolarHBondContact O-N 2.91Å; M121-E124 PolarHBondContact O-N 3.37Å; E122-E124 VanDerWaalsContact C-N 3.32Å; E122-E124 PolarHBondContact O-N 3.26Å; E124-N127 PolarHBondContact O-N 3.24Å; E124-N127 VanDerWaalsContact O-N 3.16Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-V134 HydrophobicContact CB-CG1 4.12Å; E124-V134 HydrophobicContact CG-CG1 3.67Å |
| 125 | I | 85.8 | Confident | 82.8 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 6% | 0.062 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 176.2 | -71.4 | 162 | 0 | 0 | 0 | 111.5 | T73 K76 L77 M121 E122 N127 S128 V134 | T73-I125 HydrophobicContact CG2-CD1 4.04Å; K76-I125 HydrophobicContact CB-CD1 4.13Å; K76-I125 HydrophobicContact CD-CG2 3.75Å; L77-I125 HydrophobicContact CD2-CD1 4.24Å; L77-I125 HydrophobicContact CG-CD1 4.22Å; M121-I125 WeakPolarHBondContact O-CB 3.43Å; M121-I125 WeakPolarHBondContact O-CD1 3.5Å; M121-I125 WeakPolarHBondContact O-CG1 2.88Å; M121-I125 PolarHBondContact O-N 3.27Å; E122-I125 PolarHBondContact O-N 2.85Å; I125-N127 PolarHBondContact O-N 3.49Å; I125-S128 WeakPolarHBondContact O-CB 3.37Å; I125-S128 PolarHBondContact O-N 2.8Å; I125-S128 PolarHBondContact O-OG 2.82Å; I125-V134 HydrophobicContact CB-CG2 4.37Å; I125-V134 HydrophobicContact CD1-CB 4.49Å; I125-V134 HydrophobicContact CG1-CB 3.56Å; I125-V134 HydrophobicContact CG1-CG1 3.99Å; I125-V134 HydrophobicContact CG1-CG2 3.67Å |
| 126 | S | 84.2 | Confident | 82.3 | Confident | 85 Ų | 85 | 69.1 Ų | 69.1 | 59% | 0.594 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -64.2 | -25.4 | 176.2 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | E122 R123 S128 | E122-S126 PolarHBondContact O-N 3.39Å; E122-S126 PolarHBondContact O-OG 3.01Å; R123-S126 WeakPolarHBondContact CA-OG 3.38Å; R123-S126 PolarHBondContact O-OG 3.43Å; S126-S128 VanDerWaalsContact C-N 3.34Å |
| 127 | N | 84.8 | Confident | 81.5 | Confident | 133 Ų | 133 | 62.7 Ų | 62.7 | 71% | 0.711 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -3.4 | 175.9 | -61.9 | -14 | 0 | 0 | 0 | 112.8 | R123 E124 I125 | R123-N127 PolarHBondContact O-N 3.03Å; R123-N127 PolarHBondContact O-ND2 3.44Å; R123-N127 PolarHBondContact O-OD1 2.83Å; E124-N127 PolarHBondContact O-N 3.24Å; E124-N127 VanDerWaalsContact O-N 3.16Å; I125-N127 PolarHBondContact O-N 3.49Å |
| 128 | S | 83.6 | Confident | 80.4 | Confident | 41 Ų | 41 | 60.7 Ų | 60.7 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -98.7 | 171.6 | -179.5 | 78.6 | 0 | 0 | 0 | 0 | 112.3 | E124 I125 S126 G130 V134 | E124-S128 PolarHBondContact O-N 3.25Å; I125-S128 WeakPolarHBondContact O-CB 3.37Å; I125-S128 PolarHBondContact O-N 2.8Å; I125-S128 PolarHBondContact O-OG 2.82Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S128-G130 PolarHBondContact O-N 3.49Å; S128-G130 VanDerWaalsContact O-N 3.15Å; S128-G130 PolarHBondContact OG-N 3.03Å; S128-V134 VanDerWaalsContact OG-CG2 3.26Å; S128-V134 WeakPolarHBondContact OG-CG2 3.26Å |
| 129 | D | 81.2 | Confident | 79.5 | Confident | 109 Ų | 109 | 69.5 Ų | 69.5 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | trans | -66.3 | -8.4 | 173.9 | 67.4 | 5.2 | 0 | 0 | 0 | 114.2 | T131 R132 | D129-T131 PolarHBondContact O-N 3.24Å; D129-T131 PolarHBondContact O-OG1 3.26Å; D129-T131 PolarHBondContact OD1-N 2.88Å; D129-R132 PolarHBondContact OD1-N 3.25Å | ||
| 130 | G | 76.6 | Confident | 78.5 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 29% | 0.289 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 65.8 | 4.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | K76 S128 | K76-G130 WeakPolarHBondContact CE-O 3.44Å; S128-G130 PolarHBondContact O-N 3.49Å; S128-G130 VanDerWaalsContact O-N 3.15Å; S128-G130 PolarHBondContact OG-N 3.03Å |
| 131 | T | 80.5 | Confident | 77.5 | Confident | 121 Ų | 121 | 69.6 Ų | 69.6 | 74% | 0.742 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -102.6 | -38.6 | -174.6 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | D129 | D129-T131 PolarHBondContact O-N 3.24Å; D129-T131 PolarHBondContact O-OG1 3.26Å; D129-T131 PolarHBondContact OD1-N 2.88Å |
| 132 | R | 79.1 | Confident | 76.8 | Confident | 154 Ų | 154 | 72.2 Ų | 72.2 | 58% | 0.581 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -94 | 149.6 | 177.9 | -62.1 | -177.4 | 73.5 | 166.8 | 1.1 | 110.7 | D129 V134 | D129-R132 PolarHBondContact OD1-N 3.25Å; R132-V134 PolarHBondContact O-N 3.08Å; R132-V134 VanDerWaalsContact O-N 3.13Å |
| 133 | P | 73.3 | Confident | 76.3 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 14% | 0.143 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 119.2 | 171.6 | 26.4 | -32.6 | 0 | 0 | 0 | 109.2 | K76 N79 L137 | K76-P133 WeakPolarHBondContact O-CB 3.28Å; N79-P133 HydrophobicContact CB-CB 4.04Å; N79-P133 HydrophobicContact CB-CG 4.3Å; P133-L137 HydrophobicContact CB-CD2 4.46Å |
| 134 | V | 73.9 | Confident | 76 | Confident | 16 Ų | 16 | 71.3 Ų | 71.3 | 10% | 0.097 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 137.1 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | E124 I125 S128 R132 | E124-V134 HydrophobicContact CB-CG1 4.12Å; E124-V134 HydrophobicContact CG-CG1 3.67Å; I125-V134 HydrophobicContact CB-CG2 4.37Å; I125-V134 HydrophobicContact CD1-CB 4.49Å; I125-V134 HydrophobicContact CG1-CB 3.56Å; I125-V134 HydrophobicContact CG1-CG1 3.99Å; I125-V134 HydrophobicContact CG1-CG2 3.67Å; S128-V134 VanDerWaalsContact OG-CG2 3.26Å; S128-V134 WeakPolarHBondContact OG-CG2 3.26Å; R132-V134 PolarHBondContact O-N 3.08Å; R132-V134 VanDerWaalsContact O-N 3.13Å |
| 135 | G | 71.6 | Confident | 75.9 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 27% | 0.268 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 110.9 | -168.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L137 G138 | G135-L137 VanDerWaalsContact C-N 3.26Å; G135-L137 PolarHBondContact O-N 3.16Å; G135-G138 PolarHBondContact O-N 2.8Å |
| 136 | M | 72.2 | Confident | 75.9 | Confident | 134 Ų | 134 | 72.4 Ų | 72.4 | 66% | 0.66 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -65.6 | -27.7 | -173.2 | -67.4 | 178.7 | 64.1 | 0 | 0 | 113.5 | F103 G138 K139 | F103-M136 HydrophobicContact CE2-CB 3.67Å; F103-M136 HydrophobicContact CZ-CB 3.95Å; M136-G138 VanDerWaalsContact C-N 3.25Å; M136-G138 PolarHBondContact O-N 3.35Å; M136-K139 WeakPolarHBondContact O-CB 3.32Å; M136-K139 PolarHBondContact O-N 2.98Å |
| 137 | L | 71.7 | Confident | 76 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -59.1 | -38 | 177.7 | -176.6 | 63.9 | 0 | 0 | 0 | 111.8 | N79 L101 F103 P133 G135 K139 A140 | N79-L137 HydrophobicContact CB-CD2 3.96Å; L101-L137 HydrophobicContact CD1-CD1 4.35Å; F103-L137 HydrophobicContact CD1-CD1 4.04Å; F103-L137 HydrophobicContact CE1-CB 4.32Å; F103-L137 HydrophobicContact CE1-CD1 4.15Å; F103-L137 HydrophobicContact CZ-CB 4.38Å; P133-L137 HydrophobicContact CB-CD2 4.46Å; G135-L137 VanDerWaalsContact C-N 3.26Å; G135-L137 PolarHBondContact O-N 3.16Å; L137-K139 PolarHBondContact O-N 2.94Å; L137-K139 VanDerWaalsContact O-N 3.14Å; L137-A140 PolarHBondContact O-N 3.19Å |
| 138 | G | 65.7 | Low | 76.2 | Confident | 15 Ų | 15 | 66.8 Ų | 66.8 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -65.2 | -14.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G135 M136 T141 | G135-G138 PolarHBondContact O-N 2.8Å; M136-G138 VanDerWaalsContact C-N 3.25Å; M136-G138 PolarHBondContact O-N 3.35Å; G138-T141 WeakPolarHBondContact O-CG2 3.17Å |
| 139 | K | 66.6 | Low | 76.4 | Confident | 186 Ų | 186 | 69.1 Ų | 69.1 | 81% | 0.809 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -88.3 | -21.3 | 174.5 | -57.1 | -166.1 | 178 | -163.3 | 0 | 112.9 | M136 L137 | M136-K139 WeakPolarHBondContact O-CB 3.32Å; M136-K139 PolarHBondContact O-N 2.98Å; L137-K139 PolarHBondContact O-N 2.94Å; L137-K139 VanDerWaalsContact O-N 3.14Å |
| 140 | A | 66.4 | Low | 76.7 | Confident | 21 Ų | 21 | 64.8 Ų | 64.8 | 17% | 0.174 | 36% | 0.357 | C | S | . | . | trans | -96.4 | 24.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F103 L137 S142 | F103-A140 HydrophobicContact CD2-CB 4.42Å; L137-A140 PolarHBondContact O-N 3.19Å; A140-S142 PolarHBondContact O-N 2.66Å | ||
| 141 | T | 67.1 | Low | 77.4 | Confident | 74 Ų | 74 | 64.8 Ų | 64.8 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | trans | -72 | 22 | -173.4 | 60.7 | 0 | 0 | 0 | 0 | 114.4 | G138 T143 | G138-T141 WeakPolarHBondContact O-CG2 3.17Å; T141-T143 PolarHBondContact O-N 2.85Å | ||
| 142 | S | 70.4 | Confident | 77.8 | Confident | 84 Ų | 84 | 66 Ų | 66 | 59% | 0.587 | 35% | 0.346 | S | S | * | . | trans | -69.2 | 115.9 | 171.8 | 54.3 | 0 | 0 | 0 | 0 | 109.3 | L101 A140 S144 | L101-S142 WeakPolarHBondContact CD2-O 2.9Å; A140-S142 PolarHBondContact O-N 2.66Å; S142-S144 PolarHBondContact O-N 2.69Å; S142-S144 VanDerWaalsContact O-N 3.17Å | ||
| 143 | T | 76.7 | Confident | 78.2 | Confident | 109 Ų | 109 | 65.5 Ų | 65.5 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | trans | -59.5 | 117.3 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 110 | T141 | T141-T143 PolarHBondContact O-N 2.85Š| ||
| 144 | S | 79.8 | Confident | 79 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 15% | 0.147 | 38% | 0.379 | C | S | . | . | trans | -95.6 | 133.6 | 175.4 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | G100 S142 M146 L147 L148 | G100-S144 VanDerWaalsContact O-CB 3.26Å; G100-S144 WeakPolarHBondContact O-CB 3.36Å; G100-S144 PolarHBondContact O-OG 3.46Å; G100-S144 VanDerWaalsContact O-OG 3.1Å; S142-S144 PolarHBondContact O-N 2.69Å; S142-S144 VanDerWaalsContact O-N 3.17Å; S144-M146 PolarHBondContact O-N 2.85Å; S144-L147 PolarHBondContact O-N 3.1Å; S144-L147 VanDerWaalsContact O-N 3.12Å; S144-L147 WeakPolarHBondContact OG-CD1 3.4Å; S144-L147 WeakPolarHBondContact OG-CG 3.43Å; S144-L148 PolarHBondContact O-N 3.41Å | ||
| 145 | D | 83.1 | Confident | 79.8 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 33% | 0.326 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64 | -31.6 | -177.2 | -171.6 | 36.9 | 0 | 0 | 0 | 111.9 | L147 L148 K149 | D145-L147 PolarHBondContact O-N 3.48Å; D145-L148 PolarHBondContact O-N 3.21Å; D145-K149 WeakPolarHBondContact O-CB 3.25Å; D145-K149 VanDerWaalsContact O-CG 3.28Å; D145-K149 WeakPolarHBondContact O-CG 3.26Å; D145-K149 PolarHBondContact O-N 2.97Å; D145-K149 IonicContact OD1-NZ 2.94Å; D145-K149 WeakPolarHBondContact OD2-CE 3.35Å; D145-K149 IonicContact OD2-NZ 3.09Å; D145-K149 PolarHBondContact OD2-NZ 2.88Å |
| 146 | M | 84.6 | Confident | 80.6 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 34% | 0.335 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.8 | -44.5 | 172.6 | 179.5 | -174 | 165.1 | 0 | 0 | 112 | S144 K149 L150 L214 A217 | S144-M146 PolarHBondContact O-N 2.85Å; M146-K149 PolarHBondContact O-N 3.14Å; M146-L150 HydrophobicContact CE-CD1 4.12Å; M146-L150 HydrophobicContact CG-CD1 4.07Å; M146-L150 WeakPolarHBondContact O-CG 3.44Å; M146-L150 PolarHBondContact O-N 2.98Å; M146-L150 VanDerWaalsContact O-N 3.16Å; M146-L214 HydrophobicContact CE-CD2 3.76Å; M146-A217 HydrophobicContact CE-CB 3.53Å; M146-A217 HydrophobicContact CG-CB 4.41Å |
| 147 | L | 87.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.9 | -40.2 | -178.4 | -65.5 | -179.7 | 0 | 0 | 0 | 111.7 | Y90 L92 V96 R97 L101 S144 D145 K149 L150 A151 | Y90-L147 HydrophobicContact CD1-CB 3.78Å; Y90-L147 HydrophobicContact CD2-CB 4.27Å; Y90-L147 HydrophobicContact CD2-CD1 4.02Å; Y90-L147 HydrophobicContact CE1-CB 3.82Å; Y90-L147 HydrophobicContact CE2-CB 4.33Å; Y90-L147 HydrophobicContact CE2-CD1 3.77Å; Y90-L147 HydrophobicContact CG-CB 4.01Å; L92-L147 HydrophobicContact CD1-CB 4.32Å; L92-L147 HydrophobicContact CD1-CD2 3.83Å; V96-L147 HydrophobicContact CG1-CD2 4.14Å; V96-L147 WeakPolarHBondContact O-CD2 3.4Å; R97-L147 HydrophobicContact CB-CD1 4.42Å; R97-L147 HydrophobicContact CG-CD1 3.93Å; L101-L147 HydrophobicContact CD2-CD1 4.19Å; L101-L147 HydrophobicContact CG-CD1 3.93Å; S144-L147 PolarHBondContact O-N 3.1Å; S144-L147 VanDerWaalsContact O-N 3.12Å; S144-L147 WeakPolarHBondContact OG-CD1 3.4Å; S144-L147 WeakPolarHBondContact OG-CG 3.43Å; D145-L147 PolarHBondContact O-N 3.48Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.42Å; L147-L150 PolarHBondContact O-N 2.92Å; L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3.49Å; L147-A151 PolarHBondContact O-N 3.32Å |
| 148 | L | 88.4 | Confident | 82.3 | Confident | 99 Ų | 99 | 75.2 Ų | 75.2 | 52% | 0.518 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 174.9 | -72.5 | 169.2 | 0 | 0 | 0 | 112.2 | Y90 S144 D145 L150 A151 | Y90-L148 HydrophobicContact CD1-CD2 4.34Å; Y90-L148 HydrophobicContact CE1-CD2 4Å; Y90-L148 HydrophobicContact CE1-CG 4.16Å; S144-L148 PolarHBondContact O-N 3.41Å; D145-L148 PolarHBondContact O-N 3.21Å; L148-L150 VanDerWaalsContact C-N 3.35Å; L148-A151 PolarHBondContact O-N 3.08Å |
| 149 | K | 87 | Confident | 83.4 | Confident | 90 Ų | 90 | 78.9 Ų | 78.9 | 39% | 0.391 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.8 | -32.7 | 177 | -75.5 | 168.8 | 175.9 | 165.5 | 0 | 113.2 | D145 M146 L147 M220 | D145-K149 WeakPolarHBondContact O-CB 3.25Å; D145-K149 VanDerWaalsContact O-CG 3.28Å; D145-K149 WeakPolarHBondContact O-CG 3.26Å; D145-K149 PolarHBondContact O-N 2.97Å; D145-K149 IonicContact OD1-NZ 2.94Å; D145-K149 WeakPolarHBondContact OD2-CE 3.35Å; D145-K149 IonicContact OD2-NZ 3.09Å; D145-K149 PolarHBondContact OD2-NZ 2.88Å; M146-K149 PolarHBondContact O-N 3.14Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.42Å; K149-M220 HydrophobicContact CB-CE 4.4Å; K149-M220 HydrophobicContact CB-SD 4.1Å |
| 150 | L | 88.9 | Confident | 84.5 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -84.5 | -25 | 177.8 | -70.1 | 165.4 | 0 | 0 | 0 | 112.8 | L92 V96 M146 L147 L148 A217 M220 | L92-L150 HydrophobicContact CD1-CB 3.87Å; L92-L150 HydrophobicContact CD2-CB 4.17Å; V96-L150 HydrophobicContact CG1-CD1 3.88Å; M146-L150 HydrophobicContact CE-CD1 4.12Å; M146-L150 HydrophobicContact CG-CD1 4.07Å; M146-L150 WeakPolarHBondContact O-CG 3.44Å; M146-L150 PolarHBondContact O-N 2.98Å; M146-L150 VanDerWaalsContact O-N 3.16Å; L147-L150 PolarHBondContact O-N 2.92Å; L148-L150 VanDerWaalsContact C-N 3.35Å; L150-A217 HydrophobicContact CD1-CB 3.84Å; L150-A217 HydrophobicContact CD2-CB 4.23Å; L150-A217 HydrophobicContact CG-CB 4.45Å; L150-M220 HydrophobicContact CD2-CE 3.37Å; L150-M220 HydrophobicContact CG-CE 3.91Å |
| 151 | A | 90.9 | Very high | 85.7 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 24% | 0.24 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -60.4 | 142 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y90 L147 L148 | Y90-A151 HydrophobicContact CD1-CB 4.39Å; Y90-A151 WeakPolarHBondContact O-CB 3.2Å; L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3.49Å; L147-A151 PolarHBondContact O-N 3.32Å; L148-A151 PolarHBondContact O-N 3.08Å |
| 152 | R | 88.6 | Confident | 86.9 | Confident | 145 Ų | 145 | 71.4 Ų | 71.4 | 55% | 0.547 | 36% | 0.363 | S | S | . | . | trans | -93.6 | 123.9 | 176 | -66.1 | 178.2 | 63.5 | 118.7 | 8.9 | 109.2 | ||||
| 153 | T | 88.4 | Confident | 87.9 | Confident | 144 Ų | 144 | 72.4 Ų | 72.4 | 88% | 0.883 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -76.8 | -29.6 | 172.6 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 154 | T | 90.1 | Very high | 88.7 | Confident | 86 Ų | 86 | 69.7 Ų | 69.7 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -96.6 | 137.1 | -178.8 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | Y156 | T154-Y156 PolarHBondContact O-N 3.13Š|
| 155 | P | 89.1 | Confident | 89.3 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 36% | 0.364 | 33% | 0.332 | S | S | . | . | trans | -67.3 | 136.1 | -179.8 | 27 | -33.9 | 0 | 0 | 0 | 111.7 | T26 Y157 | T26-P155 HydrophobicContact CG2-CB 3.83Å; P155-Y157 HydrophobicContact CB-CD1 4.36Å; P155-Y157 HydrophobicContact CB-CE1 3.77Å; P155-Y157 HydrophobicContact CB-CE2 4.1Å; P155-Y157 HydrophobicContact CG-CD2 4.46Å; P155-Y157 HydrophobicContact CG-CE1 4.16Å; P155-Y157 HydrophobicContact CG-CE2 3.66Å; P155-Y157 VanDerWaalsContact CG-CZ 3.48Å; P155-Y157 WeakPolarHBondContact CG-OH 3.49Å; P155-Y157 PolarHBondContact O-N 3.15Å | ||
