| 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 | 46.2 | Very low | 230 Ų | 230 | 153.7 Ų | 153.7 | 100% | 1.133 | 73% | 0.731 | S | S | * | * | 0 | 107.5 | 0 | -75.8 | 173.1 | 177.3 | 0 | 0 | 107.1 | Y3 | M1-Y3 PolarHBondContact O-N 3.23Š| |||
| 2 | S | 45.3 | Very low | 46.5 | Very low | 108 Ų | 108 | 152.1 Ų | 152.1 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | -69.1 | 119.1 | 165.5 | 56.4 | 0 | 0 | 0 | 0 | 106.2 | R4 | S2-R4 VanDerWaalsContact C-N 3.27Å; S2-R4 PolarHBondContact O-N 2.98Å | ||
| 3 | Y | 46.6 | Very low | 47 | Very low | 219 Ų | 219 | 144.5 Ų | 144.5 | 86% | 0.859 | 71% | 0.708 | S | S | * | * | trans | -60.6 | 102.7 | 164.9 | -75.4 | -88.2 | 0 | 0 | 0 | 105.3 | M1 Y5 | M1-Y3 PolarHBondContact O-N 3.23Å; Y3-Y5 PolarHBondContact O-N 3.35Å | ||
| 4 | R | 49.6 | Very low | 48.1 | Very low | 225 Ų | 225 | 139.4 Ų | 139.4 | 85% | 0.849 | 69% | 0.691 | S | S | * | * | trans | -62.1 | 98.3 | 167.1 | -80.2 | -174 | -179.4 | 179.8 | 0.5 | 104.9 | S2 I6 | S2-R4 VanDerWaalsContact C-N 3.27Å; S2-R4 PolarHBondContact O-N 2.98Å; R4-I6 WeakPolarHBondContact O-CG1 3.09Å; R4-I6 PolarHBondContact O-N 2.88Å | ||
| 5 | Y | 46.3 | Very low | 49.3 | Very low | 179 Ų | 179 | 145.7 Ų | 145.7 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | trans | -54.5 | 105.9 | 174.4 | -149.1 | -102.8 | 0 | 0 | 0 | 106.1 | Y3 P7 I10 | Y3-Y5 PolarHBondContact O-N 3.35Å; Y5-P7 WeakPolarHBondContact O-CD 3.29Å; Y5-I10 HydrophobicContact CD1-CD1 4.07Å; Y5-I10 HydrophobicContact CE1-CD1 3.15Å; Y5-I10 HydrophobicContact CE2-CD1 4.48Å; Y5-I10 VanDerWaalsContact CZ-CD1 3.4Å; Y5-I10 VanDerWaalsContact OH-CD1 3.28Å; Y5-I10 WeakPolarHBondContact OH-CD1 3.19Å | ||
| 6 | I | 49.8 | Very low | 51.2 | Low | 97 Ų | 97 | 139.2 Ų | 139.2 | 50% | 0.497 | 67% | 0.674 | S | S | . | * | trans | -82.4 | 103 | 178.6 | -56.2 | -178.9 | 0 | 0 | 0 | 105.5 | R4 S8 L9 | R4-I6 WeakPolarHBondContact O-CG1 3.09Å; R4-I6 PolarHBondContact O-N 2.88Å; I6-S8 WeakPolarHBondContact CG2-OG 3.49Å; I6-S8 PolarHBondContact O-N 3.48Å; I6-L9 HydrophobicContact CB-CD1 4.07Å; I6-L9 HydrophobicContact CB-CG 4.3Å; I6-L9 HydrophobicContact CD1-CD1 4.26Å; I6-L9 HydrophobicContact CG2-CG 4.35Å; I6-L9 PolarHBondContact O-N 3.28Å; I6-L9 VanDerWaalsContact O-N 3.15Å | ||
| 7 | P | 46 | Very low | 52.9 | Low | 99 Ų | 99 | 143.5 Ų | 143.5 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -65.4 | -20 | -171 | -19.7 | 35.5 | 0 | 0 | 0 | 112.3 | Y5 L9 I10 | Y5-P7 WeakPolarHBondContact O-CD 3.29Å; P7-L9 PolarHBondContact O-N 3.41Å; P7-I10 PolarHBondContact O-N 2.87Å |
| 8 | S | 46.8 | Very low | 54.7 | Low | 85 Ų | 85 | 139.2 Ų | 139.2 | 59% | 0.594 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -70.6 | -24.7 | 178.5 | 60.5 | 0 | 0 | 0 | 0 | 114 | I6 I10 R11 | I6-S8 WeakPolarHBondContact CG2-OG 3.49Å; I6-S8 PolarHBondContact O-N 3.48Å; S8-I10 PolarHBondContact O-N 3.43Å; S8-R11 PolarHBondContact O-N 3.13Å |
| 9 | L | 47.4 | Very low | 56.4 | Low | 130 Ų | 130 | 141.9 Ų | 141.9 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -70.1 | -17.3 | 177.2 | -72.4 | 171.9 | 0 | 0 | 0 | 113.1 | I6 P7 | I6-L9 HydrophobicContact CB-CD1 4.07Å; I6-L9 HydrophobicContact CB-CG 4.3Å; I6-L9 HydrophobicContact CD1-CD1 4.26Å; I6-L9 HydrophobicContact CG2-CG 4.35Å; I6-L9 PolarHBondContact O-N 3.28Å; I6-L9 VanDerWaalsContact O-N 3.15Å; P7-L9 PolarHBondContact O-N 3.41Å |
| 10 | I | 45.9 | Very low | 58.2 | Low | 93 Ų | 93 | 135.7 Ų | 135.7 | 48% | 0.477 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -98.2 | -1.7 | -176.3 | -58.5 | 172.4 | 0 | 0 | 0 | 112.3 | Y5 P7 S8 N12 | Y5-I10 HydrophobicContact CD1-CD1 4.07Å; Y5-I10 HydrophobicContact CE1-CD1 3.15Å; Y5-I10 HydrophobicContact CE2-CD1 4.48Å; Y5-I10 VanDerWaalsContact CZ-CD1 3.4Å; Y5-I10 VanDerWaalsContact OH-CD1 3.28Å; Y5-I10 WeakPolarHBondContact OH-CD1 3.19Å; P7-I10 PolarHBondContact O-N 2.87Å; S8-I10 PolarHBondContact O-N 3.43Å; I10-N12 PolarHBondContact O-N 2.8Å |
| 11 | R | 46.8 | Very low | 60 | Low | 226 Ų | 226 | 132.9 Ų | 132.9 | 85% | 0.853 | 64% | 0.638 | S | S | * | * | trans | -72.3 | 56.4 | 164.2 | -72.2 | -168 | -175.9 | -173.3 | 3.2 | 110.5 | S8 A13 | S8-R11 PolarHBondContact O-N 3.13Å; R11-A13 PolarHBondContact O-N 3.14Å | ||
| 12 | N | 49.8 | Very low | 62.7 | Low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | trans | -64.7 | 70.3 | 153.6 | -72.6 | -30 | 0 | 0 | 0 | 107.2 | I10 P14 | I10-N12 PolarHBondContact O-N 2.8Å; N12-P14 WeakPolarHBondContact O-CD 3.31Å; N12-P14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | A | 53.7 | Low | 65 | Low | 53 Ų | 53 | 120.9 Ų | 120.9 | 44% | 0.438 | 57% | 0.567 | S | S | . | * | trans | -57.3 | 114.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 104.4 | R11 R15 | R11-A13 PolarHBondContact O-N 3.14Å; A13-R15 PolarHBondContact O-N 2.68Å | ||
| 14 | P | 62.4 | Low | 67.3 | Low | 74 Ų | 74 | 111.6 Ų | 111.6 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 117.1 | -175.7 | 17.9 | -30.3 | 0 | 0 | 0 | 108.2 | N12 L16 I555 F557 | N12-P14 WeakPolarHBondContact O-CD 3.31Å; N12-P14 VanDerWaalsContact O-N 3.08Å; P14-L16 PolarHBondContact O-N 3.4Å; P14-L16 VanDerWaalsContact O-N 3.11Å; P14-I555 HydrophobicContact CG-CD1 3.51Å; P14-F557 HydrophobicContact CG-CE1 4.21Å |
| 15 | R | 66.4 | Low | 69.4 | Low | 233 Ų | 233 | 108.5 Ų | 108.5 | 88% | 0.879 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 117 | 173.2 | -77.8 | -172.9 | 176.2 | -175.1 | -0.9 | 107 | A13 K17 | A13-R15 PolarHBondContact O-N 2.68Å; R15-K17 PolarHBondContact O-N 3.42Å |
| 16 | L | 79.6 | Confident | 71.6 | Confident | 42 Ų | 42 | 101.9 Ų | 101.9 | 22% | 0.22 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 123.8 | 173.8 | -65.1 | 175.6 | 0 | 0 | 0 | 108.7 | P14 T18 I23 T29 L43 F557 | P14-L16 PolarHBondContact O-N 3.4Å; P14-L16 VanDerWaalsContact O-N 3.11Å; L16-T18 VanDerWaalsContact C-N 3.32Å; L16-I23 HydrophobicContact CD1-CD1 3.85Å; L16-I23 HydrophobicContact CD1-CG1 4.18Å; L16-I23 HydrophobicContact CD1-CG2 4.39Å; L16-T29 HydrophobicContact CD2-CG2 3.32Å; L16-L43 HydrophobicContact CD1-CD1 4.23Å; L16-L43 HydrophobicContact CD1-CD2 3.72Å; L16-F557 HydrophobicContact CD1-CB 3.52Å; L16-F557 HydrophobicContact CD1-CD1 3.77Å; L16-F557 HydrophobicContact CD1-CD2 4.17Å; L16-F557 HydrophobicContact CD1-CE1 4.48Å; L16-F557 HydrophobicContact CD1-CG 3.59Å; L16-F557 HydrophobicContact CD2-CD1 3.79Å; L16-F557 HydrophobicContact CD2-CE1 3.8Å; L16-F557 HydrophobicContact CD2-CG 4.37Å; L16-F557 HydrophobicContact CD2-CZ 4.43Å; L16-F557 HydrophobicContact CG-CB 4.15Å; L16-F557 HydrophobicContact CG-CD1 3.63Å; L16-F557 HydrophobicContact CG-CE1 4.18Å; L16-F557 HydrophobicContact CG-CG 4.01Å |
| 17 | K | 79.7 | Confident | 73.8 | Confident | 212 Ų | 212 | 98.2 Ų | 98.2 | 92% | 0.922 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -82.5 | -15.2 | 173.1 | -65.5 | -176.6 | 179.4 | 179.3 | 0 | 112.1 | R15 | R15-K17 PolarHBondContact O-N 3.42Š|
| 18 | T | 85.1 | Confident | 76 | Confident | 66 Ų | 66 | 100.6 Ų | 100.6 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | trans | -113.5 | 160.6 | -176 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | L16 | L16-T18 VanDerWaalsContact C-N 3.32Š| ||
| 19 | R | 86.4 | Confident | 78.2 | Confident | 192 Ų | 192 | 97.3 Ų | 97.3 | 73% | 0.725 | 45% | 0.452 | S | S | * | . | trans | -134.2 | 166 | 173.9 | -69.6 | -169.9 | -179.3 | -152.7 | 2.8 | 109.9 | L42 | R19-L42 PolarHBondContact NH1-O 3.36Š| ||
| 20 | G | 93.3 | Very high | 80.5 | Confident | 16 Ų | 16 | 92.1 Ų | 92.1 | 17% | 0.165 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | -148.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E22 I23 L43 G44 I45 | G20-E22 PolarHBondContact O-N 3.4Å; G20-E22 VanDerWaalsContact O-N 3.08Å; G20-I23 WeakPolarHBondContact O-CB 3.49Å; G20-I23 PolarHBondContact O-N 3.37Å; G20-I23 VanDerWaalsContact O-N 3.08Å; G20-L43 PolarHBondContact N-O 3.34Å; G20-G44 WeakPolarHBondContact CA-O 3.47Å; G20-I45 VanDerWaalsContact O-CG2 3.23Å; G20-I45 WeakPolarHBondContact O-CG2 3.19Å |
| 21 | I | 95.4 | Very high | 82.9 | Confident | 78 Ų | 78 | 88 Ų | 88 | 40% | 0.4 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.1 | -28.4 | -169.8 | -170 | 60.7 | 0 | 0 | 0 | 113.9 | I23 L24 R25 L48 | I21-I23 PolarHBondContact O-N 3.06Å; I21-L24 HydrophobicContact CD1-CB 4.34Å; I21-L24 HydrophobicContact CD1-CD1 4.13Å; I21-L24 WeakPolarHBondContact O-CB 3.39Å; I21-L24 PolarHBondContact O-N 3.18Å; I21-R25 HydrophobicContact CG1-CG 4.41Å; I21-R25 PolarHBondContact O-N 3.05Å; I21-R25 VanDerWaalsContact O-N 3.16Å; I21-L48 HydrophobicContact CB-CD1 4.34Å; I21-L48 HydrophobicContact CD1-CD1 4.23Å |
| 22 | E | 94.6 | Very high | 85.2 | Confident | 85 Ų | 85 | 78.2 Ų | 78.2 | 40% | 0.397 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -28.6 | 179.5 | -63.6 | -52.2 | 127.2 | 0 | 0 | 113 | G20 L24 R25 D26 | G20-E22 PolarHBondContact O-N 3.4Å; G20-E22 VanDerWaalsContact O-N 3.08Å; E22-L24 PolarHBondContact O-N 3.37Å; E22-R25 PolarHBondContact O-N 2.95Å; E22-R25 IonicContact OE1-CZ 2.82Å; E22-R25 IonicContact OE1-NH1 3.45Å; E22-R25 PolarHBondContact OE1-NH1 3.46Å; E22-D26 PolarHBondContact O-N 3.4Å; E22-D26 VanDerWaalsContact O-N 3.11Å |
| 23 | I | 93.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 173.3 | -66.7 | 171.4 | 0 | 0 | 0 | 111.2 | L16 G20 I21 T29 N30 Y35 L43 | L16-I23 HydrophobicContact CD1-CD1 3.85Å; L16-I23 HydrophobicContact CD1-CG1 4.18Å; L16-I23 HydrophobicContact CD1-CG2 4.39Å; G20-I23 WeakPolarHBondContact O-CB 3.49Å; G20-I23 PolarHBondContact O-N 3.37Å; G20-I23 VanDerWaalsContact O-N 3.08Å; I21-I23 PolarHBondContact O-N 3.06Å; I23-T29 PolarHBondContact O-OG1 2.94Å; I23-N30 PolarHBondContact O-N 3.3Å; I23-Y35 HydrophobicContact CG2-CE1 4.22Å; I23-Y35 VanDerWaalsContact CG2-OH 3.32Å; I23-Y35 WeakPolarHBondContact CG2-OH 3.47Å; I23-L43 HydrophobicContact CD1-CB 3.74Å; I23-L43 HydrophobicContact CD1-CD1 4.29Å; I23-L43 HydrophobicContact CD1-CD2 4.01Å; I23-L43 HydrophobicContact CD1-CG 4.22Å |
| 24 | L | 94.6 | Very high | 89.3 | Confident | 25 Ų | 25 | 70.7 Ų | 70.7 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -82.9 | -20 | 179.5 | -55.9 | -178.3 | 0 | 0 | 0 | 112.2 | I21 E22 N30 Y35 I45 L48 L49 | I21-L24 HydrophobicContact CD1-CB 4.34Å; I21-L24 HydrophobicContact CD1-CD1 4.13Å; I21-L24 WeakPolarHBondContact O-CB 3.39Å; I21-L24 PolarHBondContact O-N 3.18Å; E22-L24 PolarHBondContact O-N 3.37Å; L24-N30 PolarHBondContact O-ND2 3.44Å; L24-Y35 HydrophobicContact CD2-CD2 4.25Å; L24-Y35 HydrophobicContact CD2-CE2 3.5Å; L24-Y35 VanDerWaalsContact CD2-CE2 3.5Å; L24-I45 HydrophobicContact CD1-CB 4.5Å; L24-I45 HydrophobicContact CD1-CG2 4.48Å; L24-I45 HydrophobicContact CD2-CD1 4.11Å; L24-I45 HydrophobicContact CG-CG2 4.31Å; L24-L48 HydrophobicContact CD1-CB 4.06Å; L24-L48 HydrophobicContact CD1-CD1 4.33Å; L24-L49 HydrophobicContact CD1-CD2 4.05Å; L24-L49 HydrophobicContact CD1-CG 4.17Å; L24-L49 HydrophobicContact CD2-CD1 4.15Å; L24-L49 HydrophobicContact CD2-CD2 4.4Å |
| 25 | R | 94.3 | Very high | 90.9 | Very high | 160 Ų | 160 | 67.2 Ų | 67.2 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -87.6 | -26.9 | 179 | -70 | 177.9 | 170.3 | 171.6 | -8.2 | 113.6 | I21 E22 P27 | I21-R25 HydrophobicContact CG1-CG 4.41Å; I21-R25 PolarHBondContact O-N 3.05Å; I21-R25 VanDerWaalsContact O-N 3.16Å; E22-R25 PolarHBondContact O-N 2.95Å; E22-R25 IonicContact OE1-CZ 2.82Å; E22-R25 IonicContact OE1-NH1 3.45Å; E22-R25 PolarHBondContact OE1-NH1 3.46Å; R25-P27 WeakPolarHBondContact O-CD 3.43Å |
| 26 | D | 93.3 | Very high | 92.2 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 21% | 0.214 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -82.2 | 117.6 | 175.1 | -176.5 | -18.4 | 0 | 0 | 0 | 110.6 | E22 R28 T29 N30 | E22-D26 PolarHBondContact O-N 3.4Å; E22-D26 VanDerWaalsContact O-N 3.11Å; D26-R28 PolarHBondContact O-N 3.38Å; D26-R28 VanDerWaalsContact O-N 3.1Å; D26-R28 WeakPolarHBondContact OD1-CB 3.34Å; D26-R28 IonicContact OD1-CZ 2.64Å; D26-R28 PolarHBondContact OD1-N 3.33Å; D26-R28 IonicContact OD1-NE 3.86Å; D26-R28 PolarHBondContact OD1-NE 3.17Å; D26-R28 IonicContact OD1-NH2 3.57Å; D26-R28 IonicContact OD2-CZ 2.66Å; D26-R28 IonicContact OD2-NE 2.67Å; D26-R28 PolarHBondContact OD2-NE 3.3Å; D26-R28 IonicContact OD2-NH2 2.84Å; D26-R28 PolarHBondContact OD2-NH2 2.97Å; D26-T29 WeakPolarHBondContact CB-OG1 3.31Å; D26-T29 PolarHBondContact O-N 3.16Å; D26-T29 PolarHBondContact O-OG1 3.49Å; D26-N30 WeakPolarHBondContact O-CB 3.27Å; D26-N30 PolarHBondContact O-N 3.08Å |
| 27 | P | 94.2 | Very high | 92.9 | Very high | 20 Ų | 20 | 61.6 Ų | 61.6 | 13% | 0.13 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.2 | -176.6 | -24.4 | 37.8 | 0 | 0 | 0 | 114.2 | R25 D85 E88 | R25-P27 WeakPolarHBondContact O-CD 3.43Å; P27-D85 WeakPolarHBondContact CG-O 3.48Å; P27-E88 HydrophobicContact CB-CB 4.42Å; P27-E88 WeakPolarHBondContact O-CB 3.45Å; P27-E88 PolarHBondContact O-N 3.25Å |
| 28 | R | 92.5 | Very high | 93.6 | Very high | 149 Ų | 149 | 55.5 Ų | 55.5 | 56% | 0.562 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -26.5 | 179.3 | -58.7 | 170.8 | -64.4 | -178.6 | 1.8 | 112 | D26 | D26-R28 PolarHBondContact O-N 3.38Å; D26-R28 VanDerWaalsContact O-N 3.1Å; D26-R28 WeakPolarHBondContact OD1-CB 3.34Å; D26-R28 IonicContact OD1-CZ 2.64Å; D26-R28 PolarHBondContact OD1-N 3.33Å; D26-R28 IonicContact OD1-NE 3.86Å; D26-R28 PolarHBondContact OD1-NE 3.17Å; D26-R28 IonicContact OD1-NH2 3.57Å; D26-R28 IonicContact OD2-CZ 2.66Å; D26-R28 IonicContact OD2-NE 2.67Å; D26-R28 PolarHBondContact OD2-NE 3.3Å; D26-R28 IonicContact OD2-NH2 2.84Å; D26-R28 PolarHBondContact OD2-NH2 2.97Å |
| 29 | T | 93.6 | Very high | 94 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -24.3 | -177.4 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | L16 I23 D26 K31 Y35 F557 | L16-T29 HydrophobicContact CD2-CG2 3.32Å; I23-T29 PolarHBondContact O-OG1 2.94Å; D26-T29 WeakPolarHBondContact CB-OG1 3.31Å; D26-T29 PolarHBondContact O-N 3.16Å; D26-T29 PolarHBondContact O-OG1 3.49Å; T29-K31 PolarHBondContact O-N 3.17Å; T29-Y35 PolarHBondContact O-OH 3.21Å; T29-F557 HydrophobicContact CG2-CZ 4.3Å; T29-F557 VanDerWaalsContact O-CE2 3.22Å; T29-F557 WeakPolarHBondContact O-CE2 3.22Å |
| 30 | N | 95.7 | Very high | 94.4 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | trans | -62.3 | 130.3 | -179.7 | -168.9 | 6.5 | 0 | 0 | 0 | 112.3 | I23 L24 D26 G32 Y35 L86 N87 | I23-N30 PolarHBondContact O-N 3.3Å; L24-N30 PolarHBondContact O-ND2 3.44Å; D26-N30 WeakPolarHBondContact O-CB 3.27Å; D26-N30 PolarHBondContact O-N 3.08Å; N30-G32 PolarHBondContact OD1-N 3.07Å; N30-Y35 WeakPolarHBondContact CA-OH 3.24Å; N30-L86 VanDerWaalsContact CB-O 3.3Å; N30-L86 WeakPolarHBondContact CB-O 3.49Å; N30-L86 PolarHBondContact ND2-O 2.86Å; N30-N87 VanDerWaalsContact O-CG 3.27Å; N30-N87 PolarHBondContact O-ND2 3.42Å; N30-N87 PolarHBondContact O-OD1 2.87Å | ||
| 31 | K | 96.1 | Very high | 94.4 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | trans | -118.3 | 13.9 | 173.2 | -52.5 | -178.5 | -175.9 | 176.8 | 0 | 113.6 | T29 S33 S34 Y35 E39 E59 Y554 I555 F557 | T29-K31 PolarHBondContact O-N 3.17Å; K31-S33 PolarHBondContact O-N 3.18Å; K31-S34 VanDerWaalsContact O-CB 3.31Å; K31-S34 WeakPolarHBondContact O-CB 3.5Å; K31-S34 PolarHBondContact O-N 3.33Å; K31-Y35 HydrophobicContact CB-CD1 4.42Å; K31-Y35 HydrophobicContact CB-CD2 3.95Å; K31-Y35 HydrophobicContact CB-CE1 4.13Å; K31-Y35 HydrophobicContact CB-CE2 3.63Å; K31-Y35 HydrophobicContact CB-CG 4.34Å; K31-Y35 HydrophobicContact CD-CD1 3.78Å; K31-Y35 HydrophobicContact CD-CE1 3.66Å; K31-Y35 HydrophobicContact CD-CG 4.29Å; K31-Y35 HydrophobicContact CG-CD1 4.27Å; K31-Y35 HydrophobicContact CG-CE1 3.74Å; K31-Y35 HydrophobicContact CG-CE2 4.13Å; K31-Y35 PolarHBondContact N-OH 3.01Å; K31-Y35 VanDerWaalsContact N-OH 3.1Å; K31-E39 IonicContact NZ-OE1 4Å; K31-E39 PolarHBondContact NZ-OE1 3.05Å; K31-E39 IonicContact NZ-OE2 2.69Å; K31-E59 VanDerWaalsContact O-OE2 3.13Å; K31-Y554 HydrophobicContact CB-CD1 4.07Å; K31-Y554 HydrophobicContact CB-CD2 4.05Å; K31-Y554 HydrophobicContact CB-CE1 3.97Å; K31-Y554 HydrophobicContact CB-CE2 3.94Å; K31-Y554 HydrophobicContact CB-CG 4.12Å; K31-Y554 HydrophobicContact CD-CD1 4.38Å; K31-Y554 HydrophobicContact CD-CD2 4.31Å; K31-Y554 HydrophobicContact CD-CG 3.99Å; K31-Y554 HydrophobicContact CG-CD1 3.78Å; K31-Y554 HydrophobicContact CG-CD2 4.29Å; K31-Y554 HydrophobicContact CG-CE1 4.11Å; K31-Y554 HydrophobicContact CG-CG 3.88Å; K31-Y554 PolarHBondContact O-OH 3.31Å; K31-I555 WeakPolarHBondContact CE-O 3.19Å; K31-I555 PolarHBondContact NZ-O 3.36Å; K31-F557 HydrophobicContact CD-CE2 4.39Å; K31-F557 HydrophobicContact CG-CE2 4.31Å | ||
| 32 | G | 94.6 | Very high | 94.3 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | 55.4 | -125.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N30 S34 Y35 L49 | N30-G32 PolarHBondContact OD1-N 3.07Å; G32-S34 VanDerWaalsContact C-N 3.32Å; G32-Y35 WeakPolarHBondContact O-CD2 3.49Å; G32-L49 WeakPolarHBondContact O-CD1 3.17Å |
| 33 | S | 94.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -82.7 | -4.9 | 178.3 | 64.9 | 0 | 0 | 0 | 0 | 114 | K31 Y35 R40 P53 Q54 E59 | K31-S33 PolarHBondContact O-N 3.18Å; S33-Y35 VanDerWaalsContact C-N 3.31Å; S33-Y35 PolarHBondContact O-N 3.01Å; S33-R40 PolarHBondContact O-NH2 3.34Å; S33-P53 WeakPolarHBondContact O-CA 3.29Å; S33-Q54 PolarHBondContact O-N 2.85Å; S33-E59 WeakPolarHBondContact CA-OE1 3.17Å; S33-E59 WeakPolarHBondContact CB-OE1 3.24Å; S33-E59 PolarHBondContact N-OE1 3.14Å; S33-E59 PolarHBondContact OG-OE1 2.86Å |
| 34 | S | 96.4 | Very high | 94.2 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 12% | 0.119 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -80.9 | 3.5 | -173.6 | -61.6 | 0 | 0 | 0 | 0 | 116.7 | K31 G32 T36 Q54 Q56 Y554 | K31-S34 VanDerWaalsContact O-CB 3.31Å; K31-S34 WeakPolarHBondContact O-CB 3.5Å; K31-S34 PolarHBondContact O-N 3.33Å; G32-S34 VanDerWaalsContact C-N 3.32Å; S34-T36 PolarHBondContact O-N 3.48Å; S34-Q54 WeakPolarHBondContact CA-O 3.42Å; S34-Q54 WeakPolarHBondContact CB-O 3.41Å; S34-Q54 PolarHBondContact OG-O 2.92Å; S34-Q56 PolarHBondContact OG-N 3.22Å; S34-Y554 WeakPolarHBondContact OG-CE2 3.42Å |
| 35 | Y | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -67 | 128.2 | 165.4 | -61.7 | -84.7 | 0 | 0 | 0 | 110.1 | I23 L24 T29 N30 K31 G32 S33 E39 R40 L43 I45 L49 F557 | I23-Y35 HydrophobicContact CG2-CE1 4.22Å; I23-Y35 VanDerWaalsContact CG2-OH 3.32Å; I23-Y35 WeakPolarHBondContact CG2-OH 3.47Å; L24-Y35 HydrophobicContact CD2-CD2 4.25Å; L24-Y35 HydrophobicContact CD2-CE2 3.5Å; L24-Y35 VanDerWaalsContact CD2-CE2 3.5Å; T29-Y35 PolarHBondContact O-OH 3.21Å; N30-Y35 WeakPolarHBondContact CA-OH 3.24Å; K31-Y35 HydrophobicContact CB-CD1 4.42Å; K31-Y35 HydrophobicContact CB-CD2 3.95Å; K31-Y35 HydrophobicContact CB-CE1 4.13Å; K31-Y35 HydrophobicContact CB-CE2 3.63Å; K31-Y35 HydrophobicContact CB-CG 4.34Å; K31-Y35 HydrophobicContact CD-CD1 3.78Å; K31-Y35 HydrophobicContact CD-CE1 3.66Å; K31-Y35 HydrophobicContact CD-CG 4.29Å; K31-Y35 HydrophobicContact CG-CD1 4.27Å; K31-Y35 HydrophobicContact CG-CE1 3.74Å; K31-Y35 HydrophobicContact CG-CE2 4.13Å; K31-Y35 PolarHBondContact N-OH 3.01Å; K31-Y35 VanDerWaalsContact N-OH 3.1Å; G32-Y35 WeakPolarHBondContact O-CD2 3.49Å; S33-Y35 VanDerWaalsContact C-N 3.31Å; S33-Y35 PolarHBondContact O-N 3.01Å; Y35-E39 HydrophobicContact CD1-CB 4.27Å; Y35-R40 PolarHBondContact O-NE 3.18Å; Y35-R40 PolarHBondContact O-NH2 3.25Å; Y35-L43 HydrophobicContact CD1-CD1 4.1Å; Y35-L43 HydrophobicContact CE1-CD1 4.09Å; Y35-I45 HydrophobicContact CD1-CD1 3.86Å; Y35-I45 HydrophobicContact CD2-CD1 3.74Å; Y35-I45 HydrophobicContact CE1-CD1 4.12Å; Y35-I45 HydrophobicContact CE2-CD1 3.98Å; Y35-I45 HydrophobicContact CG-CD1 3.65Å; Y35-L49 HydrophobicContact CD2-CD1 3.69Å; Y35-L49 HydrophobicContact CE2-CD1 4.35Å; Y35-F557 HydrophobicContact CE1-CD2 4.16Å |
| 36 | T | 94.4 | Very high | 94.3 | Very high | 66 Ų | 66 | 42.8 Ų | 42.8 | 41% | 0.405 | 23% | 0.227 | S | C | . | . | trans | -61.7 | 159 | 170.2 | 61.4 | 0 | 0 | 0 | 0 | 110.9 | S34 H38 E39 R40 | S34-T36 PolarHBondContact O-N 3.48Å; T36-H38 PolarHBondContact O-N 3.38Å; T36-E39 PolarHBondContact N-OE2 3.1Å; T36-E39 PolarHBondContact O-N 2.92Å; T36-E39 WeakPolarHBondContact OG1-CB 3.23Å; T36-E39 VanDerWaalsContact OG1-CG 3.27Å; T36-E39 WeakPolarHBondContact OG1-CG 3.36Å; T36-E39 PolarHBondContact OG1-N 3.5Å; T36-E39 PolarHBondContact OG1-OE2 3.42Å; T36-R40 VanDerWaalsContact O-CG 3.28Å; T36-R40 WeakPolarHBondContact O-CG 3.33Å; T36-R40 PolarHBondContact O-N 3.38Å | ||
| 37 | L | 94.5 | Very high | 94.4 | Very high | 91 Ų | 91 | 44 Ų | 44 | 48% | 0.476 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -54.7 | -41.5 | 175.4 | 177.3 | 59.1 | 0 | 0 | 0 | 111.8 | R40 Q41 H46 | L37-R40 PolarHBondContact O-N 3.15Å; L37-Q41 HydrophobicContact CD1-CG 4.33Å; L37-Q41 WeakPolarHBondContact O-CG 3.44Å; L37-Q41 PolarHBondContact O-N 3.38Å; L37-H46 VanDerWaalsContact CD1-CE1 3.41Å; L37-H46 WeakPolarHBondContact CD1-CE1 3.32Å; L37-H46 WeakPolarHBondContact CD1-ND1 3.3Å |
| 38 | H | 93.1 | Very high | 94.5 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 39% | 0.389 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 178.2 | -176.4 | 57.2 | 0 | 0 | 0 | 112.3 | T36 R40 Q41 L42 | T36-H38 PolarHBondContact O-N 3.38Å; H38-R40 VanDerWaalsContact C-N 3.31Å; H38-R40 PolarHBondContact O-N 3.04Å; H38-Q41 PolarHBondContact O-N 3.26Å; H38-L42 VanDerWaalsContact CE1-CD1 3.42Å; H38-L42 WeakPolarHBondContact CE1-CD1 3.37Å; H38-L42 VanDerWaalsContact NE2-CD1 3.26Å; H38-L42 WeakPolarHBondContact NE2-CD1 3.3Å; H38-L42 WeakPolarHBondContact O-CG 3.32Å; H38-L42 PolarHBondContact O-N 2.85Å |
| 39 | E | 93.7 | Very high | 94.6 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.033 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 173.5 | -75.9 | 173.1 | 111.4 | 0 | 0 | 111.6 | K31 Y35 T36 Q41 L42 L43 N556 F557 T558 | K31-E39 IonicContact NZ-OE1 4Å; K31-E39 PolarHBondContact NZ-OE1 3.05Å; K31-E39 IonicContact NZ-OE2 2.69Å; Y35-E39 HydrophobicContact CD1-CB 4.27Å; T36-E39 PolarHBondContact N-OE2 3.1Å; T36-E39 PolarHBondContact O-N 2.92Å; T36-E39 WeakPolarHBondContact OG1-CB 3.23Å; T36-E39 VanDerWaalsContact OG1-CG 3.27Å; T36-E39 WeakPolarHBondContact OG1-CG 3.36Å; T36-E39 PolarHBondContact OG1-N 3.5Å; T36-E39 PolarHBondContact OG1-OE2 3.42Å; E39-Q41 VanDerWaalsContact C-N 3.31Å; E39-Q41 PolarHBondContact O-N 3.11Å; E39-L42 PolarHBondContact O-N 3.05Å; E39-L43 HydrophobicContact CB-CD1 4.21Å; E39-L43 WeakPolarHBondContact O-CB 3.34Å; E39-L43 WeakPolarHBondContact O-CG 3.47Å; E39-L43 PolarHBondContact O-N 3.02Å; E39-N556 PolarHBondContact OE1-OD1 3.43Å; E39-F557 PolarHBondContact OE1-N 2.82Å; E39-T558 HydrophobicContact CG-CG2 3.61Å |
| 40 | R | 95.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | -178 | -66.9 | 172.1 | -169.7 | -156.8 | 3.1 | 112.3 | S33 Y35 T36 L37 H38 G44 I45 H46 P50 | S33-R40 PolarHBondContact O-NH2 3.34Å; Y35-R40 PolarHBondContact O-NE 3.18Å; Y35-R40 PolarHBondContact O-NH2 3.25Å; T36-R40 VanDerWaalsContact O-CG 3.28Å; T36-R40 WeakPolarHBondContact O-CG 3.33Å; T36-R40 PolarHBondContact O-N 3.38Å; L37-R40 PolarHBondContact O-N 3.15Å; H38-R40 VanDerWaalsContact C-N 3.31Å; H38-R40 PolarHBondContact O-N 3.04Å; R40-G44 PolarHBondContact O-N 3.03Å; R40-I45 HydrophobicContact CB-CG1 4.01Å; R40-I45 HydrophobicContact CG-CD1 4.25Å; R40-I45 HydrophobicContact CG-CG1 4.06Å; R40-I45 PolarHBondContact O-N 3.47Å; R40-H46 HydrophobicContact CB-CB 4.04Å; R40-H46 PolarHBondContact O-N 2.71Å; R40-P50 PolarHBondContact NH1-O 2.9Å; R40-P50 PolarHBondContact NH2-O 3.04Å |
| 41 | Q | 94.2 | Very high | 94.6 | Very high | 115 Ų | 115 | 50.3 Ų | 50.3 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.1 | -48 | 177.6 | -71.2 | 172 | -28.8 | 0 | 0 | 111.5 | L37 H38 E39 L43 G44 H46 | L37-Q41 HydrophobicContact CD1-CG 4.33Å; L37-Q41 WeakPolarHBondContact O-CG 3.44Å; L37-Q41 PolarHBondContact O-N 3.38Å; H38-Q41 PolarHBondContact O-N 3.26Å; E39-Q41 VanDerWaalsContact C-N 3.31Å; E39-Q41 PolarHBondContact O-N 3.11Å; Q41-L43 PolarHBondContact O-N 2.76Å; Q41-G44 PolarHBondContact O-N 3.24Å; Q41-H46 HydrophobicContact CG-CB 4.41Å |
| 42 | L | 92 | Very high | 94.5 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67 | -38 | -178.5 | -72.7 | -179.2 | 0 | 0 | 0 | 113.4 | R19 H38 E39 G44 T558 | R19-L42 PolarHBondContact NH1-O 3.36Å; H38-L42 VanDerWaalsContact CE1-CD1 3.42Å; H38-L42 WeakPolarHBondContact CE1-CD1 3.37Å; H38-L42 VanDerWaalsContact NE2-CD1 3.26Å; H38-L42 WeakPolarHBondContact NE2-CD1 3.3Å; H38-L42 WeakPolarHBondContact O-CG 3.32Å; H38-L42 PolarHBondContact O-N 2.85Å; E39-L42 PolarHBondContact O-N 3.05Å; L42-G44 VanDerWaalsContact C-N 3.33Å; L42-T558 HydrophobicContact CD1-CG2 3.73Å |
| 43 | L | 92.6 | Very high | 94.4 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -84.7 | -6.6 | -176.9 | -62.2 | 177.4 | 0 | 0 | 0 | 113.2 | L16 G20 I23 Y35 E39 Q41 I45 F557 | L16-L43 HydrophobicContact CD1-CD1 4.23Å; L16-L43 HydrophobicContact CD1-CD2 3.72Å; G20-L43 PolarHBondContact N-O 3.34Å; I23-L43 HydrophobicContact CD1-CB 3.74Å; I23-L43 HydrophobicContact CD1-CD1 4.29Å; I23-L43 HydrophobicContact CD1-CD2 4.01Å; I23-L43 HydrophobicContact CD1-CG 4.22Å; Y35-L43 HydrophobicContact CD1-CD1 4.1Å; Y35-L43 HydrophobicContact CE1-CD1 4.09Å; E39-L43 HydrophobicContact CB-CD1 4.21Å; E39-L43 WeakPolarHBondContact O-CB 3.34Å; E39-L43 WeakPolarHBondContact O-CG 3.47Å; E39-L43 PolarHBondContact O-N 3.02Å; Q41-L43 PolarHBondContact O-N 2.76Å; L43-I45 HydrophobicContact CB-CD1 4.42Å; L43-I45 HydrophobicContact CB-CG1 4.22Å; L43-I45 HydrophobicContact CD1-CD1 4.45Å; L43-F557 HydrophobicContact CD1-CB 4.14Å; L43-F557 HydrophobicContact CD2-CB 4.48Å |
| 44 | G | 94.3 | Very high | 94.3 | Very high | 47 Ų | 47 | 59.4 Ų | 59.4 | 49% | 0.485 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 31 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G20 R40 Q41 L42 | G20-G44 WeakPolarHBondContact CA-O 3.47Å; R40-G44 PolarHBondContact O-N 3.03Å; Q41-G44 PolarHBondContact O-N 3.24Å; L42-G44 VanDerWaalsContact C-N 3.33Å |
| 45 | I | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 37% | 0.367 | C | S | . | . | trans | -115.7 | 4.5 | 179.6 | 63.2 | 174.6 | 0 | 0 | 0 | 112.8 | G20 L24 Y35 R40 L43 G47 L48 L49 | G20-I45 VanDerWaalsContact O-CG2 3.23Å; G20-I45 WeakPolarHBondContact O-CG2 3.19Å; L24-I45 HydrophobicContact CD1-CB 4.5Å; L24-I45 HydrophobicContact CD1-CG2 4.48Å; L24-I45 HydrophobicContact CD2-CD1 4.11Å; L24-I45 HydrophobicContact CG-CG2 4.31Å; Y35-I45 HydrophobicContact CD1-CD1 3.86Å; Y35-I45 HydrophobicContact CD2-CD1 3.74Å; Y35-I45 HydrophobicContact CE1-CD1 4.12Å; Y35-I45 HydrophobicContact CE2-CD1 3.98Å; Y35-I45 HydrophobicContact CG-CD1 3.65Å; R40-I45 HydrophobicContact CB-CG1 4.01Å; R40-I45 HydrophobicContact CG-CD1 4.25Å; R40-I45 HydrophobicContact CG-CG1 4.06Å; R40-I45 PolarHBondContact O-N 3.47Å; L43-I45 HydrophobicContact CB-CD1 4.42Å; L43-I45 HydrophobicContact CB-CG1 4.22Å; L43-I45 HydrophobicContact CD1-CD1 4.45Å; I45-G47 PolarHBondContact O-N 3.29Å; I45-L48 HydrophobicContact CB-CD1 4.28Å; I45-L48 HydrophobicContact CG2-CD1 4.33Å; I45-L48 WeakPolarHBondContact O-CB 3.35Å; I45-L48 PolarHBondContact O-N 3.03Å; I45-L48 VanDerWaalsContact O-N 3.15Å; I45-L49 HydrophobicContact CD1-CD1 4.22Å | ||
| 46 | H | 95.1 | Very high | 94.3 | Very high | 114 Ų | 114 | 63.9 Ų | 63.9 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 134.5 | 172.3 | -170.6 | 71.1 | 0 | 0 | 0 | 110.4 | L37 R40 Q41 L48 | L37-H46 VanDerWaalsContact CD1-CE1 3.41Å; L37-H46 WeakPolarHBondContact CD1-CE1 3.32Å; L37-H46 WeakPolarHBondContact CD1-ND1 3.3Å; R40-H46 HydrophobicContact CB-CB 4.04Å; R40-H46 PolarHBondContact O-N 2.71Å; Q41-H46 HydrophobicContact CG-CB 4.41Å; H46-L48 VanDerWaalsContact C-N 3.31Å |
| 47 | G | 95.8 | Very high | 94.4 | Very high | 67 Ų | 67 | 64 Ų | 64 | 69% | 0.691 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.7 | -13.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I45 | I45-G47 PolarHBondContact O-N 3.29Š|
| 48 | L | 96.2 | Very high | 94.5 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -89.9 | -9 | 176.1 | -54.4 | -176.7 | 0 | 0 | 0 | 113.5 | I21 L24 I45 H46 | I21-L48 HydrophobicContact CB-CD1 4.34Å; I21-L48 HydrophobicContact CD1-CD1 4.23Å; L24-L48 HydrophobicContact CD1-CB 4.06Å; L24-L48 HydrophobicContact CD1-CD1 4.33Å; I45-L48 HydrophobicContact CB-CD1 4.28Å; I45-L48 HydrophobicContact CG2-CD1 4.33Å; I45-L48 WeakPolarHBondContact O-CB 3.35Å; I45-L48 PolarHBondContact O-N 3.03Å; I45-L48 VanDerWaalsContact O-N 3.15Å; H46-L48 VanDerWaalsContact C-N 3.31Å |
| 49 | L | 95.4 | Very high | 94.7 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -131.1 | 148.8 | -175 | -65.8 | 172 | 0 | 0 | 0 | 110.8 | L24 G32 Y35 I45 | L24-L49 HydrophobicContact CD1-CD2 4.05Å; L24-L49 HydrophobicContact CD1-CG 4.17Å; L24-L49 HydrophobicContact CD2-CD1 4.15Å; L24-L49 HydrophobicContact CD2-CD2 4.4Å; G32-L49 WeakPolarHBondContact O-CD1 3.17Å; Y35-L49 HydrophobicContact CD2-CD1 3.69Å; Y35-L49 HydrophobicContact CE2-CD1 4.35Å; I45-L49 HydrophobicContact CD1-CD1 4.22Å |
| 50 | P | 94.5 | Very high | 94.9 | Very high | 90 Ų | 90 | 58 Ų | 58 | 58% | 0.584 | 34% | 0.343 | S | S | * | . | trans | -52.4 | 142.8 | 174.7 | -26.4 | 34.6 | 0 | 0 | 0 | 112.4 | R40 N52 | R40-P50 PolarHBondContact NH1-O 2.9Å; R40-P50 PolarHBondContact NH2-O 3.04Å; P50-N52 VanDerWaalsContact C-N 3.29Å; P50-N52 PolarHBondContact O-N 2.83Å | ||
| 51 | P | 93.5 | Very high | 95 | Very high | 124 Ų | 124 | 63.4 Ų | 63.4 | 81% | 0.805 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -67.8 | -23.4 | -164.1 | 25.9 | -35.6 | 0 | 0 | 0 | 114.6 | P53 | P51-P53 VanDerWaalsContact O-CD 3.23Å; P51-P53 WeakPolarHBondContact O-CD 3.32Å |
| 52 | N | 94.1 | Very high | 95.1 | Very high | 113 Ų | 113 | 62.8 Ų | 62.8 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -86.6 | 108.9 | -179.8 | -174.5 | 22.8 | 0 | 0 | 0 | 111.1 | P50 Q54 | P50-N52 VanDerWaalsContact C-N 3.29Å; P50-N52 PolarHBondContact O-N 2.83Å; N52-Q54 PolarHBondContact O-N 2.78Å |
| 53 | P | 92.1 | Very high | 95.4 | Very high | 57 Ų | 57 | 60.5 Ų | 60.5 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | trans | -69.3 | 129.5 | 174.3 | -15.2 | 32.7 | 0 | 0 | 0 | 110.6 | S33 P51 | S33-P53 WeakPolarHBondContact O-CA 3.29Å; P51-P53 VanDerWaalsContact O-CD 3.23Å; P51-P53 WeakPolarHBondContact O-CD 3.32Å | ||
| 54 | Q | 93.7 | Very high | 95.7 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 29% | 0.285 | 35% | 0.35 | S | S | . | . | trans | -104.6 | 157.2 | 174.7 | -58.6 | -170.7 | -38.3 | 0 | 0 | 110.3 | S33 S34 N52 V58 | S33-Q54 PolarHBondContact O-N 2.85Å; S34-Q54 WeakPolarHBondContact CA-O 3.42Å; S34-Q54 WeakPolarHBondContact CB-O 3.41Å; S34-Q54 PolarHBondContact OG-O 2.92Å; N52-Q54 PolarHBondContact O-N 2.78Å; Q54-V58 HydrophobicContact CB-CB 4.34Å; Q54-V58 HydrophobicContact CB-CG1 4.19Å; Q54-V58 HydrophobicContact CG-CG1 4.37Å | ||
| 55 | N | 94.1 | Very high | 95.9 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | trans | -83.8 | 162.9 | 170.9 | 69 | 47.7 | 0 | 0 | 0 | 111 | D57 V58 E59 | N55-D57 PolarHBondContact O-N 2.94Å; N55-D57 WeakPolarHBondContact OD1-CB 3.33Å; N55-D57 PolarHBondContact OD1-N 3.3Å; N55-V58 PolarHBondContact O-N 2.85Å; N55-V58 WeakPolarHBondContact OD1-CG2 3.42Å; N55-V58 PolarHBondContact OD1-N 3Å; N55-E59 PolarHBondContact O-N 3.14Å | ||
| 56 | Q | 96.9 | Very high | 96 | Very high | 18 Ų | 18 | 65.4 Ų | 65.4 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.5 | -31.6 | -177.3 | -166.7 | 176.4 | 17.7 | 0 | 0 | 113.3 | S34 E59 G60 K89 L90 R93 H552 Y554 | S34-Q56 PolarHBondContact OG-N 3.22Å; Q56-E59 PolarHBondContact O-N 3.3Å; Q56-G60 PolarHBondContact O-N 3.16Å; Q56-K89 PolarHBondContact NE2-O 3.1Å; Q56-L90 HydrophobicContact CG-CD1 4.09Å; Q56-R93 HydrophobicContact CG-CB 4.32Å; Q56-R93 HydrophobicContact CG-CG 3.93Å; Q56-H552 PolarHBondContact NE2-O 2.94Å; Q56-Y554 HydrophobicContact CB-CD2 3.59Å; Q56-Y554 HydrophobicContact CB-CE2 3.46Å; Q56-Y554 VanDerWaalsContact CB-CE2 3.46Å; Q56-Y554 HydrophobicContact CB-CG 4.47Å; Q56-Y554 HydrophobicContact CG-CD2 3.74Å; Q56-Y554 HydrophobicContact CG-CE1 4.25Å; Q56-Y554 HydrophobicContact CG-CE2 3.37Å; Q56-Y554 HydrophobicContact CG-CG 4.32Å |
| 57 | D | 96.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 60 Ų | 60 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.8 | -38.3 | -178.6 | -64.7 | -31 | 0 | 0 | 0 | 111.5 | N55 E59 G60 Q61 R93 | N55-D57 PolarHBondContact O-N 2.94Å; N55-D57 WeakPolarHBondContact OD1-CB 3.33Å; N55-D57 PolarHBondContact OD1-N 3.3Å; D57-E59 VanDerWaalsContact C-N 3.31Å; D57-E59 PolarHBondContact O-N 2.86Å; D57-G60 PolarHBondContact O-N 3.5Å; D57-Q61 WeakPolarHBondContact O-CG 3.42Å; D57-Q61 PolarHBondContact O-N 2.9Å; D57-R93 IonicContact OD1-CZ 3.59Å; D57-R93 IonicContact OD1-NE 3.85Å; D57-R93 PolarHBondContact OD1-NE 2.94Å; D57-R93 IonicContact OD1-NH2 3.2Å; D57-R93 PolarHBondContact OD1-NH2 3.23Å; D57-R93 IonicContact OD2-NH2 2.73Å; D57-R93 PolarHBondContact OD2-NH2 3.09Å |
| 58 | V | 96.5 | Very high | 96.3 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 31% | 0.309 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.2 | -39.8 | 171.8 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | Q54 N55 G60 Q61 R62 | Q54-V58 HydrophobicContact CB-CB 4.34Å; Q54-V58 HydrophobicContact CB-CG1 4.19Å; Q54-V58 HydrophobicContact CG-CG1 4.37Å; N55-V58 PolarHBondContact O-N 2.85Å; N55-V58 WeakPolarHBondContact OD1-CG2 3.42Å; N55-V58 PolarHBondContact OD1-N 3Å; V58-G60 VanDerWaalsContact C-N 3.34Å; V58-Q61 PolarHBondContact O-N 2.88Å; V58-R62 PolarHBondContact O-N 3.31Å |
| 59 | E | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 174.7 | -56.4 | -157.7 | 133.4 | 0 | 0 | 111.9 | K31 S33 N55 Q56 D57 R62 V63 L90 Y554 | K31-E59 VanDerWaalsContact O-OE2 3.13Å; S33-E59 WeakPolarHBondContact CA-OE1 3.17Å; S33-E59 WeakPolarHBondContact CB-OE1 3.24Å; S33-E59 PolarHBondContact N-OE1 3.14Å; S33-E59 PolarHBondContact OG-OE1 2.86Å; N55-E59 PolarHBondContact O-N 3.14Å; Q56-E59 PolarHBondContact O-N 3.3Å; D57-E59 VanDerWaalsContact C-N 3.31Å; D57-E59 PolarHBondContact O-N 2.86Å; E59-R62 WeakPolarHBondContact O-CB 3.19Å; E59-R62 PolarHBondContact O-N 3.32Å; E59-R62 IonicContact OE1-NH2 2.93Å; E59-R62 PolarHBondContact OE1-NH2 2.88Å; E59-V63 WeakPolarHBondContact O-CG2 3.34Å; E59-V63 PolarHBondContact O-N 2.72Å; E59-L90 HydrophobicContact CB-CD1 3.73Å; E59-L90 HydrophobicContact CB-CD2 3.77Å; E59-L90 HydrophobicContact CB-CG 4.44Å; E59-Y554 PolarHBondContact OE2-OH 3.43Å |
| 60 | G | 97.5 | Very high | 96.5 | Very high | 5 Ų | 5 | 67.2 Ų | 67.2 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q56 D57 V58 R62 V63 I64 | Q56-G60 PolarHBondContact O-N 3.16Å; D57-G60 PolarHBondContact O-N 3.5Å; V58-G60 VanDerWaalsContact C-N 3.34Å; G60-R62 VanDerWaalsContact C-N 3.31Å; G60-R62 PolarHBondContact O-N 3.33Å; G60-V63 WeakPolarHBondContact O-CB 3.42Å; G60-V63 PolarHBondContact O-N 3.29Å; G60-V63 VanDerWaalsContact O-N 3.13Å; G60-I64 WeakPolarHBondContact O-CG1 3.35Å; G60-I64 PolarHBondContact O-N 3.31Å |
| 61 | Q | 97.5 | Very high | 96.6 | Very high | 117 Ų | 117 | 70.4 Ų | 70.4 | 55% | 0.547 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59 | -42 | 173.4 | -75.2 | 176.2 | -10.3 | 0 | 0 | 111.7 | D57 V58 V63 I64 S65 | D57-Q61 WeakPolarHBondContact O-CG 3.42Å; D57-Q61 PolarHBondContact O-N 2.9Å; V58-Q61 PolarHBondContact O-N 2.88Å; Q61-V63 VanDerWaalsContact C-N 3.33Å; Q61-V63 PolarHBondContact O-N 3.26Å; Q61-I64 PolarHBondContact O-N 2.68Å; Q61-S65 WeakPolarHBondContact O-CB 3.46Å; Q61-S65 PolarHBondContact O-N 2.84Å; Q61-S65 PolarHBondContact O-OG 2.91Å; Q61-S65 VanDerWaalsContact O-OG 3.06Å |
| 62 | R | 97.4 | Very high | 96.7 | Very high | 102 Ų | 102 | 67.8 Ų | 67.8 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.4 | 176.4 | 177.5 | 59.5 | -127.7 | -3.2 | 111.9 | V58 E59 G60 S65 N66 | V58-R62 PolarHBondContact O-N 3.31Å; E59-R62 WeakPolarHBondContact O-CB 3.19Å; E59-R62 PolarHBondContact O-N 3.32Å; E59-R62 IonicContact OE1-NH2 2.93Å; E59-R62 PolarHBondContact OE1-NH2 2.88Å; G60-R62 VanDerWaalsContact C-N 3.31Å; G60-R62 PolarHBondContact O-N 3.33Å; R62-S65 PolarHBondContact O-N 2.97Å; R62-N66 VanDerWaalsContact O-CG 3.3Å; R62-N66 PolarHBondContact O-N 2.88Å; R62-N66 VanDerWaalsContact O-N 3.08Å |
| 63 | V | 98.1 | Very high | 96.8 | Very high | 10 Ų | 10 | 65.1 Ų | 65.1 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -51 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 110 | E59 G60 Q61 S65 N66 L67 M79 L80 L83 L90 T94 | E59-V63 WeakPolarHBondContact O-CG2 3.34Å; E59-V63 PolarHBondContact O-N 2.72Å; G60-V63 WeakPolarHBondContact O-CB 3.42Å; G60-V63 PolarHBondContact O-N 3.29Å; G60-V63 VanDerWaalsContact O-N 3.13Å; Q61-V63 VanDerWaalsContact C-N 3.33Å; Q61-V63 PolarHBondContact O-N 3.26Å; V63-S65 PolarHBondContact O-N 3.32Å; V63-N66 PolarHBondContact O-N 3.3Å; V63-L67 HydrophobicContact CG1-CD1 4.13Å; V63-L67 HydrophobicContact CG1-CG 4.38Å; V63-L67 WeakPolarHBondContact O-CG 3.22Å; V63-L67 PolarHBondContact O-N 2.97Å; V63-M79 HydrophobicContact CG1-CE 4.24Å; V63-L80 HydrophobicContact CG1-CD2 4.41Å; V63-L83 HydrophobicContact CB-CD2 4.36Å; V63-L83 HydrophobicContact CG1-CD2 3.75Å; V63-L83 HydrophobicContact CG2-CD1 4.21Å; V63-L83 HydrophobicContact CG2-CD2 3.77Å; V63-L90 HydrophobicContact CG2-CD2 4.34Å; V63-T94 HydrophobicContact CB-CG2 4.23Å; V63-T94 HydrophobicContact CG1-CG2 3.93Å |
| 64 | I | 98.2 | Very high | 97 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | -180 | -65.8 | -56.3 | 0 | 0 | 0 | 111.9 | G60 Q61 N66 L67 Y68 T94 H98 Y101 | G60-I64 WeakPolarHBondContact O-CG1 3.35Å; G60-I64 PolarHBondContact O-N 3.31Å; Q61-I64 PolarHBondContact O-N 2.68Å; I64-N66 VanDerWaalsContact C-N 3.26Å; I64-N66 PolarHBondContact O-N 2.72Å; I64-L67 HydrophobicContact CD1-CD1 4.12Å; I64-L67 PolarHBondContact O-N 2.48Å; I64-L67 VanDerWaalsContact O-N 3.09Å; I64-Y68 HydrophobicContact CG2-CD2 3.69Å; I64-Y68 HydrophobicContact CG2-CE2 3.4Å; I64-Y68 VanDerWaalsContact O-CD2 3.25Å; I64-Y68 WeakPolarHBondContact O-CD2 3.38Å; I64-Y68 PolarHBondContact O-N 3.12Å; I64-T94 HydrophobicContact CD1-CG2 3.62Å; I64-T94 HydrophobicContact CG1-CG2 3.99Å; I64-H98 HydrophobicContact CD1-CB 3.78Å; I64-H98 HydrophobicContact CG1-CB 4.3Å; I64-H98 WeakPolarHBondContact CG1-CD2 3.45Å; I64-Y101 HydrophobicContact CD1-CD1 4.09Å; I64-Y101 HydrophobicContact CD1-CE1 4.35Å |
| 65 | S | 98.3 | Very high | 97.2 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.3 | -42.2 | 177 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | Q61 R62 V63 Y68 Q69 | Q61-S65 WeakPolarHBondContact O-CB 3.46Å; Q61-S65 PolarHBondContact O-N 2.84Å; Q61-S65 PolarHBondContact O-OG 2.91Å; Q61-S65 VanDerWaalsContact O-OG 3.06Å; R62-S65 PolarHBondContact O-N 2.97Å; V63-S65 PolarHBondContact O-N 3.32Å; S65-Y68 PolarHBondContact O-N 3.17Å; S65-Q69 WeakPolarHBondContact O-CG 3.45Å; S65-Q69 PolarHBondContact O-N 3.22Å |
| 66 | N | 98.2 | Very high | 97.4 | Very high | 80 Ų | 80 | 60.2 Ų | 60.2 | 43% | 0.428 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 176.5 | -71.4 | -11.8 | 0 | 0 | 0 | 112.5 | R62 V63 I64 Y68 Q69 M79 | R62-N66 VanDerWaalsContact O-CG 3.3Å; R62-N66 PolarHBondContact O-N 2.88Å; R62-N66 VanDerWaalsContact O-N 3.08Å; V63-N66 PolarHBondContact O-N 3.3Å; I64-N66 VanDerWaalsContact C-N 3.26Å; I64-N66 PolarHBondContact O-N 2.72Å; N66-Y68 VanDerWaalsContact C-N 3.27Å; N66-Y68 PolarHBondContact O-N 2.99Å; N66-Q69 WeakPolarHBondContact O-CB 3.07Å; N66-Q69 PolarHBondContact O-N 3.38Å; N66-M79 HydrophobicContact CB-CE 3.42Å; N66-M79 VanDerWaalsContact CB-CE 3.42Å; N66-M79 HydrophobicContact CB-SD 4.01Å |
| 67 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.1 | -35.6 | 176 | -67.3 | 174.3 | 0 | 0 | 0 | 112.2 | V63 I64 Q69 L70 R76 M79 L80 Y101 | V63-L67 HydrophobicContact CG1-CD1 4.13Å; V63-L67 HydrophobicContact CG1-CG 4.38Å; V63-L67 WeakPolarHBondContact O-CG 3.22Å; V63-L67 PolarHBondContact O-N 2.97Å; I64-L67 HydrophobicContact CD1-CD1 4.12Å; I64-L67 PolarHBondContact O-N 2.48Å; I64-L67 VanDerWaalsContact O-N 3.09Å; L67-Q69 PolarHBondContact O-N 3.22Å; L67-L70 HydrophobicContact CD2-CD1 4.26Å; L67-L70 PolarHBondContact O-N 3.35Å; L67-R76 HydrophobicContact CB-CG 4.42Å; L67-R76 HydrophobicContact CD2-CB 3.98Å; L67-R76 HydrophobicContact CD2-CG 4.22Å; L67-R76 WeakPolarHBondContact CD2-O 3.12Å; L67-R76 WeakPolarHBondContact O-CG 3.45Å; L67-R76 PolarHBondContact O-NE 2.94Å; L67-M79 HydrophobicContact CD2-CB 3.9Å; L67-M79 HydrophobicContact CD2-CE 4.49Å; L67-M79 HydrophobicContact CD2-CG 3.89Å; L67-M79 HydrophobicContact CD2-SD 3.72Å; L67-M79 HydrophobicContact CG-SD 4.31Å; L67-L80 HydrophobicContact CD1-CD1 4.22Å; L67-L80 HydrophobicContact CD1-CD2 3.84Å; L67-L80 HydrophobicContact CD1-CG 3.96Å; L67-L80 HydrophobicContact CD2-CG 4.19Å; L67-Y101 HydrophobicContact CB-CE1 4.02Å; L67-Y101 HydrophobicContact CD1-CE1 3.98Å |
| 68 | Y | 97.7 | Very high | 97.4 | Very high | 136 Ų | 136 | 58.4 Ų | 58.4 | 53% | 0.533 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.6 | -21.4 | 174.4 | -80.9 | -67.7 | 0 | 0 | 0 | 113.9 | I64 S65 N66 Y101 | I64-Y68 HydrophobicContact CG2-CD2 3.69Å; I64-Y68 HydrophobicContact CG2-CE2 3.4Å; I64-Y68 VanDerWaalsContact O-CD2 3.25Å; I64-Y68 WeakPolarHBondContact O-CD2 3.38Å; I64-Y68 PolarHBondContact O-N 3.12Å; S65-Y68 PolarHBondContact O-N 3.17Å; N66-Y68 VanDerWaalsContact C-N 3.27Å; N66-Y68 PolarHBondContact O-N 2.99Å; Y68-Y101 HydrophobicContact CD1-CE2 4.2Å; Y68-Y101 HydrophobicContact CE1-CD2 4.2Å; Y68-Y101 AromaticContact CE1-CE2 3.54Å; Y68-Y101 HydrophobicContact CE1-CE2 3.54Å; Y68-Y101 HydrophobicContact CE2-CE2 4.37Å; Y68-Y101 AromaticContact CZ-CD2 3.94Å; Y68-Y101 AromaticContact CZ-CE2 3.64Å |
| 69 | Q | 97.8 | Very high | 97.4 | Very high | 153 Ų | 153 | 58.4 Ų | 58.4 | 72% | 0.715 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -83.8 | -14.1 | 176.8 | -60.3 | -54.9 | -61 | 0 | 0 | 113.5 | S65 N66 L67 | S65-Q69 WeakPolarHBondContact O-CG 3.45Å; S65-Q69 PolarHBondContact O-N 3.22Å; N66-Q69 WeakPolarHBondContact O-CB 3.07Å; N66-Q69 PolarHBondContact O-N 3.38Å; L67-Q69 PolarHBondContact O-N 3.22Å |
| 70 | L | 97.9 | Very high | 97.4 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.277 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -79.6 | 146.3 | 177.4 | -63.3 | 173.5 | 0 | 0 | 0 | 110.2 | L67 R76 M79 | L67-L70 HydrophobicContact CD2-CD1 4.26Å; L67-L70 PolarHBondContact O-N 3.35Å; L70-R76 HydrophobicContact CB-CG 3.85Å; L70-R76 HydrophobicContact CD1-CB 4.44Å; L70-R76 HydrophobicContact CD1-CG 3.96Å; L70-R76 PolarHBondContact O-NH2 3.14Å; L70-M79 HydrophobicContact CD1-CB 4.08Å; L70-M79 HydrophobicContact CD1-SD 3.99Å |
| 71 | D | 96.4 | Very high | 97.3 | Very high | 158 Ų | 158 | 59.2 Ų | 59.2 | 85% | 0.845 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -79 | -37.2 | -173.5 | -63.1 | -48 | 0 | 0 | 0 | 113 | ||
| 72 | D | 96.9 | Very high | 97.2 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -127.5 | 160.8 | -170.9 | 76.9 | 88.8 | 0 | 0 | 0 | 113.5 | L74 S75 R76 | D72-L74 WeakPolarHBondContact OD1-CA 3.38Å; D72-L74 VanDerWaalsContact OD1-CB 3.25Å; D72-L74 WeakPolarHBondContact OD1-CB 3.33Å; D72-L74 PolarHBondContact OD1-N 2.78Å; D72-S75 PolarHBondContact OD1-N 2.65Å; D72-S75 VanDerWaalsContact OD2-CB 3.26Å; D72-S75 WeakPolarHBondContact OD2-CB 3.43Å; D72-S75 PolarHBondContact OD2-OG 2.7Å; D72-R76 WeakPolarHBondContact O-CG 3.3Å; D72-R76 PolarHBondContact O-N 3.21Å |
| 73 | N | 95.9 | Very high | 97.2 | Very high | 56 Ų | 56 | 51.4 Ų | 51.4 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.5 | -27.4 | -177 | -75.8 | -13.8 | 0 | 0 | 0 | 113.8 | R76 Y77 L105 T110 | N73-R76 PolarHBondContact O-N 3.27Å; N73-R76 PolarHBondContact OD1-NH1 2.95Å; N73-Y77 WeakPolarHBondContact O-CB 3.4Å; N73-Y77 PolarHBondContact O-N 2.87Å; N73-L105 HydrophobicContact CB-CD2 4.05Å; N73-L105 WeakPolarHBondContact OD1-CD2 3.29Å; N73-T110 HydrophobicContact CB-CG2 3.91Å; N73-T110 VanDerWaalsContact O-CG2 3.3Å; N73-T110 WeakPolarHBondContact O-CG2 3.48Å |
| 74 | L | 96.4 | Very high | 97.1 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 12% | 0.12 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 177.5 | -177.2 | 63.5 | 0 | 0 | 0 | 110.1 | D72 R76 Y77 M78 L113 A114 N117 V121 | D72-L74 WeakPolarHBondContact OD1-CA 3.38Å; D72-L74 VanDerWaalsContact OD1-CB 3.25Å; D72-L74 WeakPolarHBondContact OD1-CB 3.33Å; D72-L74 PolarHBondContact OD1-N 2.78Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 2.79Å; L74-Y77 HydrophobicContact CD1-CD1 4.3Å; L74-Y77 WeakPolarHBondContact O-CB 3.22Å; L74-Y77 PolarHBondContact O-N 3.18Å; L74-M78 VanDerWaalsContact O-CG 3.32Å; L74-M78 WeakPolarHBondContact O-CG 3.39Å; L74-M78 PolarHBondContact O-N 2.75Å; L74-L113 HydrophobicContact CD1-CB 4.24Å; L74-A114 HydrophobicContact CD1-CB 4.48Å; L74-N117 HydrophobicContact CD2-CB 4Å; L74-V121 HydrophobicContact CD1-CG1 4.25Å; L74-V121 HydrophobicContact CD2-CG1 4.24Å; L74-V121 HydrophobicContact CG-CG1 4.39Å |
| 75 | S | 97.2 | Very high | 96.9 | Very high | 43 Ų | 43 | 53.2 Ų | 53.2 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 172.1 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | D72 M78 M79 | D72-S75 PolarHBondContact OD1-N 2.65Å; D72-S75 VanDerWaalsContact OD2-CB 3.26Å; D72-S75 WeakPolarHBondContact OD2-CB 3.43Å; D72-S75 PolarHBondContact OD2-OG 2.7Å; S75-M78 PolarHBondContact O-N 2.93Å; S75-M79 PolarHBondContact O-N 2.73Å |
| 76 | R | 98.1 | Very high | 96.7 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.4 | -68.4 | 175.1 | -170.1 | 123.5 | 5.1 | 112.2 | L67 L70 D72 N73 L74 M79 L80 L105 | L67-R76 HydrophobicContact CB-CG 4.42Å; L67-R76 HydrophobicContact CD2-CB 3.98Å; L67-R76 HydrophobicContact CD2-CG 4.22Å; L67-R76 WeakPolarHBondContact CD2-O 3.12Å; L67-R76 WeakPolarHBondContact O-CG 3.45Å; L67-R76 PolarHBondContact O-NE 2.94Å; L70-R76 HydrophobicContact CB-CG 3.85Å; L70-R76 HydrophobicContact CD1-CB 4.44Å; L70-R76 HydrophobicContact CD1-CG 3.96Å; L70-R76 PolarHBondContact O-NH2 3.14Å; D72-R76 WeakPolarHBondContact O-CG 3.3Å; D72-R76 PolarHBondContact O-N 3.21Å; N73-R76 PolarHBondContact O-N 3.27Å; N73-R76 PolarHBondContact OD1-NH1 2.95Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 2.79Å; R76-M79 PolarHBondContact O-N 2.87Å; R76-L80 PolarHBondContact O-N 3.21Å; R76-L105 HydrophobicContact CB-CD1 4.03Å; R76-L105 HydrophobicContact CB-CD2 3.98Å |
| 77 | Y | 97 | Very high | 96.7 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -49.9 | 173.7 | 167.2 | -96.1 | 0 | 0 | 0 | 111.6 | N73 L74 M79 L80 M81 L105 T110 A114 | N73-Y77 WeakPolarHBondContact O-CB 3.4Å; N73-Y77 PolarHBondContact O-N 2.87Å; L74-Y77 HydrophobicContact CD1-CD1 4.3Å; L74-Y77 WeakPolarHBondContact O-CB 3.22Å; L74-Y77 PolarHBondContact O-N 3.18Å; Y77-M79 VanDerWaalsContact C-N 3.27Å; Y77-M79 PolarHBondContact O-N 3.23Å; Y77-L80 PolarHBondContact O-N 2.94Å; Y77-L80 VanDerWaalsContact O-N 3.13Å; Y77-M81 HydrophobicContact CD1-CG 4.21Å; Y77-M81 HydrophobicContact CD2-CE 4.38Å; Y77-M81 HydrophobicContact CD2-CG 4.16Å; Y77-M81 HydrophobicContact CE1-CG 3.75Å; Y77-M81 HydrophobicContact CE2-CE 4.06Å; Y77-M81 HydrophobicContact CE2-CG 3.73Å; Y77-M81 HydrophobicContact CE2-SD 3.93Å; Y77-M81 HydrophobicContact CG-CG 4.4Å; Y77-M81 WeakPolarHBondContact O-CG 3.35Å; Y77-M81 PolarHBondContact O-N 3.25Å; Y77-L105 VanDerWaalsContact CD2-O 3.26Å; Y77-L105 WeakPolarHBondContact CD2-O 3.46Å; Y77-T110 HydrophobicContact CG-CG2 4.35Å; Y77-A114 HydrophobicContact CD1-CB 4.01Å; Y77-A114 HydrophobicContact CE1-CB 3.52Å; Y77-A114 HydrophobicContact CE2-CB 4.34Å |
| 78 | M | 95.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 179.1 | -71.6 | 176.5 | 68.9 | 0 | 0 | 112.2 | L74 S75 S82 V121 | L74-M78 VanDerWaalsContact O-CG 3.32Å; L74-M78 WeakPolarHBondContact O-CG 3.39Å; L74-M78 PolarHBondContact O-N 2.75Å; S75-M78 PolarHBondContact O-N 2.93Å; M78-S82 WeakPolarHBondContact O-CB 3.48Å; M78-S82 PolarHBondContact O-N 3.05Å; M78-S82 PolarHBondContact O-OG 3.24Å; M78-V121 HydrophobicContact CE-CB 4.29Å; M78-V121 HydrophobicContact CE-CG1 4.24Å; M78-V121 HydrophobicContact CG-CB 4.25Å; M78-V121 HydrophobicContact CG-CG1 4.21Å; M78-V121 HydrophobicContact SD-CB 4.09Å; M78-V121 HydrophobicContact SD-CG1 3.6Å |
| 79 | M | 97 | Very high | 96.6 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.7 | -44.7 | 174.4 | 178.4 | 171.2 | 169.2 | 0 | 0 | 111.9 | V63 N66 L67 L70 S75 R76 Y77 S82 L83 | V63-M79 HydrophobicContact CG1-CE 4.24Å; N66-M79 HydrophobicContact CB-CE 3.42Å; N66-M79 VanDerWaalsContact CB-CE 3.42Å; N66-M79 HydrophobicContact CB-SD 4.01Å; L67-M79 HydrophobicContact CD2-CB 3.9Å; L67-M79 HydrophobicContact CD2-CE 4.49Å; L67-M79 HydrophobicContact CD2-CG 3.89Å; L67-M79 HydrophobicContact CD2-SD 3.72Å; L67-M79 HydrophobicContact CG-SD 4.31Å; L70-M79 HydrophobicContact CD1-CB 4.08Å; L70-M79 HydrophobicContact CD1-SD 3.99Å; S75-M79 PolarHBondContact O-N 2.73Å; R76-M79 PolarHBondContact O-N 2.87Å; Y77-M79 VanDerWaalsContact C-N 3.27Å; Y77-M79 PolarHBondContact O-N 3.23Å; M79-S82 PolarHBondContact O-N 2.82Å; M79-L83 PolarHBondContact O-N 3.34Å |