| 156 | Y | 89.6 | Confident | 89.8 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 35% | 0.353 | 34% | 0.341 | S | S | . | . | trans | -96 | 76.1 | -179.5 | -171.2 | -118.2 | 0 | 0 | 0 | 112.2 | T154 K158 R159 | T154-Y156 PolarHBondContact O-N 3.13Å; Y156-K158 HydrophobicContact CD1-CB 4.44Å; Y156-K158 HydrophobicContact CD2-CB 4.3Å; Y156-K158 HydrophobicContact CD2-CG 4.49Å; Y156-K158 HydrophobicContact CE1-CB 3.9Å; Y156-K158 HydrophobicContact CE2-CB 3.75Å; Y156-K158 HydrophobicContact CE2-CD 3.72Å; Y156-K158 HydrophobicContact CE2-CG 3.89Å; Y156-K158 PolarHBondContact O-N 2.9Å; Y156-K158 VanDerWaalsContact O-N 3.15Å; Y156-R159 HydrophobicContact CD1-CB 4.3Å; Y156-R159 PolarHBondContact O-N 3.39Å | ||
| 157 | Y | 90.6 | Very high | 90.2 | Very high | 69 Ų | 69 | 71 Ų | 71 | 27% | 0.271 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -66.5 | -13.5 | -177.6 | -59.9 | -50.9 | 0 | 0 | 0 | 114.8 | E30 P155 R159 N160 | E30-Y157 HydrophobicContact CB-CD2 4.41Å; E30-Y157 HydrophobicContact CB-CE1 4.29Å; E30-Y157 HydrophobicContact CB-CE2 3.85Å; P155-Y157 HydrophobicContact CB-CD1 4.36Å; P155-Y157 HydrophobicContact CB-CE1 3.77Å; P155-Y157 HydrophobicContact CB-CE2 4.1Å; P155-Y157 HydrophobicContact CG-CD2 4.46Å; P155-Y157 HydrophobicContact CG-CE1 4.16Å; P155-Y157 HydrophobicContact CG-CE2 3.66Å; P155-Y157 VanDerWaalsContact CG-CZ 3.48Å; P155-Y157 WeakPolarHBondContact CG-OH 3.49Å; P155-Y157 PolarHBondContact O-N 3.15Å; Y157-R159 PolarHBondContact O-N 3.49Å; Y157-N160 WeakPolarHBondContact O-CB 3.5Å; Y157-N160 PolarHBondContact O-N 3.43Å |
| 158 | K | 88.8 | Confident | 90.5 | Very high | 115 Ų | 115 | 76 Ų | 76 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -56.7 | -24.7 | 172.3 | -65.9 | -169.7 | -176.2 | 177.7 | 0 | 112.4 | Y156 N160 R161 | Y156-K158 HydrophobicContact CD1-CB 4.44Å; Y156-K158 HydrophobicContact CD2-CB 4.3Å; Y156-K158 HydrophobicContact CD2-CG 4.49Å; Y156-K158 HydrophobicContact CE1-CB 3.9Å; Y156-K158 HydrophobicContact CE2-CB 3.75Å; Y156-K158 HydrophobicContact CE2-CD 3.72Å; Y156-K158 HydrophobicContact CE2-CG 3.89Å; Y156-K158 PolarHBondContact O-N 2.9Å; Y156-K158 VanDerWaalsContact O-N 3.15Å; K158-N160 VanDerWaalsContact C-N 3.26Å; K158-N160 PolarHBondContact O-N 3.39Å; K158-R161 VanDerWaalsContact O-CB 3.32Å; K158-R161 WeakPolarHBondContact O-CB 3.49Å; K158-R161 WeakPolarHBondContact O-CG 3.35Å; K158-R161 PolarHBondContact O-N 3.2Å |
| 159 | R | 87.8 | Confident | 90.7 | Very high | 92 Ų | 92 | 74.9 Ų | 74.9 | 35% | 0.347 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -64.8 | -26.6 | 173.6 | -174.8 | -178.2 | -62.8 | 165.9 | 6.8 | 113.7 | C84 L86 Y156 Y157 R161 | C84-R159 PolarHBondContact SG-NH1 3.17Å; L86-R159 VanDerWaalsContact CD1-NH1 3.28Å; Y156-R159 HydrophobicContact CD1-CB 4.3Å; Y156-R159 PolarHBondContact O-N 3.39Å; Y157-R159 PolarHBondContact O-N 3.49Å; R159-R161 VanDerWaalsContact C-N 3.3Å |
| 160 | N | 90.7 | Very high | 91 | Very high | 4 Ų | 4 | 77.9 Ų | 77.9 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -87.9 | -4.3 | -176.9 | -60.6 | -17.4 | 0 | 0 | 0 | 112.8 | T26 P59 M63 R64 K66 Y157 K158 | T26-N160 PolarHBondContact O-ND2 3.24Å; T26-N160 PolarHBondContact O-OD1 3.21Å; P59-N160 HydrophobicContact CB-CB 4.28Å; P59-N160 HydrophobicContact CG-CB 4.22Å; M63-N160 HydrophobicContact CB-CB 4.34Å; M63-N160 HydrophobicContact CG-CB 4.22Å; M63-N160 HydrophobicContact SD-CB 3.66Å; R64-N160 PolarHBondContact N-O 2.79Å; K66-N160 WeakPolarHBondContact CD-OD1 3.42Å; K66-N160 PolarHBondContact NZ-OD1 3.28Å; Y157-N160 WeakPolarHBondContact O-CB 3.5Å; Y157-N160 PolarHBondContact O-N 3.43Å; K158-N160 VanDerWaalsContact C-N 3.26Å; K158-N160 PolarHBondContact O-N 3.39Å |
| 161 | R | 91.6 | Very high | 91.2 | Very high | 103 Ų | 103 | 80.3 Ų | 80.3 | 39% | 0.389 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -59 | 146.5 | 176.3 | -73.4 | -176.9 | 178.5 | -169.5 | -5.5 | 110.4 | K158 R159 R182 | K158-R161 VanDerWaalsContact O-CB 3.32Å; K158-R161 WeakPolarHBondContact O-CB 3.49Å; K158-R161 WeakPolarHBondContact O-CG 3.35Å; K158-R161 PolarHBondContact O-N 3.2Å; R159-R161 VanDerWaalsContact C-N 3.3Å; R161-R182 VanDerWaalsContact CD-CZ 3.41Å; R161-R182 VanDerWaalsContact NH1-NH2 3.14Å |
| 162 | P | 92.6 | Very high | 91.3 | Very high | 16 Ų | 16 | 84.9 Ų | 84.9 | 10% | 0.104 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 161 | 175.9 | 25.7 | -30.2 | 0 | 0 | 0 | 111.3 | R62 R64 P180 R182 | R62-P162 WeakPolarHBondContact O-CD 3.25Å; R64-P162 HydrophobicContact CB-CB 3.97Å; P162-P180 WeakPolarHBondContact CB-O 3.5Å; P162-P180 VanDerWaalsContact CG-O 3.25Å; P162-P180 WeakPolarHBondContact CG-O 3.35Å; P162-R182 HydrophobicContact CG-CG 4.04Å; P162-R182 WeakPolarHBondContact O-CD 3.39Å |
| 163 | H | 91.5 | Very high | 91.5 | Very high | 105 Ų | 105 | 79.3 Ų | 79.3 | 49% | 0.486 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 158.8 | 175.3 | -67.8 | -40.7 | 0 | 0 | 0 | 110.7 | R64 Y181 R182 | R64-H163 PolarHBondContact NH1-CE1 3.38Å; R64-H163 PolarHBondContact NH1-NE2 3.05Å; H163-Y181 HydrophobicContact CB-CD1 4.2Å; H163-Y181 WeakPolarHBondContact O-CB 3.44Å; H163-R182 PolarHBondContact O-N 3.12Å |
| 164 | I | 92.3 | Very high | 91.7 | Very high | 52 Ų | 52 | 82.6 Ų | 82.6 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -65.6 | 138.7 | 172 | -59.9 | 114.3 | 0 | 0 | 0 | 109.2 | S166 V169 E184 P186 | I164-S166 PolarHBondContact O-N 3.49Å; I164-V169 HydrophobicContact CG2-CG2 3.59Å; I164-E184 HydrophobicContact CG1-CG 3.94Å; I164-E184 WeakPolarHBondContact CG2-O 3.49Å; I164-P186 HydrophobicContact CB-CG 4.5Å; I164-P186 HydrophobicContact CD1-CB 4.12Å; I164-P186 HydrophobicContact CG2-CG 3.99Å |
| 165 | C | 93.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 83.4 Ų | 83.4 | 1% | 0.014 | 40% | 0.399 | C | S | . | . | trans | -70.4 | 110.3 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | F167 W168 V169 R182 | C165-F167 PolarHBondContact O-N 3.42Å; C165-W168 HydrophobicContact CB-CB 3.7Å; C165-W168 PolarHBondContact O-N 3.36Å; C165-V169 WeakPolarHBondContact O-CG2 3.34Å; C165-V169 PolarHBondContact O-N 3.24Å; C165-V169 VanDerWaalsContact O-N 3.1Å; C165-R182 WeakPolarHBondContact CB-O 3.34Å; C165-R182 PolarHBondContact N-O 3.35Å | ||
| 166 | S | 92.1 | Very high | 91.7 | Very high | 72 Ų | 72 | 82.6 Ų | 82.6 | 50% | 0.503 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.2 | -35.5 | 176.6 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | I164 W168 V169 K170 | I164-S166 PolarHBondContact O-N 3.49Å; S166-W168 VanDerWaalsContact C-N 3.35Å; S166-V169 PolarHBondContact O-N 2.87Å; S166-K170 WeakPolarHBondContact O-CG 3.42Å; S166-K170 PolarHBondContact O-N 3.32Å |
| 167 | F | 93.7 | Very high | 91.7 | Very high | 105 Ų | 105 | 88.1 Ų | 88.1 | 46% | 0.461 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.3 | -33.6 | 175.9 | -65.6 | -81.4 | 0 | 0 | 0 | 112.6 | C165 K170 G171 E172 C173 | C165-F167 PolarHBondContact O-N 3.42Å; F167-K170 PolarHBondContact O-N 3.32Å; F167-G171 PolarHBondContact O-N 3.18Å; F167-G171 VanDerWaalsContact O-N 3.09Å; F167-E172 PolarHBondContact O-N 3.39Å; F167-C173 HydrophobicContact CB-CB 4.12Å; F167-C173 PolarHBondContact O-N 3.49Å |
| 168 | W | 94.3 | Very high | 91.7 | Very high | 104 Ų | 104 | 93.1 Ų | 93.1 | 39% | 0.394 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.6 | -39.5 | 177 | -177.7 | 85.5 | 0 | 0 | 0 | 111.1 | C165 S166 K170 G171 C173 H183 E184 | C165-W168 HydrophobicContact CB-CB 3.7Å; C165-W168 PolarHBondContact O-N 3.36Å; S166-W168 VanDerWaalsContact C-N 3.35Å; W168-K170 PolarHBondContact O-N 2.95Å; W168-G171 PolarHBondContact O-N 2.89Å; W168-C173 HydrophobicContact CB-CB 3.88Å; W168-H183 WeakPolarHBondContact CB-CD2 3.26Å; W168-H183 AromaticContact CD1-CD2 3.51Å; W168-H183 AromaticContact CD1-CE1 3.96Å; W168-H183 AromaticContact CD1-CG 3.38Å; W168-H183 AromaticContact CD1-ND1 3.69Å; W168-H183 AromaticContact CD1-NE2 3.88Å; W168-H183 HydrophobicContact CD2-CB 3.83Å; W168-H183 HydrophobicContact CG-CB 3.85Å; W168-H183 AromaticContact CG-CD2 3.38Å; W168-H183 AromaticContact CG-CG 3.61Å; W168-H183 AromaticContact CG-NE2 3.99Å; W168-H183 HydrophobicContact CZ2-CB 4.31Å; W168-H183 AromaticContact NE1-CG 3.78Å; W168-E184 VanDerWaalsContact CZ3-O 3.25Å; W168-E184 WeakPolarHBondContact CZ3-O 3.33Å |
| 169 | V | 92.7 | Very high | 91.8 | Very high | 76 Ų | 76 | 88.3 Ų | 88.3 | 46% | 0.461 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.8 | -33.3 | 173.9 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | I164 C165 S166 P186 | I164-V169 HydrophobicContact CG2-CG2 3.59Å; C165-V169 WeakPolarHBondContact O-CG2 3.34Å; C165-V169 PolarHBondContact O-N 3.24Å; C165-V169 VanDerWaalsContact O-N 3.1Å; S166-V169 PolarHBondContact O-N 2.87Å; V169-P186 HydrophobicContact CG1-CG 4.24Å; V169-P186 HydrophobicContact CG2-CG 3.55Å |
| 170 | K | 93.3 | Very high | 91.8 | Very high | 153 Ų | 153 | 88 Ų | 88 | 67% | 0.665 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.9 | 173.4 | -66.6 | 177.9 | -179.9 | -171.6 | 0 | 114.4 | S166 F167 W168 E172 | S166-K170 WeakPolarHBondContact O-CG 3.42Å; S166-K170 PolarHBondContact O-N 3.32Å; F167-K170 PolarHBondContact O-N 3.32Å; W168-K170 PolarHBondContact O-N 2.95Å; K170-E172 HydrophobicContact CB-CG 4.49Å |
| 171 | G | 91.8 | Very high | 91.9 | Very high | 68 Ų | 68 | 92.9 Ų | 92.9 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 7.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F167 W168 | F167-G171 PolarHBondContact O-N 3.18Å; F167-G171 VanDerWaalsContact O-N 3.09Å; W168-G171 PolarHBondContact O-N 2.89Å |
| 172 | E | 93.5 | Very high | 91.9 | Very high | 126 Ų | 126 | 90.9 Ų | 90.9 | 59% | 0.589 | 46% | 0.458 | S | S | * | . | trans | -105.6 | 10.9 | -172.7 | -62.4 | 179.1 | 162.6 | 0 | 0 | 114 | F167 K170 K174 | F167-E172 PolarHBondContact O-N 3.39Å; K170-E172 HydrophobicContact CB-CG 4.49Å; E172-K174 PolarHBondContact O-N 3.18Å | ||
| 173 | C | 92.8 | Very high | 91.9 | Very high | 27 Ų | 27 | 93.3 Ų | 93.3 | 18% | 0.182 | 47% | 0.468 | C | S | . | . | trans | -72.6 | 97.9 | -176.5 | -169.4 | 0 | 0 | 0 | 0 | 112.3 | F167 W168 R175 H183 | F167-C173 HydrophobicContact CB-CB 4.12Å; F167-C173 PolarHBondContact O-N 3.49Å; W168-C173 HydrophobicContact CB-CB 3.88Å; C173-R175 VanDerWaalsContact C-N 3.28Å; C173-R175 PolarHBondContact O-N 2.93Å; C173-H183 PolarHBondContact SG-NE2 3.44Å | ||
| 174 | K | 93.3 | Very high | 91.9 | Very high | 213 Ų | 213 | 91.3 Ų | 91.3 | 93% | 0.926 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.2 | 176.6 | -61.7 | -174.8 | -179.1 | -178 | 0 | 115.1 | E172 | E172-K174 PolarHBondContact O-N 3.18Š|
| 175 | R | 91 | Very high | 91.7 | Very high | 104 Ų | 104 | 95.8 Ų | 95.8 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -12.9 | -176.7 | -67.4 | -176.6 | -65.1 | -164.6 | -4.7 | 114 | C173 E177 E178 C179 Y181 | C173-R175 VanDerWaalsContact C-N 3.28Å; C173-R175 PolarHBondContact O-N 2.93Å; R175-E177 PolarHBondContact O-N 3.29Å; R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 3.28Å; R175-E178 VanDerWaalsContact O-N 3.07Å; R175-C179 HydrophobicContact CB-CB 3.85Å; R175-C179 PolarHBondContact NH2-SG 2.89Å; R175-Y181 VanDerWaalsContact NH2-CD2 3.28Å |
| 176 | G | 88.5 | Confident | 91.4 | Very high | 39 Ų | 39 | 98 Ų | 98 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | 51 | -130.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E178 C179 H183 | G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 2.69Å; G176-C179 VanDerWaalsContact O-CB 3.28Å; G176-C179 WeakPolarHBondContact O-CB 3.4Å; G176-C179 PolarHBondContact O-N 2.68Å; G176-H183 PolarHBondContact O-CE1 3.03Å |
| 177 | E | 88.2 | Confident | 91.1 | Very high | 205 Ų | 205 | 98.8 Ų | 98.8 | 96% | 0.958 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -72.2 | -16.9 | -179.1 | -58.7 | -167.1 | 159.8 | 0 | 0 | 114.5 | R175 C179 | R175-E177 PolarHBondContact O-N 3.29Å; E177-C179 PolarHBondContact O-N 2.94Å |
| 178 | E | 90.9 | Very high | 90.6 | Very high | 175 Ų | 175 | 97.8 Ų | 97.8 | 82% | 0.818 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -78.6 | -8.9 | 175.9 | -161.4 | -175.9 | 173.3 | 0 | 0 | 112 | R175 G176 P180 | R175-E178 WeakPolarHBondContact O-CB 3.48Å; R175-E178 PolarHBondContact O-N 3.28Å; R175-E178 VanDerWaalsContact O-N 3.07Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 2.69Å; E178-P180 VanDerWaalsContact O-CD 3.28Å; E178-P180 WeakPolarHBondContact O-CD 3.37Å |
| 179 | C | 90.6 | Very high | 90 | Very high | 14 Ų | 14 | 97.8 Ų | 97.8 | 10% | 0.095 | 51% | 0.505 | C | S | . | . | trans | -61.5 | 119.6 | 179.3 | -169 | 0 | 0 | 0 | 0 | 110.9 | R175 G176 E177 Y181 H183 | R175-C179 HydrophobicContact CB-CB 3.85Å; R175-C179 PolarHBondContact NH2-SG 2.89Å; G176-C179 VanDerWaalsContact O-CB 3.28Å; G176-C179 WeakPolarHBondContact O-CB 3.4Å; G176-C179 PolarHBondContact O-N 2.68Å; E177-C179 PolarHBondContact O-N 2.94Å; C179-Y181 PolarHBondContact O-N 3.39Å; C179-Y181 VanDerWaalsContact O-N 3.09Å; C179-H183 WeakPolarHBondContact CB-NE2 3.5Å; C179-H183 PolarHBondContact SG-NE2 3.43Å; C179-H183 VanDerWaalsContact SG-NE2 3.36Å | ||
| 180 | P | 89.1 | Confident | 89.5 | Confident | 85 Ų | 85 | 101.3 Ų | 101.3 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -72.7 | -2.7 | 179.5 | 29.5 | -35.3 | 0 | 0 | 0 | 113.4 | P162 E178 | P162-P180 WeakPolarHBondContact CB-O 3.5Å; P162-P180 VanDerWaalsContact CG-O 3.25Å; P162-P180 WeakPolarHBondContact CG-O 3.35Å; E178-P180 VanDerWaalsContact O-CD 3.28Å; E178-P180 WeakPolarHBondContact O-CD 3.37Å |
| 181 | Y | 92.2 | Very high | 89 | Confident | 107 Ų | 107 | 96.4 Ų | 96.4 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -103 | 157.4 | 179.5 | -62.4 | -86.8 | 0 | 0 | 0 | 110.3 | H163 R175 C179 | H163-Y181 HydrophobicContact CB-CD1 4.2Å; H163-Y181 WeakPolarHBondContact O-CB 3.44Å; R175-Y181 VanDerWaalsContact NH2-CD2 3.28Å; C179-Y181 PolarHBondContact O-N 3.39Å; C179-Y181 VanDerWaalsContact O-N 3.09Å |
| 182 | R | 91.7 | Very high | 88.4 | Confident | 61 Ų | 61 | 97.7 Ų | 97.7 | 23% | 0.23 | 50% | 0.499 | C | S | . | . | B | Isolated β-bridge | trans | -76.4 | 139.1 | -178.9 | -78 | 156.1 | 80.3 | -162.5 | 4.5 | 112.3 | R161 P162 H163 C165 E184 | R161-R182 VanDerWaalsContact CD-CZ 3.41Å; R161-R182 VanDerWaalsContact NH1-NH2 3.14Å; P162-R182 HydrophobicContact CG-CG 4.04Å; P162-R182 WeakPolarHBondContact O-CD 3.39Å; H163-R182 PolarHBondContact O-N 3.12Å; C165-R182 WeakPolarHBondContact CB-O 3.34Å; C165-R182 PolarHBondContact N-O 3.35Å; R182-E184 HydrophobicContact CB-CG 3.97Å; R182-E184 IonicContact CZ-OE1 3.85Å; R182-E184 IonicContact CZ-OE2 2.67Å; R182-E184 IonicContact NE-OE1 2.69Å; R182-E184 PolarHBondContact NE-OE1 3.01Å; R182-E184 IonicContact NE-OE2 3.06Å; R182-E184 PolarHBondContact NE-OE2 3.43Å; R182-E184 IonicContact NH1-OE1 2.69Å; R182-E184 PolarHBondContact NH1-OE1 2.68Å; R182-E184 IonicContact NH2-OE1 3.12Å; R182-E184 PolarHBondContact NH2-OE1 2.95Å; R182-E184 IonicContact NH2-OE2 2.62Å; R182-E184 PolarHBondContact NH2-OE2 3.36Å |
| 183 | H | 93.1 | Very high | 87.7 | Confident | 66 Ų | 66 | 94.6 Ų | 94.6 | 31% | 0.306 | 49% | 0.486 | S | S | . | . | trans | -101 | 76.2 | 171.6 | -68.7 | 172.1 | 0 | 0 | 0 | 108.9 | W168 C173 G176 C179 | W168-H183 WeakPolarHBondContact CB-CD2 3.26Å; W168-H183 AromaticContact CD1-CD2 3.51Å; W168-H183 AromaticContact CD1-CE1 3.96Å; W168-H183 AromaticContact CD1-CG 3.38Å; W168-H183 AromaticContact CD1-ND1 3.69Å; W168-H183 AromaticContact CD1-NE2 3.88Å; W168-H183 HydrophobicContact CD2-CB 3.83Å; W168-H183 HydrophobicContact CG-CB 3.85Å; W168-H183 AromaticContact CG-CD2 3.38Å; W168-H183 AromaticContact CG-CG 3.61Å; W168-H183 AromaticContact CG-NE2 3.99Å; W168-H183 HydrophobicContact CZ2-CB 4.31Å; W168-H183 AromaticContact NE1-CG 3.78Å; C173-H183 PolarHBondContact SG-NE2 3.44Å; G176-H183 PolarHBondContact O-CE1 3.03Å; C179-H183 WeakPolarHBondContact CB-NE2 3.5Å; C179-H183 PolarHBondContact SG-NE2 3.43Å; C179-H183 VanDerWaalsContact SG-NE2 3.36Å | ||
| 184 | E | 90.3 | Very high | 86.8 | Confident | 64 Ų | 64 | 95.3 Ų | 95.3 | 30% | 0.299 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -147.3 | 159.9 | 179.1 | 65.4 | -179.5 | -157.1 | 0 | 0 | 109.5 | I164 W168 R182 | I164-E184 HydrophobicContact CG1-CG 3.94Å; I164-E184 WeakPolarHBondContact CG2-O 3.49Å; W168-E184 VanDerWaalsContact CZ3-O 3.25Å; W168-E184 WeakPolarHBondContact CZ3-O 3.33Å; R182-E184 HydrophobicContact CB-CG 3.97Å; R182-E184 IonicContact CZ-OE1 3.85Å; R182-E184 IonicContact CZ-OE2 2.67Å; R182-E184 IonicContact NE-OE1 2.69Å; R182-E184 PolarHBondContact NE-OE1 3.01Å; R182-E184 IonicContact NE-OE2 3.06Å; R182-E184 PolarHBondContact NE-OE2 3.43Å; R182-E184 IonicContact NH1-OE1 2.69Å; R182-E184 PolarHBondContact NH1-OE1 2.68Å; R182-E184 IonicContact NH2-OE1 3.12Å; R182-E184 PolarHBondContact NH2-OE1 2.95Å; R182-E184 IonicContact NH2-OE2 2.62Å; R182-E184 PolarHBondContact NH2-OE2 3.36Å |