| 80 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 175.4 | -77.9 | 173.9 | 0 | 0 | 0 | 112 | V63 L67 R76 Y77 L83 Q84 F91 L105 I106 | V63-L80 HydrophobicContact CG1-CD2 4.41Å; L67-L80 HydrophobicContact CD1-CD1 4.22Å; L67-L80 HydrophobicContact CD1-CD2 3.84Å; L67-L80 HydrophobicContact CD1-CG 3.96Å; L67-L80 HydrophobicContact CD2-CG 4.19Å; R76-L80 PolarHBondContact O-N 3.21Å; Y77-L80 PolarHBondContact O-N 2.94Å; Y77-L80 VanDerWaalsContact O-N 3.13Å; L80-L83 WeakPolarHBondContact O-CB 3.28Å; L80-L83 PolarHBondContact O-N 2.65Å; L80-Q84 PolarHBondContact O-N 2.76Å; L80-Q84 VanDerWaalsContact O-N 3.13Å; L80-F91 HydrophobicContact CB-CE2 4.22Å; L80-F91 VanDerWaalsContact O-CD2 3.24Å; L80-F91 WeakPolarHBondContact O-CD2 3.39Å; L80-F91 VanDerWaalsContact O-CE2 3.27Å; L80-F91 WeakPolarHBondContact O-CE2 3.48Å; L80-L105 HydrophobicContact CD1-CB 3.91Å; L80-L105 HydrophobicContact CD1-CD1 3.98Å; L80-I106 HydrophobicContact CB-CG2 4.33Å; L80-I106 HydrophobicContact CD1-CG2 3.68Å |
| 81 | M | 95.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 38.3 Ų | 38.3 | 11% | 0.108 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 174 | -66.9 | -55.3 | 99.1 | 0 | 0 | 110.7 | Y77 L83 Q84 D85 F91 I106 R126 | Y77-M81 HydrophobicContact CD1-CG 4.21Å; Y77-M81 HydrophobicContact CD2-CE 4.38Å; Y77-M81 HydrophobicContact CD2-CG 4.16Å; Y77-M81 HydrophobicContact CE1-CG 3.75Å; Y77-M81 HydrophobicContact CE2-CE 4.06Å; Y77-M81 HydrophobicContact CE2-CG 3.73Å; Y77-M81 HydrophobicContact CE2-SD 3.93Å; Y77-M81 HydrophobicContact CG-CG 4.4Å; Y77-M81 WeakPolarHBondContact O-CG 3.35Å; Y77-M81 PolarHBondContact O-N 3.25Å; M81-L83 VanDerWaalsContact C-N 3.26Å; M81-L83 PolarHBondContact O-N 3.13Å; M81-Q84 PolarHBondContact O-N 2.85Å; M81-Q84 VanDerWaalsContact O-N 3.11Å; M81-D85 PolarHBondContact O-N 2.79Å; M81-D85 VanDerWaalsContact O-N 3.16Å; M81-F91 HydrophobicContact CE-CE2 3.86Å; M81-F91 HydrophobicContact CE-CZ 3.88Å; M81-I106 HydrophobicContact CE-CG2 4.03Å; M81-R126 PolarHBondContact O-NH2 3.04Å; M81-R126 PolarHBondContact SD-NH1 3.11Å; M81-R126 VanDerWaalsContact SD-NH1 3.36Å |
| 82 | S | 95.4 | Very high | 96.7 | Very high | 34 Ų | 34 | 31 Ų | 31 | 24% | 0.238 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.2 | -37.9 | 175.1 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | M78 M79 Q84 D85 L86 | M78-S82 WeakPolarHBondContact O-CB 3.48Å; M78-S82 PolarHBondContact O-N 3.05Å; M78-S82 PolarHBondContact O-OG 3.24Å; M79-S82 PolarHBondContact O-N 2.82Å; S82-Q84 PolarHBondContact O-N 2.82Å; S82-D85 WeakPolarHBondContact O-CB 3.42Å; S82-D85 PolarHBondContact O-N 2.87Å; S82-D85 VanDerWaalsContact O-N 3.1Å; S82-L86 VanDerWaalsContact O-CG 3.31Å; S82-L86 WeakPolarHBondContact O-CG 3.25Å; S82-L86 PolarHBondContact O-N 2.8Å |
| 83 | L | 97 | Very high | 96.7 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 11% | 0.105 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 175.7 | 176.5 | 63.2 | 0 | 0 | 0 | 111.8 | V63 M79 L80 M81 D85 L86 N87 L90 F91 | V63-L83 HydrophobicContact CB-CD2 4.36Å; V63-L83 HydrophobicContact CG1-CD2 3.75Å; V63-L83 HydrophobicContact CG2-CD1 4.21Å; V63-L83 HydrophobicContact CG2-CD2 3.77Å; M79-L83 PolarHBondContact O-N 3.34Å; L80-L83 WeakPolarHBondContact O-CB 3.28Å; L80-L83 PolarHBondContact O-N 2.65Å; M81-L83 VanDerWaalsContact C-N 3.26Å; M81-L83 PolarHBondContact O-N 3.13Å; L83-D85 PolarHBondContact O-N 2.9Å; L83-L86 PolarHBondContact O-N 2.84Å; L83-L86 VanDerWaalsContact O-N 3.08Å; L83-N87 HydrophobicContact CD1-CB 4.43Å; L83-N87 CarbonylContact O-C 3.42Å; L83-N87 PolarHBondContact O-N 3.18Å; L83-L90 HydrophobicContact CD1-CB 4.38Å; L83-L90 HydrophobicContact CD1-CD2 3.86Å; L83-L90 HydrophobicContact CD1-CG 4.1Å; L83-L90 HydrophobicContact CD2-CG 4.45Å; L83-F91 HydrophobicContact CD2-CB 4.24Å; L83-F91 HydrophobicContact CD2-CD2 4.5Å; L83-F91 HydrophobicContact CG-CB 4.05Å |
| 84 | Q | 96.2 | Very high | 96.8 | Very high | 29 Ų | 29 | 28 Ų | 28 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -28 | 175.9 | 177.3 | 179.2 | 11.9 | 0 | 0 | 112.2 | L80 M81 S82 L86 F91 R126 | L80-Q84 PolarHBondContact O-N 2.76Å; L80-Q84 VanDerWaalsContact O-N 3.13Å; M81-Q84 PolarHBondContact O-N 2.85Å; M81-Q84 VanDerWaalsContact O-N 3.11Å; S82-Q84 PolarHBondContact O-N 2.82Å; Q84-L86 PolarHBondContact O-N 2.76Å; Q84-F91 HydrophobicContact CB-CB 3.91Å; Q84-F91 HydrophobicContact CB-CD1 3.7Å; Q84-F91 HydrophobicContact CB-CD2 3.65Å; Q84-F91 HydrophobicContact CB-CE1 3.97Å; Q84-F91 HydrophobicContact CB-CE2 3.91Å; Q84-F91 HydrophobicContact CB-CG 3.5Å; Q84-F91 VanDerWaalsContact CB-CG 3.5Å; Q84-F91 HydrophobicContact CB-CZ 4.05Å; Q84-F91 VanDerWaalsContact CD-CE1 3.43Å; Q84-F91 HydrophobicContact CG-CD1 3.82Å; Q84-F91 HydrophobicContact CG-CE1 3.98Å; Q84-F91 HydrophobicContact CG-CG 4.13Å; Q84-F91 HydrophobicContact CG-CZ 4.43Å; Q84-R126 VanDerWaalsContact CG-NH2 3.29Å |
| 85 | D | 93.9 | Very high | 96.9 | Very high | 31 Ų | 31 | 26.9 Ų | 26.9 | 17% | 0.166 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -77.1 | -13.1 | 176.9 | -74.8 | -29.1 | 0 | 0 | 0 | 112.7 | P27 M81 S82 L83 R124 R126 | P27-D85 WeakPolarHBondContact CG-O 3.48Å; M81-D85 PolarHBondContact O-N 2.79Å; M81-D85 VanDerWaalsContact O-N 3.16Å; S82-D85 WeakPolarHBondContact O-CB 3.42Å; S82-D85 PolarHBondContact O-N 2.87Å; S82-D85 VanDerWaalsContact O-N 3.1Å; L83-D85 PolarHBondContact O-N 2.9Å; D85-R124 PolarHBondContact O-NH1 3.11Å; D85-R124 WeakPolarHBondContact OD1-CD 3.48Å; D85-R126 IonicContact OD1-CZ 3.86Å; D85-R126 IonicContact OD1-NE 2.96Å; D85-R126 PolarHBondContact OD1-NE 3.16Å; D85-R126 IonicContact OD1-NH2 3.88Å; D85-R126 PolarHBondContact OD1-NH2 3.19Å; D85-R126 IonicContact OD2-CZ 3.77Å; D85-R126 IonicContact OD2-NE 3.04Å; D85-R126 IonicContact OD2-NH2 2.81Å |
| 86 | L | 94.9 | Very high | 96.8 | Very high | 108 Ų | 108 | 27.9 Ų | 27.9 | 57% | 0.565 | 13% | 0.132 | S | C | * | . | H | α-helix | trans | -109.7 | -39 | -177.3 | -67.3 | 171.5 | 0 | 0 | 0 | 111.5 | N30 S82 L83 Q84 | N30-L86 VanDerWaalsContact CB-O 3.3Å; N30-L86 WeakPolarHBondContact CB-O 3.49Å; N30-L86 PolarHBondContact ND2-O 2.86Å; S82-L86 VanDerWaalsContact O-CG 3.31Å; S82-L86 WeakPolarHBondContact O-CG 3.25Å; S82-L86 PolarHBondContact O-N 2.8Å; L83-L86 PolarHBondContact O-N 2.84Å; L83-L86 VanDerWaalsContact O-N 3.08Å; Q84-L86 PolarHBondContact O-N 2.76Å |
| 87 | N | 97.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | trans | -156.4 | 95.1 | -172.3 | -172.8 | -29.9 | 0 | 0 | 0 | 110.6 | N30 L83 K89 L90 F91 Y554 | N30-N87 VanDerWaalsContact O-CG 3.27Å; N30-N87 PolarHBondContact O-ND2 3.42Å; N30-N87 PolarHBondContact O-OD1 2.87Å; L83-N87 HydrophobicContact CD1-CB 4.43Å; L83-N87 CarbonylContact O-C 3.42Å; L83-N87 PolarHBondContact O-N 3.18Å; N87-K89 PolarHBondContact O-N 3.46Å; N87-K89 PolarHBondContact OD1-N 2.65Å; N87-L90 HydrophobicContact CB-CB 3.98Å; N87-L90 PolarHBondContact O-N 3.3Å; N87-L90 WeakPolarHBondContact OD1-CB 3.45Å; N87-L90 PolarHBondContact OD1-N 3.42Å; N87-F91 WeakPolarHBondContact O-CB 3.44Å; N87-F91 PolarHBondContact O-N 3.07Å; N87-Y554 PolarHBondContact ND2-OH 3.49Å | ||
| 88 | E | 96.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 31.6 Ų | 31.6 | 16% | 0.159 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | -175.2 | -174 | -172.9 | 88 | 0 | 0 | 111.8 | P27 F91 Y92 P190 Y550 | P27-E88 HydrophobicContact CB-CB 4.42Å; P27-E88 WeakPolarHBondContact O-CB 3.45Å; P27-E88 PolarHBondContact O-N 3.25Å; E88-F91 WeakPolarHBondContact O-CB 3.45Å; E88-F91 PolarHBondContact O-N 2.83Å; E88-Y92 HydrophobicContact CG-CD2 3.88Å; E88-Y92 HydrophobicContact CG-CE2 3.65Å; E88-Y92 WeakPolarHBondContact O-CD2 3.49Å; E88-Y92 PolarHBondContact O-N 2.84Å; E88-Y92 VanDerWaalsContact O-N 3.09Å; E88-P190 HydrophobicContact CG-CG 4.34Å; E88-Y550 PolarHBondContact OE1-OH 3.06Å |
| 89 | K | 97.2 | Very high | 96.7 | Very high | 24 Ų | 24 | 30.3 Ų | 30.3 | 10% | 0.104 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.7 | -41.8 | -178.7 | -76.8 | -163.5 | 167.9 | -146.8 | 0 | 112.2 | Q56 N87 F91 R93 D551 H552 R553 Y554 | Q56-K89 PolarHBondContact NE2-O 3.1Å; N87-K89 PolarHBondContact O-N 3.46Å; N87-K89 PolarHBondContact OD1-N 2.65Å; K89-F91 VanDerWaalsContact C-N 3.34Å; K89-R93 VanDerWaalsContact O-CB 3.23Å; K89-R93 WeakPolarHBondContact O-CB 3.47Å; K89-R93 PolarHBondContact O-N 2.92Å; K89-D551 PolarHBondContact NZ-O 3.35Å; K89-H552 WeakPolarHBondContact CB-O 3.26Å; K89-R553 WeakPolarHBondContact CD-O 3.38Å; K89-R553 PolarHBondContact NZ-O 3.07Å; K89-Y554 HydrophobicContact CB-CD1 3.78Å; K89-Y554 HydrophobicContact CB-CE1 3.79Å; K89-Y554 HydrophobicContact CD-CD1 4.19Å |
| 90 | L | 98.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 175.3 | -175.6 | 55 | 0 | 0 | 0 | 111.9 | Q56 E59 V63 L83 N87 R93 T94 Y554 | Q56-L90 HydrophobicContact CG-CD1 4.09Å; E59-L90 HydrophobicContact CB-CD1 3.73Å; E59-L90 HydrophobicContact CB-CD2 3.77Å; E59-L90 HydrophobicContact CB-CG 4.44Å; V63-L90 HydrophobicContact CG2-CD2 4.34Å; L83-L90 HydrophobicContact CD1-CB 4.38Å; L83-L90 HydrophobicContact CD1-CD2 3.86Å; L83-L90 HydrophobicContact CD1-CG 4.1Å; L83-L90 HydrophobicContact CD2-CG 4.45Å; N87-L90 HydrophobicContact CB-CB 3.98Å; N87-L90 PolarHBondContact O-N 3.3Å; N87-L90 WeakPolarHBondContact OD1-CB 3.45Å; N87-L90 PolarHBondContact OD1-N 3.42Å; L90-R93 PolarHBondContact O-N 2.98Å; L90-T94 VanDerWaalsContact O-CB 3.28Å; L90-T94 WeakPolarHBondContact O-CB 3.47Å; L90-T94 PolarHBondContact O-N 3.38Å; L90-T94 PolarHBondContact O-OG1 2.75Å; L90-Y554 WeakPolarHBondContact CB-OH 3.41Å |
| 91 | F | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.6 | -55.7 | 174.9 | 170 | -105.6 | 0 | 0 | 0 | 111.7 | L80 M81 L83 Q84 N87 E88 K89 R93 T94 I95 V180 | L80-F91 HydrophobicContact CB-CE2 4.22Å; L80-F91 VanDerWaalsContact O-CD2 3.24Å; L80-F91 WeakPolarHBondContact O-CD2 3.39Å; L80-F91 VanDerWaalsContact O-CE2 3.27Å; L80-F91 WeakPolarHBondContact O-CE2 3.48Å; M81-F91 HydrophobicContact CE-CE2 3.86Å; M81-F91 HydrophobicContact CE-CZ 3.88Å; L83-F91 HydrophobicContact CD2-CB 4.24Å; L83-F91 HydrophobicContact CD2-CD2 4.5Å; L83-F91 HydrophobicContact CG-CB 4.05Å; Q84-F91 HydrophobicContact CB-CB 3.91Å; Q84-F91 HydrophobicContact CB-CD1 3.7Å; Q84-F91 HydrophobicContact CB-CD2 3.65Å; Q84-F91 HydrophobicContact CB-CE1 3.97Å; Q84-F91 HydrophobicContact CB-CE2 3.91Å; Q84-F91 HydrophobicContact CB-CG 3.5Å; Q84-F91 VanDerWaalsContact CB-CG 3.5Å; Q84-F91 HydrophobicContact CB-CZ 4.05Å; Q84-F91 VanDerWaalsContact CD-CE1 3.43Å; Q84-F91 HydrophobicContact CG-CD1 3.82Å; Q84-F91 HydrophobicContact CG-CE1 3.98Å; Q84-F91 HydrophobicContact CG-CG 4.13Å; Q84-F91 HydrophobicContact CG-CZ 4.43Å; N87-F91 WeakPolarHBondContact O-CB 3.44Å; N87-F91 PolarHBondContact O-N 3.07Å; E88-F91 WeakPolarHBondContact O-CB 3.45Å; E88-F91 PolarHBondContact O-N 2.83Å; K89-F91 VanDerWaalsContact C-N 3.34Å; F91-R93 PolarHBondContact O-N 3Å; F91-T94 PolarHBondContact O-N 2.94Å; F91-I95 HydrophobicContact CD1-CD1 3.87Å; F91-I95 HydrophobicContact CD2-CD1 3.85Å; F91-I95 HydrophobicContact CE1-CD1 3.43Å; F91-I95 VanDerWaalsContact CE1-CD1 3.43Å; F91-I95 HydrophobicContact CE2-CD1 3.41Å; F91-I95 VanDerWaalsContact CE2-CD1 3.41Å; F91-I95 HydrophobicContact CE2-CG1 4.39Å; F91-I95 HydrophobicContact CG-CD1 4.08Å; F91-I95 HydrophobicContact CZ-CD1 3.2Å; F91-I95 WeakPolarHBondContact O-CG1 3.23Å; F91-I95 PolarHBondContact O-N 3.19Å; F91-V180 HydrophobicContact CE1-CB 4.5Å; F91-V180 HydrophobicContact CE1-CG1 3.67Å; F91-V180 HydrophobicContact CE1-CG2 4.03Å; F91-V180 HydrophobicContact CZ-CG1 3.66Å; F91-V180 HydrophobicContact CZ-CG2 4.01Å |
| 92 | Y | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.02 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.3 | -40.3 | 179.4 | -72.8 | -62.4 | 0 | 0 | 0 | 111.9 | E88 T94 I95 R96 V180 T183 A184 P190 Y550 | E88-Y92 HydrophobicContact CG-CD2 3.88Å; E88-Y92 HydrophobicContact CG-CE2 3.65Å; E88-Y92 WeakPolarHBondContact O-CD2 3.49Å; E88-Y92 PolarHBondContact O-N 2.84Å; E88-Y92 VanDerWaalsContact O-N 3.09Å; Y92-T94 VanDerWaalsContact C-N 3.31Å; Y92-T94 PolarHBondContact O-N 3.28Å; Y92-I95 PolarHBondContact O-N 3.13Å; Y92-R96 VanDerWaalsContact O-CB 3.25Å; Y92-R96 WeakPolarHBondContact O-CB 3.5Å; Y92-R96 WeakPolarHBondContact O-CG 3.3Å; Y92-R96 PolarHBondContact O-N 3.4Å; Y92-V180 HydrophobicContact CE1-CG1 4.17Å; Y92-T183 HydrophobicContact CD1-CG2 3.59Å; Y92-T183 HydrophobicContact CD2-CG2 3.94Å; Y92-T183 HydrophobicContact CE1-CG2 3.4Å; Y92-T183 VanDerWaalsContact CE1-CG2 3.4Å; Y92-T183 HydrophobicContact CE2-CG2 3.77Å; Y92-T183 HydrophobicContact CG-CG2 3.87Å; Y92-T183 VanDerWaalsContact CZ-CG2 3.48Å; Y92-A184 HydrophobicContact CD1-CB 4.16Å; Y92-A184 HydrophobicContact CE1-CB 4.39Å; Y92-P190 HydrophobicContact CD2-CG 4.16Å; Y92-P190 HydrophobicContact CE2-CB 4.06Å; Y92-P190 HydrophobicContact CE2-CG 3.37Å; Y92-Y550 HydrophobicContact CD2-CD1 4.39Å; Y92-Y550 AromaticContact CD2-CE1 3.57Å; Y92-Y550 HydrophobicContact CD2-CE1 3.57Å; Y92-Y550 HydrophobicContact CE2-CE1 4.34Å; Y92-Y550 AromaticContact CG-CE1 3.96Å; Y92-Y550 HydrophobicContact CG-CE1 3.96Å |
| 93 | R | 97.5 | Very high | 96.6 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 23% | 0.234 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.1 | -43.7 | 174.2 | 178.2 | 60.7 | 169.2 | -179.7 | -5.1 | 111.7 | Q56 D57 K89 L90 F91 R96 T97 | Q56-R93 HydrophobicContact CG-CB 4.32Å; Q56-R93 HydrophobicContact CG-CG 3.93Å; D57-R93 IonicContact OD1-CZ 3.59Å; D57-R93 IonicContact OD1-NE 3.85Å; D57-R93 PolarHBondContact OD1-NE 2.94Å; D57-R93 IonicContact OD1-NH2 3.2Å; D57-R93 PolarHBondContact OD1-NH2 3.23Å; D57-R93 IonicContact OD2-NH2 2.73Å; D57-R93 PolarHBondContact OD2-NH2 3.09Å; K89-R93 VanDerWaalsContact O-CB 3.23Å; K89-R93 WeakPolarHBondContact O-CB 3.47Å; K89-R93 PolarHBondContact O-N 2.92Å; L90-R93 PolarHBondContact O-N 2.98Å; F91-R93 PolarHBondContact O-N 3Å; R93-R96 PolarHBondContact O-N 2.83Å; R93-T97 WeakPolarHBondContact O-CB 3.28Å; R93-T97 PolarHBondContact O-N 3.1Å; R93-T97 PolarHBondContact O-OG1 3.27Å |
| 94 | T | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -47.8 | -179.8 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | V63 I64 L90 F91 Y92 R96 T97 H98 | V63-T94 HydrophobicContact CB-CG2 4.23Å; V63-T94 HydrophobicContact CG1-CG2 3.93Å; I64-T94 HydrophobicContact CD1-CG2 3.62Å; I64-T94 HydrophobicContact CG1-CG2 3.99Å; L90-T94 VanDerWaalsContact O-CB 3.28Å; L90-T94 WeakPolarHBondContact O-CB 3.47Å; L90-T94 PolarHBondContact O-N 3.38Å; L90-T94 PolarHBondContact O-OG1 2.75Å; F91-T94 PolarHBondContact O-N 2.94Å; Y92-T94 VanDerWaalsContact C-N 3.31Å; Y92-T94 PolarHBondContact O-N 3.28Å; T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 3.19Å; T94-T97 PolarHBondContact O-N 3.12Å; T94-H98 PolarHBondContact O-N 2.93Å |
| 95 | I | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 175.7 | -69.3 | 163.6 | 0 | 0 | 0 | 110.3 | F91 Y92 H98 L99 C102 I106 V180 A184 | F91-I95 HydrophobicContact CD1-CD1 3.87Å; F91-I95 HydrophobicContact CD2-CD1 3.85Å; F91-I95 HydrophobicContact CE1-CD1 3.43Å; F91-I95 VanDerWaalsContact CE1-CD1 3.43Å; F91-I95 HydrophobicContact CE2-CD1 3.41Å; F91-I95 VanDerWaalsContact CE2-CD1 3.41Å; F91-I95 HydrophobicContact CE2-CG1 4.39Å; F91-I95 HydrophobicContact CG-CD1 4.08Å; F91-I95 HydrophobicContact CZ-CD1 3.2Å; F91-I95 WeakPolarHBondContact O-CG1 3.23Å; F91-I95 PolarHBondContact O-N 3.19Å; Y92-I95 PolarHBondContact O-N 3.13Å; I95-H98 CarbonylContact O-C 3.02Å; I95-H98 PolarHBondContact O-N 3.42Å; I95-L99 HydrophobicContact CG2-CD1 4.18Å; I95-L99 WeakPolarHBondContact O-CA 3.39Å; I95-L99 PolarHBondContact O-N 2.8Å; I95-C102 HydrophobicContact CB-CB 4.4Å; I95-C102 HydrophobicContact CG1-CB 4.12Å; I95-C102 HydrophobicContact CG2-CB 4.36Å; I95-I106 HydrophobicContact CD1-CD1 3.76Å; I95-I106 HydrophobicContact CD1-CG2 4.49Å; I95-I106 HydrophobicContact CG1-CD1 4.18Å; I95-I106 HydrophobicContact CG2-CD1 3.96Å; I95-V180 HydrophobicContact CD1-CG1 4.07Å; I95-A184 HydrophobicContact CG2-CB 3.92Å |
| 96 | R | 96 | Very high | 96.6 | Very high | 63 Ų | 63 | 32 Ų | 32 | 24% | 0.238 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.6 | -41.3 | -177.6 | -73.7 | -63.4 | -49.9 | -143.4 | -9.4 | 113.7 | Y92 R93 T94 A184 Y549 | Y92-R96 VanDerWaalsContact O-CB 3.25Å; Y92-R96 WeakPolarHBondContact O-CB 3.5Å; Y92-R96 WeakPolarHBondContact O-CG 3.3Å; Y92-R96 PolarHBondContact O-N 3.4Å; R93-R96 PolarHBondContact O-N 2.83Å; T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 3.19Å; R96-A184 WeakPolarHBondContact CD-O 3.47Å; R96-A184 PolarHBondContact NH1-O 3.12Å; R96-Y549 PolarHBondContact NH1-OH 3.31Å |
| 97 | T | 96 | Very high | 96.5 | Very high | 72 Ų | 72 | 27.2 Ų | 27.2 | 44% | 0.442 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -72.3 | -32.6 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | R93 T94 | R93-T97 WeakPolarHBondContact O-CB 3.28Å; R93-T97 PolarHBondContact O-N 3.1Å; R93-T97 PolarHBondContact O-OG1 3.27Å; T94-T97 PolarHBondContact O-N 3.12Å |
| 98 | H | 96.5 | Very high | 96.2 | Very high | 60 Ų | 60 | 27.2 Ų | 27.2 | 28% | 0.278 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | 45.1 | -175.1 | -58.4 | -79.9 | 0 | 0 | 0 | 112.1 | I64 T94 I95 E100 Y101 C102 | I64-H98 HydrophobicContact CD1-CB 3.78Å; I64-H98 HydrophobicContact CG1-CB 4.3Å; I64-H98 WeakPolarHBondContact CG1-CD2 3.45Å; T94-H98 PolarHBondContact O-N 2.93Å; I95-H98 CarbonylContact O-C 3.02Å; I95-H98 PolarHBondContact O-N 3.42Å; H98-E100 PolarHBondContact O-N 3.25Å; H98-Y101 PolarHBondContact O-N 2.85Å; H98-Y101 VanDerWaalsContact O-N 3.14Å; H98-C102 WeakPolarHBondContact O-CB 3.35Å; H98-C102 PolarHBondContact O-N 3.14Å; H98-C102 PolarHBondContact O-SG 3.21Å |
| 99 | L | 96 | Very high | 95.9 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | -167.7 | -180 | 58.7 | 0 | 0 | 0 | 113.3 | I95 Y101 C102 L103 L185 I508 L511 P512 | I95-L99 HydrophobicContact CG2-CD1 4.18Å; I95-L99 WeakPolarHBondContact O-CA 3.39Å; I95-L99 PolarHBondContact O-N 2.8Å; L99-Y101 VanDerWaalsContact C-N 3.25Å; L99-Y101 PolarHBondContact O-N 3.18Å; L99-C102 PolarHBondContact O-N 3.2Å; L99-L103 HydrophobicContact CD1-CB 4.23Å; L99-L103 WeakPolarHBondContact O-CB 3.23Å; L99-L103 PolarHBondContact O-N 3.43Å; L99-L185 HydrophobicContact CD1-CD2 3.85Å; L99-L185 HydrophobicContact CD2-CD2 3.97Å; L99-I508 VanDerWaalsContact CD2-O 3.28Å; L99-I508 WeakPolarHBondContact CD2-O 3.07Å; L99-I508 HydrophobicContact CG-CG2 4.24Å; L99-L511 HydrophobicContact CD2-CB 4.2Å; L99-P512 HydrophobicContact CD2-CG 4.21Å |
| 100 | E | 93.8 | Very high | 95.8 | Very high | 120 Ų | 120 | 26.3 Ų | 26.3 | 56% | 0.561 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -62.5 | -33.5 | -179.2 | -64.7 | -179.2 | 123.1 | 0 | 0 | 112.5 | H98 P104 I508 A509 | H98-E100 PolarHBondContact O-N 3.25Å; E100-P104 VanDerWaalsContact O-CD 3.25Å; E100-P104 WeakPolarHBondContact O-CD 3.36Å; E100-I508 HydrophobicContact CG-CB 4.24Å; E100-I508 HydrophobicContact CG-CG2 4.04Å; E100-A509 HydrophobicContact CG-CB 4.33Å |
| 101 | Y | 95.8 | Very high | 95.6 | Very high | 52 Ų | 52 | 26 Ų | 26 | 20% | 0.204 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -79.5 | -43.4 | 176.9 | 177.8 | -100 | 0 | 0 | 0 | 112.3 | I64 L67 Y68 H98 L99 L105 | I64-Y101 HydrophobicContact CD1-CD1 4.09Å; I64-Y101 HydrophobicContact CD1-CE1 4.35Å; L67-Y101 HydrophobicContact CB-CE1 4.02Å; L67-Y101 HydrophobicContact CD1-CE1 3.98Å; Y68-Y101 HydrophobicContact CD1-CE2 4.2Å; Y68-Y101 HydrophobicContact CE1-CD2 4.2Å; Y68-Y101 AromaticContact CE1-CE2 3.54Å; Y68-Y101 HydrophobicContact CE1-CE2 3.54Å; Y68-Y101 HydrophobicContact CE2-CE2 4.37Å; Y68-Y101 AromaticContact CZ-CD2 3.94Å; Y68-Y101 AromaticContact CZ-CE2 3.64Å; H98-Y101 PolarHBondContact O-N 2.85Å; H98-Y101 VanDerWaalsContact O-N 3.14Å; L99-Y101 VanDerWaalsContact C-N 3.25Å; L99-Y101 PolarHBondContact O-N 3.18Å; Y101-L105 HydrophobicContact CD1-CD1 4.14Å; Y101-L105 HydrophobicContact CE1-CD1 3.68Å |
| 102 | C | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -77.3 | -33.3 | -174.4 | -70.8 | 0 | 0 | 0 | 0 | 113 | I95 H98 L99 L105 I106 | I95-C102 HydrophobicContact CB-CB 4.4Å; I95-C102 HydrophobicContact CG1-CB 4.12Å; I95-C102 HydrophobicContact CG2-CB 4.36Å; H98-C102 WeakPolarHBondContact O-CB 3.35Å; H98-C102 PolarHBondContact O-N 3.14Å; H98-C102 PolarHBondContact O-SG 3.21Å; L99-C102 PolarHBondContact O-N 3.2Å; C102-L105 WeakPolarHBondContact O-CA 3.41Å; C102-L105 WeakPolarHBondContact O-CB 3.39Å; C102-L105 PolarHBondContact O-N 3.24Å; C102-I106 WeakPolarHBondContact O-CG1 3.35Å; C102-I106 PolarHBondContact O-N 3.18Å; C102-I106 VanDerWaalsContact O-N 3.07Å |
| 103 | L | 95.8 | Very high | 95.2 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | -173.5 | -179.1 | 65.8 | 0 | 0 | 0 | 113 | L99 L105 I106 Y107 L181 I508 L511 | L99-L103 HydrophobicContact CD1-CB 4.23Å; L99-L103 WeakPolarHBondContact O-CB 3.23Å; L99-L103 PolarHBondContact O-N 3.43Å; L103-L105 PolarHBondContact O-N 2.77Å; L103-I106 PolarHBondContact O-N 2.82Å; L103-Y107 PolarHBondContact O-N 3.01Å; L103-L181 HydrophobicContact CD1-CD1 4.06Å; L103-L181 HydrophobicContact CD1-CD2 3.63Å; L103-I508 HydrophobicContact CD2-CG2 3.7Å; L103-L511 HydrophobicContact CD2-CD1 3.83Å |
| 104 | P | 94.3 | Very high | 95.1 | Very high | 36 Ų | 36 | 26.2 Ų | 26.2 | 23% | 0.234 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.8 | -21.2 | 175.9 | -21.6 | 34.1 | 0 | 0 | 0 | 114.1 | E100 T108 T110 | E100-P104 VanDerWaalsContact O-CD 3.25Å; E100-P104 WeakPolarHBondContact O-CD 3.36Å; P104-T108 WeakPolarHBondContact CA-O 3.32Å; P104-T110 WeakPolarHBondContact O-CB 3.3Å; P104-T110 PolarHBondContact O-N 3.25Å; P104-T110 PolarHBondContact O-OG1 3.38Å |
| 105 | L | 96.7 | Very high | 95 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -81.4 | -39.4 | 178.9 | -56.9 | 177.2 | 0 | 0 | 0 | 112 | N73 R76 Y77 L80 Y101 C102 L103 T110 | N73-L105 HydrophobicContact CB-CD2 4.05Å; N73-L105 WeakPolarHBondContact OD1-CD2 3.29Å; R76-L105 HydrophobicContact CB-CD1 4.03Å; R76-L105 HydrophobicContact CB-CD2 3.98Å; Y77-L105 VanDerWaalsContact CD2-O 3.26Å; Y77-L105 WeakPolarHBondContact CD2-O 3.46Å; L80-L105 HydrophobicContact CD1-CB 3.91Å; L80-L105 HydrophobicContact CD1-CD1 3.98Å; Y101-L105 HydrophobicContact CD1-CD1 4.14Å; Y101-L105 HydrophobicContact CE1-CD1 3.68Å; C102-L105 WeakPolarHBondContact O-CA 3.41Å; C102-L105 WeakPolarHBondContact O-CB 3.39Å; C102-L105 PolarHBondContact O-N 3.24Å; L103-L105 PolarHBondContact O-N 2.77Å; L105-T110 VanDerWaalsContact O-CB 3.27Å; L105-T110 WeakPolarHBondContact O-CB 3.24Å; L105-T110 WeakPolarHBondContact O-CG2 3.43Å |
| 106 | I | 95.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -95.1 | -7.1 | -177.4 | 65.2 | 173.8 | 0 | 0 | 0 | 113.6 | L80 M81 I95 C102 L103 S177 V180 L181 | L80-I106 HydrophobicContact CB-CG2 4.33Å; L80-I106 HydrophobicContact CD1-CG2 3.68Å; M81-I106 HydrophobicContact CE-CG2 4.03Å; I95-I106 HydrophobicContact CD1-CD1 3.76Å; I95-I106 HydrophobicContact CD1-CG2 4.49Å; I95-I106 HydrophobicContact CG1-CD1 4.18Å; I95-I106 HydrophobicContact CG2-CD1 3.96Å; C102-I106 WeakPolarHBondContact O-CG1 3.35Å; C102-I106 PolarHBondContact O-N 3.18Å; C102-I106 VanDerWaalsContact O-N 3.07Å; L103-I106 PolarHBondContact O-N 2.82Å; I106-S177 VanDerWaalsContact O-CB 3.27Å; I106-S177 WeakPolarHBondContact O-CB 3.2Å; I106-S177 PolarHBondContact O-OG 3.2Å; I106-V180 HydrophobicContact CD1-CG1 3.83Å; I106-L181 HydrophobicContact CD1-CD2 3.78Å; I106-L181 HydrophobicContact CG1-CD2 4.39Å |
| 107 | Y | 94.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -140 | -132.6 | 179.4 | -166.8 | -139.8 | 0 | 0 | 0 | 110.3 | L103 P109 T110 V111 K178 L181 N458 C460 F463 | L103-Y107 PolarHBondContact O-N 3.01Å; Y107-P109 CarbonylContact O-C 3.17Å; Y107-T110 PolarHBondContact O-N 3.36Å; Y107-V111 HydrophobicContact CD2-CG1 4.18Å; Y107-V111 WeakPolarHBondContact O-CB 3.48Å; Y107-V111 VanDerWaalsContact O-CG1 3.24Å; Y107-V111 WeakPolarHBondContact O-CG1 3.42Å; Y107-V111 PolarHBondContact O-N 2.65Å; Y107-K178 HydrophobicContact CE2-CG 4.23Å; Y107-K178 PolarHBondContact OH-NZ 3.23Å; Y107-K178 VanDerWaalsContact OH-NZ 3.16Å; Y107-L181 HydrophobicContact CD1-CD1 3.55Å; Y107-L181 HydrophobicContact CD2-CD1 4.09Å; Y107-L181 HydrophobicContact CE1-CD1 4.04Å; Y107-L181 HydrophobicContact CG-CD1 3.57Å; Y107-N458 WeakPolarHBondContact CE1-OD1 3.42Å; Y107-C460 HydrophobicContact CD1-CB 4.25Å; Y107-C460 HydrophobicContact CE1-CB 3.91Å; Y107-F463 HydrophobicContact CE1-CE1 4.04Å; Y107-F463 AromaticContact CZ-CE1 3.93Å |
| 108 | T | 90.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 132.2 | -174.7 | -55.1 | 0 | 0 | 0 | 0 | 111 | P104 N413 | P104-T108 WeakPolarHBondContact CA-O 3.32Å; T108-N413 HydrophobicContact CG2-CB 3.87Å; T108-N413 WeakPolarHBondContact CG2-O 3.09Å |
| 109 | P | 90.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 24.6 Ų | 24.6 | 25% | 0.247 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -94.5 | -11.1 | 9.8 | 35.9 | -35.3 | 0 | 0 | 0 | 115.5 | Y107 V111 G112 | Y107-P109 CarbonylContact O-C 3.17Å; P109-V111 VanDerWaalsContact C-N 3.34Å; P109-V111 PolarHBondContact O-N 3.03Å; P109-G112 PolarHBondContact O-N 2.8Å |
| 110 | T | 94.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.4 | -29.8 | -168 | -53.3 | 0 | 0 | 0 | 0 | 114 | N73 Y77 P104 L105 Y107 G112 L113 A114 | N73-T110 HydrophobicContact CB-CG2 3.91Å; N73-T110 VanDerWaalsContact O-CG2 3.3Å; N73-T110 WeakPolarHBondContact O-CG2 3.48Å; Y77-T110 HydrophobicContact CG-CG2 4.35Å; P104-T110 WeakPolarHBondContact O-CB 3.3Å; P104-T110 PolarHBondContact O-N 3.25Å; P104-T110 PolarHBondContact O-OG1 3.38Å; L105-T110 VanDerWaalsContact O-CB 3.27Å; L105-T110 WeakPolarHBondContact O-CB 3.24Å; L105-T110 WeakPolarHBondContact O-CG2 3.43Å; Y107-T110 PolarHBondContact O-N 3.36Å; T110-G112 PolarHBondContact O-N 3.39Å; T110-L113 WeakPolarHBondContact O-CA 3.41Å; T110-L113 VanDerWaalsContact O-CB 3.32Å; T110-L113 WeakPolarHBondContact O-CB 3.5Å; T110-L113 PolarHBondContact O-N 3.3Å; T110-A114 PolarHBondContact O-N 3.31Å |
| 111 | V | 94.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.9 | -29.9 | 172.7 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | Y107 P109 A114 C115 L162 A173 I174 S177 | Y107-V111 HydrophobicContact CD2-CG1 4.18Å; Y107-V111 WeakPolarHBondContact O-CB 3.48Å; Y107-V111 VanDerWaalsContact O-CG1 3.24Å; Y107-V111 WeakPolarHBondContact O-CG1 3.42Å; Y107-V111 PolarHBondContact O-N 2.65Å; P109-V111 VanDerWaalsContact C-N 3.34Å; P109-V111 PolarHBondContact O-N 3.03Å; V111-A114 WeakPolarHBondContact O-CB 3.14Å; V111-A114 PolarHBondContact O-N 3.05Å; V111-C115 PolarHBondContact O-N 2.91Å; V111-C115 PolarHBondContact O-SG 3.3Å; V111-L162 HydrophobicContact CG1-CD1 4.19Å; V111-A173 HydrophobicContact CG2-CB 4.07Å; V111-I174 HydrophobicContact CG1-CD1 4.15Å; V111-I174 HydrophobicContact CG2-CD1 3.87Å; V111-S177 WeakPolarHBondContact CG2-OG 3.4Å |
| 112 | G | 93.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P109 T110 A114 C115 L116 | P109-G112 PolarHBondContact O-N 2.8Å; T110-G112 PolarHBondContact O-N 3.39Å; G112-A114 VanDerWaalsContact C-N 3.32Å; G112-A114 PolarHBondContact O-N 2.78Å; G112-C115 WeakPolarHBondContact O-CB 3.47Å; G112-C115 PolarHBondContact O-N 3.21Å; G112-L116 WeakPolarHBondContact O-CG 3.38Å; G112-L116 PolarHBondContact O-N 2.59Å |
| 113 | L | 94.5 | Very high | 93.5 | Very high | 72 Ų | 72 | 36 Ų | 36 | 38% | 0.377 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 173.5 | -58.2 | 176.6 | 0 | 0 | 0 | 111.4 | L74 T110 C115 L116 N117 | L74-L113 HydrophobicContact CD1-CB 4.24Å; T110-L113 WeakPolarHBondContact O-CA 3.41Å; T110-L113 VanDerWaalsContact O-CB 3.32Å; T110-L113 WeakPolarHBondContact O-CB 3.5Å; T110-L113 PolarHBondContact O-N 3.3Å; L113-C115 VanDerWaalsContact C-N 3.34Å; L113-L116 HydrophobicContact CD2-CD1 4.49Å; L113-L116 PolarHBondContact O-N 2.83Å; L113-N117 PolarHBondContact O-N 3.5Å; L113-N117 PolarHBondContact O-ND2 2.88Å |
| 114 | A | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L74 Y77 T110 V111 G112 N117 F118 A173 | L74-A114 HydrophobicContact CD1-CB 4.48Å; Y77-A114 HydrophobicContact CD1-CB 4.01Å; Y77-A114 HydrophobicContact CE1-CB 3.52Å; Y77-A114 HydrophobicContact CE2-CB 4.34Å; T110-A114 PolarHBondContact O-N 3.31Å; V111-A114 WeakPolarHBondContact O-CB 3.14Å; V111-A114 PolarHBondContact O-N 3.05Å; G112-A114 VanDerWaalsContact C-N 3.32Å; G112-A114 PolarHBondContact O-N 2.78Å; A114-N117 CarbonylContact O-C 3.57Å; A114-F118 WeakPolarHBondContact O-CA 3.37Å; A114-F118 WeakPolarHBondContact O-CB 3.32Å; A114-F118 PolarHBondContact O-N 2.97Å; A114-A173 HydrophobicContact CB-CB 3.96Å |
| 115 | C | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.6 | -47.5 | 172.8 | -62.3 | 0 | 0 | 0 | 0 | 111.2 | V111 G112 L113 N117 F118 I161 M167 N170 | V111-C115 PolarHBondContact O-N 2.91Å; V111-C115 PolarHBondContact O-SG 3.3Å; G112-C115 WeakPolarHBondContact O-CB 3.47Å; G112-C115 PolarHBondContact O-N 3.21Å; L113-C115 VanDerWaalsContact C-N 3.34Å; C115-N117 PolarHBondContact O-N 2.86Å; C115-F118 PolarHBondContact O-N 3.24Å; C115-I161 HydrophobicContact CB-CG2 4.16Å; C115-M167 HydrophobicContact CB-CE 4.44Å; C115-M167 VanDerWaalsContact O-CE 3.26Å; C115-M167 WeakPolarHBondContact O-CE 3.28Å; C115-N170 WeakPolarHBondContact O-CB 3.48Å |
| 116 | L | 94.8 | Very high | 92.6 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 40% | 0.403 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.9 | -32.4 | -179.7 | -72.6 | 171.6 | 0 | 0 | 0 | 113 | G112 L113 F164 M167 | G112-L116 WeakPolarHBondContact O-CG 3.38Å; G112-L116 PolarHBondContact O-N 2.59Å; L113-L116 HydrophobicContact CD2-CD1 4.49Å; L113-L116 PolarHBondContact O-N 2.83Å; L116-F164 HydrophobicContact CD1-CD1 4.24Å; L116-F164 HydrophobicContact CD1-CE1 3.7Å; L116-F164 HydrophobicContact CD1-CZ 3.92Å; L116-F164 HydrophobicContact CD2-CD1 3.94Å; L116-F164 HydrophobicContact CD2-CE1 4.26Å; L116-F164 HydrophobicContact CD2-CG 4.28Å; L116-F164 HydrophobicContact CG-CD1 4.3Å; L116-F164 HydrophobicContact CG-CE1 4.2Å; L116-F164 HydrophobicContact CG-CZ 4.37Å; L116-M167 HydrophobicContact CD2-CE 4.09Å; L116-M167 HydrophobicContact CD2-SD 4.39Å |
| 117 | N | 95.3 | Very high | 92.6 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 18.3 | -176.5 | -61 | -87.1 | 0 | 0 | 0 | 112.6 | L74 L113 A114 C115 G119 F120 V121 | L74-N117 HydrophobicContact CD2-CB 4Å; L113-N117 PolarHBondContact O-N 3.5Å; L113-N117 PolarHBondContact O-ND2 2.88Å; A114-N117 CarbonylContact O-C 3.57Å; C115-N117 PolarHBondContact O-N 2.86Å; N117-G119 PolarHBondContact O-N 2.88Å; N117-F120 WeakPolarHBondContact O-CA 3.08Å; N117-F120 WeakPolarHBondContact O-CB 3.31Å; N117-F120 PolarHBondContact O-N 2.88Å; N117-V121 HydrophobicContact CB-CG1 4.11Å; N117-V121 WeakPolarHBondContact O-CG2 3.47Å; N117-V121 PolarHBondContact O-N 2.9Å |
| 118 | F | 96.1 | Very high | 92.8 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -46.3 | -165 | -169 | -100.6 | 0 | 0 | 0 | 113.2 | A114 C115 F120 V121 F122 Y129 N170 M172 A173 L176 V214 | A114-F118 WeakPolarHBondContact O-CA 3.37Å; A114-F118 WeakPolarHBondContact O-CB 3.32Å; A114-F118 PolarHBondContact O-N 2.97Å; C115-F118 PolarHBondContact O-N 3.24Å; F118-F120 VanDerWaalsContact C-N 3.27Å; F118-F120 PolarHBondContact O-N 3.23Å; F118-V121 PolarHBondContact O-N 3.23Å; F118-F122 HydrophobicContact CE1-CD2 4.12Å; F118-F122 HydrophobicContact CZ-CD2 4.27Å; F118-F122 WeakPolarHBondContact O-CB 3.46Å; F118-F122 PolarHBondContact O-N 3.44Å; F118-Y129 VanDerWaalsContact CE1-OH 3.32Å; F118-Y129 WeakPolarHBondContact CE1-OH 3.34Å; F118-Y129 WeakPolarHBondContact CZ-OH 3.2Å; F118-N170 HydrophobicContact CB-CB 3.58Å; F118-N170 HydrophobicContact CG-CB 4.3Å; F118-M172 HydrophobicContact CE1-CB 3.99Å; F118-M172 HydrophobicContact CE1-CG 4.46Å; F118-M172 HydrophobicContact CE2-CB 4.11Å; F118-M172 HydrophobicContact CE2-CG 4.4Å; F118-M172 HydrophobicContact CZ-CB 3.61Å; F118-M172 HydrophobicContact CZ-CG 3.78Å; F118-A173 HydrophobicContact CD2-CB 3.95Å; F118-A173 HydrophobicContact CE2-CB 4.14Å; F118-L176 HydrophobicContact CE2-CD1 4.22Å; F118-L176 HydrophobicContact CZ-CD1 4.46Å; F118-V214 HydrophobicContact CD1-CG2 3.92Å; F118-V214 HydrophobicContact CE1-CG2 4.09Å |
| 119 | G | 92.7 | Very high | 93.1 | Very high | 14 Ų | 14 | 49 Ų | 49 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.2 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N117 F212 | N117-G119 PolarHBondContact O-N 2.88Å; G119-F212 VanDerWaalsContact CA-O 3.22Å; G119-F212 WeakPolarHBondContact CA-O 3.3Å |
| 120 | F | 90.9 | Very high | 93.5 | Very high | 143 Ų | 143 | 47.2 Ų | 47.2 | 63% | 0.627 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -72.6 | -36.9 | 177.2 | -179.6 | -99.2 | 0 | 0 | 0 | 113.2 | N117 F118 | N117-F120 WeakPolarHBondContact O-CA 3.08Å; N117-F120 WeakPolarHBondContact O-CB 3.31Å; N117-F120 PolarHBondContact O-N 2.88Å; F118-F120 VanDerWaalsContact C-N 3.27Å; F118-F120 PolarHBondContact O-N 3.23Å |
| 121 | V | 91.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -93.9 | -1.3 | -177.3 | -54.2 | 0 | 0 | 0 | 0 | 113.9 | L74 M78 N117 F118 R123 | L74-V121 HydrophobicContact CD1-CG1 4.25Å; L74-V121 HydrophobicContact CD2-CG1 4.24Å; L74-V121 HydrophobicContact CG-CG1 4.39Å; M78-V121 HydrophobicContact CE-CB 4.29Å; M78-V121 HydrophobicContact CE-CG1 4.24Å; M78-V121 HydrophobicContact CG-CB 4.25Å; M78-V121 HydrophobicContact CG-CG1 4.21Å; M78-V121 HydrophobicContact SD-CB 4.09Å; M78-V121 HydrophobicContact SD-CG1 3.6Å; N117-V121 HydrophobicContact CB-CG1 4.11Å; N117-V121 WeakPolarHBondContact O-CG2 3.47Å; N117-V121 PolarHBondContact O-N 2.9Å; F118-V121 PolarHBondContact O-N 3.23Å; V121-R123 PolarHBondContact O-N 3.05Å |
| 122 | F | 91.1 | Very high | 93.9 | Very high | 90 Ų | 90 | 48.6 Ų | 48.6 | 40% | 0.395 | 23% | 0.228 | S | C | . | . | trans | -60.8 | 127.9 | 179.2 | 179.6 | -97.6 | 0 | 0 | 0 | 111 | F118 | F118-F122 HydrophobicContact CE1-CD2 4.12Å; F118-F122 HydrophobicContact CZ-CD2 4.27Å; F118-F122 WeakPolarHBondContact O-CB 3.46Å; F118-F122 PolarHBondContact O-N 3.44Å | ||
| 123 | R | 86.1 | Confident | 94.1 | Very high | 174 Ų | 174 | 55 Ų | 55 | 66% | 0.657 | 26% | 0.258 | S | S | * | . | trans | -133.2 | -45.5 | -178.8 | -70.9 | -171.8 | 179.3 | -139.4 | -2 | 114 | V121 | V121-R123 PolarHBondContact O-N 3.05Š| ||
| 124 | R | 87.7 | Confident | 94.3 | Very high | 126 Ų | 126 | 53.6 Ų | 53.6 | 48% | 0.475 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -141.9 | 137.9 | -176 | -163.9 | -176.9 | -175 | 147.2 | -2.1 | 110.7 | D85 R126 | D85-R124 PolarHBondContact O-NH1 3.11Å; D85-R124 WeakPolarHBondContact OD1-CD 3.48Å; R124-R126 PolarHBondContact O-N 2.87Å |
| 125 | P | 88.2 | Confident | 94.4 | Very high | 84 Ų | 84 | 57.5 Ų | 57.5 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | trans | -67.8 | 122.7 | 170.7 | 28.2 | -34 | 0 | 0 | 0 | 110.2 | ||||
| 126 | R | 90.9 | Very high | 94.5 | Very high | 42 Ų | 42 | 60.1 Ų | 60.1 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | trans | -122.8 | 10.1 | 177.6 | -76.7 | 172.2 | 169.5 | -140.7 | -15.8 | 113.5 | M81 Q84 D85 R124 L176 P195 | M81-R126 PolarHBondContact O-NH2 3.04Å; M81-R126 PolarHBondContact SD-NH1 3.11Å; M81-R126 VanDerWaalsContact SD-NH1 3.36Å; Q84-R126 VanDerWaalsContact CG-NH2 3.29Å; D85-R126 IonicContact OD1-CZ 3.86Å; D85-R126 IonicContact OD1-NE 2.96Å; D85-R126 PolarHBondContact OD1-NE 3.16Å; D85-R126 IonicContact OD1-NH2 3.88Å; D85-R126 PolarHBondContact OD1-NH2 3.19Å; D85-R126 IonicContact OD2-CZ 3.77Å; D85-R126 IonicContact OD2-NE 3.04Å; D85-R126 IonicContact OD2-NH2 2.81Å; R124-R126 PolarHBondContact O-N 2.87Å; R126-L176 HydrophobicContact CB-CD2 3.36Å; R126-L176 WeakPolarHBondContact O-CD2 3.39Å; R126-P195 WeakPolarHBondContact O-CG 3.39Å | ||
| 127 | G | 96.2 | Very high | 94.6 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -163.4 | -175.4 | 172 | 0 | 0 | 0 | 0 | 0 | 108 | W145 P195 | G127-W145 VanDerWaalsContact C-CZ3 3.5Å; G127-W145 VanDerWaalsContact CA-CH2 3.49Å; G127-P195 CarbonylContact C-O 3.53Å; G127-P195 WeakPolarHBondContact CA-O 3.44Å |
| 128 | I | 97.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.087 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142.3 | -173.8 | -161 | 165 | 0 | 0 | 0 | 110.4 | I130 L141 L142 W145 L194 P195 V196 M197 | I128-I130 HydrophobicContact CG2-CD1 4.39Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å; I128-L141 HydrophobicContact CD1-CD2 3.41Å; I128-L141 VanDerWaalsContact CD1-CD2 3.41Å; I128-L141 HydrophobicContact CG1-CD2 3.79Å; I128-L142 HydrophobicContact CD1-CD2 4.27Å; I128-W145 HydrophobicContact CB-CE3 4.28Å; I128-L194 HydrophobicContact CB-CD1 4.37Å; I128-L194 HydrophobicContact CG2-CD1 3.97Å; I128-L194 HydrophobicContact CG2-CD2 4.34Å; I128-L194 HydrophobicContact CG2-CG 4.35Å; I128-P195 PolarHBondContact N-O 3.2Å; I128-V196 HydrophobicContact CG2-CB 4.26Å; I128-V196 HydrophobicContact CG2-CG1 4.25Å; I128-V196 HydrophobicContact CG2-CG2 3.67Å; I128-V196 WeakPolarHBondContact O-CA 3.2Å; I128-M197 PolarHBondContact O-N 3.49Å |
| 129 | Y | 97.9 | Very high | 94.9 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 24% | 0.239 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.9 | 173.4 | -63.2 | -99.1 | 0 | 0 | 0 | 107.1 | F118 M172 M197 | F118-Y129 VanDerWaalsContact CE1-OH 3.32Å; F118-Y129 WeakPolarHBondContact CE1-OH 3.34Å; F118-Y129 WeakPolarHBondContact CZ-OH 3.2Å; Y129-M172 HydrophobicContact CE1-CB 4.06Å; Y129-M172 HydrophobicContact CE1-CG 3.98Å; Y129-M172 HydrophobicContact CE2-CE 4.44Å; Y129-M172 WeakPolarHBondContact OH-CG 3.26Å; Y129-M197 HydrophobicContact CD1-CB 3.53Å; Y129-M197 HydrophobicContact CD1-CG 3.76Å; Y129-M197 HydrophobicContact CE1-CB 3.86Å; Y129-M197 HydrophobicContact CE1-CG 4Å; Y129-M197 HydrophobicContact CG-CB 4.24Å |
| 130 | I | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 114.1 | 176.9 | -50.8 | 179 | 0 | 0 | 0 | 105.9 | I128 D134 I138 L141 L142 V196 M197 L198 D199 F229 V233 | I128-I130 HydrophobicContact CG2-CD1 4.39Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å; I130-D134 HydrophobicContact CG2-CB 4.5Å; I130-I138 HydrophobicContact CD1-CG2 4.18Å; I130-I138 HydrophobicContact CG2-CD1 3.98Å; I130-I138 HydrophobicContact CG2-CG1 3.99Å; I130-I138 HydrophobicContact CG2-CG2 4Å; I130-L141 HydrophobicContact CG1-CD2 3.92Å; I130-L142 HydrophobicContact CD1-CD2 4.1Å; I130-V196 HydrophobicContact CD1-CG1 3.83Å; I130-V196 HydrophobicContact CG1-CG1 4.14Å; I130-M197 PolarHBondContact N-O 3.44Å; I130-L198 HydrophobicContact CB-CD2 4.13Å; I130-L198 HydrophobicContact CD1-CD2 4.42Å; I130-L198 CarbonylContact O-C 3.57Å; I130-L198 WeakPolarHBondContact O-CA 3.45Å; I130-D199 PolarHBondContact O-N 3.41Å; I130-F229 HydrophobicContact CG2-CE2 3.96Å; I130-F229 HydrophobicContact CG2-CZ 4.01Å; I130-V233 HydrophobicContact CG2-CG2 4.3Å |
| 131 | T | 98.5 | Very high | 95.5 | Very high | 23 Ų | 23 | 60.7 Ų | 60.7 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 158.4 | -176.6 | 80.1 | 0 | 0 | 0 | 0 | 110.8 | Q133 D134 D199 L216 F229 | T131-Q133 PolarHBondContact O-N 3.25Å; T131-Q133 VanDerWaalsContact O-N 3.08Å; T131-Q133 PolarHBondContact OG1-N 3.5Å; T131-D134 WeakPolarHBondContact CA-OD2 3.41Å; T131-D134 VanDerWaalsContact CB-OD2 3.31Å; T131-D134 WeakPolarHBondContact CB-OD2 3.41Å; T131-D134 PolarHBondContact N-OD2 3.33Å; T131-D134 WeakPolarHBondContact O-CB 3.43Å; T131-D134 PolarHBondContact O-N 3.38Å; T131-D134 PolarHBondContact OG1-N 3.25Å; T131-D134 PolarHBondContact OG1-OD2 2.97Å; T131-D199 CarbonylContact C-O 3.58Å; T131-D199 WeakPolarHBondContact CA-O 3.33Å; T131-D199 HydrophobicContact CG2-CB 4.19Å; T131-L216 HydrophobicContact CG2-CD2 4.43Å; T131-L216 HydrophobicContact CG2-CG 4.35Å; T131-F229 WeakPolarHBondContact O-CE2 3.27Å |
| 132 | I | 98.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -58.5 | -21.6 | 172.4 | -166.4 | 60.9 | 0 | 0 | 0 | 112.9 | D134 K135 D199 V200 L216 A221 E225 F229 | I132-D134 VanDerWaalsContact C-N 3.31Å; I132-K135 WeakPolarHBondContact O-CB 3.2Å; I132-D199 PolarHBondContact N-O 2.93Å; I132-V200 HydrophobicContact CB-CB 4.42Å; I132-V200 HydrophobicContact CB-CG1 4.31Å; I132-V200 HydrophobicContact CD1-CG1 4.44Å; I132-L216 HydrophobicContact CG2-CD1 3.76Å; I132-A221 HydrophobicContact CD1-CB 4.35Å; I132-A221 HydrophobicContact CG1-CB 4.03Å; I132-E225 HydrophobicContact CD1-CG 4.36Å; I132-E225 HydrophobicContact CG1-CG 4.47Å; I132-F229 HydrophobicContact CD1-CB 3.23Å; I132-F229 HydrophobicContact CD1-CD1 3.87Å; I132-F229 HydrophobicContact CD1-CD2 3.7Å; I132-F229 HydrophobicContact CD1-CG 3.31Å |
| 133 | Q | 97.9 | Very high | 96.1 | Very high | 133 Ų | 133 | 61.5 Ų | 61.5 | 62% | 0.621 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -78.1 | -16.1 | 177.1 | -62.9 | -179.6 | -14.7 | 0 | 0 | 112.9 | T131 K135 L216 | T131-Q133 PolarHBondContact O-N 3.25Å; T131-Q133 VanDerWaalsContact O-N 3.08Å; T131-Q133 PolarHBondContact OG1-N 3.5Å; Q133-K135 PolarHBondContact O-N 3.47Å; Q133-L216 HydrophobicContact CG-CD1 4.37Å |
| 134 | D | 98.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 24% | 0.235 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -82.7 | -1 | 177.6 | -59.2 | -57.9 | 0 | 0 | 0 | 112.8 | I130 T131 I132 G136 H137 I138 L141 | I130-D134 HydrophobicContact CG2-CB 4.5Å; T131-D134 WeakPolarHBondContact CA-OD2 3.41Å; T131-D134 VanDerWaalsContact CB-OD2 3.31Å; T131-D134 WeakPolarHBondContact CB-OD2 3.41Å; T131-D134 PolarHBondContact N-OD2 3.33Å; T131-D134 WeakPolarHBondContact O-CB 3.43Å; T131-D134 PolarHBondContact O-N 3.38Å; T131-D134 PolarHBondContact OG1-N 3.25Å; T131-D134 PolarHBondContact OG1-OD2 2.97Å; I132-D134 VanDerWaalsContact C-N 3.31Å; D134-G136 PolarHBondContact O-N 3.12Å; D134-H137 CarbonylContact O-C 3.37Å; D134-H137 WeakPolarHBondContact O-CA 3.42Å; D134-H137 WeakPolarHBondContact O-CB 3.19Å; D134-H137 PolarHBondContact O-N 3.34Å; D134-I138 HydrophobicContact CB-CG1 4.41Å; D134-I138 WeakPolarHBondContact O-CG1 3.49Å; D134-I138 PolarHBondContact O-N 2.79Å; D134-L141 HydrophobicContact CB-CD1 3.85Å; D134-L141 VanDerWaalsContact CG-CD1 3.44Å |
| 135 | K | 97.8 | Very high | 97 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 130.8 | 176.9 | -167.3 | -175.6 | -179.8 | 179.5 | 0 | 110.6 | I132 Q133 S228 F229 E232 | I132-K135 WeakPolarHBondContact O-CB 3.2Å; Q133-K135 PolarHBondContact O-N 3.47Å; K135-S228 WeakPolarHBondContact CE-OG 3.25Å; K135-S228 VanDerWaalsContact NZ-CB 3.31Å; K135-S228 PolarHBondContact NZ-OG 3.32Å; K135-F229 HydrophobicContact CB-CD2 4.48Å; K135-E232 WeakPolarHBondContact CA-OE2 3.44Å; K135-E232 WeakPolarHBondContact CG-OE2 3.32Å |
| 136 | G | 98.3 | Very high | 97.1 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 56% | 0.557 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | -10.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D134 E232 | D134-G136 PolarHBondContact O-N 3.12Å; G136-E232 VanDerWaalsContact CA-OE1 3.27Å; G136-E232 WeakPolarHBondContact CA-OE1 3.37Å; G136-E232 PolarHBondContact N-OE1 3.17Å; G136-E232 PolarHBondContact N-OE2 3.01Å |
| 137 | H | 98.5 | Very high | 97.1 | Very high | 129 Ų | 129 | 56.2 Ų | 56.2 | 60% | 0.597 | 30% | 0.296 | S | S | * | . | trans | -132.6 | 5.4 | -173.6 | -58.5 | -60.7 | 0 | 0 | 0 | 113.8 | D134 F139 T140 L141 E232 | D134-H137 CarbonylContact O-C 3.37Å; D134-H137 WeakPolarHBondContact O-CA 3.42Å; D134-H137 WeakPolarHBondContact O-CB 3.19Å; D134-H137 PolarHBondContact O-N 3.34Å; H137-F139 PolarHBondContact O-N 3.03Å; H137-T140 WeakPolarHBondContact O-CB 3.2Å; H137-T140 PolarHBondContact O-N 3.35Å; H137-L141 PolarHBondContact O-N 2.96Å; H137-E232 PolarHBondContact N-OE1 2.76Å | ||
| 138 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -43.9 | -171 | -59.4 | 180 | 0 | 0 | 0 | 111.5 | I130 D134 T140 L141 L142 F229 E232 V233 | I130-I138 HydrophobicContact CD1-CG2 4.18Å; I130-I138 HydrophobicContact CG2-CD1 3.98Å; I130-I138 HydrophobicContact CG2-CG1 3.99Å; I130-I138 HydrophobicContact CG2-CG2 4Å; D134-I138 HydrophobicContact CB-CG1 4.41Å; D134-I138 WeakPolarHBondContact O-CG1 3.49Å; D134-I138 PolarHBondContact O-N 2.79Å; I138-T140 VanDerWaalsContact C-N 3.26Å; I138-T140 PolarHBondContact O-N 3.3Å; I138-L141 WeakPolarHBondContact O-CB 3.41Å; I138-L141 PolarHBondContact O-N 2.87Å; I138-L141 VanDerWaalsContact O-N 3.11Å; I138-L142 HydrophobicContact CG2-CG 4.47Å; I138-L142 WeakPolarHBondContact O-CG 3.5Å; I138-L142 PolarHBondContact O-N 2.68Å; I138-F229 HydrophobicContact CD1-CD2 3.84Å; I138-F229 HydrophobicContact CD1-CE2 3.66Å; I138-E232 HydrophobicContact CB-CG 4.21Å; I138-E232 HydrophobicContact CD1-CB 3.98Å; I138-E232 HydrophobicContact CD1-CG 3.85Å; I138-E232 HydrophobicContact CG1-CG 4.2Å; I138-E232 WeakPolarHBondContact CG1-OE1 3.45Å; I138-E232 PolarHBondContact N-OE1 2.86Å; I138-V233 HydrophobicContact CD1-CG2 3.63Å |
| 139 | F | 98.1 | Very high | 96.5 | Very high | 77 Ų | 77 | 65.8 Ų | 65.8 | 34% | 0.338 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58 | -37.8 | 176.3 | -174.2 | -89.7 | 0 | 0 | 0 | 113.1 | H137 K143 S236 A239 H240 | H137-F139 PolarHBondContact O-N 3.03Å; F139-K143 VanDerWaalsContact CE1-CE 3.49Å; F139-S236 PolarHBondContact N-OG 2.71Å; F139-A239 HydrophobicContact CD2-CB 4.1Å; F139-A239 HydrophobicContact CE2-CB 3.8Å; F139-H240 HydrophobicContact CD2-CB 4.08Å; F139-H240 HydrophobicContact CE2-CB 3.73Å; F139-H240 HydrophobicContact CZ-CB 4.41Å |
| 140 | T | 98.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 63 Ų | 63 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.6 | -40.8 | 176.5 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | H137 I138 L142 K143 | H137-T140 WeakPolarHBondContact O-CB 3.2Å; H137-T140 PolarHBondContact O-N 3.35Å; I138-T140 VanDerWaalsContact C-N 3.26Å; I138-T140 PolarHBondContact O-N 3.3Å; T140-L142 VanDerWaalsContact C-N 3.3Å; T140-L142 PolarHBondContact O-N 3.42Å; T140-K143 WeakPolarHBondContact O-CB 3.33Å; T140-K143 PolarHBondContact O-N 2.62Å |
| 141 | L | 97.8 | Very high | 96.4 | Very high | 26 Ų | 26 | 67.3 Ų | 67.3 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 176.9 | 179.3 | 156.2 | 0 | 0 | 0 | 111.7 | I128 I130 D134 H137 I138 K143 N144 | I128-L141 HydrophobicContact CD1-CD2 3.41Å; I128-L141 VanDerWaalsContact CD1-CD2 3.41Å; I128-L141 HydrophobicContact CG1-CD2 3.79Å; I130-L141 HydrophobicContact CG1-CD2 3.92Å; D134-L141 HydrophobicContact CB-CD1 3.85Å; D134-L141 VanDerWaalsContact CG-CD1 3.44Å; H137-L141 PolarHBondContact O-N 2.96Å; I138-L141 WeakPolarHBondContact O-CB 3.41Å; I138-L141 PolarHBondContact O-N 2.87Å; I138-L141 VanDerWaalsContact O-N 3.11Å; L141-K143 PolarHBondContact O-N 2.78Å; L141-N144 VanDerWaalsContact O-CB 3.29Å; L141-N144 WeakPolarHBondContact O-CB 3.26Å; L141-N144 PolarHBondContact O-N 2.92Å; L141-N144 PolarHBondContact O-ND2 2.86Å |
| 142 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.6 | -27.6 | 178.8 | -69.6 | 175.4 | 0 | 0 | 0 | 113.3 | I128 I130 I138 T140 N144 W145 S236 L237 H240 Y241 | I128-L142 HydrophobicContact CD1-CD2 4.27Å; I130-L142 HydrophobicContact CD1-CD2 4.1Å; I138-L142 HydrophobicContact CG2-CG 4.47Å; I138-L142 WeakPolarHBondContact O-CG 3.5Å; I138-L142 PolarHBondContact O-N 2.68Å; T140-L142 VanDerWaalsContact C-N 3.3Å; T140-L142 PolarHBondContact O-N 3.42Å; L142-N144 PolarHBondContact O-N 3.3Å; L142-W145 WeakPolarHBondContact O-CB 3.46Å; L142-W145 PolarHBondContact O-N 2.89Å; L142-W145 VanDerWaalsContact O-N 3.07Å; L142-S236 WeakPolarHBondContact CD1-O 3.33Å; L142-L237 HydrophobicContact CD1-CD2 3.93Å; L142-L237 HydrophobicContact CD1-CG 4.3Å; L142-L237 HydrophobicContact CD2-CD2 3.73Å; L142-H240 HydrophobicContact CD1-CB 4.09Å; L142-Y241 HydrophobicContact CD2-CE2 4.34Å; L142-Y241 PolarHBondContact O-OH 2.92Å |
| 143 | K | 96.5 | Very high | 96.5 | Very high | 122 Ų | 122 | 65.8 Ų | 65.8 | 53% | 0.53 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -14.5 | 176.7 | -59.8 | 176.9 | -178.4 | 174.9 | 0 | 113.6 | F139 T140 L141 | F139-K143 VanDerWaalsContact CE1-CE 3.49Å; T140-K143 WeakPolarHBondContact O-CB 3.33Å; T140-K143 PolarHBondContact O-N 2.62Å; L141-K143 PolarHBondContact O-N 2.78Å |
| 144 | N | 96.6 | Very high | 96.5 | Very high | 133 Ų | 133 | 59.5 Ų | 59.5 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15.8 | 173.8 | -64.4 | -38.7 | 0 | 0 | 0 | 112.4 | L141 L142 | L141-N144 VanDerWaalsContact O-CB 3.29Å; L141-N144 WeakPolarHBondContact O-CB 3.26Å; L141-N144 PolarHBondContact O-N 2.92Å; L141-N144 PolarHBondContact O-ND2 2.86Å; L142-N144 PolarHBondContact O-N 3.3Å |
| 145 | W | 95.8 | Very high | 96.5 | Very high | 53 Ų | 53 | 57.4 Ų | 57.4 | 20% | 0.201 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -73.8 | 130.5 | 177 | -168.2 | -108.2 | 0 | 0 | 0 | 110.7 | G127 I128 L142 A147 L194 | G127-W145 VanDerWaalsContact C-CZ3 3.5Å; G127-W145 VanDerWaalsContact CA-CH2 3.49Å; I128-W145 HydrophobicContact CB-CE3 4.28Å; L142-W145 WeakPolarHBondContact O-CB 3.46Å; L142-W145 PolarHBondContact O-N 2.89Å; L142-W145 VanDerWaalsContact O-N 3.07Å; W145-A147 VanDerWaalsContact C-N 3.28Å; W145-A147 PolarHBondContact O-N 2.83Å; W145-L194 HydrophobicContact CD2-CD1 3.51Å; W145-L194 VanDerWaalsContact CE2-CD1 3.4Å; W145-L194 HydrophobicContact CE3-CD1 3.92Å; W145-L194 HydrophobicContact CG-CD1 3.97Å; W145-L194 HydrophobicContact CH2-CD1 4.15Å; W145-L194 HydrophobicContact CZ2-CD1 3.74Å; W145-L194 HydrophobicContact CZ3-CD1 4.23Å |
| 146 | P | 91.9 | Very high | 96.6 | Very high | 113 Ų | 113 | 53.5 Ų | 53.5 | 73% | 0.734 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -77.1 | -6.5 | -168.5 | 30.2 | -37.7 | 0 | 0 | 0 | 115.2 | ||
| 147 | A | 91.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 12% | 0.124 | 26% | 0.264 | C | S | . | . | trans | -100.9 | 122 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | W145 T149 I150 N191 | W145-A147 VanDerWaalsContact C-N 3.28Å; W145-A147 PolarHBondContact O-N 2.83Å; A147-T149 VanDerWaalsContact C-N 3.29Å; A147-T149 PolarHBondContact O-N 3.23Å; A147-I150 HydrophobicContact CB-CD1 4.01Å; A147-N191 WeakPolarHBondContact CB-O 3.45Å | ||