| 185 | K | 89 | Confident | 85.7 | Confident | 146 Ų | 146 | 91.8 Ų | 91.8 | 64% | 0.635 | 49% | 0.485 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 127.9 | 177.5 | -166.2 | -173.3 | 171.9 | -158.3 | 0 | 109.7 | D188 | K185-D188 VanDerWaalsContact CE-OD1 3.31Å; K185-D188 WeakPolarHBondContact CE-OD1 3.39Å; K185-D188 IonicContact NZ-OD1 2.72Å; K185-D188 PolarHBondContact NZ-OD1 2.6Å; K185-D188 IonicContact NZ-OD2 3.64Å |
| 186 | P | 88.1 | Confident | 85.1 | Confident | 49 Ų | 49 | 89.7 Ų | 89.7 | 32% | 0.318 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 157.6 | 169.2 | -22 | 31.7 | 0 | 0 | 0 | 111.7 | I164 V169 D188 | I164-P186 HydrophobicContact CB-CG 4.5Å; I164-P186 HydrophobicContact CD1-CB 4.12Å; I164-P186 HydrophobicContact CG2-CG 3.99Å; V169-P186 HydrophobicContact CG1-CG 4.24Å; V169-P186 HydrophobicContact CG2-CG 3.55Å; P186-D188 PolarHBondContact O-N 3.44Å |
| 187 | T | 84.8 | Confident | 85 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 54% | 0.54 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 136.6 | 165.7 | -57.1 | 0 | 0 | 0 | 0 | 109.1 | D191 | T187-D191 HydrophobicContact CG2-CB 3.81Š|
| 188 | D | 83.3 | Confident | 85 | Confident | 83 Ų | 83 | 84.7 Ų | 84.7 | 44% | 0.444 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 136.9 | 179.1 | -63.5 | -56.8 | 0 | 0 | 0 | 109.6 | K185 P186 D190 D191 | K185-D188 VanDerWaalsContact CE-OD1 3.31Å; K185-D188 WeakPolarHBondContact CE-OD1 3.39Å; K185-D188 IonicContact NZ-OD1 2.72Å; K185-D188 PolarHBondContact NZ-OD1 2.6Å; K185-D188 IonicContact NZ-OD2 3.64Å; P186-D188 PolarHBondContact O-N 3.44Å; D188-D190 PolarHBondContact O-N 3.36Å; D188-D190 VanDerWaalsContact O-N 3.16Å; D188-D191 WeakPolarHBondContact O-CB 3.48Å; D188-D191 PolarHBondContact O-N 3.26Å |
| 189 | P | 81.5 | Confident | 84.9 | Confident | 104 Ų | 104 | 81.2 Ų | 81.2 | 68% | 0.675 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -21.3 | -177.4 | 26.6 | -35.1 | 0 | 0 | 0 | 112.8 | D191 | P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 PolarHBondContact O-N 3.45Å |
| 190 | D | 81.6 | Confident | 84.8 | Confident | 150 Ų | 150 | 82.8 Ų | 82.8 | 80% | 0.802 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -12.6 | 176.3 | -55.7 | -45.9 | 0 | 0 | 0 | 113.1 | D188 P192 | D188-D190 PolarHBondContact O-N 3.36Å; D188-D190 VanDerWaalsContact O-N 3.16Å; D190-P192 WeakPolarHBondContact O-CD 3.45Å |
| 191 | D | 83.5 | Confident | 84.8 | Confident | 51 Ų | 51 | 81.1 Ų | 81.1 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -71.5 | 118.2 | 172.1 | -171.6 | -5.2 | 0 | 0 | 0 | 107.9 | T187 D188 P189 L193 A194 | T187-D191 HydrophobicContact CG2-CB 3.81Å; D188-D191 WeakPolarHBondContact O-CB 3.48Å; D188-D191 PolarHBondContact O-N 3.26Å; P189-D191 VanDerWaalsContact C-N 3.27Å; P189-D191 PolarHBondContact O-N 3.45Å; D191-L193 PolarHBondContact O-N 2.77Å; D191-L193 WeakPolarHBondContact OD1-CB 3.21Å; D191-L193 PolarHBondContact OD1-N 2.75Å; D191-L193 VanDerWaalsContact OD1-N 3.15Å; D191-A194 VanDerWaalsContact O-CB 3.28Å; D191-A194 WeakPolarHBondContact O-CB 3.42Å; D191-A194 PolarHBondContact O-N 2.8Å |
| 192 | P | 78.9 | Confident | 84.8 | Confident | 95 Ų | 95 | 76 Ų | 76 | 62% | 0.617 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -17.4 | 177.4 | 24.4 | -36.1 | 0 | 0 | 0 | 112.3 | D190 A194 P208 | D190-P192 WeakPolarHBondContact O-CD 3.45Å; P192-A194 VanDerWaalsContact C-N 3.27Å; P192-A194 PolarHBondContact O-N 2.66Å; P192-P208 HydrophobicContact CB-CB 4.22Å; P192-P208 WeakPolarHBondContact O-CG 3.15Å |
| 193 | L | 80.2 | Confident | 84.7 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 32% | 0.319 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.1 | 175.3 | -151.9 | 64.8 | 0 | 0 | 0 | 114.7 | D191 Q196 V209 | D191-L193 PolarHBondContact O-N 2.77Å; D191-L193 WeakPolarHBondContact OD1-CB 3.21Å; D191-L193 PolarHBondContact OD1-N 2.75Å; D191-L193 VanDerWaalsContact OD1-N 3.15Å; L193-Q196 VanDerWaalsContact O-CG 3.26Å; L193-Q196 WeakPolarHBondContact O-CG 3.26Å; L193-V209 HydrophobicContact CD1-CB 4.07Å; L193-V209 HydrophobicContact CD1-CG2 3.33Å; L193-V209 HydrophobicContact CG-CG2 4.4Å |
| 194 | A | 72.9 | Confident | 84.4 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -72.6 | -40.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D191 P192 Q196 | D191-A194 VanDerWaalsContact O-CB 3.28Å; D191-A194 WeakPolarHBondContact O-CB 3.42Å; D191-A194 PolarHBondContact O-N 2.8Å; P192-A194 VanDerWaalsContact C-N 3.27Å; P192-A194 PolarHBondContact O-N 2.66Å; A194-Q196 PolarHBondContact O-N 2.57Å |
| 195 | D | 71 | Confident | 84.2 | Confident | 139 Ų | 139 | 71.7 Ų | 71.7 | 74% | 0.743 | 39% | 0.388 | S | S | * | . | trans | -86.1 | 98.7 | 179.5 | -71.6 | -29.1 | 0 | 0 | 0 | 110.7 | ||||
| 196 | Q | 78.1 | Confident | 84 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | trans | -118.9 | 84.9 | -176.9 | -68.2 | -72.4 | -56.3 | 0 | 0 | 110.4 | L193 A194 I198 | L193-Q196 VanDerWaalsContact O-CG 3.26Å; L193-Q196 WeakPolarHBondContact O-CG 3.26Å; A194-Q196 PolarHBondContact O-N 2.57Å; Q196-I198 PolarHBondContact O-N 3.27Å | ||
| 197 | N | 86.8 | Confident | 83.9 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 42% | 0.422 | 38% | 0.377 | S | S | . | . | trans | -73 | 127.5 | 174.3 | -176 | -1.2 | 0 | 0 | 0 | 110.9 | K199 D200 R201 | N197-K199 VanDerWaalsContact C-N 3.27Å; N197-K199 PolarHBondContact O-N 3.07Å; N197-K199 PolarHBondContact OD1-N 3.35Å; N197-K199 VanDerWaalsContact OD1-N 3.13Å; N197-D200 HydrophobicContact CB-CB 4.08Å; N197-D200 WeakPolarHBondContact CB-OD2 3.32Å; N197-D200 PolarHBondContact ND2-OD2 3.02Å; N197-D200 PolarHBondContact O-N 3.19Å; N197-R201 WeakPolarHBondContact O-CG 3.33Å; N197-R201 PolarHBondContact O-N 3.02Å | ||
| 198 | I | 87.2 | Confident | 84.1 | Confident | 59 Ų | 59 | 66.1 Ų | 66.1 | 30% | 0.303 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.4 | -37.7 | -178.8 | -63.6 | 179.5 | 0 | 0 | 0 | 111.3 | K46 L85 Q196 Y202 | K46-I198 HydrophobicContact CB-CG2 4.02Å; L85-I198 HydrophobicContact CD1-CG2 3.49Å; L85-I198 VanDerWaalsContact CD1-CG2 3.49Å; L85-I198 WeakPolarHBondContact CD1-O 3.08Å; Q196-I198 PolarHBondContact O-N 3.27Å; I198-Y202 WeakPolarHBondContact O-CB 3.46Å; I198-Y202 PolarHBondContact O-N 3.49Å |
| 199 | K | 88.2 | Confident | 84.3 | Confident | 102 Ų | 102 | 64 Ų | 64 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68 | -46.1 | -178.9 | -68.1 | -177.9 | 179.2 | 179.7 | 0 | 111.1 | K46 I47 N197 R201 Y202 Y203 | K46-K199 WeakPolarHBondContact O-CE 3.31Å; I47-K199 HydrophobicContact CD1-CG 4.46Å; N197-K199 VanDerWaalsContact C-N 3.27Å; N197-K199 PolarHBondContact O-N 3.07Å; N197-K199 PolarHBondContact OD1-N 3.35Å; N197-K199 VanDerWaalsContact OD1-N 3.13Å; K199-R201 PolarHBondContact O-N 3.29Å; K199-Y202 WeakPolarHBondContact O-CB 3.43Å; K199-Y202 PolarHBondContact O-N 2.88Å; K199-Y203 HydrophobicContact CB-CD2 4.36Å; K199-Y203 HydrophobicContact CB-CE2 4.26Å; K199-Y203 WeakPolarHBondContact O-CD2 3.45Å; K199-Y203 PolarHBondContact O-N 3.09Å |
| 200 | D | 89.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | -177.5 | -65.1 | -22.9 | 0 | 0 | 0 | 111.2 | N197 Y202 Y203 G204 I205 | N197-D200 HydrophobicContact CB-CB 4.08Å; N197-D200 WeakPolarHBondContact CB-OD2 3.32Å; N197-D200 PolarHBondContact ND2-OD2 3.02Å; N197-D200 PolarHBondContact O-N 3.19Å; D200-Y202 VanDerWaalsContact C-N 3.29Å; D200-Y202 PolarHBondContact O-N 2.87Å; D200-Y203 PolarHBondContact O-N 3.4Å; D200-G204 PolarHBondContact O-N 2.81Å; D200-I205 CarbonylContact C-O 3.39Å; D200-I205 HydrophobicContact CB-CG1 4.38Å; D200-I205 VanDerWaalsContact CB-O 3.3Å; D200-I205 WeakPolarHBondContact CB-O 3.44Å; D200-I205 PolarHBondContact O-N 3.05Å; D200-I205 VanDerWaalsContact O-N 3.1Å; D200-I205 VanDerWaalsContact O-O 3.13Å |
| 201 | R | 90.2 | Very high | 85.2 | Confident | 50 Ų | 50 | 55.7 Ų | 55.7 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -33.6 | 172.6 | -66 | -178.2 | 72.4 | -142.2 | -20.2 | 113.9 | C84 L86 N197 K199 D207 | C84-R201 PolarHBondContact O-NH2 2.86Å; L86-R201 VanDerWaalsContact CD2-NH2 3.32Å; N197-R201 WeakPolarHBondContact O-CG 3.33Å; N197-R201 PolarHBondContact O-N 3.02Å; K199-R201 PolarHBondContact O-N 3.29Å; R201-D207 HydrophobicContact CG-CB 4.44Å; R201-D207 IonicContact NE-OD2 2.66Å |
| 202 | Y | 91.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -76.3 | -43.9 | 179.6 | 179.9 | -99.7 | 0 | 0 | 0 | 112.6 | I47 C74 K78 V80 L85 I94 M107 I198 K199 D200 G204 | I47-Y202 HydrophobicContact CB-CD1 4.26Å; I47-Y202 HydrophobicContact CB-CE1 4.16Å; I47-Y202 VanDerWaalsContact CD1-CB 3.49Å; I47-Y202 HydrophobicContact CD1-CD1 3.54Å; I47-Y202 HydrophobicContact CD1-CD2 4.2Å; I47-Y202 HydrophobicContact CD1-CE1 4.29Å; I47-Y202 HydrophobicContact CD1-CG 3.47Å; I47-Y202 VanDerWaalsContact CD1-CG 3.47Å; I47-Y202 HydrophobicContact CG1-CD1 3.64Å; I47-Y202 HydrophobicContact CG1-CD2 4Å; I47-Y202 HydrophobicContact CG1-CE1 3.89Å; I47-Y202 HydrophobicContact CG1-CE2 4.25Å; I47-Y202 HydrophobicContact CG1-CG 3.68Å; I47-Y202 HydrophobicContact CG2-CD1 3.61Å; I47-Y202 HydrophobicContact CG2-CE1 3.29Å; I47-Y202 HydrophobicContact CG2-CG 4.5Å; C74-Y202 HydrophobicContact CB-CE2 4.21Å; C74-Y202 WeakPolarHBondContact CB-OH 3.22Å; C74-Y202 PolarHBondContact O-OH 2.95Å; C74-Y202 VanDerWaalsContact O-OH 3.06Å; K78-Y202 HydrophobicContact CB-CE2 4.2Å; K78-Y202 HydrophobicContact CG-CE2 3.91Å; V80-Y202 HydrophobicContact CG2-CE2 4.42Å; L85-Y202 HydrophobicContact CD2-CD2 4.26Å; I94-Y202 HydrophobicContact CD1-CD2 4.23Å; I94-Y202 VanDerWaalsContact CD1-O 3.25Å; I94-Y202 WeakPolarHBondContact CD1-O 3.37Å; M107-Y202 HydrophobicContact CE-CD1 3.88Å; M107-Y202 HydrophobicContact CE-CE1 3.12Å; M107-Y202 HydrophobicContact SD-CE1 3.91Å; I198-Y202 WeakPolarHBondContact O-CB 3.46Å; I198-Y202 PolarHBondContact O-N 3.49Å; K199-Y202 WeakPolarHBondContact O-CB 3.43Å; K199-Y202 PolarHBondContact O-N 2.88Å; D200-Y202 VanDerWaalsContact C-N 3.29Å; D200-Y202 PolarHBondContact O-N 2.87Å; Y202-G204 PolarHBondContact O-N 3.17Å |
| 203 | Y | 89.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 55.1 Ų | 55.1 | 13% | 0.129 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -77.6 | -10.1 | 177.4 | -65.5 | -64.9 | 0 | 0 | 0 | 112.9 | I47 M107 K114 K199 D200 I205 | I47-Y203 WeakPolarHBondContact CG2-OH 3.48Å; M107-Y203 HydrophobicContact CE-CD1 3.67Å; M107-Y203 HydrophobicContact CE-CE1 3.65Å; M107-Y203 HydrophobicContact CG-CE1 4.14Å; M107-Y203 HydrophobicContact SD-CE1 4.19Å; K114-Y203 VanDerWaalsContact CD-OH 3.24Å; K114-Y203 WeakPolarHBondContact CD-OH 3.31Å; K199-Y203 HydrophobicContact CB-CD2 4.36Å; K199-Y203 HydrophobicContact CB-CE2 4.26Å; K199-Y203 WeakPolarHBondContact O-CD2 3.45Å; K199-Y203 PolarHBondContact O-N 3.09Å; D200-Y203 PolarHBondContact O-N 3.4Å; Y203-I205 VanDerWaalsContact C-N 3.33Å |
| 204 | G | 85.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 31.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q95 D200 Y202 | Q95-G204 WeakPolarHBondContact CG-O 3.29Å; D200-G204 PolarHBondContact O-N 2.81Å; Y202-G204 PolarHBondContact O-N 3.17Å |
| 205 | I | 86.5 | Confident | 87.6 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -113.7 | 136.8 | 176.3 | 61.5 | -177.4 | 0 | 0 | 0 | 108.4 | K109 D200 Y203 D207 | K109-I205 HydrophobicContact CD-CD1 4.49Å; D200-I205 CarbonylContact C-O 3.39Å; D200-I205 HydrophobicContact CB-CG1 4.38Å; D200-I205 VanDerWaalsContact CB-O 3.3Å; D200-I205 WeakPolarHBondContact CB-O 3.44Å; D200-I205 PolarHBondContact O-N 3.05Å; D200-I205 VanDerWaalsContact O-N 3.1Å; D200-I205 VanDerWaalsContact O-O 3.13Å; Y203-I205 VanDerWaalsContact C-N 3.33Å; I205-D207 VanDerWaalsContact C-N 3.3Å; I205-D207 PolarHBondContact O-N 2.88Å |
| 206 | N | 84.3 | Confident | 88.6 | Confident | 134 Ų | 134 | 60.2 Ų | 60.2 | 72% | 0.717 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 49.9 | 43.1 | 174.8 | -56.9 | -21.3 | 0 | 0 | 0 | 114.2 | P208 | N206-P208 VanDerWaalsContact O-CD 3.28Å; N206-P208 WeakPolarHBondContact O-CD 3.48Å |
| 207 | D | 85.9 | Confident | 89.1 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | trans | -92.7 | 106.8 | 171.7 | -176.9 | -1.5 | 0 | 0 | 0 | 110 | R201 I205 V209 A210 D211 | R201-D207 HydrophobicContact CG-CB 4.44Å; R201-D207 IonicContact NE-OD2 2.66Å; I205-D207 VanDerWaalsContact C-N 3.3Å; I205-D207 PolarHBondContact O-N 2.88Å; D207-V209 PolarHBondContact O-N 3.47Å; D207-V209 VanDerWaalsContact OD1-CB 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.22Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.44Å; D207-V209 PolarHBondContact OD1-N 3.22Å; D207-A210 HydrophobicContact CB-CB 3.8Å; D207-A210 WeakPolarHBondContact O-CA 3.47Å; D207-A210 VanDerWaalsContact O-CB 3.29Å; D207-A210 WeakPolarHBondContact O-CB 3.4Å; D207-A210 PolarHBondContact O-N 3.04Å; D207-D211 PolarHBondContact O-N 3.1Å | ||
| 208 | P | 89.1 | Confident | 89.3 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 20% | 0.195 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -20 | -177.9 | 26.9 | -32.2 | 0 | 0 | 0 | 112.3 | P192 N206 K212 | P192-P208 HydrophobicContact CB-CB 4.22Å; P192-P208 WeakPolarHBondContact O-CG 3.15Å; N206-P208 VanDerWaalsContact O-CD 3.28Å; N206-P208 WeakPolarHBondContact O-CD 3.48Å; P208-K212 WeakPolarHBondContact O-CB 3.29Å; P208-K212 PolarHBondContact O-N 3.41Å; P208-K212 VanDerWaalsContact O-N 3.16Å |
| 209 | V | 87.8 | Confident | 89.4 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 24% | 0.242 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 168.7 | -174.4 | 0 | 0 | 0 | 0 | 109.1 | P93 L193 D207 K212 L213 | P93-V209 HydrophobicContact CG-CB 4.4Å; P93-V209 HydrophobicContact CG-CG1 3.95Å; L193-V209 HydrophobicContact CD1-CB 4.07Å; L193-V209 HydrophobicContact CD1-CG2 3.33Å; L193-V209 HydrophobicContact CG-CG2 4.4Å; D207-V209 PolarHBondContact O-N 3.47Å; D207-V209 VanDerWaalsContact OD1-CB 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.22Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.44Å; D207-V209 PolarHBondContact OD1-N 3.22Å; V209-K212 PolarHBondContact O-N 3.05Å; V209-L213 HydrophobicContact CG1-CD1 4.28Å; V209-L213 WeakPolarHBondContact O-CD1 3.24Å; V209-L213 PolarHBondContact O-N 3.43Å; V209-L213 VanDerWaalsContact O-N 3.1Å |
| 210 | A | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -43.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P93 Q95 V96 D207 K212 L213 L214 | P93-A210 HydrophobicContact CB-CB 4.08Å; P93-A210 HydrophobicContact CG-CB 4.5Å; Q95-A210 HydrophobicContact CB-CB 3.69Å; Q95-A210 HydrophobicContact CG-CB 4.01Å; V96-A210 HydrophobicContact CG2-CB 3.64Å; D207-A210 HydrophobicContact CB-CB 3.8Å; D207-A210 WeakPolarHBondContact O-CA 3.47Å; D207-A210 VanDerWaalsContact O-CB 3.29Å; D207-A210 WeakPolarHBondContact O-CB 3.4Å; D207-A210 PolarHBondContact O-N 3.04Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 3.36Å; A210-L213 CarbonylContact O-C 3.49Å; A210-L213 WeakPolarHBondContact O-CA 3.4Å; A210-L213 WeakPolarHBondContact O-CB 3.46Å; A210-L213 PolarHBondContact O-N 2.89Å; A210-L214 WeakPolarHBondContact O-CG 3.42Å; A210-L214 PolarHBondContact O-N 3.22Å |
| 211 | D | 91.4 | Very high | 89.1 | Confident | 78 Ų | 78 | 60.1 Ų | 60.1 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 178.3 | -63.9 | -25.2 | 0 | 0 | 0 | 111.8 | Q95 D207 L213 L214 K215 | Q95-D211 PolarHBondContact NE2-OD1 3.09Å; D207-D211 PolarHBondContact O-N 3.1Å; D211-L213 VanDerWaalsContact C-N 3.3Å; D211-L213 PolarHBondContact O-N 3.23Å; D211-L214 PolarHBondContact O-N 2.94Å; D211-K215 WeakPolarHBondContact O-CB 3.3Å; D211-K215 PolarHBondContact O-N 3.26Å |
| 212 | K | 90.9 | Very high | 88.7 | Confident | 105 Ų | 105 | 66.2 Ų | 66.2 | 46% | 0.457 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 173.6 | -179.7 | 174 | -84.7 | 171.5 | 0 | 111.8 | P208 V209 A210 R216 | P208-K212 WeakPolarHBondContact O-CB 3.29Å; P208-K212 PolarHBondContact O-N 3.41Å; P208-K212 VanDerWaalsContact O-N 3.16Å; V209-K212 PolarHBondContact O-N 3.05Å; A210-K212 VanDerWaalsContact C-N 3.33Å; A210-K212 PolarHBondContact O-N 3.36Å; K212-R216 PolarHBondContact O-N 3.1Å |
| 213 | L | 90.8 | Very high | 88.3 | Confident | 30 Ų | 30 | 67.7 Ų | 67.7 | 16% | 0.157 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.9 | -40.7 | 177.1 | -97.7 | 64.8 | 0 | 0 | 0 | 112.3 | L92 P93 V96 V209 A210 D211 R216 A217 | L92-L213 HydrophobicContact CD2-CD2 3.76Å; P93-L213 HydrophobicContact CG-CD2 4.29Å; V96-L213 HydrophobicContact CG1-CB 4.48Å; V96-L213 HydrophobicContact CG2-CB 3.76Å; V96-L213 HydrophobicContact CG2-CD2 4.11Å; V209-L213 HydrophobicContact CG1-CD1 4.28Å; V209-L213 WeakPolarHBondContact O-CD1 3.24Å; V209-L213 PolarHBondContact O-N 3.43Å; V209-L213 VanDerWaalsContact O-N 3.1Å; A210-L213 CarbonylContact O-C 3.49Å; A210-L213 WeakPolarHBondContact O-CA 3.4Å; A210-L213 WeakPolarHBondContact O-CB 3.46Å; A210-L213 PolarHBondContact O-N 2.89Å; D211-L213 VanDerWaalsContact C-N 3.3Å; D211-L213 PolarHBondContact O-N 3.23Å; L213-R216 WeakPolarHBondContact O-CB 3.41Å; L213-R216 PolarHBondContact O-N 2.83Å; L213-A217 PolarHBondContact O-N 2.86Å |
| 214 | L | 91.7 | Very high | 87.9 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 24% | 0.236 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 175.1 | -71.1 | 172.2 | 0 | 0 | 0 | 111.2 | V96 A99 M146 A210 D211 R216 A217 S218 | V96-L214 HydrophobicContact CG1-CD2 4.42Å; V96-L214 HydrophobicContact CG2-CG 4.39Å; A99-L214 HydrophobicContact CB-CD2 3.99Å; M146-L214 HydrophobicContact CE-CD2 3.76Å; A210-L214 WeakPolarHBondContact O-CG 3.42Å; A210-L214 PolarHBondContact O-N 3.22Å; D211-L214 PolarHBondContact O-N 2.94Å; L214-R216 VanDerWaalsContact C-N 3.31Å; L214-R216 PolarHBondContact O-N 3.36Å; L214-A217 WeakPolarHBondContact O-CA 3.48Å; L214-A217 VanDerWaalsContact O-CB 3.31Å; L214-A217 WeakPolarHBondContact O-CB 3.15Å; L214-A217 PolarHBondContact O-N 3.24Å; L214-A217 VanDerWaalsContact O-N 3.1Å; L214-S218 PolarHBondContact O-N 2.98Å |
| 215 | K | 92.6 | Very high | 87.7 | Confident | 153 Ų | 153 | 73.2 Ų | 73.2 | 67% | 0.665 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -61 | -39.8 | 172.1 | -174.3 | 173.6 | -177.9 | 174.8 | 0 | 111.9 | D211 A217 S218 T219 | D211-K215 WeakPolarHBondContact O-CB 3.3Å; D211-K215 PolarHBondContact O-N 3.26Å; K215-A217 VanDerWaalsContact C-N 3.32Å; K215-S218 WeakPolarHBondContact CA-OG 3.46Å; K215-S218 PolarHBondContact O-N 3.25Å; K215-S218 PolarHBondContact O-OG 2.8Å; K215-T219 WeakPolarHBondContact O-CG2 3.37Å; K215-T219 PolarHBondContact O-N 3.23Å; K215-T219 PolarHBondContact O-OG1 2.71Å |
| 216 | R | 91.8 | Very high | 87.5 | Confident | 150 Ų | 150 | 71.7 Ų | 71.7 | 57% | 0.566 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 173.2 | -178 | 176.2 | -74.5 | 163.3 | -3.5 | 110.9 | K212 L213 L214 T219 M220 | K212-R216 PolarHBondContact O-N 3.1Å; L213-R216 WeakPolarHBondContact O-CB 3.41Å; L213-R216 PolarHBondContact O-N 2.83Å; L214-R216 VanDerWaalsContact C-N 3.31Å; L214-R216 PolarHBondContact O-N 3.36Å; R216-T219 WeakPolarHBondContact CA-OG1 3.18Å; R216-T219 PolarHBondContact O-N 3.15Å; R216-T219 PolarHBondContact O-OG1 2.91Å; R216-M220 HydrophobicContact CG-CE 4.34Å; R216-M220 WeakPolarHBondContact O-CG 3.34Å; R216-M220 PolarHBondContact O-N 3.07Å |
| 217 | A | 90 | Very high | 87.4 | Confident | 16 Ų | 16 | 74.2 Ų | 74.2 | 13% | 0.132 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | M146 L150 L213 L214 K215 T219 M220 | M146-A217 HydrophobicContact CE-CB 3.53Å; M146-A217 HydrophobicContact CG-CB 4.41Å; L150-A217 HydrophobicContact CD1-CB 3.84Å; L150-A217 HydrophobicContact CD2-CB 4.23Å; L150-A217 HydrophobicContact CG-CB 4.45Å; L213-A217 PolarHBondContact O-N 2.86Å; L214-A217 WeakPolarHBondContact O-CA 3.48Å; L214-A217 VanDerWaalsContact O-CB 3.31Å; L214-A217 WeakPolarHBondContact O-CB 3.15Å; L214-A217 PolarHBondContact O-N 3.24Å; L214-A217 VanDerWaalsContact O-N 3.1Å; K215-A217 VanDerWaalsContact C-N 3.32Å; A217-T219 VanDerWaalsContact C-N 3.28Å; A217-T219 PolarHBondContact O-N 3.46Å; A217-M220 WeakPolarHBondContact O-CB 3.44Å; A217-M220 PolarHBondContact O-N 3.04Å; A217-M220 VanDerWaalsContact O-N 3.17Å |
| 218 | S | 89.1 | Confident | 87.4 | Confident | 83 Ų | 83 | 77.8 Ų | 77.8 | 58% | 0.58 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.9 | -28.9 | 177.1 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | L214 K215 M220 | L214-S218 PolarHBondContact O-N 2.98Å; K215-S218 WeakPolarHBondContact CA-OG 3.46Å; K215-S218 PolarHBondContact O-N 3.25Å; K215-S218 PolarHBondContact O-OG 2.8Å; S218-M220 VanDerWaalsContact C-N 3.34Å |
| 219 | T | 90.4 | Very high | 87.1 | Confident | 103 Ų | 103 | 84 Ų | 84 | 63% | 0.632 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.3 | 175.5 | 58 | 0 | 0 | 0 | 0 | 113.8 | K215 R216 A217 | K215-T219 WeakPolarHBondContact O-CG2 3.37Å; K215-T219 PolarHBondContact O-N 3.23Å; K215-T219 PolarHBondContact O-OG1 2.71Å; R216-T219 WeakPolarHBondContact CA-OG1 3.18Å; R216-T219 PolarHBondContact O-N 3.15Å; R216-T219 PolarHBondContact O-OG1 2.91Å; A217-T219 VanDerWaalsContact C-N 3.28Å; A217-T219 PolarHBondContact O-N 3.46Å |
| 220 | M | 85.5 | Confident | 87 | Confident | 51 Ų | 51 | 87.1 Ų | 87.1 | 25% | 0.251 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -65.2 | 144.1 | 177.7 | -73.3 | -176.3 | 176.6 | 0 | 0 | 110 | K149 L150 R216 A217 S218 R222 | K149-M220 HydrophobicContact CB-CE 4.4Å; K149-M220 HydrophobicContact CB-SD 4.1Å; L150-M220 HydrophobicContact CD2-CE 3.37Å; L150-M220 HydrophobicContact CG-CE 3.91Å; R216-M220 HydrophobicContact CG-CE 4.34Å; R216-M220 WeakPolarHBondContact O-CG 3.34Å; R216-M220 PolarHBondContact O-N 3.07Å; A217-M220 WeakPolarHBondContact O-CB 3.44Å; A217-M220 PolarHBondContact O-N 3.04Å; A217-M220 VanDerWaalsContact O-N 3.17Å; S218-M220 VanDerWaalsContact C-N 3.34Å; M220-R222 PolarHBondContact O-N 3.37Å |
| 221 | P | 84.8 | Confident | 86.9 | Confident | 92 Ų | 92 | 88.5 Ų | 88.5 | 60% | 0.597 | 45% | 0.447 | S | S | * | . | trans | -58.7 | 120.7 | 174.1 | 25.6 | -33.1 | 0 | 0 | 0 | 108.1 | F288 | P221-F288 HydrophobicContact CB-CE1 4.21Å; P221-F288 HydrophobicContact CB-CZ 4.33Å; P221-F288 WeakPolarHBondContact O-CE1 3.48Å | ||
| 222 | R | 83 | Confident | 86.8 | Confident | 179 Ų | 179 | 85.6 Ų | 85.6 | 68% | 0.675 | 43% | 0.433 | S | S | * | . | trans | -119 | 156.3 | 169.5 | 68.8 | -176.6 | -170.5 | -163.7 | -2.6 | 108.1 | M220 D224 | M220-R222 PolarHBondContact O-N 3.37Å; R222-D224 IonicContact CZ-OD1 3.92Å; R222-D224 IonicContact NE-OD1 3.91Å; R222-D224 PolarHBondContact NE-OD1 3.44Å; R222-D224 IonicContact NH2-OD1 2.6Å; R222-D224 PolarHBondContact NH2-OD1 3.44Å; R222-D224 PolarHBondContact O-N 3.23Å | ||
| 223 | L | 81.6 | Confident | 86.9 | Confident | 30 Ų | 30 | 81.8 Ų | 81.8 | 16% | 0.157 | 42% | 0.418 | C | S | . | . | trans | -93.2 | 100.8 | 175.9 | -170.3 | 74.6 | 0 | 0 | 0 | 107.7 | A284 F288 W302 | L223-A284 HydrophobicContact CD2-CB 3.47Å; L223-A284 VanDerWaalsContact CD2-CB 3.47Å; L223-F288 HydrophobicContact CB-CD1 4.46Å; L223-F288 HydrophobicContact CB-CD2 3.97Å; L223-F288 HydrophobicContact CB-CE2 4.27Å; L223-F288 HydrophobicContact CB-CG 4.08Å; L223-F288 HydrophobicContact CD1-CD2 4.19Å; L223-F288 HydrophobicContact CD1-CE2 4.1Å; L223-F288 HydrophobicContact CD2-CD2 4.47Å; L223-F288 HydrophobicContact CG-CD2 4.44Å; L223-W302 HydrophobicContact CD2-CD2 4.42Å; L223-W302 HydrophobicContact CD2-CG 4.31Å; L223-W302 VanDerWaalsContact CD2-NE1 3.33Å; L223-W302 VanDerWaalsContact CG-CD1 3.48Å; L223-W302 HydrophobicContact CG-CG 4.48Å; L223-W302 VanDerWaalsContact CG-NE1 3.34Å | ||
| 224 | D | 82.2 | Confident | 87 | Confident | 96 Ų | 96 | 80.3 Ų | 80.3 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 135.4 | 175.2 | -59.6 | -53.6 | 0 | 0 | 0 | 109.2 | R222 W302 | R222-D224 IonicContact CZ-OD1 3.92Å; R222-D224 IonicContact NE-OD1 3.91Å; R222-D224 PolarHBondContact NE-OD1 3.44Å; R222-D224 IonicContact NH2-OD1 2.6Å; R222-D224 PolarHBondContact NH2-OD1 3.44Å; R222-D224 PolarHBondContact O-N 3.23Å; D224-W302 PolarHBondContact O-NE1 2.96Å |
| 225 | P | 81.2 | Confident | 87.1 | Confident | 69 Ų | 69 | 81.2 Ų | 81.2 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 147.2 | 179.3 | 27.1 | -34 | 0 | 0 | 0 | 110.5 | ||
| 226 | P | 82.5 | Confident | 87.1 | Confident | 21 Ų | 21 | 74 Ų | 74 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 139 | 179.2 | 27.5 | -33.5 | 0 | 0 | 0 | 110.1 | D228 I231 W302 | P226-D228 PolarHBondContact O-N 2.89Å; P226-I231 HydrophobicContact CB-CB 4.2Å; P226-I231 HydrophobicContact CB-CD1 4Å; P226-I231 HydrophobicContact CB-CG2 4.45Å; P226-I231 HydrophobicContact CG-CB 3.94Å; P226-I231 HydrophobicContact CG-CG2 4.14Å; P226-W302 VanDerWaalsContact CD-CD2 3.46Å; P226-W302 HydrophobicContact CG-CD2 3.95Å; P226-W302 HydrophobicContact CG-CE3 3.96Å; P226-W302 HydrophobicContact CG-CG 4.28Å; P226-W302 HydrophobicContact CG-CZ3 4.3Å |
| 227 | E | 82.7 | Confident | 87.1 | Confident | 186 Ų | 186 | 67 Ų | 67 | 87% | 0.869 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -55.9 | -42 | 172.9 | -65.9 | -61.9 | 158.7 | 0 | 0 | 111 | K229 | E227-K229 PolarHBondContact O-N 3.39Š|
| 228 | D | 85.8 | Confident | 87 | Confident | 77 Ų | 77 | 68 Ų | 68 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -76.1 | 114.7 | 176.9 | -171.8 | -11.1 | 0 | 0 | 0 | 111.1 | P226 T230 I231 | P226-D228 PolarHBondContact O-N 2.89Å; D228-T230 PolarHBondContact O-N 2.95Å; D228-T230 WeakPolarHBondContact OD1-CB 3.5Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.38Å; D228-T230 PolarHBondContact OD1-N 2.9Å; D228-T230 PolarHBondContact OD1-OG1 3.31Å; D228-T230 PolarHBondContact OD2-OG1 3.26Å; D228-T230 VanDerWaalsContact OD2-OG1 3.12Å; D228-I231 HydrophobicContact CB-CD1 3.93Å; D228-I231 HydrophobicContact CB-CG1 4.07Å; D228-I231 PolarHBondContact O-N 2.78Å |
| 229 | K | 83 | Confident | 86.9 | Confident | 159 Ų | 159 | 64.1 Ų | 64.1 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.8 | -177.6 | -45.8 | -146.2 | 167.3 | 171.3 | 0 | 115 | E227 I231 | E227-K229 PolarHBondContact O-N 3.39Å; K229-I231 VanDerWaalsContact C-N 3.31Å |
| 230 | T | 85.4 | Confident | 86.6 | Confident | 106 Ų | 106 | 59.2 Ų | 59.2 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17.1 | 179.5 | 67.5 | 0 | 0 | 0 | 0 | 112.4 | D228 T232 | D228-T230 PolarHBondContact O-N 2.95Å; D228-T230 WeakPolarHBondContact OD1-CB 3.5Å; D228-T230 WeakPolarHBondContact OD1-CG2 3.38Å; D228-T230 PolarHBondContact OD1-N 2.9Å; D228-T230 PolarHBondContact OD1-OG1 3.31Å; D228-T230 PolarHBondContact OD2-OG1 3.26Å; D228-T230 VanDerWaalsContact OD2-OG1 3.12Å; T230-T232 PolarHBondContact O-N 2.96Å |
| 231 | I | 87.7 | Confident | 86.5 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | trans | -73.1 | 104 | -179.3 | -60.3 | 178.4 | 0 | 0 | 0 | 109.4 | P226 D228 K229 W302 G303 | P226-I231 HydrophobicContact CB-CB 4.2Å; P226-I231 HydrophobicContact CB-CD1 4Å; P226-I231 HydrophobicContact CB-CG2 4.45Å; P226-I231 HydrophobicContact CG-CB 3.94Å; P226-I231 HydrophobicContact CG-CG2 4.14Å; D228-I231 HydrophobicContact CB-CD1 3.93Å; D228-I231 HydrophobicContact CB-CG1 4.07Å; D228-I231 PolarHBondContact O-N 2.78Å; K229-I231 VanDerWaalsContact C-N 3.31Å; I231-W302 HydrophobicContact CG2-CE3 4.29Å; I231-G303 VanDerWaalsContact CG2-O 3.24Å; I231-G303 WeakPolarHBondContact CG2-O 3.32Å | ||
| 232 | T | 91.2 | Very high | 86.6 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 10% | 0.104 | 33% | 0.326 | C | S | . | . | trans | -113.5 | 10.1 | 173.1 | 50 | 0 | 0 | 0 | 0 | 111.6 | T230 F274 R277 | T230-T232 PolarHBondContact O-N 2.96Å; T232-F274 WeakPolarHBondContact CB-O 3.26Å; T232-F274 PolarHBondContact O-N 2.88Å; T232-F274 PolarHBondContact OG1-O 2.82Å; T232-R277 HydrophobicContact CG2-CB 4.38Å | ||
| 233 | T | 92.3 | Very high | 86.8 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.8 | -177.9 | -49.4 | 0 | 0 | 0 | 0 | 110.2 | F271 I272 Q273 G303 | T233-F271 HydrophobicContact CG2-CB 4.15Å; T233-F271 HydrophobicContact CG2-CD1 4.21Å; T233-I272 CarbonylContact C-O 3.58Å; T233-I272 VanDerWaalsContact CA-O 3.3Å; T233-I272 WeakPolarHBondContact CA-O 3.28Å; T233-Q273 HydrophobicContact CG2-CG 4.03Å; T233-G303 WeakPolarHBondContact O-CA 3.37Å; T233-G303 PolarHBondContact O-N 2.95Å |
| 234 | L | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.6 | 168.8 | -56.3 | -171.3 | 0 | 0 | 0 | 110 | F252 F271 I272 F274 A283 A284 V300 W302 | L234-F252 HydrophobicContact CD1-CD1 4.45Å; L234-F252 HydrophobicContact CD1-CE1 3.97Å; L234-F271 CarbonylContact O-C 3.59Å; L234-F271 WeakPolarHBondContact O-CA 3.37Å; L234-I272 PolarHBondContact N-O 2.89Å; L234-I272 PolarHBondContact O-N 3.27Å; L234-F274 HydrophobicContact CD1-CD2 4.29Å; L234-F274 HydrophobicContact CD1-CE2 3.66Å; L234-F274 HydrophobicContact CG-CD2 4.27Å; L234-F274 HydrophobicContact CG-CE2 4.07Å; L234-A283 HydrophobicContact CD1-CB 3.85Å; L234-A284 HydrophobicContact CD1-CB 4.23Å; L234-A284 HydrophobicContact CD2-CB 3.72Å; L234-V300 HydrophobicContact CB-CG1 4.39Å; L234-V300 HydrophobicContact CD1-CG1 4.34Å; L234-W302 HydrophobicContact CD2-CD2 4.22Å; L234-W302 HydrophobicContact CD2-CE3 3.54Å; L234-W302 HydrophobicContact CD2-CH2 4.15Å; L234-W302 HydrophobicContact CD2-CZ3 3.51Å |
| 235 | Y | 92.7 | Very high | 87.6 | Confident | 64 Ų | 64 | 55 Ų | 55 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 130.4 | 167.7 | 166.5 | -90.6 | 0 | 0 | 0 | 109.1 | C269 A270 F271 V300 K301 | Y235-C269 HydrophobicContact CD2-CB 4.47Å; Y235-C269 HydrophobicContact CE2-CB 3.69Å; Y235-C269 WeakPolarHBondContact CE2-SG 3.49Å; Y235-C269 VanDerWaalsContact CZ-SG 3.55Å; Y235-C269 PolarHBondContact OH-SG 3.16Å; Y235-A270 WeakPolarHBondContact CA-O 3.44Å; Y235-F271 HydrophobicContact CD2-CD1 4.39Å; Y235-F271 AromaticContact CD2-CE1 3.73Å; Y235-F271 HydrophobicContact CD2-CE1 3.73Å; Y235-F271 AromaticContact CD2-CZ 3.93Å; Y235-F271 HydrophobicContact CD2-CZ 3.93Å; Y235-F271 HydrophobicContact CE2-CZ 4.45Å; Y235-V300 CarbonylContact O-C 3.55Å; Y235-V300 VanDerWaalsContact O-CA 3.29Å; Y235-V300 WeakPolarHBondContact O-CA 3.24Å; Y235-K301 HydrophobicContact CD1-CB 3.92Å; Y235-K301 HydrophobicContact CD1-CD 4.28Å; Y235-K301 HydrophobicContact CD1-CG 4.2Å; Y235-K301 HydrophobicContact CE1-CD 4.41Å; Y235-K301 PolarHBondContact N-O 2.91Å; Y235-K301 PolarHBondContact O-N 3.5Å |
| 236 | V | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 114.8 | 175.4 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | L239 F252 C269 A270 I272 L298 V300 | V236-L239 HydrophobicContact CG1-CD2 4.31Å; V236-L239 HydrophobicContact CG1-CG 4.44Å; V236-F252 HydrophobicContact CG2-CE2 4.14Å; V236-F252 HydrophobicContact CG2-CZ 4.04Å; V236-C269 CarbonylContact O-C 3.59Å; V236-C269 VanDerWaalsContact O-CA 3.27Å; V236-C269 WeakPolarHBondContact O-CA 3.45Å; V236-A270 HydrophobicContact CB-CB 4.42Å; V236-A270 PolarHBondContact N-O 3.31Å; V236-A270 PolarHBondContact O-N 3.43Å; V236-I272 HydrophobicContact CG2-CD1 3.88Å; V236-I272 HydrophobicContact CG2-CG1 4.49Å; V236-L298 HydrophobicContact CG1-CB 3.91Å; V236-L298 HydrophobicContact CG1-CD1 3.89Å; V236-L298 HydrophobicContact CG1-CG 4.33Å; V236-V300 HydrophobicContact CG2-CG2 4.39Å |
| 237 | G | 91.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 158.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N299 | G237-N299 PolarHBondContact N-O 3.06Å; G237-N299 PolarHBondContact O-N 3.48Å |
| 238 | G | 88.6 | Confident | 88.9 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | trans | 85.8 | 22.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G240 Q268 L298 | G238-G240 VanDerWaalsContact C-N 3.27Å; G238-G240 PolarHBondContact O-N 3.35Å; G238-Q268 PolarHBondContact N-O 3.4Å; G238-L298 VanDerWaalsContact C-CD2 3.46Å; G238-L298 VanDerWaalsContact O-CD2 3.25Å; G238-L298 WeakPolarHBondContact O-CD2 3.42Å | ||
| 239 | L | 86.8 | Confident | 89.3 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | trans | -61.6 | -35.1 | -177.7 | -72.2 | 151.3 | 0 | 0 | 0 | 112.9 | V236 I243 L248 Q268 A270 L298 | V236-L239 HydrophobicContact CG1-CD2 4.31Å; V236-L239 HydrophobicContact CG1-CG 4.44Å; L239-I243 HydrophobicContact CB-CB 4.47Å; L239-I243 HydrophobicContact CD2-CB 4.09Å; L239-I243 HydrophobicContact CD2-CG2 3.66Å; L239-I243 WeakPolarHBondContact O-CD1 3.19Å; L239-I243 VanDerWaalsContact O-CG1 3.31Å; L239-I243 WeakPolarHBondContact O-CG1 3.41Å; L239-L248 HydrophobicContact CD2-CD1 3.65Å; L239-L248 HydrophobicContact CD2-CD2 3.71Å; L239-L248 HydrophobicContact CD2-CG 4.02Å; L239-Q268 PolarHBondContact N-O 3.38Å; L239-A270 HydrophobicContact CD1-CB 3.45Å; L239-A270 VanDerWaalsContact CD1-CB 3.45Å; L239-L298 HydrophobicContact CD2-CD1 4.12Å; L239-L298 HydrophobicContact CD2-CD2 4.24Å; L239-L298 HydrophobicContact CG-CD2 4.3Å | ||