| 148 | D | 87.2 | Confident | 96.5 | Very high | 157 Ų | 157 | 44.8 Ų | 44.8 | 84% | 0.84 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -71.6 | -23.2 | 179.9 | -57.4 | -46.7 | 0 | 0 | 0 | 113.2 | ||
| 149 | T | 93.2 | Very high | 96.5 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 40% | 0.399 | 24% | 0.242 | S | C | . | . | trans | -122.9 | 112.7 | -176.4 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | A147 K151 H192 | A147-T149 VanDerWaalsContact C-N 3.29Å; A147-T149 PolarHBondContact O-N 3.23Å; T149-K151 HydrophobicContact CG2-CD 4.33Å; T149-K151 HydrophobicContact CG2-CG 4.49Å; T149-H192 PolarHBondContact O-CD2 3.07Å; T149-H192 VanDerWaalsContact O-CD2 3.27Å | ||
| 150 | I | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | trans | -112.6 | 131.5 | 170.3 | -59.9 | -56.2 | 0 | 0 | 0 | 108.7 | A147 T152 V153 N191 L194 Y241 V245 | A147-I150 HydrophobicContact CB-CD1 4.01Å; I150-T152 WeakPolarHBondContact CG2-O 3.33Å; I150-V153 HydrophobicContact CG2-CG2 3.9Å; I150-N191 WeakPolarHBondContact CD1-O 3.37Å; I150-L194 HydrophobicContact CD1-CB 4.02Å; I150-L194 HydrophobicContact CG1-CB 4.22Å; I150-L194 HydrophobicContact CG1-CD2 4.45Å; I150-L194 HydrophobicContact CG2-CB 3.72Å; I150-Y241 HydrophobicContact CB-CD1 3.75Å; I150-Y241 HydrophobicContact CB-CD2 4Å; I150-Y241 HydrophobicContact CB-CE1 4.09Å; I150-Y241 HydrophobicContact CB-CE2 4.29Å; I150-Y241 HydrophobicContact CB-CG 3.7Å; I150-Y241 HydrophobicContact CG1-CD1 3.64Å; I150-Y241 HydrophobicContact CG1-CD2 4.18Å; I150-Y241 HydrophobicContact CG1-CE1 3.44Å; I150-Y241 VanDerWaalsContact CG1-CE1 3.44Å; I150-Y241 HydrophobicContact CG1-CE2 3.99Å; I150-Y241 HydrophobicContact CG1-CG 4.01Å; I150-Y241 HydrophobicContact CG2-CD2 4.41Å; I150-V245 HydrophobicContact CG2-CG2 4.07Å | ||
| 151 | K | 97.2 | Very high | 96.2 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 39% | 0.391 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -106.4 | -27.2 | 176.7 | -62.5 | -59.7 | -175.1 | -174.9 | 0 | 112.2 | T149 H192 C246 | T149-K151 HydrophobicContact CG2-CD 4.33Å; T149-K151 HydrophobicContact CG2-CG 4.49Å; K151-H192 HydrophobicContact CB-CB 4.04Å; K151-H192 HydrophobicContact CG-CB 3.91Å; K151-H192 PolarHBondContact N-O 2.73Å; K151-C246 PolarHBondContact O-N 3.06Å |
| 152 | T | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.1 | 177.2 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | I150 Y182 L188 H192 C193 L194 C246 V467 | I150-T152 WeakPolarHBondContact CG2-O 3.33Å; T152-Y182 HydrophobicContact CG2-CD2 3.5Å; T152-Y182 HydrophobicContact CG2-CE2 3.79Å; T152-Y182 HydrophobicContact CG2-CG 4.46Å; T152-L188 HydrophobicContact CG2-CD2 3.63Å; T152-H192 PolarHBondContact N-O 2.96Å; T152-H192 VanDerWaalsContact N-O 3.09Å; T152-C193 HydrophobicContact CG2-CB 4.1Å; T152-C193 WeakPolarHBondContact O-CA 3.36Å; T152-L194 PolarHBondContact O-N 2.76Å; T152-C246 CarbonylContact C-O 3.41Å; T152-C246 WeakPolarHBondContact CA-O 3.38Å; T152-C246 PolarHBondContact OG1-O 3.09Å; T152-V467 HydrophobicContact CG2-CG1 3.77Å; T152-V467 WeakPolarHBondContact OG1-CG1 3.15Å |
| 153 | V | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.1 | 171 | -178.3 | 0 | 0 | 0 | 0 | 107.4 | I150 M155 L194 V196 L237 V245 C246 L247 H248 | I150-V153 HydrophobicContact CG2-CG2 3.9Å; V153-M155 HydrophobicContact CB-CE 4.15Å; V153-M155 HydrophobicContact CG1-CE 3.47Å; V153-M155 VanDerWaalsContact CG1-CE 3.47Å; V153-L194 VanDerWaalsContact CA-O 3.3Å; V153-L194 WeakPolarHBondContact CA-O 3.48Å; V153-L194 HydrophobicContact CG2-CB 4.26Å; V153-L194 HydrophobicContact CG2-CD2 4.29Å; V153-V196 HydrophobicContact CG1-CB 4.18Å; V153-V196 HydrophobicContact CG1-CG2 3.38Å; V153-L237 HydrophobicContact CG1-CD1 4.13Å; V153-L237 HydrophobicContact CG2-CD1 4.4Å; V153-L237 HydrophobicContact CG2-CD2 4.09Å; V153-V245 HydrophobicContact CG2-CG2 3.74Å; V153-C246 PolarHBondContact N-O 3.2Å; V153-L247 HydrophobicContact CB-CD2 3.95Å; V153-L247 HydrophobicContact CG2-CD2 4.05Å; V153-H248 WeakPolarHBondContact O-CB 3.3Å; V153-H248 PolarHBondContact O-N 3.31Å |
| 154 | V | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.3 | 167.4 | 55.8 | 0 | 0 | 0 | 0 | 109.1 | P175 K178 A179 Y182 L194 V196 H248 | V154-P175 HydrophobicContact CB-CB 4.27Å; V154-P175 HydrophobicContact CG1-CB 3.7Å; V154-P175 WeakPolarHBondContact CG1-O 3.43Å; V154-P175 HydrophobicContact CG2-CB 4.05Å; V154-P175 WeakPolarHBondContact O-CB 3.39Å; V154-K178 HydrophobicContact CG1-CB 4.49Å; V154-K178 HydrophobicContact CG2-CB 4Å; V154-K178 HydrophobicContact CG2-CD 3.89Å; V154-A179 HydrophobicContact CG1-CB 4.14Å; V154-Y182 HydrophobicContact CB-CE2 4Å; V154-Y182 WeakPolarHBondContact CB-OH 3.42Å; V154-Y182 HydrophobicContact CG1-CE2 3.94Å; V154-Y182 WeakPolarHBondContact CG2-OH 3.39Å; V154-L194 PolarHBondContact N-O 2.86Å; V154-V196 PolarHBondContact O-N 2.92Å; V154-H248 WeakPolarHBondContact CA-O 3.22Å; V154-H248 HydrophobicContact CB-CB 4.31Å; V154-H248 HydrophobicContact CG2-CB 4.32Å |
| 155 | M | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.8 | -171.4 | 67.3 | -174.3 | 72.6 | 0 | 0 | 111.9 | V153 V196 L198 L237 L247 H248 F249 A250 F252 | V153-M155 HydrophobicContact CB-CE 4.15Å; V153-M155 HydrophobicContact CG1-CE 3.47Å; V153-M155 VanDerWaalsContact CG1-CE 3.47Å; M155-V196 VanDerWaalsContact CA-O 3.28Å; M155-V196 WeakPolarHBondContact CA-O 3.33Å; M155-V196 HydrophobicContact CB-CB 3.83Å; M155-V196 HydrophobicContact CB-CG1 4.24Å; M155-L198 HydrophobicContact CB-CD1 4.35Å; M155-L198 HydrophobicContact CB-CG 4.48Å; M155-L198 HydrophobicContact CG-CD1 4.34Å; M155-L198 HydrophobicContact SD-CD1 4Å; M155-L237 HydrophobicContact CE-CD1 3.47Å; M155-L237 VanDerWaalsContact CE-CD1 3.47Å; M155-L247 HydrophobicContact CE-CB 4.3Å; M155-L247 HydrophobicContact CE-CD2 4.02Å; M155-H248 PolarHBondContact N-O 2.8Å; M155-F249 HydrophobicContact CG-CD1 3.77Å; M155-F249 HydrophobicContact CG-CE1 4.05Å; M155-F249 HydrophobicContact SD-CD1 3.77Å; M155-F249 HydrophobicContact SD-CE1 3.39Å; M155-F249 WeakPolarHBondContact SD-CE1 3.36Å; M155-F249 HydrophobicContact SD-CZ 4.13Å; M155-A250 PolarHBondContact O-N 3.41Å; M155-F252 HydrophobicContact CG-CE2 4.38Å; M155-F252 HydrophobicContact CG-CZ 4.28Å; M155-F252 WeakPolarHBondContact O-CE2 3.32Å |
| 156 | T | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 148.5 | 170.9 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | G158 I161 P175 V196 M197 L198 A250 | T156-G158 PolarHBondContact OG1-N 3.47Å; T156-G158 VanDerWaalsContact OG1-N 3.1Å; T156-I161 HydrophobicContact CG2-CD1 4.39Å; T156-P175 HydrophobicContact CG2-CG 4.02Å; T156-V196 PolarHBondContact N-O 2.87Å; T156-M197 HydrophobicContact CG2-CE 4.13Å; T156-M197 HydrophobicContact CG2-SD 3.87Å; T156-M197 VanDerWaalsContact O-CE 3.24Å; T156-M197 WeakPolarHBondContact O-CE 3.14Å; T156-L198 WeakPolarHBondContact O-CB 3.05Å; T156-L198 PolarHBondContact O-N 3.37Å; T156-A250 VanDerWaalsContact CA-O 3.32Å; T156-A250 WeakPolarHBondContact CA-O 3.28Å; T156-A250 WeakPolarHBondContact CB-O 3.43Å; T156-A250 PolarHBondContact OG1-O 2.84Å |
| 157 | D | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -92.8 | -3 | 166.4 | 70.6 | 0.2 | 0 | 0 | 0 | 113.1 | E159 L198 R220 Y226 F252 | D157-E159 VanDerWaalsContact C-N 3.29Å; D157-E159 PolarHBondContact O-N 2.65Å; D157-E159 WeakPolarHBondContact OD1-CB 3.33Å; D157-E159 PolarHBondContact OD1-N 2.97Å; D157-L198 WeakPolarHBondContact CA-O 3.24Å; D157-L198 HydrophobicContact CB-CB 4.25Å; D157-R220 VanDerWaalsContact O-CZ 3.3Å; D157-R220 PolarHBondContact O-NH1 3Å; D157-R220 PolarHBondContact O-NH2 3.37Å; D157-Y226 HydrophobicContact CB-CE2 4.48Å; D157-Y226 PolarHBondContact OD2-OH 2.86Å; D157-F252 HydrophobicContact CB-CD1 4.06Å; D157-F252 HydrophobicContact CB-CE1 3.7Å; D157-F252 HydrophobicContact CB-CZ 4.33Å; D157-F252 VanDerWaalsContact OD2-CD1 3.3Å; D157-F252 WeakPolarHBondContact OD2-CD1 3.5Å | ||
| 158 | G | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 76.3 | 5.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T156 D166 M167 G168 R220 | T156-G158 PolarHBondContact OG1-N 3.47Å; T156-G158 VanDerWaalsContact OG1-N 3.1Å; G158-D166 WeakPolarHBondContact O-CA 3.16Å; G158-M167 PolarHBondContact O-N 2.9Å; G158-G168 PolarHBondContact O-N 3.21Å; G158-R220 VanDerWaalsContact C-NH2 3.29Å; G158-R220 PolarHBondContact O-NH2 2.85Å |
| 159 | E | 97.5 | Very high | 95.8 | Very high | 28 Ų | 28 | 22.7 Ų | 22.7 | 13% | 0.131 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -26 | -174 | -166 | -180 | -178.2 | 0 | 0 | 112.9 | D157 G165 D166 K253 N256 | D157-E159 VanDerWaalsContact C-N 3.29Å; D157-E159 PolarHBondContact O-N 2.65Å; D157-E159 WeakPolarHBondContact OD1-CB 3.33Å; D157-E159 PolarHBondContact OD1-N 2.97Å; E159-G165 CarbonylContact O-C 3.5Å; E159-G165 VanDerWaalsContact O-C 3.28Å; E159-D166 VanDerWaalsContact O-CA 3.28Å; E159-D166 WeakPolarHBondContact O-CA 3.32Å; E159-D166 PolarHBondContact O-N 2.89Å; E159-K253 HydrophobicContact CB-CB 4.27Å; E159-K253 HydrophobicContact CG-CB 4.02Å; E159-K253 HydrophobicContact CG-CD 4.15Å; E159-K253 WeakPolarHBondContact OE1-CD 3.24Å; E159-K253 IonicContact OE1-NZ 2.73Å; E159-K253 PolarHBondContact OE1-NZ 3.21Å; E159-K253 VanDerWaalsContact OE2-CB 3.23Å; E159-K253 WeakPolarHBondContact OE2-CB 2.94Å; E159-K253 WeakPolarHBondContact OE2-CD 3.42Å; E159-N256 PolarHBondContact OE2-ND2 3.21Å |
| 160 | R | 94.7 | Very high | 96 | Very high | 105 Ų | 105 | 19.7 Ų | 19.7 | 40% | 0.396 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -137 | 59.2 | -177.7 | -165 | -170.4 | 172.6 | 112 | 2.1 | 112 | L162 D251 N254 | R160-L162 PolarHBondContact O-N 3.26Å; R160-D251 CarbonylContact C-O 3.55Å; R160-D251 PolarHBondContact N-O 3.4Å; R160-D251 VanDerWaalsContact N-O 3.07Å; R160-D251 WeakPolarHBondContact O-CB 3.32Å; R160-N254 PolarHBondContact NH1-ND2 2.73Å; R160-N254 VanDerWaalsContact NH1-ND2 3.14Å; R160-N254 PolarHBondContact NH1-OD1 3.27Å |
| 161 | I | 94.7 | Very high | 96 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -70.5 | 113.6 | 178.1 | -59.9 | -49.5 | 0 | 0 | 0 | 110.8 | C115 T156 G163 F164 G165 M167 I174 D251 | C115-I161 HydrophobicContact CB-CG2 4.16Å; T156-I161 HydrophobicContact CG2-CD1 4.39Å; I161-G163 PolarHBondContact O-N 3.1Å; I161-F164 PolarHBondContact O-N 3.24Å; I161-G165 PolarHBondContact N-O 3.32Å; I161-G165 PolarHBondContact O-N 2.92Å; I161-M167 HydrophobicContact CB-CB 4.08Å; I161-M167 HydrophobicContact CB-CG 3.76Å; I161-M167 HydrophobicContact CG1-CB 3.71Å; I161-M167 HydrophobicContact CG1-CG 3.99Å; I161-M167 HydrophobicContact CG2-CG 4.2Å; I161-I174 HydrophobicContact CD1-CG1 4.09Å; I161-I174 HydrophobicContact CG2-CD1 4.3Å; I161-I174 HydrophobicContact CG2-CG1 4.02Å; I161-D251 WeakPolarHBondContact CA-OD2 3.46Å; I161-D251 HydrophobicContact CD1-CB 3.48Å; I161-D251 VanDerWaalsContact CD1-CB 3.48Å |
| 162 | L | 90.1 | Very high | 96 | Very high | 31 Ų | 31 | 15.3 Ų | 15.3 | 16% | 0.162 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | -122.1 | 178.3 | -56 | 175.7 | 0 | 0 | 0 | 112.4 | V111 R160 F164 I174 D251 N413 | V111-L162 HydrophobicContact CG1-CD1 4.19Å; R160-L162 PolarHBondContact O-N 3.26Å; L162-F164 HydrophobicContact CB-CD2 4.15Å; L162-F164 HydrophobicContact CB-CE2 4.37Å; L162-F164 HydrophobicContact CD1-CD2 4.49Å; L162-F164 HydrophobicContact CD1-CE2 4.16Å; L162-I174 HydrophobicContact CD1-CD1 4.12Å; L162-I174 HydrophobicContact CD2-CD1 4.19Å; L162-I174 HydrophobicContact CG-CD1 4Å; L162-D251 PolarHBondContact N-OD2 3.3Å; L162-N413 HydrophobicContact CD2-CB 4.26Å |
| 163 | G | 85.1 | Confident | 95.9 | Very high | 33 Ų | 33 | 15.3 Ų | 15.3 | 34% | 0.34 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 7.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I161 | I161-G163 PolarHBondContact O-N 3.1Š|
| 164 | F | 89.2 | Confident | 95.9 | Very high | 63 Ų | 63 | 15.4 Ų | 15.4 | 28% | 0.276 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -19.2 | -175.8 | -56.8 | -67.4 | 0 | 0 | 0 | 113.1 | L116 I161 L162 M167 Q414 | L116-F164 HydrophobicContact CD1-CD1 4.24Å; L116-F164 HydrophobicContact CD1-CE1 3.7Å; L116-F164 HydrophobicContact CD1-CZ 3.92Å; L116-F164 HydrophobicContact CD2-CD1 3.94Å; L116-F164 HydrophobicContact CD2-CE1 4.26Å; L116-F164 HydrophobicContact CD2-CG 4.28Å; L116-F164 HydrophobicContact CG-CD1 4.3Å; L116-F164 HydrophobicContact CG-CE1 4.2Å; L116-F164 HydrophobicContact CG-CZ 4.37Å; I161-F164 PolarHBondContact O-N 3.24Å; L162-F164 HydrophobicContact CB-CD2 4.15Å; L162-F164 HydrophobicContact CB-CE2 4.37Å; L162-F164 HydrophobicContact CD1-CD2 4.49Å; L162-F164 HydrophobicContact CD1-CE2 4.16Å; F164-M167 HydrophobicContact CB-CG 4.2Å; F164-M167 HydrophobicContact CB-SD 4.09Å; F164-Q414 HydrophobicContact CE2-CG 4.3Å; F164-Q414 VanDerWaalsContact CE2-NE2 3.34Å; F164-Q414 VanDerWaalsContact CZ-CD 3.43Å; F164-Q414 HydrophobicContact CZ-CG 4.04Å |
| 165 | G | 92.7 | Very high | 95.9 | Very high | 26 Ų | 26 | 15.4 Ų | 15.4 | 27% | 0.268 | 8% | 0.084 | S | C | . | . | B | Isolated β-bridge | trans | 83.5 | -138.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | E159 I161 M167 | E159-G165 CarbonylContact O-C 3.5Å; E159-G165 VanDerWaalsContact O-C 3.28Å; I161-G165 PolarHBondContact N-O 3.32Å; I161-G165 PolarHBondContact O-N 2.92Å; G165-M167 PolarHBondContact O-N 3.39Å |
| 166 | D | 97.1 | Very high | 95.8 | Very high | 24 Ų | 24 | 16.3 Ų | 16.3 | 13% | 0.128 | 9% | 0.089 | C | C | . | . | trans | -75.3 | 110.5 | -174.5 | -172.2 | -3.7 | 0 | 0 | 0 | 111.1 | G158 E159 G168 T202 N203 N204 R220 | G158-D166 WeakPolarHBondContact O-CA 3.16Å; E159-D166 VanDerWaalsContact O-CA 3.28Å; E159-D166 WeakPolarHBondContact O-CA 3.32Å; E159-D166 PolarHBondContact O-N 2.89Å; D166-G168 PolarHBondContact OD1-N 3.07Å; D166-T202 PolarHBondContact OD1-OG1 2.85Å; D166-T202 PolarHBondContact OD2-OG1 3.47Å; D166-N203 PolarHBondContact OD2-N 3.23Å; D166-N204 WeakPolarHBondContact O-CB 3.13Å; D166-N204 PolarHBondContact O-ND2 3.31Å; D166-R220 IonicContact OD1-CZ 2.7Å; D166-R220 IonicContact OD1-NE 3.27Å; D166-R220 PolarHBondContact OD1-NE 2.66Å; D166-R220 VanDerWaalsContact OD1-NE 3.08Å; D166-R220 IonicContact OD1-NH2 3.44Å; D166-R220 PolarHBondContact OD1-NH2 3.4Å; D166-R220 WeakPolarHBondContact OD2-CD 3.31Å; D166-R220 IonicContact OD2-CZ 2.71Å; D166-R220 IonicContact OD2-NE 2.81Å; D166-R220 PolarHBondContact OD2-NE 3.12Å | ||
| 167 | M | 97.5 | Very high | 95.7 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 4% | 0.044 | 9% | 0.09 | C | C | . | . | trans | -109.6 | 2.4 | 177.5 | -66.1 | -61.8 | -62.2 | 0 | 0 | 112.7 | C115 L116 G158 I161 F164 G165 A169 N170 L207 | C115-M167 HydrophobicContact CB-CE 4.44Å; C115-M167 VanDerWaalsContact O-CE 3.26Å; C115-M167 WeakPolarHBondContact O-CE 3.28Å; L116-M167 HydrophobicContact CD2-CE 4.09Å; L116-M167 HydrophobicContact CD2-SD 4.39Å; G158-M167 PolarHBondContact O-N 2.9Å; I161-M167 HydrophobicContact CB-CB 4.08Å; I161-M167 HydrophobicContact CB-CG 3.76Å; I161-M167 HydrophobicContact CG1-CB 3.71Å; I161-M167 HydrophobicContact CG1-CG 3.99Å; I161-M167 HydrophobicContact CG2-CG 4.2Å; F164-M167 HydrophobicContact CB-CG 4.2Å; F164-M167 HydrophobicContact CB-SD 4.09Å; G165-M167 PolarHBondContact O-N 3.39Å; M167-A169 PolarHBondContact O-N 3.49Å; M167-N170 HydrophobicContact CB-CB 4.36Å; M167-N170 HydrophobicContact CE-CB 4.15Å; M167-N170 VanDerWaalsContact O-CB 3.26Å; M167-N170 WeakPolarHBondContact O-CB 3.23Å; M167-N170 PolarHBondContact O-N 3.45Å; M167-L207 VanDerWaalsContact C-CD1 3.45Å; M167-L207 VanDerWaalsContact O-CD1 3.31Å; M167-L207 WeakPolarHBondContact O-CD1 3.08Å | ||
| 168 | G | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | 51.1 | -136.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G158 D166 N170 G171 M197 Y213 | G158-G168 PolarHBondContact O-N 3.21Å; D166-G168 PolarHBondContact OD1-N 3.07Å; G168-N170 PolarHBondContact O-N 3.24Å; G168-G171 PolarHBondContact O-N 2.91Å; G168-G171 VanDerWaalsContact O-N 3.12Å; G168-M197 WeakPolarHBondContact O-CE 3.48Å; G168-Y213 WeakPolarHBondContact CA-OH 3.16Å |
| 169 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -65.1 | -18.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | M167 G171 M172 M197 Y213 V214 G215 | M167-A169 PolarHBondContact O-N 3.49Å; A169-G171 PolarHBondContact O-N 3.05Å; A169-M172 WeakPolarHBondContact O-CB 3.18Å; A169-M172 PolarHBondContact O-N 2.83Å; A169-M172 VanDerWaalsContact O-N 3.15Å; A169-M197 HydrophobicContact CB-CG 4.29Å; A169-Y213 HydrophobicContact CB-CE2 4.35Å; A169-Y213 PolarHBondContact N-OH 2.97Å; A169-V214 HydrophobicContact CB-CG2 4.18Å; A169-G215 VanDerWaalsContact CB-CA 3.42Å |
| 170 | N | 97.5 | Very high | 95.7 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.011 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -66.4 | -16.7 | 175 | -68.7 | 3.9 | 0 | 0 | 0 | 112.1 | C115 F118 M167 G168 M172 | C115-N170 WeakPolarHBondContact O-CB 3.48Å; F118-N170 HydrophobicContact CB-CB 3.58Å; F118-N170 HydrophobicContact CG-CB 4.3Å; M167-N170 HydrophobicContact CB-CB 4.36Å; M167-N170 HydrophobicContact CE-CB 4.15Å; M167-N170 VanDerWaalsContact O-CB 3.26Å; M167-N170 WeakPolarHBondContact O-CB 3.23Å; M167-N170 PolarHBondContact O-N 3.45Å; G168-N170 PolarHBondContact O-N 3.24Å; N170-M172 PolarHBondContact O-N 2.9Å; N170-M172 VanDerWaalsContact O-N 3.15Å |
| 171 | G | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -61.1 | -14.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G168 A169 A173 I174 P175 | G168-G171 PolarHBondContact O-N 2.91Å; G168-G171 VanDerWaalsContact O-N 3.12Å; A169-G171 PolarHBondContact O-N 3.05Å; G171-A173 PolarHBondContact O-N 3.45Å; G171-I174 WeakPolarHBondContact O-CB 3.2Å; G171-I174 PolarHBondContact O-N 3.39Å; G171-P175 VanDerWaalsContact O-CD 3.32Å; G171-P175 WeakPolarHBondContact O-CD 3.41Å |
| 172 | M | 98 | Very high | 96 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -55.4 | -25.2 | -179.3 | -178.5 | 54.6 | 163.2 | 0 | 0 | 114.1 | F118 Y129 A169 N170 I174 P175 L176 P195 M197 | F118-M172 HydrophobicContact CE1-CB 3.99Å; F118-M172 HydrophobicContact CE1-CG 4.46Å; F118-M172 HydrophobicContact CE2-CB 4.11Å; F118-M172 HydrophobicContact CE2-CG 4.4Å; F118-M172 HydrophobicContact CZ-CB 3.61Å; F118-M172 HydrophobicContact CZ-CG 3.78Å; Y129-M172 HydrophobicContact CE1-CB 4.06Å; Y129-M172 HydrophobicContact CE1-CG 3.98Å; Y129-M172 HydrophobicContact CE2-CE 4.44Å; Y129-M172 WeakPolarHBondContact OH-CG 3.26Å; A169-M172 WeakPolarHBondContact O-CB 3.18Å; A169-M172 PolarHBondContact O-N 2.83Å; A169-M172 VanDerWaalsContact O-N 3.15Å; N170-M172 PolarHBondContact O-N 2.9Å; N170-M172 VanDerWaalsContact O-N 3.15Å; M172-I174 PolarHBondContact O-N 3.43Å; M172-P175 WeakPolarHBondContact O-CD 3.37Å; M172-P175 VanDerWaalsContact O-CG 3.26Å; M172-P175 WeakPolarHBondContact O-CG 3.48Å; M172-P175 HydrophobicContact SD-CG 3.61Å; M172-L176 HydrophobicContact CE-CD2 3.98Å; M172-L176 HydrophobicContact CE-CG 4.22Å; M172-L176 HydrophobicContact CG-CD1 4.06Å; M172-L176 HydrophobicContact CG-CG 4.13Å; M172-L176 VanDerWaalsContact O-CG 3.23Å; M172-L176 WeakPolarHBondContact O-CG 3.4Å; M172-L176 PolarHBondContact O-N 3.29Å; M172-L176 HydrophobicContact SD-CG 4.28Å; M172-P195 HydrophobicContact CE-CB 3.94Å; M172-P195 HydrophobicContact SD-CB 4.48Å; M172-M197 HydrophobicContact CB-CB 4.14Å; M172-M197 HydrophobicContact CB-CG 4.21Å; M172-M197 HydrophobicContact CB-SD 4.05Å; M172-M197 HydrophobicContact CG-CB 4.29Å; M172-M197 HydrophobicContact SD-CB 3.71Å |
| 173 | A | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.9 | -28.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | V111 A114 F118 G171 S177 | V111-A173 HydrophobicContact CG2-CB 4.07Å; A114-A173 HydrophobicContact CB-CB 3.96Å; F118-A173 HydrophobicContact CD2-CB 3.95Å; F118-A173 HydrophobicContact CE2-CB 4.14Å; G171-A173 PolarHBondContact O-N 3.45Å; A173-S177 VanDerWaalsContact O-CB 3.3Å; A173-S177 WeakPolarHBondContact O-CB 3.39Å; A173-S177 PolarHBondContact O-N 3.3Å; A173-S177 PolarHBondContact O-OG 2.84Å |
| 174 | I | 97.4 | Very high | 97 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -64.6 | -59.3 | 177.4 | -61.4 | -63.5 | 0 | 0 | 0 | 112.6 | V111 I161 L162 G171 M172 L176 S177 K178 A250 | V111-I174 HydrophobicContact CG1-CD1 4.15Å; V111-I174 HydrophobicContact CG2-CD1 3.87Å; I161-I174 HydrophobicContact CD1-CG1 4.09Å; I161-I174 HydrophobicContact CG2-CD1 4.3Å; I161-I174 HydrophobicContact CG2-CG1 4.02Å; L162-I174 HydrophobicContact CD1-CD1 4.12Å; L162-I174 HydrophobicContact CD2-CD1 4.19Å; L162-I174 HydrophobicContact CG-CD1 4Å; G171-I174 WeakPolarHBondContact O-CB 3.2Å; G171-I174 PolarHBondContact O-N 3.39Å; M172-I174 PolarHBondContact O-N 3.43Å; I174-L176 VanDerWaalsContact C-N 3.28Å; I174-L176 PolarHBondContact O-N 2.82Å; I174-S177 PolarHBondContact O-N 2.73Å; I174-S177 VanDerWaalsContact O-N 3.17Å; I174-K178 HydrophobicContact CG2-CD 4.09Å; I174-K178 PolarHBondContact O-N 3.5Å; I174-A250 HydrophobicContact CG2-CB 4.19Å |
| 175 | P | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62.2 | -34.6 | 178.1 | 24.8 | -35.8 | 0 | 0 | 0 | 112.3 | V154 T156 G171 M172 S177 K178 A179 P195 | V154-P175 HydrophobicContact CB-CB 4.27Å; V154-P175 HydrophobicContact CG1-CB 3.7Å; V154-P175 WeakPolarHBondContact CG1-O 3.43Å; V154-P175 HydrophobicContact CG2-CB 4.05Å; V154-P175 WeakPolarHBondContact O-CB 3.39Å; T156-P175 HydrophobicContact CG2-CG 4.02Å; G171-P175 VanDerWaalsContact O-CD 3.32Å; G171-P175 WeakPolarHBondContact O-CD 3.41Å; M172-P175 WeakPolarHBondContact O-CD 3.37Å; M172-P175 VanDerWaalsContact O-CG 3.26Å; M172-P175 WeakPolarHBondContact O-CG 3.48Å; M172-P175 HydrophobicContact SD-CG 3.61Å; P175-S177 PolarHBondContact O-N 3.04Å; P175-K178 PolarHBondContact O-N 3.39Å; P175-A179 WeakPolarHBondContact O-CB 3.47Å; P175-A179 PolarHBondContact O-N 3.08Å; P175-P195 HydrophobicContact CB-CB 3.97Å |
| 176 | L | 97.3 | Very high | 97.4 | Very high | 20 Ų | 20 | 4 Ų | 4 | 11% | 0.105 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -58.2 | -47.7 | 173 | -69.5 | 178.6 | 0 | 0 | 0 | 112 | F118 R126 M172 I174 A179 V180 P195 | F118-L176 HydrophobicContact CE2-CD1 4.22Å; F118-L176 HydrophobicContact CZ-CD1 4.46Å; R126-L176 HydrophobicContact CB-CD2 3.36Å; R126-L176 WeakPolarHBondContact O-CD2 3.39Å; M172-L176 HydrophobicContact CE-CD2 3.98Å; M172-L176 HydrophobicContact CE-CG 4.22Å; M172-L176 HydrophobicContact CG-CD1 4.06Å; M172-L176 HydrophobicContact CG-CG 4.13Å; M172-L176 VanDerWaalsContact O-CG 3.23Å; M172-L176 WeakPolarHBondContact O-CG 3.4Å; M172-L176 PolarHBondContact O-N 3.29Å; M172-L176 HydrophobicContact SD-CG 4.28Å; I174-L176 VanDerWaalsContact C-N 3.28Å; I174-L176 PolarHBondContact O-N 2.82Å; L176-A179 PolarHBondContact O-N 2.87Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 3.12Å; L176-P195 HydrophobicContact CD2-CB 3.83Å; L176-P195 HydrophobicContact CD2-CG 3.86Å; L176-P195 HydrophobicContact CG-CB 4.45Å |
| 177 | S | 96.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 2.9 Ų | 2.9 | 3% | 0.028 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -66.9 | -44 | -178.9 | -56 | 0 | 0 | 0 | 0 | 112.1 | I106 V111 A173 I174 P175 A179 V180 L181 | I106-S177 VanDerWaalsContact O-CB 3.27Å; I106-S177 WeakPolarHBondContact O-CB 3.2Å; I106-S177 PolarHBondContact O-OG 3.2Å; V111-S177 WeakPolarHBondContact CG2-OG 3.4Å; A173-S177 VanDerWaalsContact O-CB 3.3Å; A173-S177 WeakPolarHBondContact O-CB 3.39Å; A173-S177 PolarHBondContact O-N 3.3Å; A173-S177 PolarHBondContact O-OG 2.84Å; I174-S177 PolarHBondContact O-N 2.73Å; I174-S177 VanDerWaalsContact O-N 3.17Å; P175-S177 PolarHBondContact O-N 3.04Å; S177-A179 PolarHBondContact O-N 3.4Å; S177-V180 WeakPolarHBondContact O-CB 3.26Å; S177-V180 PolarHBondContact O-N 3.14Å; S177-L181 WeakPolarHBondContact O-CG 3.26Å; S177-L181 PolarHBondContact O-N 3.39Å; S177-L181 VanDerWaalsContact O-N 3.13Å |
| 178 | K | 98 | Very high | 97.2 | Very high | 3 Ų | 3 | 3 Ų | 3 | 1% | 0.013 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 178.5 | -72.7 | 179 | -177.3 | -78 | 0 | 111.7 | Y107 V154 I174 P175 V180 L181 Y182 A250 D273 F463 | Y107-K178 HydrophobicContact CE2-CG 4.23Å; Y107-K178 PolarHBondContact OH-NZ 3.23Å; Y107-K178 VanDerWaalsContact OH-NZ 3.16Å; V154-K178 HydrophobicContact CG1-CB 4.49Å; V154-K178 HydrophobicContact CG2-CB 4Å; V154-K178 HydrophobicContact CG2-CD 3.89Å; I174-K178 HydrophobicContact CG2-CD 4.09Å; I174-K178 PolarHBondContact O-N 3.5Å; P175-K178 PolarHBondContact O-N 3.39Å; K178-V180 PolarHBondContact O-N 3.29Å; K178-L181 CarbonylContact O-C 3.59Å; K178-L181 WeakPolarHBondContact O-CA 3.46Å; K178-L181 PolarHBondContact O-N 3.15Å; K178-Y182 HydrophobicContact CB-CE1 4.31Å; K178-Y182 WeakPolarHBondContact O-CD1 3.42Å; K178-Y182 WeakPolarHBondContact O-CE1 3.31Å; K178-Y182 PolarHBondContact O-N 3.47Å; K178-A250 HydrophobicContact CD-CB 4.08Å; K178-D273 IonicContact NZ-OD2 2.72Å; K178-D273 PolarHBondContact NZ-OD2 3.33Å; K178-F463 HydrophobicContact CB-CE2 4.41Å; K178-F463 HydrophobicContact CG-CE1 4.5Å; K178-F463 HydrophobicContact CG-CZ 4.21Å |
| 179 | A | 98 | Very high | 97 | Very high | 7 Ų | 7 | 5.8 Ų | 5.8 | 6% | 0.058 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V154 P175 L176 S177 L181 Y182 T183 C193 P195 | V154-A179 HydrophobicContact CG1-CB 4.14Å; P175-A179 WeakPolarHBondContact O-CB 3.47Å; P175-A179 PolarHBondContact O-N 3.08Å; L176-A179 PolarHBondContact O-N 2.87Å; S177-A179 PolarHBondContact O-N 3.4Å; A179-L181 PolarHBondContact O-N 3.42Å; A179-Y182 HydrophobicContact CB-CD2 4.43Å; A179-Y182 WeakPolarHBondContact O-CB 3.45Å; A179-Y182 PolarHBondContact O-N 3.28Å; A179-T183 PolarHBondContact O-N 3.45Å; A179-C193 HydrophobicContact CB-CB 4.09Å; A179-P195 HydrophobicContact CB-CG 3.68Å |
| 180 | V | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 6.6 Ų | 6.6 | 3% | 0.03 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -57 | -41.4 | 171.6 | 167 | 0 | 0 | 0 | 0 | 110.9 | F91 Y92 I95 I106 L176 S177 K178 T183 A184 | F91-V180 HydrophobicContact CE1-CB 4.5Å; F91-V180 HydrophobicContact CE1-CG1 3.67Å; F91-V180 HydrophobicContact CE1-CG2 4.03Å; F91-V180 HydrophobicContact CZ-CG1 3.66Å; F91-V180 HydrophobicContact CZ-CG2 4.01Å; Y92-V180 HydrophobicContact CE1-CG1 4.17Å; I95-V180 HydrophobicContact CD1-CG1 4.07Å; I106-V180 HydrophobicContact CD1-CG1 3.83Å; L176-V180 WeakPolarHBondContact O-CG2 3.42Å; L176-V180 PolarHBondContact O-N 3.12Å; S177-V180 WeakPolarHBondContact O-CB 3.26Å; S177-V180 PolarHBondContact O-N 3.14Å; K178-V180 PolarHBondContact O-N 3.29Å; V180-T183 PolarHBondContact O-N 3.39Å; V180-A184 VanDerWaalsContact O-CB 3.28Å; V180-A184 WeakPolarHBondContact O-CB 3.38Å; V180-A184 PolarHBondContact O-N 2.97Å |
| 181 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -72.8 | -25.5 | 179.8 | -65.8 | -177.3 | 0 | 0 | 0 | 113.6 | L103 I106 Y107 S177 K178 A179 T183 L185 G186 C460 F463 | L103-L181 HydrophobicContact CD1-CD1 4.06Å; L103-L181 HydrophobicContact CD1-CD2 3.63Å; I106-L181 HydrophobicContact CD1-CD2 3.78Å; I106-L181 HydrophobicContact CG1-CD2 4.39Å; Y107-L181 HydrophobicContact CD1-CD1 3.55Å; Y107-L181 HydrophobicContact CD2-CD1 4.09Å; Y107-L181 HydrophobicContact CE1-CD1 4.04Å; Y107-L181 HydrophobicContact CG-CD1 3.57Å; S177-L181 WeakPolarHBondContact O-CG 3.26Å; S177-L181 PolarHBondContact O-N 3.39Å; S177-L181 VanDerWaalsContact O-N 3.13Å; K178-L181 CarbonylContact O-C 3.59Å; K178-L181 WeakPolarHBondContact O-CA 3.46Å; K178-L181 PolarHBondContact O-N 3.15Å; A179-L181 PolarHBondContact O-N 3.42Å; L181-T183 VanDerWaalsContact C-N 3.29Å; L181-T183 PolarHBondContact O-N 2.86Å; L181-L185 HydrophobicContact CB-CD1 4.29Å; L181-L185 HydrophobicContact CB-CG 4.49Å; L181-L185 HydrophobicContact CD2-CD1 4.09Å; L181-L185 HydrophobicContact CD2-CG 4.18Å; L181-L185 WeakPolarHBondContact O-CA 3.35Å; L181-L185 VanDerWaalsContact O-CB 3.29Å; L181-L185 WeakPolarHBondContact O-CB 3.16Å; L181-L185 PolarHBondContact O-N 3.3Å; L181-G186 PolarHBondContact O-N 2.95Å; L181-C460 HydrophobicContact CD1-CB 4.39Å; L181-F463 HydrophobicContact CB-CE2 3.81Å; L181-F463 HydrophobicContact CB-CZ 3.71Å; L181-F463 HydrophobicContact CD1-CE1 4.42Å; L181-F463 HydrophobicContact CD1-CZ 3.63Å; L181-F463 HydrophobicContact CG-CZ 4.31Å |
| 182 | Y | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 169.7 | -57.6 | -20.7 | 0 | 0 | 0 | 111.5 | T152 V154 K178 A179 G186 G187 L188 C193 H248 F463 V467 | T152-Y182 HydrophobicContact CG2-CD2 3.5Å; T152-Y182 HydrophobicContact CG2-CE2 3.79Å; T152-Y182 HydrophobicContact CG2-CG 4.46Å; V154-Y182 HydrophobicContact CB-CE2 4Å; V154-Y182 WeakPolarHBondContact CB-OH 3.42Å; V154-Y182 HydrophobicContact CG1-CE2 3.94Å; V154-Y182 WeakPolarHBondContact CG2-OH 3.39Å; K178-Y182 HydrophobicContact CB-CE1 4.31Å; K178-Y182 WeakPolarHBondContact O-CD1 3.42Å; K178-Y182 WeakPolarHBondContact O-CE1 3.31Å; K178-Y182 PolarHBondContact O-N 3.47Å; A179-Y182 HydrophobicContact CB-CD2 4.43Å; A179-Y182 WeakPolarHBondContact O-CB 3.45Å; A179-Y182 PolarHBondContact O-N 3.28Å; Y182-G186 CarbonylContact O-C 3.58Å; Y182-G186 WeakPolarHBondContact O-CA 3.45Å; Y182-G186 PolarHBondContact O-N 3.37Å; Y182-G187 PolarHBondContact O-N 2.72Å; Y182-L188 PolarHBondContact O-N 2.81Å; Y182-L188 VanDerWaalsContact O-N 3.07Å; Y182-C193 HydrophobicContact CD2-CB 4.2Å; Y182-H248 AromaticContact CZ-ND1 3.75Å; Y182-H248 PolarHBondContact OH-CE1 3.09Å; Y182-H248 VanDerWaalsContact OH-CE1 3.28Å; Y182-H248 PolarHBondContact OH-ND1 2.78Å; Y182-F463 AromaticContact CD1-CD2 3.89Å; Y182-F463 HydrophobicContact CD1-CD2 3.89Å; Y182-F463 AromaticContact CD1-CE2 3.83Å; Y182-F463 HydrophobicContact CD1-CE2 3.83Å; Y182-F463 AromaticContact CE1-CD2 3.45Å; Y182-F463 HydrophobicContact CE1-CD2 3.45Å; Y182-F463 VanDerWaalsContact CE1-CD2 3.45Å; Y182-F463 AromaticContact CE1-CE2 3.63Å; Y182-F463 HydrophobicContact CE1-CE2 3.63Å; Y182-V467 HydrophobicContact CD1-CB 4.31Å; Y182-V467 HydrophobicContact CD1-CG1 4.28Å; Y182-V467 HydrophobicContact CD1-CG2 4.2Å; Y182-V467 HydrophobicContact CD2-CG1 4.24Å; Y182-V467 HydrophobicContact CE1-CB 4.32Å; Y182-V467 HydrophobicContact CE1-CG1 4.47Å; Y182-V467 HydrophobicContact CE1-CG2 3.71Å; Y182-V467 HydrophobicContact CE2-CG1 4.41Å; Y182-V467 HydrophobicContact CE2-CG2 4.45Å; Y182-V467 HydrophobicContact CG-CG1 4.19Å |
| 183 | T | 97.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -75.8 | -52.1 | 174.5 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | Y92 A179 V180 L181 L185 G187 L188 P190 Y550 | Y92-T183 HydrophobicContact CD1-CG2 3.59Å; Y92-T183 HydrophobicContact CD2-CG2 3.94Å; Y92-T183 HydrophobicContact CE1-CG2 3.4Å; Y92-T183 VanDerWaalsContact CE1-CG2 3.4Å; Y92-T183 HydrophobicContact CE2-CG2 3.77Å; Y92-T183 HydrophobicContact CG-CG2 3.87Å; Y92-T183 VanDerWaalsContact CZ-CG2 3.48Å; A179-T183 PolarHBondContact O-N 3.45Å; V180-T183 PolarHBondContact O-N 3.39Å; L181-T183 VanDerWaalsContact C-N 3.29Å; L181-T183 PolarHBondContact O-N 2.86Å; T183-L185 VanDerWaalsContact C-N 3.3Å; T183-L185 PolarHBondContact O-N 3.05Å; T183-G187 VanDerWaalsContact O-CA 3.27Å; T183-G187 WeakPolarHBondContact O-CA 3.36Å; T183-G187 PolarHBondContact O-N 3.24Å; T183-L188 VanDerWaalsContact CA-O 3.3Å; T183-L188 WeakPolarHBondContact CA-O 3.25Å; T183-L188 VanDerWaalsContact CB-O 3.24Å; T183-L188 WeakPolarHBondContact CB-O 3.22Å; T183-L188 VanDerWaalsContact CG2-O 3.28Å; T183-L188 WeakPolarHBondContact CG2-O 3.09Å; T183-L188 PolarHBondContact OG1-O 3.06Å; T183-P190 HydrophobicContact CG2-CG 3.82Å; T183-Y550 HydrophobicContact CG2-CD1 3.48Å; T183-Y550 VanDerWaalsContact CG2-CD1 3.48Å; T183-Y550 HydrophobicContact CG2-CE1 4.02Å; T183-Y550 HydrophobicContact CG2-CG 3.89Å |
| 184 | A | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.008 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66 | -30.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y92 I95 R96 V180 | Y92-A184 HydrophobicContact CD1-CB 4.16Å; Y92-A184 HydrophobicContact CE1-CB 4.39Å; I95-A184 HydrophobicContact CG2-CB 3.92Å; R96-A184 WeakPolarHBondContact CD-O 3.47Å; R96-A184 PolarHBondContact NH1-O 3.12Å; V180-A184 VanDerWaalsContact O-CB 3.28Å; V180-A184 WeakPolarHBondContact O-CB 3.38Å; V180-A184 PolarHBondContact O-N 2.97Å |
| 185 | L | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -44.9 | -179.5 | -54.2 | -177.9 | 0 | 0 | 0 | 112.1 | L99 L181 T183 C460 P464 L511 T515 | L99-L185 HydrophobicContact CD1-CD2 3.85Å; L99-L185 HydrophobicContact CD2-CD2 3.97Å; L181-L185 HydrophobicContact CB-CD1 4.29Å; L181-L185 HydrophobicContact CB-CG 4.49Å; L181-L185 HydrophobicContact CD2-CD1 4.09Å; L181-L185 HydrophobicContact CD2-CG 4.18Å; L181-L185 WeakPolarHBondContact O-CA 3.35Å; L181-L185 VanDerWaalsContact O-CB 3.29Å; L181-L185 WeakPolarHBondContact O-CB 3.16Å; L181-L185 PolarHBondContact O-N 3.3Å; T183-L185 VanDerWaalsContact C-N 3.3Å; T183-L185 PolarHBondContact O-N 3.05Å; L185-C460 HydrophobicContact CD1-CB 4.28Å; L185-P464 HydrophobicContact CB-CB 4Å; L185-P464 HydrophobicContact CB-CG 3.97Å; L185-P464 HydrophobicContact CD1-CG 3.97Å; L185-L511 HydrophobicContact CD1-CB 4.48Å; L185-L511 HydrophobicContact CD1-CD1 4.07Å; L185-L511 HydrophobicContact CD2-CB 3.88Å; L185-L511 HydrophobicContact CD2-CD1 4.25Å; L185-T515 WeakPolarHBondContact O-CB 3.07Å |
| 186 | G | 93.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 13 Ų | 13 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -6.9 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | L181 Y182 L188 N468 | L181-G186 PolarHBondContact O-N 2.95Å; Y182-G186 CarbonylContact O-C 3.58Å; Y182-G186 WeakPolarHBondContact O-CA 3.45Å; Y182-G186 PolarHBondContact O-N 3.37Å; G186-L188 PolarHBondContact O-N 3.41Å; G186-N468 PolarHBondContact O-ND2 3.41Å; G186-N468 VanDerWaalsContact O-ND2 3.14Å |
| 187 | G | 93.9 | Very high | 97 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | trans | 65.5 | 18.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y182 T183 Y549 Y550 | Y182-G187 PolarHBondContact O-N 2.72Å; T183-G187 VanDerWaalsContact O-CA 3.27Å; T183-G187 WeakPolarHBondContact O-CA 3.36Å; T183-G187 PolarHBondContact O-N 3.24Å; G187-Y549 CarbonylContact O-C 3.43Å; G187-Y549 WeakPolarHBondContact O-CA 3.33Å; G187-Y550 WeakPolarHBondContact O-CB 3.31Å; G187-Y550 PolarHBondContact O-N 3.22Å | ||
| 188 | L | 95.9 | Very high | 97.1 | Very high | 12 Ų | 12 | 11.9 Ų | 11.9 | 6% | 0.063 | 6% | 0.064 | C | C | . | . | trans | -66 | 147 | 173.7 | -83.3 | 76.9 | 0 | 0 | 0 | 110.5 | T152 Y182 T183 G186 V467 N468 | T152-L188 HydrophobicContact CG2-CD2 3.63Å; Y182-L188 PolarHBondContact O-N 2.81Å; Y182-L188 VanDerWaalsContact O-N 3.07Å; T183-L188 VanDerWaalsContact CA-O 3.3Å; T183-L188 WeakPolarHBondContact CA-O 3.25Å; T183-L188 VanDerWaalsContact CB-O 3.24Å; T183-L188 WeakPolarHBondContact CB-O 3.22Å; T183-L188 VanDerWaalsContact CG2-O 3.28Å; T183-L188 WeakPolarHBondContact CG2-O 3.09Å; T183-L188 PolarHBondContact OG1-O 3.06Å; G186-L188 PolarHBondContact O-N 3.41Å; L188-V467 HydrophobicContact CD2-CG1 3.58Å; L188-N468 HydrophobicContact CD1-CB 3.82Å | ||
| 189 | Q | 95.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 12 Ų | 12 | 27% | 0.271 | 7% | 0.065 | S | C | . | . | trans | -63.5 | 131.2 | 173.8 | -55.5 | -68 | -38.1 | 0 | 0 | 109.7 | N191 H192 C193 Y548 | Q189-N191 VanDerWaalsContact C-N 3.28Å; Q189-N191 VanDerWaalsContact CB-OD1 3.28Å; Q189-N191 WeakPolarHBondContact CB-OD1 2.99Å; Q189-N191 PolarHBondContact O-N 3.4Å; Q189-H192 HydrophobicContact CB-CB 4.17Å; Q189-H192 WeakPolarHBondContact O-CB 3.45Å; Q189-H192 PolarHBondContact O-N 3.03Å; Q189-C193 PolarHBondContact O-SG 3.5Å; Q189-C193 VanDerWaalsContact O-SG 3.35Å; Q189-Y548 PolarHBondContact NE2-O 2.91Å | ||
| 190 | P | 95.7 | Very high | 97.1 | Very high | 17 Ų | 17 | 11.7 Ų | 11.7 | 11% | 0.11 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -54.1 | -42.8 | -179.7 | -30.2 | 36.3 | 0 | 0 | 0 | 113.5 | E88 Y92 T183 H192 C193 Y550 | E88-P190 HydrophobicContact CG-CG 4.34Å; Y92-P190 HydrophobicContact CD2-CG 4.16Å; Y92-P190 HydrophobicContact CE2-CB 4.06Å; Y92-P190 HydrophobicContact CE2-CG 3.37Å; T183-P190 HydrophobicContact CG2-CG 3.82Å; P190-H192 PolarHBondContact O-N 2.87Å; P190-C193 PolarHBondContact O-N 3.21Å; P190-C193 VanDerWaalsContact O-N 3.14Å; P190-Y550 VanDerWaalsContact CD-CD2 3.42Å; P190-Y550 VanDerWaalsContact CD-CE2 3.44Å; P190-Y550 HydrophobicContact CG-CD2 4.21Å; P190-Y550 HydrophobicContact CG-CE1 4.31Å; P190-Y550 HydrophobicContact CG-CE2 3.83Å |
| 191 | N | 94.1 | Very high | 97.1 | Very high | 82 Ų | 82 | 11.5 Ų | 11.5 | 44% | 0.439 | 6% | 0.061 | S | C | . | . | G | 310 helix | trans | -71.7 | -7.5 | 179.2 | 67.7 | -28.4 | 0 | 0 | 0 | 114.1 | A147 I150 Q189 | A147-N191 WeakPolarHBondContact CB-O 3.45Å; I150-N191 WeakPolarHBondContact CD1-O 3.37Å; Q189-N191 VanDerWaalsContact C-N 3.28Å; Q189-N191 VanDerWaalsContact CB-OD1 3.28Å; Q189-N191 WeakPolarHBondContact CB-OD1 2.99Å; Q189-N191 PolarHBondContact O-N 3.4Å |
| 192 | H | 96.8 | Very high | 97.2 | Very high | 44 Ų | 44 | 11.5 Ų | 11.5 | 20% | 0.204 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -94.8 | -2.1 | 172.9 | -64.5 | 173.8 | 0 | 0 | 0 | 112.9 | T149 K151 T152 Q189 P190 | T149-H192 PolarHBondContact O-CD2 3.07Å; T149-H192 VanDerWaalsContact O-CD2 3.27Å; K151-H192 HydrophobicContact CB-CB 4.04Å; K151-H192 HydrophobicContact CG-CB 3.91Å; K151-H192 PolarHBondContact N-O 2.73Å; T152-H192 PolarHBondContact N-O 2.96Å; T152-H192 VanDerWaalsContact N-O 3.09Å; Q189-H192 HydrophobicContact CB-CB 4.17Å; Q189-H192 WeakPolarHBondContact O-CB 3.45Å; Q189-H192 PolarHBondContact O-N 3.03Å; P190-H192 PolarHBondContact O-N 2.87Å |
| 193 | C | 97.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 15 Ų | 15 | 5% | 0.047 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 118.8 | -178.1 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | T152 A179 Y182 Q189 P190 P195 | T152-C193 HydrophobicContact CG2-CB 4.1Å; T152-C193 WeakPolarHBondContact O-CA 3.36Å; A179-C193 HydrophobicContact CB-CB 4.09Å; Y182-C193 HydrophobicContact CD2-CB 4.2Å; Q189-C193 PolarHBondContact O-SG 3.5Å; Q189-C193 VanDerWaalsContact O-SG 3.35Å; P190-C193 PolarHBondContact O-N 3.21Å; P190-C193 VanDerWaalsContact O-N 3.14Å; C193-P195 WeakPolarHBondContact O-CD 3.42Å |
| 194 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 109 | 179.3 | 177.7 | 61.1 | 0 | 0 | 0 | 111 | I128 W145 I150 T152 V153 V154 V196 L237 Y241 | I128-L194 HydrophobicContact CB-CD1 4.37Å; I128-L194 HydrophobicContact CG2-CD1 3.97Å; I128-L194 HydrophobicContact CG2-CD2 4.34Å; I128-L194 HydrophobicContact CG2-CG 4.35Å; W145-L194 HydrophobicContact CD2-CD1 3.51Å; W145-L194 VanDerWaalsContact CE2-CD1 3.4Å; W145-L194 HydrophobicContact CE3-CD1 3.92Å; W145-L194 HydrophobicContact CG-CD1 3.97Å; W145-L194 HydrophobicContact CH2-CD1 4.15Å; W145-L194 HydrophobicContact CZ2-CD1 3.74Å; W145-L194 HydrophobicContact CZ3-CD1 4.23Å; I150-L194 HydrophobicContact CD1-CB 4.02Å; I150-L194 HydrophobicContact CG1-CB 4.22Å; I150-L194 HydrophobicContact CG1-CD2 4.45Å; I150-L194 HydrophobicContact CG2-CB 3.72Å; T152-L194 PolarHBondContact O-N 2.76Å; V153-L194 VanDerWaalsContact CA-O 3.3Å; V153-L194 WeakPolarHBondContact CA-O 3.48Å; V153-L194 HydrophobicContact CG2-CB 4.26Å; V153-L194 HydrophobicContact CG2-CD2 4.29Å; V154-L194 PolarHBondContact N-O 2.86Å; L194-V196 HydrophobicContact CD2-CG2 4.07Å; L194-V196 HydrophobicContact CG-CG2 3.87Å; L194-L237 HydrophobicContact CD2-CD2 4.3Å; L194-Y241 HydrophobicContact CD2-CE2 3.68Å |
| 195 | P | 98.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 132 | 166.1 | -17.6 | 33.5 | 0 | 0 | 0 | 110.5 | R126 G127 I128 M172 P175 L176 A179 C193 | R126-P195 WeakPolarHBondContact O-CG 3.39Å; G127-P195 CarbonylContact C-O 3.53Å; G127-P195 WeakPolarHBondContact CA-O 3.44Å; I128-P195 PolarHBondContact N-O 3.2Å; M172-P195 HydrophobicContact CE-CB 3.94Å; M172-P195 HydrophobicContact SD-CB 4.48Å; P175-P195 HydrophobicContact CB-CB 3.97Å; L176-P195 HydrophobicContact CD2-CB 3.83Å; L176-P195 HydrophobicContact CD2-CG 3.86Å; L176-P195 HydrophobicContact CG-CB 4.45Å; A179-P195 HydrophobicContact CB-CG 3.68Å; C193-P195 WeakPolarHBondContact O-CD 3.42Å |
| 196 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.2 | 179.2 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | I128 I130 V153 V154 M155 T156 L194 L198 | I128-V196 HydrophobicContact CG2-CB 4.26Å; I128-V196 HydrophobicContact CG2-CG1 4.25Å; I128-V196 HydrophobicContact CG2-CG2 3.67Å; I128-V196 WeakPolarHBondContact O-CA 3.2Å; I130-V196 HydrophobicContact CD1-CG1 3.83Å; I130-V196 HydrophobicContact CG1-CG1 4.14Å; V153-V196 HydrophobicContact CG1-CB 4.18Å; V153-V196 HydrophobicContact CG1-CG2 3.38Å; V154-V196 PolarHBondContact O-N 2.92Å; M155-V196 VanDerWaalsContact CA-O 3.28Å; M155-V196 WeakPolarHBondContact CA-O 3.33Å; M155-V196 HydrophobicContact CB-CB 3.83Å; M155-V196 HydrophobicContact CB-CG1 4.24Å; T156-V196 PolarHBondContact N-O 2.87Å; L194-V196 HydrophobicContact CD2-CG2 4.07Å; L194-V196 HydrophobicContact CG-CG2 3.87Å; V196-L198 HydrophobicContact CG1-CD2 3.53Å; V196-L198 HydrophobicContact CG1-CG 4.12Å |
| 197 | M | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.2 | 165.8 | -174.2 | 63.8 | -121.4 | 0 | 0 | 109.1 | I128 Y129 I130 T156 G168 A169 M172 | I128-M197 PolarHBondContact O-N 3.49Å; Y129-M197 HydrophobicContact CD1-CB 3.53Å; Y129-M197 HydrophobicContact CD1-CG 3.76Å; Y129-M197 HydrophobicContact CE1-CB 3.86Å; Y129-M197 HydrophobicContact CE1-CG 4Å; Y129-M197 HydrophobicContact CG-CB 4.24Å; I130-M197 PolarHBondContact N-O 3.44Å; T156-M197 HydrophobicContact CG2-CE 4.13Å; T156-M197 HydrophobicContact CG2-SD 3.87Å; T156-M197 VanDerWaalsContact O-CE 3.24Å; T156-M197 WeakPolarHBondContact O-CE 3.14Å; G168-M197 WeakPolarHBondContact O-CE 3.48Å; A169-M197 HydrophobicContact CB-CG 4.29Å; M172-M197 HydrophobicContact CB-CB 4.14Å; M172-M197 HydrophobicContact CB-CG 4.21Å; M172-M197 HydrophobicContact CB-SD 4.05Å; M172-M197 HydrophobicContact CG-CB 4.29Å; M172-M197 HydrophobicContact SD-CB 3.71Å |
| 198 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 93.7 | 173.9 | -56.6 | 178.6 | 0 | 0 | 0 | 109.4 | I130 M155 T156 D157 V196 V200 F229 M230 V233 F252 | I130-L198 HydrophobicContact CB-CD2 4.13Å; I130-L198 HydrophobicContact CD1-CD2 4.42Å; I130-L198 CarbonylContact O-C 3.57Å; I130-L198 WeakPolarHBondContact O-CA 3.45Å; M155-L198 HydrophobicContact CB-CD1 4.35Å; M155-L198 HydrophobicContact CB-CG 4.48Å; M155-L198 HydrophobicContact CG-CD1 4.34Å; M155-L198 HydrophobicContact SD-CD1 4Å; T156-L198 WeakPolarHBondContact O-CB 3.05Å; T156-L198 PolarHBondContact O-N 3.37Å; D157-L198 WeakPolarHBondContact CA-O 3.24Å; D157-L198 HydrophobicContact CB-CB 4.25Å; V196-L198 HydrophobicContact CG1-CD2 3.53Å; V196-L198 HydrophobicContact CG1-CG 4.12Å; L198-V200 PolarHBondContact O-N 3.27Å; L198-F229 HydrophobicContact CB-CE1 4.31Å; L198-F229 HydrophobicContact CD2-CE1 4.46Å; L198-F229 HydrophobicContact CD2-CZ 4.35Å; L198-M230 HydrophobicContact CD1-CE 3.55Å; L198-M230 HydrophobicContact CD1-SD 3.61Å; L198-V233 HydrophobicContact CD2-CG1 3.86Å; L198-V233 HydrophobicContact CD2-CG2 3.99Å; L198-F252 HydrophobicContact CD1-CE1 4.39Å; L198-F252 HydrophobicContact CD1-CZ 4.01Å |
| 199 | D | 98.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 94.1 | -176.9 | -169 | -5.4 | 0 | 0 | 0 | 111.3 | I130 T131 I132 G201 G215 L216 | I130-D199 PolarHBondContact O-N 3.41Å; T131-D199 CarbonylContact C-O 3.58Å; T131-D199 WeakPolarHBondContact CA-O 3.33Å; T131-D199 HydrophobicContact CG2-CB 4.19Å; I132-D199 PolarHBondContact N-O 2.93Å; D199-G201 PolarHBondContact OD1-N 2.92Å; D199-G215 WeakPolarHBondContact OD2-CA 3.41Å; D199-L216 PolarHBondContact OD2-N 2.97Å |
| 200 | V | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | trans | -99.6 | 18.2 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | I132 L198 R220 A221 Y226 F229 | I132-V200 HydrophobicContact CB-CB 4.42Å; I132-V200 HydrophobicContact CB-CG1 4.31Å; I132-V200 HydrophobicContact CD1-CG1 4.44Å; L198-V200 PolarHBondContact O-N 3.27Å; V200-R220 CarbonylContact O-C 3.58Å; V200-R220 VanDerWaalsContact O-CA 3.24Å; V200-R220 WeakPolarHBondContact O-CA 3.42Å; V200-A221 HydrophobicContact CB-CB 4.29Å; V200-A221 PolarHBondContact O-N 2.95Å; V200-Y226 HydrophobicContact CB-CD2 4.29Å; V200-Y226 HydrophobicContact CG1-CD2 4.01Å; V200-Y226 HydrophobicContact CG1-CE2 4.15Å; V200-Y226 HydrophobicContact CG2-CD2 3.97Å; V200-Y226 HydrophobicContact CG2-CE2 3.92Å; V200-F229 HydrophobicContact CG1-CD1 3.74Å; V200-F229 HydrophobicContact CG1-CE1 3.5Å; V200-F229 HydrophobicContact CG1-CZ 4.33Å | ||
| 201 | G | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | 93.2 | -177.9 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D199 R218 R220 | D199-G201 PolarHBondContact OD1-N 2.92Å; G201-R218 CarbonylContact C-O 3.58Å; G201-R218 WeakPolarHBondContact CA-O 3.46Å; G201-R220 VanDerWaalsContact O-CG 3.32Å; G201-R220 WeakPolarHBondContact O-CG 3.31Å; G201-R220 PolarHBondContact O-NE 3.4Å; G201-R220 PolarHBondContact O-NH1 3.43Å; G201-R220 VanDerWaalsContact O-NH1 3.12Å; G201-R220 PolarHBondContact O-NH2 3.15Å | ||
| 202 | T | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -141.7 | 143.9 | 174.5 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | D166 N204 L207 L208 Y213 R218 | D166-T202 PolarHBondContact OD1-OG1 2.85Å; D166-T202 PolarHBondContact OD2-OG1 3.47Å; T202-N204 WeakPolarHBondContact OG1-CB 3.2Å; T202-N204 PolarHBondContact OG1-N 3.18Å; T202-L207 HydrophobicContact CG2-CB 4.19Å; T202-L208 HydrophobicContact CG2-CD2 3.72Å; T202-L208 HydrophobicContact CG2-CG 3.93Å; T202-Y213 HydrophobicContact CG2-CE1 4.04Å; T202-R218 PolarHBondContact N-O 3.47Å; T202-R218 VanDerWaalsContact O-O 3.11Å | ||
| 203 | N | 98.1 | Very high | 97.7 | Very high | 74 Ų | 74 | 44.6 Ų | 44.6 | 40% | 0.396 | 21% | 0.212 | S | C | . | . | trans | -90.1 | -5.5 | 173.5 | -67.9 | -31.1 | 0 | 0 | 0 | 112.4 | D166 E205 K219 R220 | D166-N203 PolarHBondContact OD2-N 3.23Å; N203-E205 PolarHBondContact O-N 2.99Å; N203-K219 PolarHBondContact O-NZ 3.35Å; N203-R220 PolarHBondContact OD1-N 3.3Å; N203-R220 VanDerWaalsContact OD1-N 3.12Å | ||
| 204 | N | 97.7 | Very high | 97.6 | Very high | 43 Ų | 43 | 47.3 Ų | 47.3 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | trans | -76 | 102.9 | 178.8 | -173.1 | -17.3 | 0 | 0 | 0 | 111 | D166 T202 K206 L207 L208 | D166-N204 WeakPolarHBondContact O-CB 3.13Å; D166-N204 PolarHBondContact O-ND2 3.31Å; T202-N204 WeakPolarHBondContact OG1-CB 3.2Å; T202-N204 PolarHBondContact OG1-N 3.18Å; N204-K206 VanDerWaalsContact C-N 3.25Å; N204-K206 PolarHBondContact O-N 3.15Å; N204-K206 WeakPolarHBondContact OD1-CB 3.27Å; N204-K206 PolarHBondContact OD1-N 2.97Å; N204-L207 HydrophobicContact CB-CB 4.33Å; N204-L207 HydrophobicContact CB-CD1 4.1Å; N204-L207 HydrophobicContact CB-CG 4.22Å; N204-L207 PolarHBondContact O-N 3.24Å; N204-L207 VanDerWaalsContact O-N 3.1Å; N204-L208 PolarHBondContact O-N 2.89Å | ||
| 205 | E | 98 | Very high | 97.6 | Very high | 100 Ų | 100 | 47.9 Ų | 47.9 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57 | -38.1 | -178.3 | -59.5 | -64.8 | 179.7 | 0 | 0 | 112.9 | N203 L207 L208 E209 K219 | N203-E205 PolarHBondContact O-N 2.99Å; E205-L207 PolarHBondContact O-N 2.9Å; E205-L208 PolarHBondContact O-N 3.03Å; E205-L208 WeakPolarHBondContact OE2-CD1 3.37Å; E205-E209 WeakPolarHBondContact O-CB 3.49Å; E205-E209 WeakPolarHBondContact O-CG 3.35Å; E205-E209 PolarHBondContact O-N 2.93Å; E205-K219 WeakPolarHBondContact OE1-CE 3.3Å; E205-K219 IonicContact OE1-NZ 2.66Å; E205-K219 PolarHBondContact OE1-NZ 3.41Å; E205-K219 IonicContact OE2-NZ 3.17Å; E205-K219 PolarHBondContact OE2-NZ 3.33Å |
| 206 | K | 96.9 | Very high | 97.6 | Very high | 167 Ų | 167 | 48.9 Ų | 48.9 | 73% | 0.726 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.3 | -35.6 | 179.9 | -65.2 | -180 | 179 | -179.6 | 0 | 111.9 | N204 D210 | N204-K206 VanDerWaalsContact C-N 3.25Å; N204-K206 PolarHBondContact O-N 3.15Å; N204-K206 WeakPolarHBondContact OD1-CB 3.27Å; N204-K206 PolarHBondContact OD1-N 2.97Å; K206-D210 WeakPolarHBondContact O-CB 3.32Å; K206-D210 PolarHBondContact O-N 3.4Å |
| 207 | L | 97.4 | Very high | 97.5 | Very high | 13 Ų | 13 | 55 Ų | 55 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -76 | -35.5 | 176.1 | -67.7 | -179.4 | 0 | 0 | 0 | 112.1 | M167 T202 N204 E205 E209 D210 Y213 | M167-L207 VanDerWaalsContact C-CD1 3.45Å; M167-L207 VanDerWaalsContact O-CD1 3.31Å; M167-L207 WeakPolarHBondContact O-CD1 3.08Å; T202-L207 HydrophobicContact CG2-CB 4.19Å; N204-L207 HydrophobicContact CB-CB 4.33Å; N204-L207 HydrophobicContact CB-CD1 4.1Å; N204-L207 HydrophobicContact CB-CG 4.22Å; N204-L207 PolarHBondContact O-N 3.24Å; N204-L207 VanDerWaalsContact O-N 3.1Å; E205-L207 PolarHBondContact O-N 2.9Å; L207-E209 PolarHBondContact O-N 2.92Å; L207-D210 PolarHBondContact O-N 3.13Å; L207-Y213 HydrophobicContact CB-CD2 3.95Å; L207-Y213 HydrophobicContact CB-CE2 4.15Å; L207-Y213 HydrophobicContact CB-CG 4.25Å; L207-Y213 HydrophobicContact CD1-CD2 4.45Å; L207-Y213 HydrophobicContact CD1-CE2 4.16Å; L207-Y213 HydrophobicContact CD2-CD2 4.23Å; L207-Y213 HydrophobicContact CG-CD2 4.44Å; L207-Y213 WeakPolarHBondContact O-CB 3.24Å; L207-Y213 VanDerWaalsContact O-CG 3.31Å |