| 240 | G | 85 | Confident | 89.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | -170.7 | -165.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G238 R296 | G238-G240 VanDerWaalsContact C-N 3.27Å; G238-G240 PolarHBondContact O-N 3.35Å; G240-R296 VanDerWaalsContact CA-NH1 3.34Å |
| 241 | D | 84 | Confident | 89.9 | Confident | 123 Ų | 123 | 44.2 Ų | 44.2 | 66% | 0.658 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -9.6 | -173 | -47.4 | -27.5 | 0 | 0 | 0 | 112.6 | Q268 | D241-Q268 PolarHBondContact OD1-NE2 2.91Š|
| 242 | T | 86.4 | Confident | 90.2 | Very high | 89 Ų | 89 | 42.8 Ų | 42.8 | 55% | 0.546 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -25.3 | -176.5 | -42.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 243 | I | 87.7 | Confident | 90.2 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | trans | -85.8 | 124.4 | -174.7 | -63 | 173.4 | 0 | 0 | 0 | 109.5 | L239 D247 L248 V293 N294 R296 L298 | L239-I243 HydrophobicContact CB-CB 4.47Å; L239-I243 HydrophobicContact CD2-CB 4.09Å; L239-I243 HydrophobicContact CD2-CG2 3.66Å; L239-I243 WeakPolarHBondContact O-CD1 3.19Å; L239-I243 VanDerWaalsContact O-CG1 3.31Å; L239-I243 WeakPolarHBondContact O-CG1 3.41Å; I243-D247 HydrophobicContact CG2-CB 4.16Å; I243-L248 HydrophobicContact CG2-CD2 4.27Å; I243-L248 HydrophobicContact CG2-CG 4.27Å; I243-V293 HydrophobicContact CD1-CB 4.1Å; I243-V293 HydrophobicContact CD1-CG1 4.31Å; I243-V293 HydrophobicContact CG1-CG1 4.35Å; I243-V293 HydrophobicContact CG2-CG1 4.36Å; I243-N294 HydrophobicContact CG1-CB 4.49Å; I243-R296 HydrophobicContact CD1-CB 4.44Å; I243-L298 HydrophobicContact CD1-CD1 4.19Å; I243-L298 HydrophobicContact CD1-CD2 3.84Å; I243-L298 HydrophobicContact CD1-CG 4.37Å | ||
| 244 | T | 88.9 | Confident | 90.2 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | trans | -94.1 | 164 | -178.9 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | T246 D247 L248 | T244-T246 PolarHBondContact O-N 3.46Å; T244-D247 PolarHBondContact N-OD2 3.37Å; T244-D247 PolarHBondContact O-N 3.32Å; T244-D247 PolarHBondContact OG1-N 3.01Å; T244-D247 PolarHBondContact OG1-OD2 3.42Å; T244-L248 PolarHBondContact O-N 2.95Å | ||
| 245 | E | 90.8 | Very high | 90.2 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.9 | -38.2 | 173.3 | -168.3 | -167.2 | 136.8 | 0 | 0 | 111.8 | D247 L248 R249 I261 V263 | E245-D247 VanDerWaalsContact C-N 3.3Å; E245-D247 PolarHBondContact O-N 3.23Å; E245-L248 PolarHBondContact O-N 3.44Å; E245-R249 WeakPolarHBondContact O-CB 3.24Å; E245-R249 PolarHBondContact O-N 3.07Å; E245-R249 IonicContact OE1-CZ 3.77Å; E245-R249 IonicContact OE1-NE 3.97Å; E245-R249 IonicContact OE1-NH2 2.77Å; E245-R249 PolarHBondContact OE1-NH2 2.85Å; E245-I261 HydrophobicContact CG-CB 3.89Å; E245-I261 HydrophobicContact CG-CD1 4.28Å; E245-I261 HydrophobicContact CG-CG2 3.54Å; E245-V263 HydrophobicContact CB-CG2 4.01Å; E245-V263 HydrophobicContact CG-CG2 4.12Å |
| 246 | T | 91.7 | Very high | 90.2 | Very high | 85 Ų | 85 | 53.6 Ų | 53.6 | 52% | 0.521 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 179.7 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | T244 L248 R249 N250 | T244-T246 PolarHBondContact O-N 3.46Å; T246-L248 PolarHBondContact O-N 3.31Å; T246-R249 PolarHBondContact O-N 3.19Å; T246-N250 WeakPolarHBondContact O-CB 3.28Å; T246-N250 PolarHBondContact O-N 2.87Å; T246-N250 PolarHBondContact O-ND2 3.25Å |
| 247 | D | 91.5 | Very high | 90.2 | Very high | 47 Ų | 47 | 59.2 Ų | 59.2 | 25% | 0.251 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.3 | -58.1 | -44.6 | 0 | 0 | 0 | 111.6 | I243 T244 E245 H251 V293 | I243-D247 HydrophobicContact CG2-CB 4.16Å; T244-D247 PolarHBondContact N-OD2 3.37Å; T244-D247 PolarHBondContact O-N 3.32Å; T244-D247 PolarHBondContact OG1-N 3.01Å; T244-D247 PolarHBondContact OG1-OD2 3.42Å; E245-D247 VanDerWaalsContact C-N 3.3Å; E245-D247 PolarHBondContact O-N 3.23Å; D247-H251 PolarHBondContact O-N 2.92Å; D247-V293 HydrophobicContact CB-CG1 4.19Å |
| 248 | L | 91.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 175.5 | -63.1 | 177.7 | 0 | 0 | 0 | 111.2 | L239 I243 T244 E245 T246 N250 H251 F252 A270 I272 L298 | L239-L248 HydrophobicContact CD2-CD1 3.65Å; L239-L248 HydrophobicContact CD2-CD2 3.71Å; L239-L248 HydrophobicContact CD2-CG 4.02Å; I243-L248 HydrophobicContact CG2-CD2 4.27Å; I243-L248 HydrophobicContact CG2-CG 4.27Å; T244-L248 PolarHBondContact O-N 2.95Å; E245-L248 PolarHBondContact O-N 3.44Å; T246-L248 PolarHBondContact O-N 3.31Å; L248-N250 VanDerWaalsContact C-N 3.35Å; L248-N250 PolarHBondContact O-N 3.04Å; L248-H251 PolarHBondContact O-N 2.95Å; L248-F252 HydrophobicContact CB-CD2 4.44Å; L248-F252 HydrophobicContact CD2-CE2 4.32Å; L248-F252 WeakPolarHBondContact O-CB 3.16Å; L248-F252 VanDerWaalsContact O-CD2 3.28Å; L248-F252 WeakPolarHBondContact O-CD2 3.46Å; L248-F252 PolarHBondContact O-N 3Å; L248-A270 HydrophobicContact CD1-CB 3.6Å; L248-I272 HydrophobicContact CB-CD1 4.38Å; L248-L298 HydrophobicContact CD2-CD1 3.99Å |
| 249 | R | 92.8 | Very high | 90.5 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 177.8 | -174 | 178.2 | -64.5 | -85.4 | -1.2 | 111.1 | E245 T246 H251 F252 Y253 I261 | E245-R249 WeakPolarHBondContact O-CB 3.24Å; E245-R249 PolarHBondContact O-N 3.07Å; E245-R249 IonicContact OE1-CZ 3.77Å; E245-R249 IonicContact OE1-NE 3.97Å; E245-R249 IonicContact OE1-NH2 2.77Å; E245-R249 PolarHBondContact OE1-NH2 2.85Å; T246-R249 PolarHBondContact O-N 3.19Å; R249-H251 VanDerWaalsContact C-N 3.27Å; R249-H251 PolarHBondContact O-N 3.1Å; R249-F252 PolarHBondContact O-N 2.93Å; R249-Y253 WeakPolarHBondContact O-CB 3.45Å; R249-Y253 PolarHBondContact O-N 3.02Å; R249-I261 HydrophobicContact CB-CD1 3.71Å; R249-I261 HydrophobicContact CG-CD1 4.1Å |
| 250 | N | 91.9 | Very high | 90.8 | Very high | 108 Ų | 108 | 68.4 Ų | 68.4 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.8 | -39.8 | 179.6 | -70.7 | -15.8 | 0 | 0 | 0 | 111.8 | T246 L248 | T246-N250 WeakPolarHBondContact O-CB 3.28Å; T246-N250 PolarHBondContact O-N 2.87Å; T246-N250 PolarHBondContact O-ND2 3.25Å; L248-N250 VanDerWaalsContact C-N 3.35Å; L248-N250 PolarHBondContact O-N 3.04Å |
| 251 | H | 89.9 | Confident | 91.2 | Very high | 51 Ų | 51 | 69.2 Ų | 69.2 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -74.9 | -43.8 | 179 | -172 | 44.3 | 0 | 0 | 0 | 113.5 | D247 L248 R249 Q254 L291 | D247-H251 PolarHBondContact O-N 2.92Å; L248-H251 PolarHBondContact O-N 2.95Å; R249-H251 VanDerWaalsContact C-N 3.27Å; R249-H251 PolarHBondContact O-N 3.1Å; H251-Q254 PolarHBondContact CE1-NE2 3.2Å; H251-Q254 VanDerWaalsContact O-CG 3.25Å; H251-Q254 WeakPolarHBondContact O-CG 3.47Å; H251-L291 WeakPolarHBondContact CD2-CD1 3.25Å; H251-L291 VanDerWaalsContact NE2-CD1 3.28Å; H251-L291 WeakPolarHBondContact NE2-CD1 3.48Å |
| 252 | F | 92.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -81 | -19.9 | -174 | -78.8 | -76.7 | 0 | 0 | 0 | 113.8 | L234 V236 L248 R249 Q254 F255 I258 I272 F274 A283 L291 V300 | L234-F252 HydrophobicContact CD1-CD1 4.45Å; L234-F252 HydrophobicContact CD1-CE1 3.97Å; V236-F252 HydrophobicContact CG2-CE2 4.14Å; V236-F252 HydrophobicContact CG2-CZ 4.04Å; L248-F252 HydrophobicContact CB-CD2 4.44Å; L248-F252 HydrophobicContact CD2-CE2 4.32Å; L248-F252 WeakPolarHBondContact O-CB 3.16Å; L248-F252 VanDerWaalsContact O-CD2 3.28Å; L248-F252 WeakPolarHBondContact O-CD2 3.46Å; L248-F252 PolarHBondContact O-N 3Å; R249-F252 PolarHBondContact O-N 2.93Å; F252-Q254 PolarHBondContact O-N 2.91Å; F252-F255 AromaticContact CD1-CD2 3.95Å; F252-F255 HydrophobicContact CD1-CD2 3.95Å; F252-F255 HydrophobicContact CD1-CE2 4.03Å; F252-F255 HydrophobicContact CE1-CE2 4.46Å; F252-F255 PolarHBondContact O-N 3.32Å; F252-F255 VanDerWaalsContact O-N 3.17Å; F252-I258 HydrophobicContact CB-CD1 3.86Å; F252-I272 HydrophobicContact CD1-CD1 4.41Å; F252-I272 HydrophobicContact CD2-CD1 3.21Å; F252-I272 HydrophobicContact CE1-CD1 4.48Å; F252-I272 HydrophobicContact CE2-CD1 3.31Å; F252-I272 HydrophobicContact CG-CD1 3.82Å; F252-I272 HydrophobicContact CZ-CD1 3.97Å; F252-F274 HydrophobicContact CB-CZ 4.01Å; F252-F274 HydrophobicContact CD1-CE2 4.25Å; F252-F274 AromaticContact CD1-CZ 3.89Å; F252-F274 HydrophobicContact CD1-CZ 3.89Å; F252-F274 HydrophobicContact CG-CZ 4.35Å; F252-A283 HydrophobicContact CD1-CB 4.11Å; F252-A283 HydrophobicContact CE1-CB 4.34Å; F252-L291 HydrophobicContact CE2-CD2 3.94Å; F252-L291 HydrophobicContact CZ-CD2 3.88Å; F252-V300 HydrophobicContact CZ-CG2 4.43Å |
| 253 | Y | 92.3 | Very high | 91.9 | Very high | 154 Ų | 154 | 64.2 Ų | 64.2 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -57.5 | -32.2 | 177.5 | -179.1 | -102.2 | 0 | 0 | 0 | 112.9 | R249 F255 G256 | R249-Y253 WeakPolarHBondContact O-CB 3.45Å; R249-Y253 PolarHBondContact O-N 3.02Å; Y253-F255 PolarHBondContact O-N 3.01Å; Y253-F255 VanDerWaalsContact O-N 3.12Å; Y253-G256 PolarHBondContact O-N 3.1Å |
| 254 | Q | 92.5 | Very high | 92 | Very high | 126 Ų | 126 | 66.1 Ų | 66.1 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -65 | -16.5 | -179.2 | 77.6 | -171.2 | 5.9 | 0 | 0 | 114.4 | H251 F252 | H251-Q254 PolarHBondContact CE1-NE2 3.2Å; H251-Q254 VanDerWaalsContact O-CG 3.25Å; H251-Q254 WeakPolarHBondContact O-CG 3.47Å; F252-Q254 PolarHBondContact O-N 2.91Å |
| 255 | F | 92.3 | Very high | 91.9 | Very high | 29 Ų | 29 | 67.8 Ų | 67.8 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -95.5 | -22.6 | -179.2 | -53.4 | -64.9 | 0 | 0 | 0 | 112.6 | F252 Y253 F274 A279 V282 A283 K286 | F252-F255 AromaticContact CD1-CD2 3.95Å; F252-F255 HydrophobicContact CD1-CD2 3.95Å; F252-F255 HydrophobicContact CD1-CE2 4.03Å; F252-F255 HydrophobicContact CE1-CE2 4.46Å; F252-F255 PolarHBondContact O-N 3.32Å; F252-F255 VanDerWaalsContact O-N 3.17Å; Y253-F255 PolarHBondContact O-N 3.01Å; Y253-F255 VanDerWaalsContact O-N 3.12Å; F255-F274 HydrophobicContact CB-CE1 4.46Å; F255-A279 VanDerWaalsContact O-CB 3.28Å; F255-A279 WeakPolarHBondContact O-CB 3.24Å; F255-V282 HydrophobicContact CD1-CG1 4.16Å; F255-A283 HydrophobicContact CB-CB 3.73Å; F255-A283 HydrophobicContact CD1-CB 4.46Å; F255-A283 HydrophobicContact CD2-CB 3.49Å; F255-A283 VanDerWaalsContact CD2-CB 3.49Å; F255-A283 HydrophobicContact CE2-CB 4.15Å; F255-A283 HydrophobicContact CG-CB 3.65Å; F255-K286 HydrophobicContact CD1-CD 4.05Å; F255-K286 HydrophobicContact CE1-CB 3.73Å; F255-K286 HydrophobicContact CE1-CD 3.52Å; F255-K286 HydrophobicContact CE1-CG 4.25Å; F255-K286 HydrophobicContact CZ-CB 4Å |
| 256 | G | 91.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 75.9 Ų | 75.9 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | S | Bend | trans | 155.5 | -175.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y253 | Y253-G256 PolarHBondContact O-N 3.1Š|
| 257 | E | 93.9 | Very high | 91.6 | Very high | 119 Ų | 119 | 77.3 Ų | 77.3 | 56% | 0.556 | 36% | 0.359 | S | S | * | . | trans | -70.9 | 132.4 | -175.1 | -169.9 | 63.1 | -153.4 | 0 | 0 | 112.4 | A275 | E257-A275 HydrophobicContact CB-CB 3.96Å; E257-A275 HydrophobicContact CG-CB 4.17Å; E257-A275 PolarHBondContact O-N 2.77Å | ||
| 258 | I | 94 | Very high | 91.4 | Very high | 13 Ų | 13 | 78.8 Ų | 78.8 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.8 | -176.4 | -54 | 172.4 | 0 | 0 | 0 | 109.3 | F252 I261 I272 Q273 F274 | F252-I258 HydrophobicContact CB-CD1 3.86Å; I258-I261 HydrophobicContact CD1-CD1 4.3Å; I258-I261 HydrophobicContact CG2-CD1 4.15Å; I258-I261 HydrophobicContact CG2-CG1 3.65Å; I258-I272 HydrophobicContact CG2-CG2 3.83Å; I258-Q273 CarbonylContact C-O 3.56Å; I258-Q273 WeakPolarHBondContact CG2-O 3.09Å; I258-F274 HydrophobicContact CG1-CD1 4.41Å; I258-F274 HydrophobicContact CG1-CE1 4.05Å |
| 259 | R | 92.3 | Very high | 91.4 | Very high | 162 Ų | 162 | 79 Ų | 79 | 61% | 0.611 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | -54.8 | 176.5 | -72 | -177.6 | 176.5 | 174.9 | 9.8 | 112.2 | Q273 A275 | R259-Q273 HydrophobicContact CB-CB 4.23Å; R259-Q273 PolarHBondContact N-O 3.45Å; R259-A275 HydrophobicContact CG-CB 4.04Å; R259-A275 PolarHBondContact NH2-O 3.01Å |
| 260 | T | 92.8 | Very high | 91.4 | Very high | 60 Ų | 60 | 74.3 Ų | 74.3 | 37% | 0.368 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 145.7 | -176 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | Q273 | T260-Q273 PolarHBondContact N-O 2.86Å; T260-Q273 PolarHBondContact O-N 3.06Å; T260-Q273 WeakPolarHBondContact OG1-CB 2.86Å; T260-Q273 WeakPolarHBondContact OG1-CG 3.37Å; T260-Q273 PolarHBondContact OG1-NE2 3.44Å; T260-Q273 PolarHBondContact OG1-OE1 3.16Å |
| 261 | I | 93.4 | Very high | 91.5 | Very high | 17 Ų | 17 | 71.3 Ų | 71.3 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.8 | 169.7 | -53.4 | 178.2 | 0 | 0 | 0 | 106.7 | E245 R249 I258 V263 F271 I272 | E245-I261 HydrophobicContact CG-CB 3.89Å; E245-I261 HydrophobicContact CG-CD1 4.28Å; E245-I261 HydrophobicContact CG-CG2 3.54Å; R249-I261 HydrophobicContact CB-CD1 3.71Å; R249-I261 HydrophobicContact CG-CD1 4.1Å; I258-I261 HydrophobicContact CD1-CD1 4.3Å; I258-I261 HydrophobicContact CG2-CD1 4.15Å; I258-I261 HydrophobicContact CG2-CG1 3.65Å; I261-V263 HydrophobicContact CG2-CG2 4.31Å; I261-F271 WeakPolarHBondContact CA-O 3.49Å; I261-I272 HydrophobicContact CG1-CG2 4.46Å; I261-I272 HydrophobicContact CG2-CG1 4.29Å |
| 262 | T | 92.6 | Very high | 91.6 | Very high | 70 Ų | 70 | 68.9 Ų | 68.9 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 109.7 | 178.5 | -55 | 0 | 0 | 0 | 0 | 108.9 | A270 F271 | T262-A270 CarbonylContact O-C 3.57Å; T262-A270 VanDerWaalsContact O-CA 3.3Å; T262-A270 WeakPolarHBondContact O-CA 3.27Å; T262-F271 PolarHBondContact N-O 3.11Å; T262-F271 PolarHBondContact O-N 3.4Å |
| 263 | V | 91.7 | Very high | 91.6 | Very high | 38 Ų | 38 | 72.2 Ų | 72.2 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 124.5 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | E245 I261 A270 | E245-V263 HydrophobicContact CB-CG2 4.01Å; E245-V263 HydrophobicContact CG-CG2 4.12Å; I261-V263 HydrophobicContact CG2-CG2 4.31Å; V263-A270 HydrophobicContact CG2-CB 4.21Å |
| 264 | V | 91.2 | Very high | 91.8 | Very high | 43 Ų | 43 | 64.9 Ų | 64.9 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 91.3 | 178.3 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | R266 Q267 Q268 C269 F271 | V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 2.91Å; V264-Q267 HydrophobicContact CG1-CB 4.13Å; V264-Q267 HydrophobicContact CG1-CG 4.15Å; V264-Q267 PolarHBondContact O-N 3.15Å; V264-Q267 VanDerWaalsContact O-N 3.11Å; V264-Q268 PolarHBondContact O-N 3.24Å; V264-Q268 VanDerWaalsContact O-N 3.09Å; V264-C269 WeakPolarHBondContact CA-O 3.3Å; V264-C269 PolarHBondContact N-O 3.38Å; V264-C269 PolarHBondContact O-N 2.79Å; V264-F271 HydrophobicContact CG2-CD2 4.31Å; V264-F271 HydrophobicContact CG2-CE2 4.19Å |
| 265 | Q | 86.3 | Confident | 91.8 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -59.7 | -38 | -175.5 | -62.2 | -63.8 | 6.2 | 0 | 0 | 112.8 | Q267 Q268 | Q265-Q267 PolarHBondContact O-N 3.38Å; Q265-Q267 VanDerWaalsContact O-N 3.11Å; Q265-Q268 PolarHBondContact O-N 2.95Å |
| 266 | R | 87.9 | Confident | 91.8 | Very high | 249 Ų | 249 | 62.4 Ų | 62.4 | 94% | 0.94 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -58.1 | -28.7 | 178.2 | -69.4 | -171.9 | 179.9 | 178.7 | 0.6 | 114.1 | V264 | V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 2.91Å |
| 267 | Q | 87.4 | Confident | 91.7 | Very high | 115 Ų | 115 | 64.4 Ų | 64.4 | 54% | 0.537 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -107.4 | -2.3 | -179.4 | -65.7 | 178.3 | 14.4 | 0 | 0 | 111.9 | V264 Q265 C269 | V264-Q267 HydrophobicContact CG1-CB 4.13Å; V264-Q267 HydrophobicContact CG1-CG 4.15Å; V264-Q267 PolarHBondContact O-N 3.15Å; V264-Q267 VanDerWaalsContact O-N 3.11Å; Q265-Q267 PolarHBondContact O-N 3.38Å; Q265-Q267 VanDerWaalsContact O-N 3.11Å; Q267-C269 HydrophobicContact CB-CB 4.06Å; Q267-C269 PolarHBondContact O-N 3.24Å; Q267-C269 PolarHBondContact O-SG 2.89Å |
| 268 | Q | 88.5 | Confident | 91.6 | Very high | 77 Ų | 77 | 66 Ų | 66 | 36% | 0.36 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 42.1 | -170.6 | -62.2 | 178.1 | -18.7 | 0 | 0 | 111.7 | G238 L239 D241 V264 Q265 | G238-Q268 PolarHBondContact N-O 3.4Å; L239-Q268 PolarHBondContact N-O 3.38Å; D241-Q268 PolarHBondContact OD1-NE2 2.91Å; V264-Q268 PolarHBondContact O-N 3.24Å; V264-Q268 VanDerWaalsContact O-N 3.09Å; Q265-Q268 PolarHBondContact O-N 2.95Å |
| 269 | C | 91.4 | Very high | 91.5 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 148.8 | -175.7 | -66.1 | 0 | 0 | 0 | 0 | 110.9 | Y235 V236 V264 Q267 | Y235-C269 HydrophobicContact CD2-CB 4.47Å; Y235-C269 HydrophobicContact CE2-CB 3.69Å; Y235-C269 WeakPolarHBondContact CE2-SG 3.49Å; Y235-C269 VanDerWaalsContact CZ-SG 3.55Å; Y235-C269 PolarHBondContact OH-SG 3.16Å; V236-C269 CarbonylContact O-C 3.59Å; V236-C269 VanDerWaalsContact O-CA 3.27Å; V236-C269 WeakPolarHBondContact O-CA 3.45Å; V264-C269 WeakPolarHBondContact CA-O 3.3Å; V264-C269 PolarHBondContact N-O 3.38Å; V264-C269 PolarHBondContact O-N 2.79Å; Q267-C269 HydrophobicContact CB-CB 4.06Å; Q267-C269 PolarHBondContact O-N 3.24Å; Q267-C269 PolarHBondContact O-SG 2.89Å |
| 270 | A | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y235 V236 L239 L248 T262 V263 | Y235-A270 WeakPolarHBondContact CA-O 3.44Å; V236-A270 HydrophobicContact CB-CB 4.42Å; V236-A270 PolarHBondContact N-O 3.31Å; V236-A270 PolarHBondContact O-N 3.43Å; L239-A270 HydrophobicContact CD1-CB 3.45Å; L239-A270 VanDerWaalsContact CD1-CB 3.45Å; L248-A270 HydrophobicContact CD1-CB 3.6Å; T262-A270 CarbonylContact O-C 3.57Å; T262-A270 VanDerWaalsContact O-CA 3.3Å; T262-A270 WeakPolarHBondContact O-CA 3.27Å; V263-A270 HydrophobicContact CG2-CB 4.21Å |
| 271 | F | 93.6 | Very high | 91.4 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 19% | 0.193 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.5 | 173.2 | -62.5 | -85 | 0 | 0 | 0 | 108.8 | T233 L234 Y235 I261 T262 V264 | T233-F271 HydrophobicContact CG2-CB 4.15Å; T233-F271 HydrophobicContact CG2-CD1 4.21Å; L234-F271 CarbonylContact O-C 3.59Å; L234-F271 WeakPolarHBondContact O-CA 3.37Å; Y235-F271 HydrophobicContact CD2-CD1 4.39Å; Y235-F271 AromaticContact CD2-CE1 3.73Å; Y235-F271 HydrophobicContact CD2-CE1 3.73Å; Y235-F271 AromaticContact CD2-CZ 3.93Å; Y235-F271 HydrophobicContact CD2-CZ 3.93Å; Y235-F271 HydrophobicContact CE2-CZ 4.45Å; I261-F271 WeakPolarHBondContact CA-O 3.49Å; T262-F271 PolarHBondContact N-O 3.11Å; T262-F271 PolarHBondContact O-N 3.4Å; V264-F271 HydrophobicContact CG2-CD2 4.31Å; V264-F271 HydrophobicContact CG2-CE2 4.19Å |
| 272 | I | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 114.8 | -177.8 | -55.4 | 176.3 | 0 | 0 | 0 | 107.6 | T233 L234 V236 L248 F252 I258 I261 F274 | T233-I272 CarbonylContact C-O 3.58Å; T233-I272 VanDerWaalsContact CA-O 3.3Å; T233-I272 WeakPolarHBondContact CA-O 3.28Å; L234-I272 PolarHBondContact N-O 2.89Å; L234-I272 PolarHBondContact O-N 3.27Å; V236-I272 HydrophobicContact CG2-CD1 3.88Å; V236-I272 HydrophobicContact CG2-CG1 4.49Å; L248-I272 HydrophobicContact CB-CD1 4.38Å; F252-I272 HydrophobicContact CD1-CD1 4.41Å; F252-I272 HydrophobicContact CD2-CD1 3.21Å; F252-I272 HydrophobicContact CE1-CD1 4.48Å; F252-I272 HydrophobicContact CE2-CD1 3.31Å; F252-I272 HydrophobicContact CG-CD1 3.82Å; F252-I272 HydrophobicContact CZ-CD1 3.97Å; I258-I272 HydrophobicContact CG2-CG2 3.83Å; I261-I272 HydrophobicContact CG1-CG2 4.46Å; I261-I272 HydrophobicContact CG2-CG1 4.29Å; I272-F274 HydrophobicContact CG2-CD2 4.34Å; I272-F274 HydrophobicContact CG2-CE2 3.88Å; I272-F274 HydrophobicContact CG2-CZ 4.37Å |
| 273 | Q | 93.1 | Very high | 91.3 | Very high | 70 Ų | 70 | 56 Ų | 56 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 122.7 | 177.9 | -56.7 | -173.3 | 19.3 | 0 | 0 | 109.9 | T233 I258 R259 T260 | T233-Q273 HydrophobicContact CG2-CG 4.03Å; I258-Q273 CarbonylContact C-O 3.56Å; I258-Q273 WeakPolarHBondContact CG2-O 3.09Å; R259-Q273 HydrophobicContact CB-CB 4.23Å; R259-Q273 PolarHBondContact N-O 3.45Å; T260-Q273 PolarHBondContact N-O 2.86Å; T260-Q273 PolarHBondContact O-N 3.06Å; T260-Q273 WeakPolarHBondContact OG1-CB 2.86Å; T260-Q273 WeakPolarHBondContact OG1-CG 3.37Å; T260-Q273 PolarHBondContact OG1-NE2 3.44Å; T260-Q273 PolarHBondContact OG1-OE1 3.16Å |
| 274 | F | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 154.6 | 175.3 | -80 | -88 | 0 | 0 | 0 | 112.4 | T232 L234 F252 F255 I258 I272 A279 A280 A283 | T232-F274 WeakPolarHBondContact CB-O 3.26Å; T232-F274 PolarHBondContact O-N 2.88Å; T232-F274 PolarHBondContact OG1-O 2.82Å; L234-F274 HydrophobicContact CD1-CD2 4.29Å; L234-F274 HydrophobicContact CD1-CE2 3.66Å; L234-F274 HydrophobicContact CG-CD2 4.27Å; L234-F274 HydrophobicContact CG-CE2 4.07Å; F252-F274 HydrophobicContact CB-CZ 4.01Å; F252-F274 HydrophobicContact CD1-CE2 4.25Å; F252-F274 AromaticContact CD1-CZ 3.89Å; F252-F274 HydrophobicContact CD1-CZ 3.89Å; F252-F274 HydrophobicContact CG-CZ 4.35Å; F255-F274 HydrophobicContact CB-CE1 4.46Å; I258-F274 HydrophobicContact CG1-CD1 4.41Å; I258-F274 HydrophobicContact CG1-CE1 4.05Å; I272-F274 HydrophobicContact CG2-CD2 4.34Å; I272-F274 HydrophobicContact CG2-CE2 3.88Å; I272-F274 HydrophobicContact CG2-CZ 4.37Å; F274-A279 HydrophobicContact CD1-CB 3.76Å; F274-A279 HydrophobicContact CE1-CB 4.28Å; F274-A279 HydrophobicContact CG-CB 4.41Å; F274-A280 HydrophobicContact CB-CB 4.01Å; F274-A280 HydrophobicContact CD2-CB 4.03Å; F274-A280 HydrophobicContact CG-CB 4.19Å; F274-A283 HydrophobicContact CE1-CB 4.47Å; F274-A283 HydrophobicContact CE2-CB 3.96Å; F274-A283 HydrophobicContact CZ-CB 3.71Å |
| 275 | A | 92.8 | Very high | 91.2 | Very high | 32 Ų | 32 | 58 Ų | 58 | 26% | 0.264 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -73.7 | -32.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E257 R259 | E257-A275 HydrophobicContact CB-CB 3.96Å; E257-A275 HydrophobicContact CG-CB 4.17Å; E257-A275 PolarHBondContact O-N 2.77Å; R259-A275 HydrophobicContact CG-CB 4.04Å; R259-A275 PolarHBondContact NH2-O 3.01Å |
| 276 | T | 92.6 | Very high | 91.2 | Very high | 71 Ų | 71 | 59 Ų | 59 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -123.2 | 145.6 | -176.4 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | A279 A280 | T276-A279 WeakPolarHBondContact OG1-CB 3.06Å; T276-A279 PolarHBondContact OG1-N 2.92Å; T276-A280 PolarHBondContact O-N 3.19Å |
| 277 | R | 89.9 | Confident | 91.2 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 24% | 0.242 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.8 | 177.2 | 177.5 | 172 | 143.9 | 15.1 | 112.2 | T232 A279 A280 E281 | T232-R277 HydrophobicContact CG2-CB 4.38Å; R277-A279 VanDerWaalsContact C-N 3.31Å; R277-A279 PolarHBondContact O-N 3.37Å; R277-A280 WeakPolarHBondContact O-CB 3.17Å; R277-A280 PolarHBondContact O-N 3.13Å; R277-A280 VanDerWaalsContact O-N 3.09Å; R277-E281 HydrophobicContact CG-CG 4.29Å; R277-E281 IonicContact CZ-OE1 2.68Å; R277-E281 IonicContact NE-OE1 2.72Å; R277-E281 PolarHBondContact NE-OE1 3.36Å; R277-E281 IonicContact NE-OE2 3.87Å; R277-E281 IonicContact NH2-OE1 3.82Å; R277-E281 PolarHBondContact NH2-OE1 3.2Å; R277-E281 PolarHBondContact O-N 3.36Å |
| 278 | Q | 91.7 | Very high | 91.1 | Very high | 153 Ų | 153 | 43.1 Ų | 43.1 | 72% | 0.715 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -59.3 | -43.3 | -179 | -65.7 | 177.3 | 1.1 | 0 | 0 | 111.5 | A280 E281 V282 | Q278-A280 VanDerWaalsContact C-N 3.34Å; Q278-A280 PolarHBondContact O-N 3.33Å; Q278-E281 PolarHBondContact O-N 3.46Å; Q278-V282 WeakPolarHBondContact O-CB 3.25Å; Q278-V282 VanDerWaalsContact O-CG2 3.25Å; Q278-V282 WeakPolarHBondContact O-CG2 3.32Å; Q278-V282 PolarHBondContact O-N 3.49Å |
| 279 | A | 93.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F255 F274 T276 R277 A283 | F255-A279 VanDerWaalsContact O-CB 3.28Å; F255-A279 WeakPolarHBondContact O-CB 3.24Å; F274-A279 HydrophobicContact CD1-CB 3.76Å; F274-A279 HydrophobicContact CE1-CB 4.28Å; F274-A279 HydrophobicContact CG-CB 4.41Å; T276-A279 WeakPolarHBondContact OG1-CB 3.06Å; T276-A279 PolarHBondContact OG1-N 2.92Å; R277-A279 VanDerWaalsContact C-N 3.31Å; R277-A279 PolarHBondContact O-N 3.37Å; A279-A283 WeakPolarHBondContact O-CB 3.34Å; A279-A283 PolarHBondContact O-N 3.06Å |
| 280 | A | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F274 T276 R277 Q278 A283 A284 W302 | F274-A280 HydrophobicContact CB-CB 4.01Å; F274-A280 HydrophobicContact CD2-CB 4.03Å; F274-A280 HydrophobicContact CG-CB 4.19Å; T276-A280 PolarHBondContact O-N 3.19Å; R277-A280 WeakPolarHBondContact O-CB 3.17Å; R277-A280 PolarHBondContact O-N 3.13Å; R277-A280 VanDerWaalsContact O-N 3.09Å; Q278-A280 VanDerWaalsContact C-N 3.34Å; Q278-A280 PolarHBondContact O-N 3.33Å; A280-A283 PolarHBondContact O-N 3.18Å; A280-A284 WeakPolarHBondContact O-CB 3.28Å; A280-A284 PolarHBondContact O-N 3.15Å; A280-W302 HydrophobicContact CB-CH2 4.15Å; A280-W302 HydrophobicContact CB-CZ3 3.96Å |
| 281 | E | 91.2 | Very high | 89.9 | Confident | 51 Ų | 51 | 48.8 Ų | 48.8 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.5 | -49 | 179.3 | -71.9 | 178.2 | 159.1 | 0 | 0 | 111.6 | R277 Q278 A283 A284 E285 W302 | R277-E281 HydrophobicContact CG-CG 4.29Å; R277-E281 IonicContact CZ-OE1 2.68Å; R277-E281 IonicContact NE-OE1 2.72Å; R277-E281 PolarHBondContact NE-OE1 3.36Å; R277-E281 IonicContact NE-OE2 3.87Å; R277-E281 IonicContact NH2-OE1 3.82Å; R277-E281 PolarHBondContact NH2-OE1 3.2Å; R277-E281 PolarHBondContact O-N 3.36Å; Q278-E281 PolarHBondContact O-N 3.46Å; E281-A283 VanDerWaalsContact C-N 3.32Å; E281-A283 PolarHBondContact O-N 2.91Å; E281-A284 PolarHBondContact O-N 3.19Å; E281-E285 WeakPolarHBondContact O-CG 3.15Å; E281-E285 PolarHBondContact O-N 3.11Å; E281-W302 HydrophobicContact CB-CH2 4.29Å; E281-W302 HydrophobicContact CG-CH2 3.7Å; E281-W302 HydrophobicContact CG-CZ2 4Å |
| 282 | V | 90.9 | Very high | 89.6 | Confident | 57 Ų | 57 | 51.3 Ų | 51.3 | 35% | 0.345 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | F255 Q278 K286 | F255-V282 HydrophobicContact CD1-CG1 4.16Å; Q278-V282 WeakPolarHBondContact O-CB 3.25Å; Q278-V282 VanDerWaalsContact O-CG2 3.25Å; Q278-V282 WeakPolarHBondContact O-CG2 3.32Å; Q278-V282 PolarHBondContact O-N 3.49Å; V282-K286 HydrophobicContact CG1-CD 3.81Å; V282-K286 HydrophobicContact CG1-CG 4.46Å; V282-K286 VanDerWaalsContact O-CB 3.28Å; V282-K286 WeakPolarHBondContact O-CB 3.33Å; V282-K286 WeakPolarHBondContact O-CG 3.41Å; V282-K286 PolarHBondContact O-N 3.39Å |
| 283 | A | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L234 F252 F255 F274 A279 A280 E281 S287 | L234-A283 HydrophobicContact CD1-CB 3.85Å; F252-A283 HydrophobicContact CD1-CB 4.11Å; F252-A283 HydrophobicContact CE1-CB 4.34Å; F255-A283 HydrophobicContact CB-CB 3.73Å; F255-A283 HydrophobicContact CD1-CB 4.46Å; F255-A283 HydrophobicContact CD2-CB 3.49Å; F255-A283 VanDerWaalsContact CD2-CB 3.49Å; F255-A283 HydrophobicContact CE2-CB 4.15Å; F255-A283 HydrophobicContact CG-CB 3.65Å; F274-A283 HydrophobicContact CE1-CB 4.47Å; F274-A283 HydrophobicContact CE2-CB 3.96Å; F274-A283 HydrophobicContact CZ-CB 3.71Å; A279-A283 WeakPolarHBondContact O-CB 3.34Å; A279-A283 PolarHBondContact O-N 3.06Å; A280-A283 PolarHBondContact O-N 3.18Å; E281-A283 VanDerWaalsContact C-N 3.32Å; E281-A283 PolarHBondContact O-N 2.91Å; A283-S287 WeakPolarHBondContact O-CB 3.18Å; A283-S287 PolarHBondContact O-N 3.03Å; A283-S287 PolarHBondContact O-OG 2.88Å |
| 284 | A | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -49.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | L223 L234 A280 E281 S287 F288 W302 | L223-A284 HydrophobicContact CD2-CB 3.47Å; L223-A284 VanDerWaalsContact CD2-CB 3.47Å; L234-A284 HydrophobicContact CD1-CB 4.23Å; L234-A284 HydrophobicContact CD2-CB 3.72Å; A280-A284 WeakPolarHBondContact O-CB 3.28Å; A280-A284 PolarHBondContact O-N 3.15Å; E281-A284 PolarHBondContact O-N 3.19Å; A284-S287 PolarHBondContact O-N 2.66Å; A284-F288 WeakPolarHBondContact O-CB 3.43Å; A284-F288 PolarHBondContact O-N 3.18Å; A284-W302 HydrophobicContact CB-CH2 3.99Å; A284-W302 HydrophobicContact CB-CZ2 3.67Å |
| 285 | E | 88 | Confident | 88.3 | Confident | 122 Ų | 122 | 57.3 Ų | 57.3 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.7 | -46.5 | 178.6 | -72.7 | -179.1 | -179.2 | 0 | 0 | 112.5 | E281 S287 | E281-E285 WeakPolarHBondContact O-CG 3.15Å; E281-E285 PolarHBondContact O-N 3.11Å; E285-S287 VanDerWaalsContact C-N 3.33Å; E285-S287 PolarHBondContact O-N 3.17Å |
| 286 | K | 86.9 | Confident | 88 | Confident | 122 Ų | 122 | 61.2 Ų | 61.2 | 53% | 0.53 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.9 | -26.7 | -178.2 | -72.4 | -179.4 | 177.9 | 175 | 0 | 113.4 | F255 V282 K290 | F255-K286 HydrophobicContact CD1-CD 4.05Å; F255-K286 HydrophobicContact CE1-CB 3.73Å; F255-K286 HydrophobicContact CE1-CD 3.52Å; F255-K286 HydrophobicContact CE1-CG 4.25Å; F255-K286 HydrophobicContact CZ-CB 4Å; V282-K286 HydrophobicContact CG1-CD 3.81Å; V282-K286 HydrophobicContact CG1-CG 4.46Å; V282-K286 VanDerWaalsContact O-CB 3.28Å; V282-K286 WeakPolarHBondContact O-CB 3.33Å; V282-K286 WeakPolarHBondContact O-CG 3.41Å; V282-K286 PolarHBondContact O-N 3.39Å; K286-K290 WeakPolarHBondContact O-CD 3.18Å |
| 287 | S | 87.5 | Confident | 87.8 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -92.7 | -22.8 | -178 | -52.2 | 0 | 0 | 0 | 0 | 112.7 | A283 A284 E285 N289 K290 L291 | A283-S287 WeakPolarHBondContact O-CB 3.18Å; A283-S287 PolarHBondContact O-N 3.03Å; A283-S287 PolarHBondContact O-OG 2.88Å; A284-S287 PolarHBondContact O-N 2.66Å; E285-S287 VanDerWaalsContact C-N 3.33Å; E285-S287 PolarHBondContact O-N 3.17Å; S287-N289 PolarHBondContact O-N 2.93Å; S287-K290 PolarHBondContact O-N 2.62Å; S287-K290 VanDerWaalsContact O-N 3.1Å; S287-L291 PolarHBondContact O-N 3.06Å; S287-L291 VanDerWaalsContact O-N 3.15Å |
| 288 | F | 86.7 | Confident | 87.8 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 13% | 0.132 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 118 | -177.9 | -171.9 | -105.1 | 0 | 0 | 0 | 111.9 | P221 L223 A284 K290 V300 | P221-F288 HydrophobicContact CB-CE1 4.21Å; P221-F288 HydrophobicContact CB-CZ 4.33Å; P221-F288 WeakPolarHBondContact O-CE1 3.48Å; L223-F288 HydrophobicContact CB-CD1 4.46Å; L223-F288 HydrophobicContact CB-CD2 3.97Å; L223-F288 HydrophobicContact CB-CE2 4.27Å; L223-F288 HydrophobicContact CB-CG 4.08Å; L223-F288 HydrophobicContact CD1-CD2 4.19Å; L223-F288 HydrophobicContact CD1-CE2 4.1Å; L223-F288 HydrophobicContact CD2-CD2 4.47Å; L223-F288 HydrophobicContact CG-CD2 4.44Å; A284-F288 WeakPolarHBondContact O-CB 3.43Å; A284-F288 PolarHBondContact O-N 3.18Å; F288-K290 PolarHBondContact O-N 3.36Å; F288-K290 VanDerWaalsContact O-N 3.07Å; F288-V300 VanDerWaalsContact CD2-O 3.28Å; F288-V300 WeakPolarHBondContact CD2-O 3.28Å |
| 289 | N | 82.3 | Confident | 87.7 | Confident | 60 Ų | 60 | 57.8 Ų | 57.8 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 15.1 | -175.9 | -63.5 | -31.5 | 0 | 0 | 0 | 115.5 | S287 R297 | S287-N289 PolarHBondContact O-N 2.93Å; N289-R297 PolarHBondContact O-NH1 3.01Å |
| 290 | K | 81 | Confident | 87.7 | Confident | 136 Ų | 136 | 57.6 Ų | 57.6 | 59% | 0.591 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -28.5 | 177.7 | -170.3 | 177.5 | 178 | -178.6 | 0 | 112.9 | K286 S287 F288 I292 | K286-K290 WeakPolarHBondContact O-CD 3.18Å; S287-K290 PolarHBondContact O-N 2.62Å; S287-K290 VanDerWaalsContact O-N 3.1Å; F288-K290 PolarHBondContact O-N 3.36Å; F288-K290 VanDerWaalsContact O-N 3.07Å; K290-I292 PolarHBondContact O-N 2.81Å; K290-I292 VanDerWaalsContact O-N 3.15Å |
| 291 | L | 83.4 | Confident | 87.6 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | trans | -68.2 | 113.2 | -172.4 | -176.1 | 49.5 | 0 | 0 | 0 | 112.2 | H251 F252 S287 V293 L298 V300 | H251-L291 WeakPolarHBondContact CD2-CD1 3.25Å; H251-L291 VanDerWaalsContact NE2-CD1 3.28Å; H251-L291 WeakPolarHBondContact NE2-CD1 3.48Å; F252-L291 HydrophobicContact CE2-CD2 3.94Å; F252-L291 HydrophobicContact CZ-CD2 3.88Å; S287-L291 PolarHBondContact O-N 3.06Å; S287-L291 VanDerWaalsContact O-N 3.15Å; L291-V293 HydrophobicContact CD1-CG2 3.45Å; L291-V293 VanDerWaalsContact CD1-CG2 3.45Å; L291-V293 HydrophobicContact CG-CG2 4.01Å; L291-L298 HydrophobicContact CB-CB 4.3Å; L291-L298 HydrophobicContact CD2-CB 4.01Å; L291-L298 HydrophobicContact CD2-CD1 3.78Å; L291-L298 HydrophobicContact CD2-CG 4.42Å; L291-L298 HydrophobicContact CG-CB 3.98Å; L291-L298 HydrophobicContact CG-CD1 3.96Å; L291-L298 HydrophobicContact CG-CG 4.28Å; L291-L298 PolarHBondContact O-N 2.79Å; L291-V300 HydrophobicContact CD2-CG2 4.33Å | ||