| 208 | L | 97.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 59.4 Ų | 59.4 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.9 | -32.3 | 175.5 | -66.3 | 174.4 | 0 | 0 | 0 | 112.1 | T202 N204 E205 R217 K219 | T202-L208 HydrophobicContact CG2-CD2 3.72Å; T202-L208 HydrophobicContact CG2-CG 3.93Å; N204-L208 PolarHBondContact O-N 2.89Å; E205-L208 PolarHBondContact O-N 3.03Å; E205-L208 WeakPolarHBondContact OE2-CD1 3.37Å; L208-R217 HydrophobicContact CD2-CB 4.49Å; L208-R217 PolarHBondContact O-NH1 2.52Å; L208-K219 HydrophobicContact CD1-CD 4.14Å |
| 209 | E | 97 | Very high | 97.4 | Very high | 151 Ų | 151 | 63.3 Ų | 63.3 | 71% | 0.706 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -84.5 | -20.4 | 176.9 | -67.4 | 169.8 | -178.9 | 0 | 0 | 113.5 | E205 L207 E211 | E205-E209 WeakPolarHBondContact O-CB 3.49Å; E205-E209 WeakPolarHBondContact O-CG 3.35Å; E205-E209 PolarHBondContact O-N 2.93Å; L207-E209 PolarHBondContact O-N 2.92Å; E209-E211 PolarHBondContact O-N 2.9Å |
| 210 | D | 96.6 | Very high | 97.4 | Very high | 53 Ų | 53 | 64.1 Ų | 64.1 | 28% | 0.283 | 30% | 0.298 | S | S | . | . | trans | -69.4 | 122.5 | -179.6 | -179.4 | 0.7 | 0 | 0 | 0 | 111.1 | K206 L207 F212 Y213 R217 | K206-D210 WeakPolarHBondContact O-CB 3.32Å; K206-D210 PolarHBondContact O-N 3.4Å; L207-D210 PolarHBondContact O-N 3.13Å; D210-F212 PolarHBondContact O-N 3.34Å; D210-F212 PolarHBondContact OD1-N 2.89Å; D210-Y213 WeakPolarHBondContact O-CB 3.33Å; D210-Y213 PolarHBondContact O-N 3.01Å; D210-R217 VanDerWaalsContact O-CZ 3.25Å; D210-R217 PolarHBondContact O-NH1 3.16Å; D210-R217 PolarHBondContact O-NH2 3.23Å | ||
| 211 | E | 95.8 | Very high | 97.3 | Very high | 161 Ų | 161 | 64.5 Ų | 64.5 | 75% | 0.752 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -34.1 | 177.7 | -173.5 | 176.7 | -178.2 | 0 | 0 | 112.2 | E209 R217 | E209-E211 PolarHBondContact O-N 2.9Å; E211-R217 PolarHBondContact O-NH2 3.18Å |
| 212 | F | 95.7 | Very high | 97.2 | Very high | 115 Ų | 115 | 68.7 Ų | 68.7 | 50% | 0.504 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -0.6 | -178 | -59.1 | -63 | 0 | 0 | 0 | 113.9 | G119 D210 V214 | G119-F212 VanDerWaalsContact CA-O 3.22Å; G119-F212 WeakPolarHBondContact CA-O 3.3Å; D210-F212 PolarHBondContact O-N 3.34Å; D210-F212 PolarHBondContact OD1-N 2.89Å; F212-V214 PolarHBondContact O-N 2.9Å |
| 213 | Y | 97.3 | Very high | 97.1 | Very high | 10 Ų | 10 | 71.1 Ų | 71.1 | 4% | 0.039 | 36% | 0.356 | C | S | . | . | trans | -62.7 | 124.6 | 177.2 | -177.6 | -117 | 0 | 0 | 0 | 111.2 | G168 A169 T202 L207 D210 G215 R217 | G168-Y213 WeakPolarHBondContact CA-OH 3.16Å; A169-Y213 HydrophobicContact CB-CE2 4.35Å; A169-Y213 PolarHBondContact N-OH 2.97Å; T202-Y213 HydrophobicContact CG2-CE1 4.04Å; L207-Y213 HydrophobicContact CB-CD2 3.95Å; L207-Y213 HydrophobicContact CB-CE2 4.15Å; L207-Y213 HydrophobicContact CB-CG 4.25Å; L207-Y213 HydrophobicContact CD1-CD2 4.45Å; L207-Y213 HydrophobicContact CD1-CE2 4.16Å; L207-Y213 HydrophobicContact CD2-CD2 4.23Å; L207-Y213 HydrophobicContact CG-CD2 4.44Å; L207-Y213 WeakPolarHBondContact O-CB 3.24Å; L207-Y213 VanDerWaalsContact O-CG 3.31Å; D210-Y213 WeakPolarHBondContact O-CB 3.33Å; D210-Y213 PolarHBondContact O-N 3.01Å; Y213-G215 VanDerWaalsContact CE1-C 3.44Å; Y213-G215 WeakPolarHBondContact CE1-O 3.27Å; Y213-R217 HydrophobicContact CD1-CG 4.42Å; Y213-R217 PolarHBondContact O-NH2 3.01Å | ||
| 214 | V | 95.1 | Very high | 97 | Very high | 65 Ų | 65 | 75.9 Ų | 75.9 | 39% | 0.394 | 38% | 0.375 | S | S | . | . | trans | -92.5 | -8.7 | -172.2 | -63.2 | 0 | 0 | 0 | 0 | 113.9 | F118 A169 F212 | F118-V214 HydrophobicContact CD1-CG2 3.92Å; F118-V214 HydrophobicContact CE1-CG2 4.09Å; A169-V214 HydrophobicContact CB-CG2 4.18Å; F212-V214 PolarHBondContact O-N 2.9Å | ||
| 215 | G | 97.5 | Very high | 97 | Very high | 11 Ų | 11 | 78 Ų | 78 | 11% | 0.113 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -92.9 | -177.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A169 D199 Y213 R217 | A169-G215 VanDerWaalsContact CB-CA 3.42Å; D199-G215 WeakPolarHBondContact OD2-CA 3.41Å; Y213-G215 VanDerWaalsContact CE1-C 3.44Å; Y213-G215 WeakPolarHBondContact CE1-O 3.27Å; G215-R217 PolarHBondContact O-N 3.27Å |
| 216 | L | 98.1 | Very high | 97 | Very high | 27 Ų | 27 | 73.3 Ų | 73.3 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | trans | -61.1 | 122.7 | 174.8 | -68.6 | -176.1 | 0 | 0 | 0 | 110.7 | T131 I132 Q133 D199 R218 | T131-L216 HydrophobicContact CG2-CD2 4.43Å; T131-L216 HydrophobicContact CG2-CG 4.35Å; I132-L216 HydrophobicContact CG2-CD1 3.76Å; Q133-L216 HydrophobicContact CG-CD1 4.37Å; D199-L216 PolarHBondContact OD2-N 2.97Å; L216-R218 HydrophobicContact CB-CG 4.07Å; L216-R218 PolarHBondContact O-N 2.97Å | ||
| 217 | R | 97.5 | Very high | 97.1 | Very high | 129 Ų | 129 | 66.3 Ų | 66.3 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -79.3 | 62.4 | 175.2 | -64.2 | -174.3 | -177.2 | -90.9 | -3.5 | 111.7 | L208 D210 E211 Y213 G215 | L208-R217 HydrophobicContact CD2-CB 4.49Å; L208-R217 PolarHBondContact O-NH1 2.52Å; D210-R217 VanDerWaalsContact O-CZ 3.25Å; D210-R217 PolarHBondContact O-NH1 3.16Å; D210-R217 PolarHBondContact O-NH2 3.23Å; E211-R217 PolarHBondContact O-NH2 3.18Å; Y213-R217 HydrophobicContact CD1-CG 4.42Å; Y213-R217 PolarHBondContact O-NH2 3.01Å; G215-R217 PolarHBondContact O-N 3.27Å |
| 218 | R | 97.8 | Very high | 97.1 | Very high | 91 Ų | 91 | 68 Ų | 68 | 34% | 0.343 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -146.9 | 161 | 175.4 | 67.1 | 177.2 | -72.6 | -171.5 | -2.5 | 111.8 | G201 T202 L216 E225 | G201-R218 CarbonylContact C-O 3.58Å; G201-R218 WeakPolarHBondContact CA-O 3.46Å; T202-R218 PolarHBondContact N-O 3.47Å; T202-R218 VanDerWaalsContact O-O 3.11Å; L216-R218 HydrophobicContact CB-CG 4.07Å; L216-R218 PolarHBondContact O-N 2.97Å; R218-E225 IonicContact NH2-OE1 3.14Å |
| 219 | K | 98.3 | Very high | 97.1 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 153.5 | 167.7 | -63.6 | -58.7 | -178.5 | -166 | 0 | 112.1 | N203 E205 L208 | N203-K219 PolarHBondContact O-NZ 3.35Å; E205-K219 WeakPolarHBondContact OE1-CE 3.3Å; E205-K219 IonicContact OE1-NZ 2.66Å; E205-K219 PolarHBondContact OE1-NZ 3.41Å; E205-K219 IonicContact OE2-NZ 3.17Å; E205-K219 PolarHBondContact OE2-NZ 3.33Å; L208-K219 HydrophobicContact CD1-CD 4.14Å |
| 220 | R | 97.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 9% | 0.087 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 135.4 | -176.2 | -74.8 | -169.3 | 165 | -77.7 | -3.4 | 112.6 | D157 G158 D166 V200 G201 N203 | D157-R220 VanDerWaalsContact O-CZ 3.3Å; D157-R220 PolarHBondContact O-NH1 3Å; D157-R220 PolarHBondContact O-NH2 3.37Å; G158-R220 VanDerWaalsContact C-NH2 3.29Å; G158-R220 PolarHBondContact O-NH2 2.85Å; D166-R220 IonicContact OD1-CZ 2.7Å; D166-R220 IonicContact OD1-NE 3.27Å; D166-R220 PolarHBondContact OD1-NE 2.66Å; D166-R220 VanDerWaalsContact OD1-NE 3.08Å; D166-R220 IonicContact OD1-NH2 3.44Å; D166-R220 PolarHBondContact OD1-NH2 3.4Å; D166-R220 WeakPolarHBondContact OD2-CD 3.31Å; D166-R220 IonicContact OD2-CZ 2.71Å; D166-R220 IonicContact OD2-NE 2.81Å; D166-R220 PolarHBondContact OD2-NE 3.12Å; V200-R220 CarbonylContact O-C 3.58Å; V200-R220 VanDerWaalsContact O-CA 3.24Å; V200-R220 WeakPolarHBondContact O-CA 3.42Å; G201-R220 VanDerWaalsContact O-CG 3.32Å; G201-R220 WeakPolarHBondContact O-CG 3.31Å; G201-R220 PolarHBondContact O-NE 3.4Å; G201-R220 PolarHBondContact O-NH1 3.43Å; G201-R220 VanDerWaalsContact O-NH1 3.12Å; G201-R220 PolarHBondContact O-NH2 3.15Å; N203-R220 PolarHBondContact OD1-N 3.3Å; N203-R220 VanDerWaalsContact OD1-N 3.12Å |
| 221 | A | 97.3 | Very high | 97.3 | Very high | 8 Ų | 8 | 58.7 Ų | 58.7 | 7% | 0.066 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 147.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110 | I132 V200 E225 | I132-A221 HydrophobicContact CD1-CB 4.35Å; I132-A221 HydrophobicContact CG1-CB 4.03Å; V200-A221 HydrophobicContact CB-CB 4.29Å; V200-A221 PolarHBondContact O-N 2.95Å; A221-E225 HydrophobicContact CB-CG 4.33Å |
| 222 | S | 95.5 | Very high | 97.5 | Very high | 89 Ų | 89 | 53 Ų | 53 | 62% | 0.622 | 27% | 0.274 | S | S | * | . | trans | -149.5 | 175.6 | 179.6 | 64.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 223 | G | 95.4 | Very high | 97.6 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 53% | 0.526 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | 62.5 | -142.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E225 Y226 I227 | G223-E225 VanDerWaalsContact C-N 3.34Å; G223-E225 PolarHBondContact O-N 3.41Å; G223-Y226 PolarHBondContact O-N 2.83Å; G223-I227 WeakPolarHBondContact O-CG1 3.49Å; G223-I227 PolarHBondContact O-N 3.45Å; G223-I227 VanDerWaalsContact O-N 3.09Å |
| 224 | E | 96.8 | Very high | 97.7 | Very high | 173 Ų | 173 | 47.1 Ų | 47.1 | 81% | 0.808 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.4 | -34.5 | -174.5 | -168.4 | 179.9 | -173.4 | 0 | 0 | 113.2 | Y226 I227 S228 | E224-Y226 VanDerWaalsContact C-N 3.34Å; E224-Y226 PolarHBondContact O-N 2.91Å; E224-I227 PolarHBondContact O-N 3.29Å; E224-S228 VanDerWaalsContact O-CB 3.22Å; E224-S228 WeakPolarHBondContact O-CB 3.43Å; E224-S228 PolarHBondContact O-N 2.75Å |
| 225 | E | 97.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 41% | 0.407 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 176.1 | -175.7 | -172.2 | -169.4 | 0 | 0 | 110.6 | I132 R218 A221 G223 F229 | I132-E225 HydrophobicContact CD1-CG 4.36Å; I132-E225 HydrophobicContact CG1-CG 4.47Å; R218-E225 IonicContact NH2-OE1 3.14Å; A221-E225 HydrophobicContact CB-CG 4.33Å; G223-E225 VanDerWaalsContact C-N 3.34Å; G223-E225 PolarHBondContact O-N 3.41Å; E225-F229 WeakPolarHBondContact O-CB 3.41Å; E225-F229 PolarHBondContact O-N 3.14Å; E225-F229 VanDerWaalsContact O-N 3.11Å |
| 226 | Y | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.5 | -47.5 | 178.1 | 175.4 | -91.3 | 0 | 0 | 0 | 111.9 | D157 V200 G223 E224 S228 F229 M230 F252 N256 L260 | D157-Y226 HydrophobicContact CB-CE2 4.48Å; D157-Y226 PolarHBondContact OD2-OH 2.86Å; V200-Y226 HydrophobicContact CB-CD2 4.29Å; V200-Y226 HydrophobicContact CG1-CD2 4.01Å; V200-Y226 HydrophobicContact CG1-CE2 4.15Å; V200-Y226 HydrophobicContact CG2-CD2 3.97Å; V200-Y226 HydrophobicContact CG2-CE2 3.92Å; G223-Y226 PolarHBondContact O-N 2.83Å; E224-Y226 VanDerWaalsContact C-N 3.34Å; E224-Y226 PolarHBondContact O-N 2.91Å; Y226-S228 PolarHBondContact O-N 3.1Å; Y226-F229 WeakPolarHBondContact O-CB 3.47Å; Y226-F229 PolarHBondContact O-N 2.95Å; Y226-M230 HydrophobicContact CD1-CG 4.1Å; Y226-M230 HydrophobicContact CE1-CG 3.73Å; Y226-M230 HydrophobicContact CE2-CG 4.38Å; Y226-M230 HydrophobicContact CE2-SD 4.45Å; Y226-M230 WeakPolarHBondContact O-CG 3.45Å; Y226-M230 PolarHBondContact O-N 3.38Å; Y226-F252 WeakPolarHBondContact OH-CD1 3.49Å; Y226-F252 WeakPolarHBondContact OH-CE1 3.32Å; Y226-N256 HydrophobicContact CE1-CB 4.09Å; Y226-L260 HydrophobicContact CE1-CD1 4.16Å; Y226-L260 HydrophobicContact CE1-CD2 4.41Å |
| 227 | I | 98.3 | Very high | 97.9 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | -178.6 | -64.4 | -62.2 | 0 | 0 | 0 | 111.5 | G223 E224 F229 M230 D231 Q259 L260 | G223-I227 WeakPolarHBondContact O-CG1 3.49Å; G223-I227 PolarHBondContact O-N 3.45Å; G223-I227 VanDerWaalsContact O-N 3.09Å; E224-I227 PolarHBondContact O-N 3.29Å; I227-F229 VanDerWaalsContact C-N 3.28Å; I227-F229 PolarHBondContact O-N 3.02Å; I227-M230 PolarHBondContact O-N 3.34Å; I227-D231 PolarHBondContact O-N 3.5Å; I227-Q259 HydrophobicContact CD1-CG 4.24Å; I227-L260 HydrophobicContact CD1-CD2 4.07Å |
| 228 | S | 98.3 | Very high | 97.9 | Very high | 47 Ų | 47 | 41.9 Ų | 41.9 | 33% | 0.329 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.3 | -32.4 | 177.8 | 174.1 | 0 | 0 | 0 | 0 | 112.4 | K135 E224 Y226 E232 | K135-S228 WeakPolarHBondContact CE-OG 3.25Å; K135-S228 VanDerWaalsContact NZ-CB 3.31Å; K135-S228 PolarHBondContact NZ-OG 3.32Å; E224-S228 VanDerWaalsContact O-CB 3.22Å; E224-S228 WeakPolarHBondContact O-CB 3.43Å; E224-S228 PolarHBondContact O-N 2.75Å; Y226-S228 PolarHBondContact O-N 3.1Å; S228-E232 PolarHBondContact O-N 3.28Å |
| 229 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67 | -46.1 | 170.4 | 165.2 | -103.7 | 0 | 0 | 0 | 112.4 | I130 T131 I132 K135 I138 L198 V200 E225 Y226 I227 D231 E232 V233 | I130-F229 HydrophobicContact CG2-CE2 3.96Å; I130-F229 HydrophobicContact CG2-CZ 4.01Å; T131-F229 WeakPolarHBondContact O-CE2 3.27Å; I132-F229 HydrophobicContact CD1-CB 3.23Å; I132-F229 HydrophobicContact CD1-CD1 3.87Å; I132-F229 HydrophobicContact CD1-CD2 3.7Å; I132-F229 HydrophobicContact CD1-CG 3.31Å; K135-F229 HydrophobicContact CB-CD2 4.48Å; I138-F229 HydrophobicContact CD1-CD2 3.84Å; I138-F229 HydrophobicContact CD1-CE2 3.66Å; L198-F229 HydrophobicContact CB-CE1 4.31Å; L198-F229 HydrophobicContact CD2-CE1 4.46Å; L198-F229 HydrophobicContact CD2-CZ 4.35Å; V200-F229 HydrophobicContact CG1-CD1 3.74Å; V200-F229 HydrophobicContact CG1-CE1 3.5Å; V200-F229 HydrophobicContact CG1-CZ 4.33Å; E225-F229 WeakPolarHBondContact O-CB 3.41Å; E225-F229 PolarHBondContact O-N 3.14Å; E225-F229 VanDerWaalsContact O-N 3.11Å; Y226-F229 WeakPolarHBondContact O-CB 3.47Å; Y226-F229 PolarHBondContact O-N 2.95Å; I227-F229 VanDerWaalsContact C-N 3.28Å; I227-F229 PolarHBondContact O-N 3.02Å; F229-D231 VanDerWaalsContact C-N 3.26Å; F229-D231 PolarHBondContact O-N 3.04Å; F229-E232 PolarHBondContact O-N 3.34Å; F229-E232 VanDerWaalsContact O-N 3.15Å; F229-V233 HydrophobicContact CD1-CG2 4.34Å; F229-V233 HydrophobicContact CD2-CG2 4.27Å; F229-V233 HydrophobicContact CE1-CG2 3.92Å; F229-V233 HydrophobicContact CE2-CG2 3.84Å; F229-V233 HydrophobicContact CZ-CG2 3.66Å; F229-V233 WeakPolarHBondContact O-CG2 3.25Å; F229-V233 PolarHBondContact O-N 3.36Å |
| 230 | M | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -37.1 | 177.5 | -69.7 | -56.9 | -51.8 | 0 | 0 | 112.2 | L198 Y226 I227 V233 V234 F249 F252 L260 Y264 | L198-M230 HydrophobicContact CD1-CE 3.55Å; L198-M230 HydrophobicContact CD1-SD 3.61Å; Y226-M230 HydrophobicContact CD1-CG 4.1Å; Y226-M230 HydrophobicContact CE1-CG 3.73Å; Y226-M230 HydrophobicContact CE2-CG 4.38Å; Y226-M230 HydrophobicContact CE2-SD 4.45Å; Y226-M230 WeakPolarHBondContact O-CG 3.45Å; Y226-M230 PolarHBondContact O-N 3.38Å; I227-M230 PolarHBondContact O-N 3.34Å; M230-V233 PolarHBondContact O-N 3.46Å; M230-V234 WeakPolarHBondContact O-CG2 3.38Å; M230-V234 PolarHBondContact O-N 2.72Å; M230-F249 HydrophobicContact CE-CE1 3.88Å; M230-F252 HydrophobicContact CE-CE1 4.36Å; M230-L260 HydrophobicContact CB-CD2 3.76Å; M230-L260 HydrophobicContact CE-CD1 4.08Å; M230-L260 HydrophobicContact CE-CD2 4.42Å; M230-L260 HydrophobicContact CG-CD1 4.38Å; M230-L260 HydrophobicContact CG-CD2 3.8Å; M230-Y264 VanDerWaalsContact CB-OH 3.27Å; M230-Y264 WeakPolarHBondContact CB-OH 3.49Å; M230-Y264 PolarHBondContact O-OH 3.2Å |
| 231 | D | 98.6 | Very high | 97.8 | Very high | 40 Ų | 40 | 40 Ų | 40 | 21% | 0.214 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.8 | -47.2 | 174.4 | -71.6 | -17.1 | 0 | 0 | 0 | 111.5 | I227 F229 V233 V234 E235 R263 Y264 | I227-D231 PolarHBondContact O-N 3.5Å; F229-D231 VanDerWaalsContact C-N 3.26Å; F229-D231 PolarHBondContact O-N 3.04Å; D231-V233 VanDerWaalsContact C-N 3.33Å; D231-V233 PolarHBondContact O-N 3.38Å; D231-V234 PolarHBondContact O-N 3.23Å; D231-E235 WeakPolarHBondContact O-CB 3.17Å; D231-E235 VanDerWaalsContact O-CG 3.29Å; D231-E235 WeakPolarHBondContact O-CG 3.25Å; D231-E235 PolarHBondContact O-N 2.99Å; D231-R263 IonicContact OD1-CZ 2.85Å; D231-R263 IonicContact OD1-NE 3.59Å; D231-R263 PolarHBondContact OD1-NE 3.1Å; D231-R263 IonicContact OD1-NH2 2.82Å; D231-R263 IonicContact OD2-CZ 3.88Å; D231-R263 IonicContact OD2-NE 3.08Å; D231-R263 PolarHBondContact OD2-NE 3Å; D231-R263 IonicContact OD2-NH2 3.38Å; D231-R263 PolarHBondContact OD2-NH2 2.95Å; D231-Y264 PolarHBondContact N-OH 3.25Å; D231-Y264 VanDerWaalsContact N-OH 3.12Å; D231-Y264 WeakPolarHBondContact OD1-CE1 3.18Å; D231-Y264 PolarHBondContact OD1-OH 2.81Å |
| 232 | E | 98.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 20% | 0.196 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 177.1 | -170 | -173.4 | 161.5 | 0 | 0 | 112 | K135 G136 H137 I138 S228 F229 S236 | K135-E232 WeakPolarHBondContact CA-OE2 3.44Å; K135-E232 WeakPolarHBondContact CG-OE2 3.32Å; G136-E232 VanDerWaalsContact CA-OE1 3.27Å; G136-E232 WeakPolarHBondContact CA-OE1 3.37Å; G136-E232 PolarHBondContact N-OE1 3.17Å; G136-E232 PolarHBondContact N-OE2 3.01Å; H137-E232 PolarHBondContact N-OE1 2.76Å; I138-E232 HydrophobicContact CB-CG 4.21Å; I138-E232 HydrophobicContact CD1-CB 3.98Å; I138-E232 HydrophobicContact CD1-CG 3.85Å; I138-E232 HydrophobicContact CG1-CG 4.2Å; I138-E232 WeakPolarHBondContact CG1-OE1 3.45Å; I138-E232 PolarHBondContact N-OE1 2.86Å; S228-E232 PolarHBondContact O-N 3.28Å; F229-E232 PolarHBondContact O-N 3.34Å; F229-E232 VanDerWaalsContact O-N 3.15Å; E232-S236 WeakPolarHBondContact O-CB 3.47Å; E232-S236 PolarHBondContact O-N 2.89Å; E232-S236 PolarHBondContact O-OG 3.26Å |
| 233 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -54.5 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | I130 I138 L198 F229 M230 D231 S236 L237 | I130-V233 HydrophobicContact CG2-CG2 4.3Å; I138-V233 HydrophobicContact CD1-CG2 3.63Å; L198-V233 HydrophobicContact CD2-CG1 3.86Å; L198-V233 HydrophobicContact CD2-CG2 3.99Å; F229-V233 HydrophobicContact CD1-CG2 4.34Å; F229-V233 HydrophobicContact CD2-CG2 4.27Å; F229-V233 HydrophobicContact CE1-CG2 3.92Å; F229-V233 HydrophobicContact CE2-CG2 3.84Å; F229-V233 HydrophobicContact CZ-CG2 3.66Å; F229-V233 WeakPolarHBondContact O-CG2 3.25Å; F229-V233 PolarHBondContact O-N 3.36Å; M230-V233 PolarHBondContact O-N 3.46Å; D231-V233 VanDerWaalsContact C-N 3.33Å; D231-V233 PolarHBondContact O-N 3.38Å; V233-S236 PolarHBondContact O-N 3.22Å; V233-L237 HydrophobicContact CG1-CD1 3.93Å; V233-L237 WeakPolarHBondContact O-CB 3.43Å; V233-L237 VanDerWaalsContact O-CG 3.27Å; V233-L237 WeakPolarHBondContact O-CG 3.36Å; V233-L237 PolarHBondContact O-N 3.37Å |
| 234 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.7 | -46.4 | -175.2 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | M230 D231 S236 L237 S238 L247 F249 Y264 H268 | M230-V234 WeakPolarHBondContact O-CG2 3.38Å; M230-V234 PolarHBondContact O-N 2.72Å; D231-V234 PolarHBondContact O-N 3.23Å; V234-S236 PolarHBondContact O-N 3.37Å; V234-L237 PolarHBondContact O-N 2.77Å; V234-S238 PolarHBondContact O-N 3.31Å; V234-S238 PolarHBondContact O-OG 3.37Å; V234-L247 HydrophobicContact CB-CD1 4.37Å; V234-L247 HydrophobicContact CG1-CD1 3.71Å; V234-L247 HydrophobicContact CG2-CD1 4.18Å; V234-F249 HydrophobicContact CG2-CZ 4.13Å; V234-Y264 HydrophobicContact CB-CD1 4.13Å; V234-Y264 HydrophobicContact CB-CE1 3.96Å; V234-Y264 HydrophobicContact CG1-CD1 3.72Å; V234-Y264 HydrophobicContact CG1-CE1 4.04Å; V234-Y264 HydrophobicContact CG1-CG 4.07Å; V234-Y264 HydrophobicContact CG2-CD1 4.19Å; V234-Y264 HydrophobicContact CG2-CD2 3.88Å; V234-Y264 HydrophobicContact CG2-CE1 4.02Å; V234-Y264 HydrophobicContact CG2-CE2 3.67Å; V234-Y264 HydrophobicContact CG2-CG 4.15Å; V234-H268 WeakPolarHBondContact CG1-NE2 3.44Å |
| 235 | E | 98.5 | Very high | 97.6 | Very high | 103 Ų | 103 | 33.7 Ų | 33.7 | 48% | 0.481 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 178.4 | -65.6 | -54.6 | 142.4 | 0 | 0 | 111.8 | D231 S238 A239 H268 | D231-E235 WeakPolarHBondContact O-CB 3.17Å; D231-E235 VanDerWaalsContact O-CG 3.29Å; D231-E235 WeakPolarHBondContact O-CG 3.25Å; D231-E235 PolarHBondContact O-N 2.99Å; E235-S238 PolarHBondContact O-N 3.14Å; E235-A239 WeakPolarHBondContact O-CB 3.33Å; E235-A239 PolarHBondContact O-N 3.15Å; E235-H268 IonicContact OE1-CE1 3.99Å; E235-H268 PolarHBondContact OE1-CE1 2.66Å; E235-H268 IonicContact OE1-NE2 2.73Å; E235-H268 PolarHBondContact OE1-NE2 2.99Å; E235-H268 IonicContact OE2-CE1 3.11Å; E235-H268 IonicContact OE2-NE2 2.72Å |
| 236 | S | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 29.5 Ų | 29.5 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -41.3 | 176.1 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | F139 L142 E232 V233 V234 A239 H240 | F139-S236 PolarHBondContact N-OG 2.71Å; L142-S236 WeakPolarHBondContact CD1-O 3.33Å; E232-S236 WeakPolarHBondContact O-CB 3.47Å; E232-S236 PolarHBondContact O-N 2.89Å; E232-S236 PolarHBondContact O-OG 3.26Å; V233-S236 PolarHBondContact O-N 3.22Å; V234-S236 PolarHBondContact O-N 3.37Å; S236-A239 PolarHBondContact O-N 3.21Å; S236-H240 WeakPolarHBondContact O-CB 3.39Å; S236-H240 PolarHBondContact O-N 3.13Å |
| 237 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -48 | 176.5 | -74.7 | 170.6 | 0 | 0 | 0 | 111.4 | L142 V153 M155 L194 V233 V234 H240 Y241 L247 | L142-L237 HydrophobicContact CD1-CD2 3.93Å; L142-L237 HydrophobicContact CD1-CG 4.3Å; L142-L237 HydrophobicContact CD2-CD2 3.73Å; V153-L237 HydrophobicContact CG1-CD1 4.13Å; V153-L237 HydrophobicContact CG2-CD1 4.4Å; V153-L237 HydrophobicContact CG2-CD2 4.09Å; M155-L237 HydrophobicContact CE-CD1 3.47Å; M155-L237 VanDerWaalsContact CE-CD1 3.47Å; L194-L237 HydrophobicContact CD2-CD2 4.3Å; V233-L237 HydrophobicContact CG1-CD1 3.93Å; V233-L237 WeakPolarHBondContact O-CB 3.43Å; V233-L237 VanDerWaalsContact O-CG 3.27Å; V233-L237 WeakPolarHBondContact O-CG 3.36Å; V233-L237 PolarHBondContact O-N 3.37Å; V234-L237 PolarHBondContact O-N 2.77Å; L237-H240 PolarHBondContact O-N 3.25Å; L237-Y241 HydrophobicContact CD2-CD2 4.04Å; L237-Y241 HydrophobicContact CD2-CE2 3.85Å; L237-Y241 PolarHBondContact O-N 3.42Å; L237-L247 HydrophobicContact CB-CD2 4.27Å; L237-L247 HydrophobicContact CD1-CD2 3.97Å |
| 238 | S | 97.2 | Very high | 97.7 | Very high | 10 Ų | 10 | 28.4 Ų | 28.4 | 7% | 0.07 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -37.4 | 178.4 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | V234 E235 G242 H268 | V234-S238 PolarHBondContact O-N 3.31Å; V234-S238 PolarHBondContact O-OG 3.37Å; E235-S238 PolarHBondContact O-N 3.14Å; S238-G242 CarbonylContact O-C 3.55Å; S238-G242 WeakPolarHBondContact O-CA 3.22Å; S238-G242 PolarHBondContact O-N 3.39Å; S238-H268 PolarHBondContact OG-CE1 3.29Å; S238-H268 VanDerWaalsContact OG-CE1 3.29Å; S238-H268 PolarHBondContact OG-ND1 3.46Å |
| 239 | A | 97.3 | Very high | 97.7 | Very high | 70 Ų | 70 | 26.3 Ų | 26.3 | 58% | 0.579 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -69.5 | -37.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F139 E235 S236 | F139-A239 HydrophobicContact CD2-CB 4.1Å; F139-A239 HydrophobicContact CE2-CB 3.8Å; E235-A239 WeakPolarHBondContact O-CB 3.33Å; E235-A239 PolarHBondContact O-N 3.15Å; S236-A239 PolarHBondContact O-N 3.21Å |
| 240 | H | 97.4 | Very high | 97.6 | Very high | 58 Ų | 58 | 26.3 Ų | 26.3 | 27% | 0.269 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -81.8 | -45.5 | -175.7 | -172.3 | 49.5 | 0 | 0 | 0 | 112.8 | F139 L142 S236 L237 | F139-H240 HydrophobicContact CD2-CB 4.08Å; F139-H240 HydrophobicContact CE2-CB 3.73Å; F139-H240 HydrophobicContact CZ-CB 4.41Å; L142-H240 HydrophobicContact CD1-CB 4.09Å; S236-H240 WeakPolarHBondContact O-CB 3.39Å; S236-H240 PolarHBondContact O-N 3.13Å; L237-H240 PolarHBondContact O-N 3.25Å |
| 241 | Y | 97.1 | Very high | 97.5 | Very high | 30 Ų | 30 | 26.5 Ų | 26.5 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -99.5 | -6.5 | -176.3 | -59.2 | -57.6 | 0 | 0 | 0 | 113.9 | L142 I150 L194 L237 | L142-Y241 HydrophobicContact CD2-CE2 4.34Å; L142-Y241 PolarHBondContact O-OH 2.92Å; I150-Y241 HydrophobicContact CB-CD1 3.75Å; I150-Y241 HydrophobicContact CB-CD2 4Å; I150-Y241 HydrophobicContact CB-CE1 4.09Å; I150-Y241 HydrophobicContact CB-CE2 4.29Å; I150-Y241 HydrophobicContact CB-CG 3.7Å; I150-Y241 HydrophobicContact CG1-CD1 3.64Å; I150-Y241 HydrophobicContact CG1-CD2 4.18Å; I150-Y241 HydrophobicContact CG1-CE1 3.44Å; I150-Y241 VanDerWaalsContact CG1-CE1 3.44Å; I150-Y241 HydrophobicContact CG1-CE2 3.99Å; I150-Y241 HydrophobicContact CG1-CG 4.01Å; I150-Y241 HydrophobicContact CG2-CD2 4.41Å; L194-Y241 HydrophobicContact CD2-CE2 3.68Å; L237-Y241 HydrophobicContact CD2-CD2 4.04Å; L237-Y241 HydrophobicContact CD2-CE2 3.85Å; L237-Y241 PolarHBondContact O-N 3.42Å |
| 242 | G | 95.1 | Very high | 97.4 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 23% | 0.227 | 14% | 0.144 | C | C | . | . | trans | 99 | 160.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S238 N244 V245 | S238-G242 CarbonylContact O-C 3.55Å; S238-G242 WeakPolarHBondContact O-CA 3.22Å; S238-G242 PolarHBondContact O-N 3.39Å; G242-N244 PolarHBondContact O-N 3.38Å; G242-V245 WeakPolarHBondContact O-CG1 3.47Å; G242-V245 PolarHBondContact O-N 3.41Å | ||
| 243 | P | 93.7 | Very high | 97.2 | Very high | 81 Ų | 81 | 27.1 Ų | 27.1 | 53% | 0.526 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.5 | -170.9 | 28.7 | -37.4 | 0 | 0 | 0 | 114.6 | ||