| 292 | I | 86.9 | Confident | 87.7 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 115.3 | 172 | -56.9 | 171.2 | 0 | 0 | 0 | 107.3 | K290 R296 | K290-I292 PolarHBondContact O-N 2.81Å; K290-I292 VanDerWaalsContact O-N 3.15Å; I292-R296 CarbonylContact C-O 3.59Å; I292-R296 VanDerWaalsContact CA-O 3.27Å; I292-R296 WeakPolarHBondContact CA-O 3.28Å |
| 293 | V | 85.6 | Confident | 87.4 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 131.7 | 178.2 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | I243 D247 L291 G295 R296 L298 | I243-V293 HydrophobicContact CD1-CB 4.1Å; I243-V293 HydrophobicContact CD1-CG1 4.31Å; I243-V293 HydrophobicContact CG1-CG1 4.35Å; I243-V293 HydrophobicContact CG2-CG1 4.36Å; D247-V293 HydrophobicContact CB-CG1 4.19Å; L291-V293 HydrophobicContact CD1-CG2 3.45Å; L291-V293 VanDerWaalsContact CD1-CG2 3.45Å; L291-V293 HydrophobicContact CG-CG2 4.01Å; V293-G295 PolarHBondContact O-N 3.16Å; V293-G295 VanDerWaalsContact O-N 3.12Å; V293-R296 PolarHBondContact N-O 3.27Å; V293-R296 PolarHBondContact O-N 3.44Å; V293-L298 HydrophobicContact CB-CD1 4.26Å; V293-L298 HydrophobicContact CG2-CD1 4Å |
| 294 | N | 84.4 | Confident | 86.8 | Confident | 101 Ų | 101 | 69.3 Ų | 69.3 | 54% | 0.54 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.1 | -177.4 | -62.4 | -18.7 | 0 | 0 | 0 | 113.5 | I243 R296 | I243-N294 HydrophobicContact CG1-CB 4.49Å; N294-R296 PolarHBondContact O-N 2.87Å |
| 295 | G | 83.4 | Confident | 85.5 | Confident | 74 Ų | 74 | 72 Ų | 72 | 76% | 0.763 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 0.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V293 | V293-G295 PolarHBondContact O-N 3.16Å; V293-G295 VanDerWaalsContact O-N 3.12Å |
| 296 | R | 86.2 | Confident | 84.2 | Confident | 114 Ų | 114 | 72.6 Ų | 72.6 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.3 | 177.4 | -67.6 | -172.3 | -175.6 | -160 | 3.8 | 111.5 | G240 I243 I292 V293 N294 | G240-R296 VanDerWaalsContact CA-NH1 3.34Å; I243-R296 HydrophobicContact CD1-CB 4.44Å; I292-R296 CarbonylContact C-O 3.59Å; I292-R296 VanDerWaalsContact CA-O 3.27Å; I292-R296 WeakPolarHBondContact CA-O 3.28Å; V293-R296 PolarHBondContact N-O 3.27Å; V293-R296 PolarHBondContact O-N 3.44Å; N294-R296 PolarHBondContact O-N 2.87Å |
| 297 | R | 88.6 | Confident | 82.5 | Confident | 135 Ų | 135 | 70.4 Ų | 70.4 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 124.4 | 175.3 | 178.7 | 175.3 | -68.8 | -80.6 | -1.2 | 109.8 | N289 | N289-R297 PolarHBondContact O-NH1 3.01Å |
| 298 | L | 90.7 | Very high | 80.9 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 141.9 | 177.8 | -59.8 | -177.6 | 0 | 0 | 0 | 111.1 | V236 G238 L239 I243 L248 L291 V293 | V236-L298 HydrophobicContact CG1-CB 3.91Å; V236-L298 HydrophobicContact CG1-CD1 3.89Å; V236-L298 HydrophobicContact CG1-CG 4.33Å; G238-L298 VanDerWaalsContact C-CD2 3.46Å; G238-L298 VanDerWaalsContact O-CD2 3.25Å; G238-L298 WeakPolarHBondContact O-CD2 3.42Å; L239-L298 HydrophobicContact CD2-CD1 4.12Å; L239-L298 HydrophobicContact CD2-CD2 4.24Å; L239-L298 HydrophobicContact CG-CD2 4.3Å; I243-L298 HydrophobicContact CD1-CD1 4.19Å; I243-L298 HydrophobicContact CD1-CD2 3.84Å; I243-L298 HydrophobicContact CD1-CG 4.37Å; L248-L298 HydrophobicContact CD2-CD1 3.99Å; L291-L298 HydrophobicContact CB-CB 4.3Å; L291-L298 HydrophobicContact CD2-CB 4.01Å; L291-L298 HydrophobicContact CD2-CD1 3.78Å; L291-L298 HydrophobicContact CD2-CG 4.42Å; L291-L298 HydrophobicContact CG-CB 3.98Å; L291-L298 HydrophobicContact CG-CD1 3.96Å; L291-L298 HydrophobicContact CG-CG 4.28Å; L291-L298 PolarHBondContact O-N 2.79Å; V293-L298 HydrophobicContact CB-CD1 4.26Å; V293-L298 HydrophobicContact CG2-CD1 4Å |
| 299 | N | 90 | Very high | 79.2 | Confident | 81 Ų | 81 | 78.3 Ų | 78.3 | 43% | 0.433 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 108.2 | 180 | -70.4 | -12.4 | 0 | 0 | 0 | 109.7 | G237 | G237-N299 PolarHBondContact N-O 3.06Å; G237-N299 PolarHBondContact O-N 3.48Å |
| 300 | V | 92 | Very high | 77.4 | Confident | 1 Ų | 1 | 77.9 Ų | 77.9 | 1% | 0.006 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 134.4 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | L234 Y235 V236 F252 F288 L291 | L234-V300 HydrophobicContact CB-CG1 4.39Å; L234-V300 HydrophobicContact CD1-CG1 4.34Å; Y235-V300 CarbonylContact O-C 3.55Å; Y235-V300 VanDerWaalsContact O-CA 3.29Å; Y235-V300 WeakPolarHBondContact O-CA 3.24Å; V236-V300 HydrophobicContact CG2-CG2 4.39Å; F252-V300 HydrophobicContact CZ-CG2 4.43Å; F288-V300 VanDerWaalsContact CD2-O 3.28Å; F288-V300 WeakPolarHBondContact CD2-O 3.28Å; L291-V300 HydrophobicContact CD2-CG2 4.33Å |
| 301 | K | 90.9 | Very high | 75.9 | Confident | 122 Ų | 122 | 79.6 Ų | 79.6 | 53% | 0.53 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 164.2 | 172.9 | -59.1 | -178.4 | 179 | 177.9 | 0 | 109.7 | Y235 | Y235-K301 HydrophobicContact CD1-CB 3.92Å; Y235-K301 HydrophobicContact CD1-CD 4.28Å; Y235-K301 HydrophobicContact CD1-CG 4.2Å; Y235-K301 HydrophobicContact CE1-CD 4.41Å; Y235-K301 PolarHBondContact N-O 2.91Å; Y235-K301 PolarHBondContact O-N 3.5Å |
| 302 | W | 91.6 | Very high | 74.2 | Confident | 40 Ų | 40 | 84.6 Ų | 84.6 | 15% | 0.152 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 133.7 | 168.6 | -68.9 | 112.8 | 0 | 0 | 0 | 111 | L223 D224 P226 I231 L234 A280 E281 A284 | L223-W302 HydrophobicContact CD2-CD2 4.42Å; L223-W302 HydrophobicContact CD2-CG 4.31Å; L223-W302 VanDerWaalsContact CD2-NE1 3.33Å; L223-W302 VanDerWaalsContact CG-CD1 3.48Å; L223-W302 HydrophobicContact CG-CG 4.48Å; L223-W302 VanDerWaalsContact CG-NE1 3.34Å; D224-W302 PolarHBondContact O-NE1 2.96Å; P226-W302 VanDerWaalsContact CD-CD2 3.46Å; P226-W302 HydrophobicContact CG-CD2 3.95Å; P226-W302 HydrophobicContact CG-CE3 3.96Å; P226-W302 HydrophobicContact CG-CG 4.28Å; P226-W302 HydrophobicContact CG-CZ3 4.3Å; I231-W302 HydrophobicContact CG2-CE3 4.29Å; L234-W302 HydrophobicContact CD2-CD2 4.22Å; L234-W302 HydrophobicContact CD2-CE3 3.54Å; L234-W302 HydrophobicContact CD2-CH2 4.15Å; L234-W302 HydrophobicContact CD2-CZ3 3.51Å; A280-W302 HydrophobicContact CB-CH2 4.15Å; A280-W302 HydrophobicContact CB-CZ3 3.96Å; E281-W302 HydrophobicContact CB-CH2 4.29Å; E281-W302 HydrophobicContact CG-CH2 3.7Å; E281-W302 HydrophobicContact CG-CZ2 4Å; A284-W302 HydrophobicContact CB-CH2 3.99Å; A284-W302 HydrophobicContact CB-CZ2 3.67Å |
| 303 | G | 85.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 88.4 Ų | 88.4 | 3% | 0.031 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 144.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I231 T233 | I231-G303 VanDerWaalsContact CG2-O 3.24Å; I231-G303 WeakPolarHBondContact CG2-O 3.32Å; T233-G303 WeakPolarHBondContact O-CA 3.37Å; T233-G303 PolarHBondContact O-N 2.95Å |
| 304 | R | 79.9 | Confident | 70.2 | Confident | 189 Ų | 189 | 95.8 Ų | 95.8 | 71% | 0.713 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 135.3 | 169.9 | -63.8 | 179.7 | -178.9 | -109.1 | -5.2 | 108.5 | Q306 E312 | R304-Q306 PolarHBondContact O-N 3.22Å; R304-E312 IonicContact NH1-OE1 2.7Å |
| 305 | S | 64.4 | Low | 68.1 | Low | 58 Ų | 58 | 100.3 Ų | 100.3 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 134.4 | 174.5 | 180 | 0 | 0 | 0 | 0 | 109.9 | A307 A308 | S305-A307 PolarHBondContact O-N 3.3Å; S305-A307 VanDerWaalsContact O-N 3.14Å; S305-A307 PolarHBondContact OG-N 3.45Å; S305-A308 WeakPolarHBondContact O-CB 3.31Å; S305-A308 PolarHBondContact O-N 2.84Å |
| 306 | Q | 61 | Low | 65.9 | Low | 134 Ų | 134 | 104 Ų | 104 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.9 | -26.6 | 174.7 | -71.1 | -73.8 | -6.6 | 0 | 0 | 111.5 | R304 A308 R309 | R304-Q306 PolarHBondContact O-N 3.22Å; Q306-A308 VanDerWaalsContact C-N 3.27Å; Q306-A308 PolarHBondContact O-N 3.09Å; Q306-R309 PolarHBondContact O-N 3.36Å |
| 307 | A | 51.8 | Low | 63.4 | Low | 76 Ų | 76 | 101.7 Ų | 101.7 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -28.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S305 | S305-A307 PolarHBondContact O-N 3.3Å; S305-A307 VanDerWaalsContact O-N 3.14Å; S305-A307 PolarHBondContact OG-N 3.45Å |
| 308 | A | 52.2 | Low | 60.9 | Low | 41 Ų | 41 | 101.3 Ų | 101.3 | 34% | 0.339 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -75.6 | -33.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S305 Q306 G310 K311 E312 | S305-A308 WeakPolarHBondContact O-CB 3.31Å; S305-A308 PolarHBondContact O-N 2.84Å; Q306-A308 VanDerWaalsContact C-N 3.27Å; Q306-A308 PolarHBondContact O-N 3.09Å; A308-G310 PolarHBondContact O-N 3.42Å; A308-K311 PolarHBondContact O-N 3.31Å; A308-K311 VanDerWaalsContact O-N 3.08Å; A308-E312 PolarHBondContact O-N 3.4Å; A308-E312 VanDerWaalsContact O-N 3.09Å |
| 309 | R | 51 | Low | 58.3 | Low | 155 Ų | 155 | 106.9 Ų | 106.9 | 59% | 0.585 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.9 | -24.6 | 178.6 | -124.7 | -175.1 | 170.6 | -161.2 | -2.8 | 113.3 | Q306 | Q306-R309 PolarHBondContact O-N 3.36Å |
| 310 | G | 45.3 | Very low | 55.6 | Low | 51 Ų | 51 | 110.8 Ų | 110.8 | 53% | 0.526 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74 | -32.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | A308 | A308-G310 PolarHBondContact O-N 3.42Å |
| 311 | K | 48.7 | Very low | 53 | Low | 172 Ų | 172 | 116 Ų | 116 | 75% | 0.748 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -86.5 | -25.9 | -179.4 | -77.8 | -172.8 | 174.6 | -177.1 | 0 | 114.2 | A308 | A308-K311 PolarHBondContact O-N 3.31Å; A308-K311 VanDerWaalsContact O-N 3.08Å |
| 312 | E | 48.8 | Very low | 50.4 | Low | 113 Ų | 113 | 113.6 Ų | 113.6 | 53% | 0.528 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -75.9 | -28.2 | 176.8 | -73.6 | 177.3 | 164.9 | 0 | 0 | 112.4 | R304 A308 E314 | R304-E312 IonicContact NH1-OE1 2.7Å; A308-E312 PolarHBondContact O-N 3.4Å; A308-E312 VanDerWaalsContact O-N 3.09Å; E312-E314 VanDerWaalsContact C-N 3.33Å; E312-E314 PolarHBondContact O-N 3.07Å |
| 313 | K | 46.2 | Very low | 48.2 | Very low | 176 Ų | 176 | 119.3 Ų | 119.3 | 77% | 0.765 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -14.2 | 178.9 | -89.4 | -169.8 | 170.3 | -167.9 | 0 | 115.3 | ||
| 314 | E | 42.9 | Very low | 46 | Very low | 175 Ų | 175 | 128.5 Ų | 128.5 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -5.3 | -179.3 | -138.5 | 174.1 | -168 | 0 | 0 | 113 | E312 | E312-E314 VanDerWaalsContact C-N 3.33Å; E312-E314 PolarHBondContact O-N 3.07Å |
| 315 | K | 39.7 | Very low | 44.8 | Very low | 196 Ų | 196 | 126.5 Ų | 126.5 | 85% | 0.852 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -106 | 3.9 | 175.7 | -100.4 | -173.1 | 175.5 | -174.6 | 0 | 114.6 | ||
| 316 | D | 37.4 | Very low | 44.3 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -124.6 | 40.6 | -173.5 | -147.5 | 24.4 | 0 | 0 | 0 | 111.8 | ||
| 317 | G | 33.3 | Very low | 43.8 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | trans | -132.3 | 42.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 318 | T | 36 | Very low | 43.9 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -156.6 | 117.3 | 166 | -60.5 | 0 | 0 | 0 | 0 | 108.8 | ||
| 319 | T | 35.4 | Very low | 43.7 | Very low | 118 Ų | 118 | 138 Ų | 138 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | 66.7 | 101.7 | 160.7 | 56.3 | 0 | 0 | 0 | 0 | 120 | S321 | T319-S321 PolarHBondContact O-N 3.06Š| ||
| 320 | D | 34.2 | Very low | 43.9 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | -4 | 103.4 | 122.8 | -175.5 | 43 | 0 | 0 | 0 | 114.5 | |||||
| 321 | S | 37.8 | Very low | 44.3 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -172 | 119.9 | 160 | -82 | 0 | 0 | 0 | 0 | 109.6 | T319 | T319-S321 PolarHBondContact O-N 3.06Š| ||
| 322 | G | 35.3 | Very low | 44.4 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | -55.3 | 153.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | K324 | G322-K324 PolarHBondContact O-N 3.25Š| ||
| 323 | I | 46.7 | Very low | 44.8 | Very low | 159 Ų | 159 | 135 Ų | 135 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -52.9 | 101.5 | 173.4 | -58.6 | 169.3 | 0 | 0 | 0 | 108.9 | L325 | I323-L325 VanDerWaalsContact C-N 3.33Å; I323-L325 HydrophobicContact CG2-CG 4.2Å; I323-L325 PolarHBondContact O-N 3.5Å | ||
| 324 | K | 38.4 | Very low | 45.2 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | trans | -76.9 | 85.8 | 172 | -167.6 | 178.7 | -177.3 | -173.4 | 0 | 108.3 | G322 | G322-K324 PolarHBondContact O-N 3.25Š| ||
| 325 | L | 53.4 | Low | 45.4 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 133.7 | 162.6 | -75.4 | 154.7 | 0 | 0 | 0 | 108.2 | I323 | I323-L325 VanDerWaalsContact C-N 3.33Å; I323-L325 HydrophobicContact CG2-CG 4.2Å; I323-L325 PolarHBondContact O-N 3.5Å |
| 326 | E | 55.2 | Low | 46.4 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 129.4 | 175.9 | -66.9 | -150 | 128.2 | 0 | 0 | 110.4 | V328 | E326-V328 PolarHBondContact O-N 2.99Š|
| 327 | P | 50.5 | Low | 47.4 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 125.7 | 180 | -12.5 | 27.1 | 0 | 0 | 0 | 110.2 | P329 | P327-P329 VanDerWaalsContact O-CD 3.32Å; P327-P329 WeakPolarHBondContact O-CD 3.44Å |
| 328 | V | 54.5 | Low | 48.3 | Very low | 126 Ų | 126 | 128 Ų | 128 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.8 | 170.1 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | E326 G330 | E326-V328 PolarHBondContact O-N 2.99Å; V328-G330 PolarHBondContact O-N 3.19Å |
| 329 | P | 47.1 | Very low | 49 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 118.6 | 178.3 | -23.1 | 33.8 | 0 | 0 | 0 | 110.7 | P327 | P327-P329 VanDerWaalsContact O-CD 3.32Å; P327-P329 WeakPolarHBondContact O-CD 3.44Å |
| 330 | G | 54.9 | Low | 49.1 | Very low | 80 Ų | 80 | 127.5 Ų | 127.5 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.7 | 5 | 170 | 0 | 0 | 0 | 0 | 0 | 117.7 | V328 | V328-G330 PolarHBondContact O-N 3.19Š|
| 331 | L | 54.5 | Low | 49.3 | Very low | 157 Ų | 157 | 123 Ų | 123 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -105.8 | 126.3 | 175.9 | -144.5 | 74.8 | 0 | 0 | 0 | 111.1 | G333 | L331-G333 PolarHBondContact O-N 2.99Š| ||
| 332 | P | 50.6 | Low | 49.2 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 136 | -179.4 | 15.2 | -18.1 | 0 | 0 | 0 | 111.2 | ||
| 333 | G | 57.4 | Low | 49.2 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 152.2 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | L331 | L331-G333 PolarHBondContact O-N 2.99Š|
| 334 | A | 53.4 | Low | 48.6 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 130.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 335 | L | 48.5 | Very low | 48.6 | Very low | 163 Ų | 163 | 127 Ų | 127 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63 | 145.9 | 176.8 | -71.9 | 163.1 | 0 | 0 | 0 | 111.5 | ||
| 336 | P | 60.1 | Low | 47.9 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 150.5 | 179.3 | 29.1 | -34 | 0 | 0 | 0 | 111.7 | ||
| 337 | P | 57.9 | Low | 47.4 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 140.2 | 177.2 | 30.4 | -32.7 | 0 | 0 | 0 | 110.1 | ||
| 338 | P | 53.4 | Low | 47.3 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 150.6 | 179.2 | 30.1 | -32.2 | 0 | 0 | 0 | 111.5 | ||
| 339 | P | 49 | Very low | 47.2 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74 | 148.3 | -175.7 | 30.8 | -33.3 | 0 | 0 | 0 | 112.1 | A341 | P339-A341 PolarHBondContact O-N 3.37Š|
| 340 | A | 37.9 | Very low | 47.1 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -77 | 108.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 341 | A | 38.8 | Very low | 46.6 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 57% | 0.57 | 80% | 0.795 | S | S | * | * | trans | -164.1 | 112.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P339 | P339-A341 PolarHBondContact O-N 3.37Š| ||
| 342 | E | 35.5 | Very low | 46.5 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 48.3 | 121.2 | 131.2 | 35.6 | -166.6 | 173.3 | 0 | 0 | 120.4 | ||||
| 343 | E | 36 | Very low | 46.6 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | 68.8 | 122.9 | 147.4 | -69.1 | -178.4 | 142 | 0 | 0 | 120.6 | ||||
| 344 | E | 34 | Very low | 46 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | 46.8 | 100.4 | 138.2 | -56.1 | -166.2 | 150.2 | 0 | 0 | 118.6 | ||||
| 345 | A | 39.1 | Very low | 45.7 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | 177.3 | 133.3 | 121.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 346 | S | 38.8 | Very low | 45.6 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -46.6 | 129.6 | 169.3 | 51.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 347 | A | 43.8 | Very low | 45.1 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -146.3 | 85 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y349 | A347-Y349 PolarHBondContact O-N 2.72Å; A347-Y349 VanDerWaalsContact O-N 3.16Å | ||
| 348 | N | 48.1 | Very low | 44.3 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -67.4 | 101 | 170.6 | -67.1 | -52.1 | 0 | 0 | 0 | 109.8 | ||||
| 349 | Y | 52.9 | Low | 43.7 | Very low | 213 Ų | 213 | 132 Ų | 132 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -83.9 | -16.1 | 176.2 | -170.4 | -100 | 0 | 0 | 0 | 113.3 | A347 | A347-Y349 PolarHBondContact O-N 2.72Å; A347-Y349 VanDerWaalsContact O-N 3.16Å | ||
| 350 | F | 44.4 | Very low | 43.2 | Very low | 165 Ų | 165 | 133 Ų | 133 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -117.6 | 108.2 | 174.3 | -99.1 | -92.7 | 0 | 0 | 0 | 110.5 | L352 | F350-L352 PolarHBondContact O-N 3.05Š|
| 351 | N | 44 | Very low | 43.6 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -64.8 | 74.5 | -168.3 | -143.1 | -26.8 | 0 | 0 | 0 | 113.6 | ||||
| 352 | L | 53.3 | Low | 43.6 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | -135.9 | 129.9 | 177 | -78.7 | 139.8 | 0 | 0 | 0 | 111.5 | F350 | F350-L352 PolarHBondContact O-N 3.05Š| ||
| 353 | P | 52.9 | Low | 44 | Very low | 125 Ų | 125 | 136 Ų | 136 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -80.5 | 149.1 | -165.4 | 31.3 | -35.3 | 0 | 0 | 0 | 114.3 | ||||
| 354 | P | 45.2 | Very low | 44 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -106.8 | 143.1 | -171.1 | 38.3 | -29.3 | 0 | 0 | 0 | 114.6 | ||||
| 355 | S | 46 | Very low | 44.9 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -167.4 | 137.3 | 157.3 | 60.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 356 | G | 46.4 | Very low | 45.7 | Very low | 69 Ų | 69 | 131.9 Ų | 131.9 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | -166.1 | 172.6 | -1.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 357 | P | 49.3 | Very low | 46.5 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | trans | -93.8 | 173.6 | -145.3 | 37.6 | -36.9 | 0 | 0 | 0 | 115.8 | ||||
| 358 | P | 40.6 | Very low | 47.8 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -96.7 | 148 | -156.3 | 36.8 | -30.5 | 0 | 0 | 0 | 113.3 | ||||
| 359 | A | 42.3 | Very low | 48.1 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -119.2 | 116.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 360 | V | 38.2 | Very low | 47.6 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -40.7 | 127.6 | 160.9 | -99.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 361 | V | 45.4 | Very low | 48 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | trans | -155.2 | 120.2 | 145.9 | -112.6 | 0 | 0 | 0 | 0 | 110.7 | I363 | V361-I363 PolarHBondContact O-N 3.28Š| ||
| 362 | N | 38.9 | Very low | 48.5 | Very low | 172 Ų | 172 | 122.1 Ų | 122.1 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | trans | -49.9 | 126.9 | 160 | -99 | -14.3 | 0 | 0 | 0 | 110 | ||||
| 363 | I | 45.3 | Very low | 49 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | trans | -139.1 | 102.1 | 168 | -56.8 | -178.4 | 0 | 0 | 0 | 109 | V361 L365 | V361-I363 PolarHBondContact O-N 3.28Å; I363-L365 HydrophobicContact CG2-CB 4.05Å; I363-L365 HydrophobicContact CG2-CD1 3.21Å; I363-L365 HydrophobicContact CG2-CG 4.12Å | ||
| 364 | A | 36.2 | Very low | 49.9 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -67.6 | 124.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 365 | L | 51.4 | Low | 51.2 | Low | 151 Ų | 151 | 120.1 Ų | 120.1 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -138.1 | 147.3 | 173.6 | -128.2 | 81.9 | 0 | 0 | 0 | 110.4 | I363 | I363-L365 HydrophobicContact CG2-CB 4.05Å; I363-L365 HydrophobicContact CG2-CD1 3.21Å; I363-L365 HydrophobicContact CG2-CG 4.12Å | ||
| 366 | P | 56.2 | Low | 52.1 | Low | 108 Ų | 108 | 119.4 Ų | 119.4 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -95.7 | -179.4 | -154.2 | 43.7 | -39.3 | 0 | 0 | 0 | 112.8 | ||||
| 367 | P | 55.9 | Low | 52.4 | Low | 117 Ų | 117 | 122.6 Ų | 122.6 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 161.4 | -165.8 | 33.6 | -30.9 | 0 | 0 | 0 | 113 | ||
| 368 | P | 70.2 | Confident | 52.6 | Low | 118 Ų | 118 | 119.9 Ų | 119.9 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 153.4 | -171.4 | 30.7 | -34.7 | 0 | 0 | 0 | 112.9 | ||
| 369 | P | 55.2 | Low | 52.9 | Low | 124 Ų | 124 | 124.5 Ų | 124.5 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 142.5 | 178.9 | 1 | 14.4 | 0 | 0 | 0 | 111.6 | ||
| 370 | G | 43.1 | Very low | 53 | Low | 81 Ų | 81 | 123.4 Ų | 123.4 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 371 | I | 52.9 | Low | 53.3 | Low | 167 Ų | 167 | 121.4 Ų | 121.4 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -119.1 | 114.9 | 155.1 | -63.3 | 175.4 | 0 | 0 | 0 | 105.4 | ||||
| 372 | A | 54.1 | Low | 53.3 | Low | 88 Ų | 88 | 123.1 Ų | 123.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 143.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 373 | P | 63.4 | Low | 53.9 | Low | 115 Ų | 115 | 123.6 Ų | 123.6 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 148 | 173.3 | 31.8 | -32.6 | 0 | 0 | 0 | 110.9 | ||
| 374 | P | 71.5 | Confident | 53.9 | Low | 121 Ų | 121 | 127.3 Ų | 127.3 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 144.6 | 174 | 29.7 | -33.1 | 0 | 0 | 0 | 110.8 | ||
| 375 | P | 72.5 | Confident | 54.8 | Low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 156.1 | 179 | 30.2 | -33.6 | 0 | 0 | 0 | 112.3 | ||
| 376 | P | 64.8 | Low | 54.9 | Low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 161.1 | -175.8 | 31 | -34 | 0 | 0 | 0 | 113 | G378 | P376-G378 PolarHBondContact O-N 3.1Š|
| 377 | P | 54 | Low | 54.7 | Low | 135 Ų | 135 | 133.3 Ų | 133.3 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -74.3 | 113.8 | -169.8 | -5.3 | 21.6 | 0 | 0 | 0 | 111.5 | ||||
| 378 | G | 51.9 | Low | 54.8 | Low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | -87.2 | 131.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P376 G380 | P376-G378 PolarHBondContact O-N 3.1Å; G378-G380 PolarHBondContact O-N 3.46Å | ||
| 379 | F | 47 | Very low | 54.5 | Low | 226 Ų | 226 | 131.1 Ų | 131.1 | 99% | 0.991 | 80% | 0.8 | S | S | * | * | trans | -53.4 | 125.2 | 166 | -93.3 | -109 | 0 | 0 | 0 | 111.1 | ||||
| 380 | G | 46.1 | Very low | 55.1 | Low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -165.8 | 128.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G378 | G378-G380 PolarHBondContact O-N 3.46Š| ||
| 381 | P | 44.6 | Very low | 56 | Low | 101 Ų | 101 | 132.5 Ų | 132.5 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | trans | -106.4 | 152.1 | -154.5 | 46 | -39.8 | 0 | 0 | 0 | 112.8 | ||||
| 382 | H | 43.5 | Very low | 55.6 | Low | 158 Ų | 158 | 129.4 Ų | 129.4 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | trans | 33.3 | 106.3 | 161.3 | 54.9 | -93 | 0 | 0 | 0 | 119.2 | ||||
| 383 | M | 51.3 | Low | 55.3 | Low | 181 Ų | 181 | 134.7 Ų | 134.7 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | trans | -137.9 | 122.4 | 142.7 | -76.6 | -150.1 | -172.2 | 0 | 0 | 111 | ||||
| 384 | F | 46.8 | Very low | 54.6 | Low | 201 Ų | 201 | 138.3 Ų | 138.3 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -65.5 | 127.3 | 170.6 | -90.4 | -107 | 0 | 0 | 0 | 110.2 | ||||
| 385 | H | 54.8 | Low | 53.3 | Low | 171 Ų | 171 | 144.6 Ų | 144.6 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -127.2 | 135.5 | 157.3 | -80.2 | -14.1 | 0 | 0 | 0 | 110.5 | ||||
| 386 | P | 52.8 | Low | 52.1 | Low | 125 Ų | 125 | 143 Ų | 143 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 143.5 | -169.6 | 34.4 | -35.3 | 0 | 0 | 0 | 111.9 | G388 | P386-G388 PolarHBondContact O-N 3.33Š|
| 387 | M | 51.8 | Low | 51.7 | Low | 193 Ų | 193 | 143.6 Ų | 143.6 | 95% | 0.951 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 119.1 | 178.3 | -70.3 | -75.5 | -169.1 | 0 | 0 | 111.6 | ||
| 388 | G | 58.3 | Low | 52 | Low | 62 Ų | 62 | 139.7 Ų | 139.7 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 155.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P386 | P386-G388 PolarHBondContact O-N 3.33Š|
| 389 | P | 64.9 | Low | 52.6 | Low | 127 Ų | 127 | 142.5 Ų | 142.5 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 150.1 | -170.9 | 32.3 | -33.5 | 0 | 0 | 0 | 112.3 | ||
| 390 | P | 67.9 | Low | 53.2 | Low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 152.8 | 179 | 32.5 | -32.7 | 0 | 0 | 0 | 111.8 | ||
| 391 | P | 61.7 | Low | 53.8 | Low | 114 Ų | 114 | 141.1 Ų | 141.1 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 152.8 | -176.7 | 30.9 | -36 | 0 | 0 | 0 | 112.2 | ||
| 392 | P | 43.6 | Very low | 54.7 | Low | 103 Ų | 103 | 142.2 Ų | 142.2 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -71.7 | 161.3 | 174.9 | 33.7 | -31.9 | 0 | 0 | 0 | 108.9 | ||
| 393 | F | 47.9 | Very low | 55.7 | Low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.873 | 77% | 0.765 | S | S | * | * | trans | 90.7 | 57.3 | -178.7 | -54.3 | -79.5 | 0 | 0 | 0 | 116.9 | ||||
| 394 | M | 48.2 | Very low | 56.5 | Low | 190 Ų | 190 | 134.3 Ų | 134.3 | 94% | 0.936 | 75% | 0.75 | S | S | * | * | trans | -144.2 | 121.6 | 135.6 | -80.1 | -150.5 | 160.2 | 0 | 0 | 110.1 | A396 | M394-A396 PolarHBondContact O-N 3.39Š| ||
| 395 | R | 44.4 | Very low | 57.2 | Low | 253 Ų | 253 | 130.7 Ų | 130.7 | 96% | 0.955 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 116.7 | -178.3 | -141.7 | 173.3 | -174.8 | -172.1 | 0.9 | 108.9 | ||
| 396 | A | 48.6 | Very low | 57.5 | Low | 85 Ų | 85 | 125.8 Ų | 125.8 | 70% | 0.702 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | M394 G398 | M394-A396 PolarHBondContact O-N 3.39Å; A396-G398 PolarHBondContact O-N 2.92Å |
| 397 | P | 54.9 | Low | 57.8 | Low | 129 Ų | 129 | 125.3 Ų | 125.3 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 121.9 | 166.6 | 26.5 | -28.4 | 0 | 0 | 0 | 107.7 | ||
| 398 | G | 61.2 | Low | 58.3 | Low | 53 Ų | 53 | 124.7 Ų | 124.7 | 55% | 0.546 | 71% | 0.707 | S | S | . | * | P | Polyproline II helix | trans | -56.5 | 163.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A396 I400 | A396-G398 PolarHBondContact O-N 2.92Å; G398-I400 PolarHBondContact O-N 3.23Å |
| 399 | P | 64.5 | Low | 58.3 | Low | 133 Ų | 133 | 131.3 Ų | 131.3 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 126 | -176.7 | 23.6 | -31.7 | 0 | 0 | 0 | 110.5 | H401 | P399-H401 PolarHBondContact O-N 3.3Š|
| 400 | I | 58.5 | Low | 57.6 | Low | 131 Ų | 131 | 133.2 Ų | 133.2 | 67% | 0.672 | 71% | 0.713 | S | S | * | * | trans | -63.9 | 103.3 | 176.2 | -61.4 | 171.4 | 0 | 0 | 0 | 108 | G398 Y402 | G398-I400 PolarHBondContact O-N 3.23Å; I400-Y402 HydrophobicContact CG2-CD2 3.97Å; I400-Y402 HydrophobicContact CG2-CE2 3.72Å; I400-Y402 PolarHBondContact O-N 3.21Å | ||
| 401 | H | 58.8 | Low | 56.3 | Low | 135 Ų | 135 | 131.4 Ų | 131.4 | 63% | 0.625 | 72% | 0.716 | S | S | * | * | trans | -70.9 | 109.9 | 175.6 | -177.6 | 69.4 | 0 | 0 | 0 | 109.6 | P399 | P399-H401 PolarHBondContact O-N 3.3Š| ||
| 402 | Y | 65.1 | Low | 55.5 | Low | 124 Ų | 124 | 130.7 Ų | 130.7 | 49% | 0.486 | 72% | 0.719 | S | S | . | * | trans | -88.7 | 133.4 | 174.7 | -91.6 | -88.9 | 0 | 0 | 0 | 110.1 | I400 S404 Q405 | I400-Y402 HydrophobicContact CG2-CD2 3.97Å; I400-Y402 HydrophobicContact CG2-CE2 3.72Å; I400-Y402 PolarHBondContact O-N 3.21Å; Y402-S404 PolarHBondContact O-N 2.79Å; Y402-Q405 WeakPolarHBondContact O-CB 3.38Å; Y402-Q405 PolarHBondContact O-N 3.09Å | ||
| 403 | P | 63.4 | Low | 55.5 | Low | 91 Ų | 91 | 135.4 Ų | 135.4 | 59% | 0.591 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 1.2 | 175.6 | -26.7 | 35 | 0 | 0 | 0 | 116.5 | ||
| 404 | S | 68.6 | Low | 55.5 | Low | 82 Ų | 82 | 130.3 Ų | 130.3 | 57% | 0.573 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -2.8 | 172.8 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | Y402 | Y402-S404 PolarHBondContact O-N 2.79Š|
| 405 | Q | 60.3 | Low | 55.2 | Low | 125 Ų | 125 | 124.8 Ų | 124.8 | 58% | 0.584 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -95.2 | 0.8 | 176.9 | -67.3 | -178.9 | -0.5 | 0 | 0 | 112.8 | Y402 P407 | Y402-Q405 WeakPolarHBondContact O-CB 3.38Å; Y402-Q405 PolarHBondContact O-N 3.09Å; Q405-P407 VanDerWaalsContact O-CD 3.24Å; Q405-P407 WeakPolarHBondContact O-CD 3.4Å |
| 406 | D | 61.2 | Low | 55.2 | Low | 68 Ų | 68 | 122.4 Ų | 122.4 | 36% | 0.364 | 72% | 0.715 | S | S | . | * | trans | -82.6 | 109.7 | 175.1 | -167 | -14.5 | 0 | 0 | 0 | 110.2 | Q408 R409 | D406-Q408 PolarHBondContact O-N 3.19Å; D406-Q408 VanDerWaalsContact O-N 3.17Å; D406-Q408 PolarHBondContact OD1-N 3.28Å; D406-Q408 VanDerWaalsContact OD1-N 3.11Å; D406-R409 PolarHBondContact O-N 3.38Å | ||
| 407 | P | 59.5 | Low | 55 | Low | 115 Ų | 115 | 127.3 Ų | 127.3 | 75% | 0.747 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -65.4 | -14.9 | -179.2 | -16.6 | 31.8 | 0 | 0 | 0 | 113.1 | Q405 | Q405-P407 VanDerWaalsContact O-CD 3.24Å; Q405-P407 WeakPolarHBondContact O-CD 3.4Å |
| 408 | Q | 63.4 | Low | 54.6 | Low | 180 Ų | 180 | 126.5 Ų | 126.5 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -83.4 | -7.5 | -177.6 | -68.1 | -178.3 | -33.6 | 0 | 0 | 114 | D406 | D406-Q408 PolarHBondContact O-N 3.19Å; D406-Q408 VanDerWaalsContact O-N 3.17Å; D406-Q408 PolarHBondContact OD1-N 3.28Å; D406-Q408 VanDerWaalsContact OD1-N 3.11Å |
| 409 | R | 57.7 | Low | 54.5 | Low | 202 Ų | 202 | 129 Ų | 129 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -99.7 | -4.4 | -177.3 | -150.8 | 175.7 | -170.3 | -151.4 | 4.3 | 114.6 | D406 | D406-R409 PolarHBondContact O-N 3.38Š|
| 410 | M | 49.2 | Very low | 54.1 | Low | 167 Ų | 167 | 132.1 Ų | 132.1 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -100.8 | 102.9 | 176.6 | -71.6 | -122.1 | -106.3 | 0 | 0 | 110.7 | ||
| 411 | G | 40.6 | Very low | 53.9 | Low | 81 Ų | 81 | 132.2 Ų | 132.2 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | 94.1 | 81.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 412 | A | 44.9 | Very low | 53.6 | Low | 99 Ų | 99 | 132.1 Ų | 132.1 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -134.3 | 61.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 413 | H | 43.7 | Very low | 53 | Low | 201 Ų | 201 | 132.5 Ų | 132.5 | 93% | 0.931 | 78% | 0.776 | S | S | * | * | trans | -103.7 | 67.8 | 151.7 | -83 | -67.1 | 0 | 0 | 0 | 107.6 | G415 | H413-G415 PolarHBondContact O-N 2.97Š| ||
| 414 | A | 48.9 | Very low | 52.3 | Low | 92 Ų | 92 | 134.9 Ų | 134.9 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -78.1 | 106 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107 | K416 | A414-K416 PolarHBondContact O-N 3.4Š| ||
| 415 | G | 41 | Very low | 51.3 | Low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -59.3 | 117 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | H413 | H413-G415 PolarHBondContact O-N 2.97Š| ||
| 416 | K | 46 | Very low | 50.7 | Low | 202 Ų | 202 | 139.1 Ų | 139.1 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -88.9 | 97.2 | 159.2 | -76.3 | -173 | 175.7 | -176.8 | 0 | 107.4 | A414 | A414-K416 PolarHBondContact O-N 3.4Š| ||
| 417 | H | 43.6 | Very low | 50 | Low | 189 Ų | 189 | 144.2 Ų | 144.2 | 88% | 0.875 | 85% | 0.847 | S | S | * | * | trans | -71.8 | 119.7 | 154.6 | -97.7 | -79.3 | 0 | 0 | 0 | 107.9 | ||||
| 418 | S | 46.9 | Very low | 49.2 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 78% | 0.776 | 85% | 0.854 | S | S | * | * | trans | -140.6 | 114.9 | 156.2 | 55.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 419 | S | 58 | Low | 48.1 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 86% | 0.855 | S | S | * | * | trans | -129.9 | 158.5 | 165.1 | -67.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 420 | P | 56.1 | Low | 47.2 | Very low | 200 Ų | 200 | 138.4 Ų | 138.4 | 100% | 1.299 | 86% | 0.864 | S | S | * | * | cis | -87.6 | 0 | 2.9 | 32.1 | -27.3 | 0 | 0 | 0 | 114.9 |
Retrieved 420 of 420 residues in 834.2 ms
(Link to these results)