| 244 | N | 94.4 | Very high | 96.7 | Very high | 83 Ų | 83 | 29.1 Ų | 29.1 | 44% | 0.444 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 7.5 | -178.4 | -63.5 | -16 | 0 | 0 | 0 | 112.8 | G242 C246 I269 A474 | G242-N244 PolarHBondContact O-N 3.38Å; N244-C246 PolarHBondContact O-N 2.97Å; N244-I269 HydrophobicContact CB-CD1 4.29Å; N244-A474 HydrophobicContact CB-CB 4.29Å |
| 245 | V | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | trans | -67.6 | 128 | 173 | 68.7 | 0 | 0 | 0 | 0 | 109.7 | I150 V153 G242 L247 | I150-V245 HydrophobicContact CG2-CG2 4.07Å; V153-V245 HydrophobicContact CG2-CG2 3.74Å; G242-V245 WeakPolarHBondContact O-CG1 3.47Å; G242-V245 PolarHBondContact O-N 3.41Å; V245-L247 HydrophobicContact CG1-CD2 3.95Å; V245-L247 HydrophobicContact CG2-CD2 4.39Å | ||
| 246 | C | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.7 | 177.9 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | K151 T152 V153 N244 I269 | K151-C246 PolarHBondContact O-N 3.06Å; T152-C246 CarbonylContact C-O 3.41Å; T152-C246 WeakPolarHBondContact CA-O 3.38Å; T152-C246 PolarHBondContact OG1-O 3.09Å; V153-C246 PolarHBondContact N-O 3.2Å; N244-C246 PolarHBondContact O-N 2.97Å; C246-I269 CarbonylContact C-O 3.53Å; C246-I269 WeakPolarHBondContact CA-O 3.34Å; C246-I269 HydrophobicContact CB-CG2 3.86Å |
| 247 | L | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 102.9 | -179.2 | -52.4 | -178 | 0 | 0 | 0 | 110.6 | V153 M155 V234 L237 V245 H268 I269 T270 F271 | V153-L247 HydrophobicContact CB-CD2 3.95Å; V153-L247 HydrophobicContact CG2-CD2 4.05Å; M155-L247 HydrophobicContact CE-CB 4.3Å; M155-L247 HydrophobicContact CE-CD2 4.02Å; V234-L247 HydrophobicContact CB-CD1 4.37Å; V234-L247 HydrophobicContact CG1-CD1 3.71Å; V234-L247 HydrophobicContact CG2-CD1 4.18Å; L237-L247 HydrophobicContact CB-CD2 4.27Å; L237-L247 HydrophobicContact CD1-CD2 3.97Å; V245-L247 HydrophobicContact CG1-CD2 3.95Å; V245-L247 HydrophobicContact CG2-CD2 4.39Å; L247-H268 HydrophobicContact CD1-CB 4.26Å; L247-I269 PolarHBondContact N-O 3.08Å; L247-T270 WeakPolarHBondContact O-CA 3.21Å; L247-T270 WeakPolarHBondContact O-CB 3.32Å; L247-T270 PolarHBondContact O-OG1 2.91Å; L247-F271 PolarHBondContact O-N 3.45Å |
| 248 | H | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113.6 | 176.1 | 178.5 | 155.9 | 0 | 0 | 0 | 109.9 | V153 V154 M155 Y182 F271 D273 | V153-H248 WeakPolarHBondContact O-CB 3.3Å; V153-H248 PolarHBondContact O-N 3.31Å; V154-H248 WeakPolarHBondContact CA-O 3.22Å; V154-H248 HydrophobicContact CB-CB 4.31Å; V154-H248 HydrophobicContact CG2-CB 4.32Å; M155-H248 PolarHBondContact N-O 2.8Å; Y182-H248 AromaticContact CZ-ND1 3.75Å; Y182-H248 PolarHBondContact OH-CE1 3.09Å; Y182-H248 VanDerWaalsContact OH-CE1 3.28Å; Y182-H248 PolarHBondContact OH-ND1 2.78Å; H248-F271 HydrophobicContact CB-CD1 4.49Å; H248-F271 HydrophobicContact CB-CE1 3.8Å; H248-F271 HydrophobicContact CB-CZ 3.89Å; H248-F271 AromaticContact CE1-CE2 3.93Å; H248-F271 AromaticContact CE1-CZ 3.76Å; H248-F271 AromaticContact CG-CE1 3.9Å; H248-F271 AromaticContact CG-CE2 3.87Å; H248-F271 AromaticContact CG-CZ 3.43Å; H248-F271 VanDerWaalsContact CG-CZ 3.43Å; H248-F271 AromaticContact ND1-CE1 3.88Å; H248-F271 AromaticContact ND1-CE2 3.67Å; H248-F271 AromaticContact ND1-CZ 3.1Å; H248-F271 WeakPolarHBondContact ND1-CZ 3.14Å; H248-D273 WeakPolarHBondContact NE2-CB 3.31Å |
| 249 | F | 98.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.009 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.2 | 172.2 | -64.5 | -80.2 | 0 | 0 | 0 | 111.3 | M155 M230 V234 F252 Y264 T270 F271 N272 D273 | M155-F249 HydrophobicContact CG-CD1 3.77Å; M155-F249 HydrophobicContact CG-CE1 4.05Å; M155-F249 HydrophobicContact SD-CD1 3.77Å; M155-F249 HydrophobicContact SD-CE1 3.39Å; M155-F249 WeakPolarHBondContact SD-CE1 3.36Å; M155-F249 HydrophobicContact SD-CZ 4.13Å; M230-F249 HydrophobicContact CE-CE1 3.88Å; V234-F249 HydrophobicContact CG2-CZ 4.13Å; F249-F252 HydrophobicContact CB-CD2 3.98Å; F249-F252 HydrophobicContact CB-CE2 3.81Å; F249-F252 HydrophobicContact CD1-CD2 4.33Å; F249-F252 HydrophobicContact CD1-CE1 4.38Å; F249-F252 AromaticContact CD1-CE2 3.59Å; F249-F252 HydrophobicContact CD1-CE2 3.59Å; F249-F252 AromaticContact CD1-CZ 3.62Å; F249-F252 HydrophobicContact CD1-CZ 3.62Å; F249-F252 HydrophobicContact CE1-CZ 4.31Å; F249-F252 HydrophobicContact CG-CE2 4.2Å; F249-Y264 HydrophobicContact CE2-CD2 4.13Å; F249-Y264 AromaticContact CZ-CD2 3.72Å; F249-Y264 HydrophobicContact CZ-CD2 3.72Å; F249-Y264 HydrophobicContact CZ-CE2 4.14Å; F249-T270 WeakPolarHBondContact CD2-OG1 3.25Å; F249-T270 WeakPolarHBondContact CE2-OG1 3.04Å; F249-F271 PolarHBondContact N-O 3.3Å; F249-N272 HydrophobicContact CB-CB 4.3Å; F249-N272 WeakPolarHBondContact O-CA 3.4Å; F249-D273 PolarHBondContact O-N 3.04Å |
| 250 | A | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -131.1 | 140.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M155 T156 I174 K178 F252 | M155-A250 PolarHBondContact O-N 3.41Å; T156-A250 VanDerWaalsContact CA-O 3.32Å; T156-A250 WeakPolarHBondContact CA-O 3.28Å; T156-A250 WeakPolarHBondContact CB-O 3.43Å; T156-A250 PolarHBondContact OG1-O 2.84Å; I174-A250 HydrophobicContact CG2-CB 4.19Å; K178-A250 HydrophobicContact CD-CB 4.08Å; A250-F252 VanDerWaalsContact C-N 3.29Å; A250-F252 WeakPolarHBondContact O-CD2 3.22Å; A250-F252 WeakPolarHBondContact O-CE2 3.24Å; A250-F252 PolarHBondContact O-N 2.96Å | ||
| 251 | D | 96.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 60 | 34.2 | 168.5 | -65.6 | 39.3 | 0 | 0 | 0 | 114 | R160 I161 L162 D274 | R160-D251 CarbonylContact C-O 3.55Å; R160-D251 PolarHBondContact N-O 3.4Å; R160-D251 VanDerWaalsContact N-O 3.07Å; R160-D251 WeakPolarHBondContact O-CB 3.32Å; I161-D251 WeakPolarHBondContact CA-OD2 3.46Å; I161-D251 HydrophobicContact CD1-CB 3.48Å; I161-D251 VanDerWaalsContact CD1-CB 3.48Å; L162-D251 PolarHBondContact N-OD2 3.3Å; D251-D274 WeakPolarHBondContact CA-OD2 3.04Å; D251-D274 PolarHBondContact N-OD2 2.9Å |
| 252 | F | 96.8 | Very high | 95 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | trans | -83.4 | 149.9 | 170.9 | -73.2 | -102.5 | 0 | 0 | 0 | 110.6 | M155 D157 L198 Y226 M230 F249 A250 A257 L260 | M155-F252 HydrophobicContact CG-CE2 4.38Å; M155-F252 HydrophobicContact CG-CZ 4.28Å; M155-F252 WeakPolarHBondContact O-CE2 3.32Å; D157-F252 HydrophobicContact CB-CD1 4.06Å; D157-F252 HydrophobicContact CB-CE1 3.7Å; D157-F252 HydrophobicContact CB-CZ 4.33Å; D157-F252 VanDerWaalsContact OD2-CD1 3.3Å; D157-F252 WeakPolarHBondContact OD2-CD1 3.5Å; L198-F252 HydrophobicContact CD1-CE1 4.39Å; L198-F252 HydrophobicContact CD1-CZ 4.01Å; Y226-F252 WeakPolarHBondContact OH-CD1 3.49Å; Y226-F252 WeakPolarHBondContact OH-CE1 3.32Å; M230-F252 HydrophobicContact CE-CE1 4.36Å; F249-F252 HydrophobicContact CB-CD2 3.98Å; F249-F252 HydrophobicContact CB-CE2 3.81Å; F249-F252 HydrophobicContact CD1-CD2 4.33Å; F249-F252 HydrophobicContact CD1-CE1 4.38Å; F249-F252 AromaticContact CD1-CE2 3.59Å; F249-F252 HydrophobicContact CD1-CE2 3.59Å; F249-F252 AromaticContact CD1-CZ 3.62Å; F249-F252 HydrophobicContact CD1-CZ 3.62Å; F249-F252 HydrophobicContact CE1-CZ 4.31Å; F249-F252 HydrophobicContact CG-CE2 4.2Å; A250-F252 VanDerWaalsContact C-N 3.29Å; A250-F252 WeakPolarHBondContact O-CD2 3.22Å; A250-F252 WeakPolarHBondContact O-CE2 3.24Å; A250-F252 PolarHBondContact O-N 2.96Å; F252-A257 HydrophobicContact CB-CB 3.94Å; F252-L260 HydrophobicContact CD1-CD1 3.85Å; F252-L260 HydrophobicContact CE1-CD1 3.87Å | ||
| 253 | K | 93.5 | Very high | 95.1 | Very high | 93 Ų | 93 | 37.8 Ų | 37.8 | 40% | 0.404 | 19% | 0.19 | S | C | . | . | trans | -62.7 | 141.4 | 170.3 | -177.2 | 172.1 | 178.9 | -176.1 | 0 | 111.3 | E159 S255 N256 A257 | E159-K253 HydrophobicContact CB-CB 4.27Å; E159-K253 HydrophobicContact CG-CB 4.02Å; E159-K253 HydrophobicContact CG-CD 4.15Å; E159-K253 WeakPolarHBondContact OE1-CD 3.24Å; E159-K253 IonicContact OE1-NZ 2.73Å; E159-K253 PolarHBondContact OE1-NZ 3.21Å; E159-K253 VanDerWaalsContact OE2-CB 3.23Å; E159-K253 WeakPolarHBondContact OE2-CB 2.94Å; E159-K253 WeakPolarHBondContact OE2-CD 3.42Å; K253-S255 VanDerWaalsContact C-N 3.28Å; K253-S255 PolarHBondContact O-N 2.66Å; K253-N256 PolarHBondContact O-N 2.71Å; K253-A257 WeakPolarHBondContact O-CB 3.5Å; K253-A257 PolarHBondContact O-N 3.19Å | ||
| 254 | N | 88.5 | Confident | 95.3 | Very high | 41 Ų | 41 | 34.2 Ų | 34.2 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -46.5 | -44.5 | -172.9 | -62.6 | -12 | 0 | 0 | 0 | 114.8 | R160 A257 F258 G308 G309 | R160-N254 PolarHBondContact NH1-ND2 2.73Å; R160-N254 VanDerWaalsContact NH1-ND2 3.14Å; R160-N254 PolarHBondContact NH1-OD1 3.27Å; N254-A257 PolarHBondContact O-N 2.82Å; N254-F258 WeakPolarHBondContact O-CD2 3.48Å; N254-F258 PolarHBondContact O-N 3.34Å; N254-F258 VanDerWaalsContact O-N 3.15Å; N254-G308 VanDerWaalsContact ND2-CA 3.32Å; N254-G308 WeakPolarHBondContact ND2-CA 3.33Å; N254-G309 VanDerWaalsContact CG-N 3.31Å; N254-G309 PolarHBondContact ND2-N 2.82Å; N254-G309 PolarHBondContact OD1-N 3.45Å |
| 255 | S | 85.7 | Confident | 95.3 | Very high | 69 Ų | 69 | 33.8 Ų | 33.8 | 48% | 0.483 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.9 | -48.1 | -180 | 50 | 0 | 0 | 0 | 0 | 111.7 | K253 Q259 | K253-S255 VanDerWaalsContact C-N 3.28Å; K253-S255 PolarHBondContact O-N 2.66Å; S255-Q259 WeakPolarHBondContact O-CB 3.32Å; S255-Q259 PolarHBondContact O-N 3.08Å |
| 256 | N | 93.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 36.8 Ų | 36.8 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70 | -42.9 | 179.3 | -61.3 | -6.4 | 0 | 0 | 0 | 110.2 | E159 Y226 K253 F258 Q259 L260 | E159-N256 PolarHBondContact OE2-ND2 3.21Å; Y226-N256 HydrophobicContact CE1-CB 4.09Å; K253-N256 PolarHBondContact O-N 2.71Å; N256-F258 PolarHBondContact O-N 3.02Å; N256-Q259 PolarHBondContact O-N 3.1Å; N256-L260 HydrophobicContact CB-CD1 4.28Å; N256-L260 WeakPolarHBondContact O-CB 3.46Å; N256-L260 WeakPolarHBondContact O-CG 3.34Å; N256-L260 PolarHBondContact O-N 3.02Å |
| 257 | A | 93.8 | Very high | 95 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.3 | -48.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F252 K253 N254 L261 I275 | F252-A257 HydrophobicContact CB-CB 3.94Å; K253-A257 WeakPolarHBondContact O-CB 3.5Å; K253-A257 PolarHBondContact O-N 3.19Å; N254-A257 PolarHBondContact O-N 2.82Å; A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 PolarHBondContact O-N 2.64Å; A257-L261 VanDerWaalsContact O-N 3.08Å; A257-I275 HydrophobicContact CB-CD1 3.79Å |
| 258 | F | 92.9 | Very high | 95 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.2 | -42.6 | 176.9 | -76.1 | -65.7 | 0 | 0 | 0 | 112.7 | N254 N256 L261 E262 I275 I312 A354 | N254-F258 WeakPolarHBondContact O-CD2 3.48Å; N254-F258 PolarHBondContact O-N 3.34Å; N254-F258 VanDerWaalsContact O-N 3.15Å; N256-F258 PolarHBondContact O-N 3.02Å; F258-L261 PolarHBondContact O-N 3.04Å; F258-E262 PolarHBondContact O-N 3.39Å; F258-I275 HydrophobicContact CD1-CD1 3.6Å; F258-I275 HydrophobicContact CD1-CG1 4.45Å; F258-I275 HydrophobicContact CD1-CG2 4.5Å; F258-I275 HydrophobicContact CD2-CD1 4.33Å; F258-I275 HydrophobicContact CE1-CB 4.48Å; F258-I275 HydrophobicContact CE1-CD1 3.58Å; F258-I275 HydrophobicContact CE1-CG1 3.92Å; F258-I275 HydrophobicContact CE1-CG2 3.69Å; F258-I275 HydrophobicContact CE2-CD1 4.31Å; F258-I275 HydrophobicContact CG-CD1 3.97Å; F258-I275 HydrophobicContact CZ-CD1 3.92Å; F258-I275 HydrophobicContact CZ-CG1 3.96Å; F258-I275 HydrophobicContact CZ-CG2 4.23Å; F258-I312 HydrophobicContact CE1-CG2 4.14Å; F258-I312 HydrophobicContact CE2-CB 4.49Å; F258-I312 HydrophobicContact CZ-CB 3.82Å; F258-I312 HydrophobicContact CZ-CG2 3.77Å; F258-A354 HydrophobicContact CD2-CB 4.47Å; F258-A354 HydrophobicContact CE2-CB 4.48Å |
| 259 | Q | 94.6 | Very high | 95 | Very high | 97 Ų | 97 | 42.5 Ų | 42.5 | 45% | 0.453 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -46.6 | -179 | -176.7 | 178.3 | 8.1 | 0 | 0 | 111.6 | I227 S255 N256 R263 | I227-Q259 HydrophobicContact CD1-CG 4.24Å; S255-Q259 WeakPolarHBondContact O-CB 3.32Å; S255-Q259 PolarHBondContact O-N 3.08Å; N256-Q259 PolarHBondContact O-N 3.1Å; Q259-R263 WeakPolarHBondContact O-CB 3.23Å; Q259-R263 PolarHBondContact O-N 2.89Å |
| 260 | L | 97.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.1 | -40.4 | 179.8 | -62.2 | 170.7 | 0 | 0 | 0 | 111.3 | Y226 I227 M230 F252 N256 R263 Y264 | Y226-L260 HydrophobicContact CE1-CD1 4.16Å; Y226-L260 HydrophobicContact CE1-CD2 4.41Å; I227-L260 HydrophobicContact CD1-CD2 4.07Å; M230-L260 HydrophobicContact CB-CD2 3.76Å; M230-L260 HydrophobicContact CE-CD1 4.08Å; M230-L260 HydrophobicContact CE-CD2 4.42Å; M230-L260 HydrophobicContact CG-CD1 4.38Å; M230-L260 HydrophobicContact CG-CD2 3.8Å; F252-L260 HydrophobicContact CD1-CD1 3.85Å; F252-L260 HydrophobicContact CE1-CD1 3.87Å; N256-L260 HydrophobicContact CB-CD1 4.28Å; N256-L260 WeakPolarHBondContact O-CB 3.46Å; N256-L260 WeakPolarHBondContact O-CG 3.34Å; N256-L260 PolarHBondContact O-N 3.02Å; L260-R263 PolarHBondContact O-N 3.27Å; L260-Y264 HydrophobicContact CB-CD2 4.23Å; L260-Y264 HydrophobicContact CB-CE2 4.02Å; L260-Y264 HydrophobicContact CD2-CE2 3.68Å; L260-Y264 HydrophobicContact CG-CE2 4.42Å; L260-Y264 WeakPolarHBondContact O-CD2 3.26Å; L260-Y264 PolarHBondContact O-N 2.8Å |
| 261 | L | 95.7 | Very high | 95 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.073 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -50.5 | 175.5 | 179.1 | 60.8 | 0 | 0 | 0 | 111 | A257 F258 R263 R265 N272 I275 Q276 | A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 PolarHBondContact O-N 2.64Å; A257-L261 VanDerWaalsContact O-N 3.08Å; F258-L261 PolarHBondContact O-N 3.04Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 2.76Å; L261-R265 WeakPolarHBondContact O-CB 3.33Å; L261-R265 PolarHBondContact O-N 3.5Å; L261-N272 HydrophobicContact CD2-CB 4.32Å; L261-I275 HydrophobicContact CD2-CD1 4.31Å; L261-I275 HydrophobicContact CD2-CG2 4.37Å; L261-Q276 HydrophobicContact CD2-CG 4.24Å |
| 262 | E | 94.5 | Very high | 95 | Very high | 115 Ų | 115 | 42.4 Ų | 42.4 | 54% | 0.537 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.7 | -35.1 | 179.9 | -168.7 | 55.7 | -145.9 | 0 | 0 | 112.1 | F258 P266 | F258-E262 PolarHBondContact O-N 3.39Å; E262-P266 WeakPolarHBondContact O-CD 3.32Å |
| 263 | R | 97.1 | Very high | 95 | Very high | 123 Ų | 123 | 42.3 Ų | 42.3 | 46% | 0.464 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.3 | -43.5 | 179.2 | -174.1 | 169.7 | -170.1 | 74 | -0.6 | 113.1 | D231 Q259 L260 L261 | D231-R263 IonicContact OD1-CZ 2.85Å; D231-R263 IonicContact OD1-NE 3.59Å; D231-R263 PolarHBondContact OD1-NE 3.1Å; D231-R263 IonicContact OD1-NH2 2.82Å; D231-R263 IonicContact OD2-CZ 3.88Å; D231-R263 IonicContact OD2-NE 3.08Å; D231-R263 PolarHBondContact OD2-NE 3Å; D231-R263 IonicContact OD2-NH2 3.38Å; D231-R263 PolarHBondContact OD2-NH2 2.95Å; Q259-R263 WeakPolarHBondContact O-CB 3.23Å; Q259-R263 PolarHBondContact O-N 2.89Å; L260-R263 PolarHBondContact O-N 3.27Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 2.76Å |
| 264 | Y | 97.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -99.6 | -24.7 | -171.3 | -57.4 | -53.2 | 0 | 0 | 0 | 114.5 | M230 D231 V234 F249 L260 P266 N267 H268 | M230-Y264 VanDerWaalsContact CB-OH 3.27Å; M230-Y264 WeakPolarHBondContact CB-OH 3.49Å; M230-Y264 PolarHBondContact O-OH 3.2Å; D231-Y264 PolarHBondContact N-OH 3.25Å; D231-Y264 VanDerWaalsContact N-OH 3.12Å; D231-Y264 WeakPolarHBondContact OD1-CE1 3.18Å; D231-Y264 PolarHBondContact OD1-OH 2.81Å; V234-Y264 HydrophobicContact CB-CD1 4.13Å; V234-Y264 HydrophobicContact CB-CE1 3.96Å; V234-Y264 HydrophobicContact CG1-CD1 3.72Å; V234-Y264 HydrophobicContact CG1-CE1 4.04Å; V234-Y264 HydrophobicContact CG1-CG 4.07Å; V234-Y264 HydrophobicContact CG2-CD1 4.19Å; V234-Y264 HydrophobicContact CG2-CD2 3.88Å; V234-Y264 HydrophobicContact CG2-CE1 4.02Å; V234-Y264 HydrophobicContact CG2-CE2 3.67Å; V234-Y264 HydrophobicContact CG2-CG 4.15Å; F249-Y264 HydrophobicContact CE2-CD2 4.13Å; F249-Y264 AromaticContact CZ-CD2 3.72Å; F249-Y264 HydrophobicContact CZ-CD2 3.72Å; F249-Y264 HydrophobicContact CZ-CE2 4.14Å; L260-Y264 HydrophobicContact CB-CD2 4.23Å; L260-Y264 HydrophobicContact CB-CE2 4.02Å; L260-Y264 HydrophobicContact CD2-CE2 3.68Å; L260-Y264 HydrophobicContact CG-CE2 4.42Å; L260-Y264 WeakPolarHBondContact O-CD2 3.26Å; L260-Y264 PolarHBondContact O-N 2.8Å; Y264-P266 VanDerWaalsContact C-N 3.31Å; Y264-P266 VanDerWaalsContact O-N 3.14Å; Y264-N267 PolarHBondContact O-N 3.47Å; Y264-N267 VanDerWaalsContact O-N 3.09Å; Y264-H268 PolarHBondContact O-N 3.3Å |
| 265 | R | 95.5 | Very high | 95.4 | Very high | 74 Ų | 74 | 38.1 Ų | 38.1 | 28% | 0.279 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -37.2 | -177.7 | -175.8 | -173.1 | 77.5 | 81.3 | 4.1 | 115.1 | L261 N267 T270 P477 | L261-R265 WeakPolarHBondContact O-CB 3.33Å; L261-R265 PolarHBondContact O-N 3.5Å; R265-N267 VanDerWaalsContact C-N 3.34Å; R265-N267 PolarHBondContact O-N 3.17Å; R265-T270 HydrophobicContact CB-CG2 4.38Å; R265-P477 HydrophobicContact CG-CB 3.77Å |
| 266 | P | 94.4 | Very high | 96 | Very high | 64 Ų | 64 | 35.4 Ų | 35.4 | 42% | 0.416 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -36.6 | 179.8 | -24.8 | 35.9 | 0 | 0 | 0 | 113.8 | E262 Y264 | E262-P266 WeakPolarHBondContact O-CD 3.32Å; Y264-P266 VanDerWaalsContact C-N 3.31Å; Y264-P266 VanDerWaalsContact O-N 3.14Å |
| 267 | N | 95 | Very high | 96.2 | Very high | 109 Ų | 109 | 34.1 Ų | 34.1 | 58% | 0.583 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | -8.8 | -166.1 | -64.9 | -34.2 | 0 | 0 | 0 | 114.2 | Y264 R265 R476 | Y264-N267 PolarHBondContact O-N 3.47Å; Y264-N267 VanDerWaalsContact O-N 3.09Å; R265-N267 VanDerWaalsContact C-N 3.34Å; R265-N267 PolarHBondContact O-N 3.17Å; N267-R476 VanDerWaalsContact C-CD 3.41Å; N267-R476 PolarHBondContact O-NH1 2.95Å |
| 268 | H | 97.7 | Very high | 96.3 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -128 | 149.8 | 179.5 | -63 | -76.8 | 0 | 0 | 0 | 111.5 | V234 E235 S238 L247 Y264 T270 R476 | V234-H268 WeakPolarHBondContact CG1-NE2 3.44Å; E235-H268 IonicContact OE1-CE1 3.99Å; E235-H268 PolarHBondContact OE1-CE1 2.66Å; E235-H268 IonicContact OE1-NE2 2.73Å; E235-H268 PolarHBondContact OE1-NE2 2.99Å; E235-H268 IonicContact OE2-CE1 3.11Å; E235-H268 IonicContact OE2-NE2 2.72Å; S238-H268 PolarHBondContact OG-CE1 3.29Å; S238-H268 VanDerWaalsContact OG-CE1 3.29Å; S238-H268 PolarHBondContact OG-ND1 3.46Å; L247-H268 HydrophobicContact CD1-CB 4.26Å; Y264-H268 PolarHBondContact O-N 3.3Å; H268-T270 PolarHBondContact O-N 3.33Å; H268-T270 VanDerWaalsContact O-N 3.12Å; H268-R476 VanDerWaalsContact C-CD 3.4Å; H268-R476 WeakPolarHBondContact O-CD 3.41Å |
| 269 | I | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 103.1 | 168.9 | -60.8 | -177.7 | 0 | 0 | 0 | 106.3 | N244 C246 L247 L470 A474 R476 | N244-I269 HydrophobicContact CB-CD1 4.29Å; C246-I269 CarbonylContact C-O 3.53Å; C246-I269 WeakPolarHBondContact CA-O 3.34Å; C246-I269 HydrophobicContact CB-CG2 3.86Å; L247-I269 PolarHBondContact N-O 3.08Å; I269-L470 HydrophobicContact CG2-CB 3.78Å; I269-L470 HydrophobicContact CG2-CD1 4.44Å; I269-L470 HydrophobicContact CG2-CG 4.48Å; I269-A474 HydrophobicContact CD1-CB 4.12Å; I269-R476 HydrophobicContact CG1-CB 4.1Å |
| 270 | T | 97.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.025 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 153.9 | -174.7 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | L247 F249 R265 H268 | L247-T270 WeakPolarHBondContact O-CA 3.21Å; L247-T270 WeakPolarHBondContact O-CB 3.32Å; L247-T270 PolarHBondContact O-OG1 2.91Å; F249-T270 WeakPolarHBondContact CD2-OG1 3.25Å; F249-T270 WeakPolarHBondContact CE2-OG1 3.04Å; R265-T270 HydrophobicContact CB-CG2 4.38Å; H268-T270 PolarHBondContact O-N 3.33Å; H268-T270 VanDerWaalsContact O-N 3.12Å |
| 271 | F | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 160.9 | 167.7 | 73 | -81.8 | 0 | 0 | 0 | 110.6 | L247 H248 F249 D273 Q276 F463 L466 V467 L470 L478 | L247-F271 PolarHBondContact O-N 3.45Å; H248-F271 HydrophobicContact CB-CD1 4.49Å; H248-F271 HydrophobicContact CB-CE1 3.8Å; H248-F271 HydrophobicContact CB-CZ 3.89Å; H248-F271 AromaticContact CE1-CE2 3.93Å; H248-F271 AromaticContact CE1-CZ 3.76Å; H248-F271 AromaticContact CG-CE1 3.9Å; H248-F271 AromaticContact CG-CE2 3.87Å; H248-F271 AromaticContact CG-CZ 3.43Å; H248-F271 VanDerWaalsContact CG-CZ 3.43Å; H248-F271 AromaticContact ND1-CE1 3.88Å; H248-F271 AromaticContact ND1-CE2 3.67Å; H248-F271 AromaticContact ND1-CZ 3.1Å; H248-F271 WeakPolarHBondContact ND1-CZ 3.14Å; F249-F271 PolarHBondContact N-O 3.3Å; F271-D273 HydrophobicContact CE2-CB 4.16Å; F271-Q276 VanDerWaalsContact CB-OE1 3.24Å; F271-F463 HydrophobicContact CE2-CB 4.43Å; F271-F463 HydrophobicContact CZ-CB 4.45Å; F271-L466 HydrophobicContact CD2-CD1 4.05Å; F271-L466 HydrophobicContact CE1-CB 4.32Å; F271-L466 HydrophobicContact CE2-CD1 3.97Å; F271-L466 HydrophobicContact CZ-CB 4.16Å; F271-L466 HydrophobicContact CZ-CD1 4.45Å; F271-V467 HydrophobicContact CE1-CG2 3.67Å; F271-V467 HydrophobicContact CZ-CG2 3.71Å; F271-L470 HydrophobicContact CD1-CD1 3.6Å; F271-L470 HydrophobicContact CE1-CD1 4.07Å; F271-L470 HydrophobicContact CG-CD1 4.42Å; F271-L478 HydrophobicContact CB-CD2 3.54Å; F271-L478 HydrophobicContact CG-CD2 4.25Å |
| 272 | N | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.4 | 170.4 | -179.7 | -74.2 | 0 | 0 | 0 | 109.8 | F249 L261 D274 I275 Q276 | F249-N272 HydrophobicContact CB-CB 4.3Å; F249-N272 WeakPolarHBondContact O-CA 3.4Å; L261-N272 HydrophobicContact CD2-CB 4.32Å; N272-D274 PolarHBondContact OD1-N 3.36Å; N272-D274 VanDerWaalsContact OD1-N 3.1Å; N272-I275 HydrophobicContact CB-CB 4.3Å; N272-I275 HydrophobicContact CB-CD1 4.16Å; N272-I275 HydrophobicContact CB-CG1 4.49Å; N272-I275 WeakPolarHBondContact OD1-CG1 3.39Å; N272-I275 PolarHBondContact OD1-N 3.15Å; N272-Q276 WeakPolarHBondContact O-CA 3.4Å; N272-Q276 VanDerWaalsContact O-CB 3.31Å; N272-Q276 WeakPolarHBondContact O-CB 3.48Å; N272-Q276 PolarHBondContact O-N 3.47Å |
| 273 | D | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -74.2 | -34.5 | -172.8 | -169.8 | 55.4 | 0 | 0 | 0 | 113.6 | K178 H248 F249 F271 I275 G277 S278 N459 F463 | K178-D273 IonicContact NZ-OD2 2.72Å; K178-D273 PolarHBondContact NZ-OD2 3.33Å; H248-D273 WeakPolarHBondContact NE2-CB 3.31Å; F249-D273 PolarHBondContact O-N 3.04Å; F271-D273 HydrophobicContact CE2-CB 4.16Å; D273-I275 VanDerWaalsContact C-N 3.32Å; D273-I275 PolarHBondContact O-N 2.91Å; D273-G277 CarbonylContact O-C 3.5Å; D273-G277 WeakPolarHBondContact O-CA 3.48Å; D273-G277 PolarHBondContact O-N 3.03Å; D273-S278 PolarHBondContact O-N 2.93Å; D273-N459 VanDerWaalsContact CG-ND2 3.34Å; D273-N459 PolarHBondContact O-ND2 3.32Å; D273-N459 VanDerWaalsContact O-ND2 3.16Å; D273-N459 WeakPolarHBondContact OD2-CB 3.3Å; D273-N459 PolarHBondContact OD2-ND2 3.41Å; D273-F463 WeakPolarHBondContact OD1-CB 3.35Å |
| 274 | D | 94.2 | Very high | 97.2 | Very high | 41 Ų | 41 | 16.6 Ų | 16.6 | 22% | 0.219 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -71.4 | -28.7 | 178.3 | -60 | -59.6 | 0 | 0 | 0 | 112.7 | D251 N272 A310 | D251-D274 WeakPolarHBondContact CA-OD2 3.04Å; D251-D274 PolarHBondContact N-OD2 2.9Å; N272-D274 PolarHBondContact OD1-N 3.36Å; N272-D274 VanDerWaalsContact OD1-N 3.1Å; D274-A310 VanDerWaalsContact O-CA 3.26Å; D274-A310 WeakPolarHBondContact O-CA 3.31Å |
| 275 | I | 95.6 | Very high | 97.2 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -89.5 | -59 | 177.4 | -62.5 | 165.7 | 0 | 0 | 0 | 109.9 | A257 F258 L261 N272 D273 A279 G313 | A257-I275 HydrophobicContact CB-CD1 3.79Å; F258-I275 HydrophobicContact CD1-CD1 3.6Å; F258-I275 HydrophobicContact CD1-CG1 4.45Å; F258-I275 HydrophobicContact CD1-CG2 4.5Å; F258-I275 HydrophobicContact CD2-CD1 4.33Å; F258-I275 HydrophobicContact CE1-CB 4.48Å; F258-I275 HydrophobicContact CE1-CD1 3.58Å; F258-I275 HydrophobicContact CE1-CG1 3.92Å; F258-I275 HydrophobicContact CE1-CG2 3.69Å; F258-I275 HydrophobicContact CE2-CD1 4.31Å; F258-I275 HydrophobicContact CG-CD1 3.97Å; F258-I275 HydrophobicContact CZ-CD1 3.92Å; F258-I275 HydrophobicContact CZ-CG1 3.96Å; F258-I275 HydrophobicContact CZ-CG2 4.23Å; L261-I275 HydrophobicContact CD2-CD1 4.31Å; L261-I275 HydrophobicContact CD2-CG2 4.37Å; N272-I275 HydrophobicContact CB-CB 4.3Å; N272-I275 HydrophobicContact CB-CD1 4.16Å; N272-I275 HydrophobicContact CB-CG1 4.49Å; N272-I275 WeakPolarHBondContact OD1-CG1 3.39Å; N272-I275 PolarHBondContact OD1-N 3.15Å; D273-I275 VanDerWaalsContact C-N 3.32Å; D273-I275 PolarHBondContact O-N 2.91Å; I275-A279 WeakPolarHBondContact O-CB 3.27Å; I275-A279 PolarHBondContact O-N 2.96Å; I275-G313 WeakPolarHBondContact O-CA 3.19Å |
| 276 | Q | 97.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 13 Ų | 13 | 6% | 0.056 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -90.6 | -43.3 | -169.9 | -62.1 | 173.1 | -72.3 | 0 | 0 | 111.8 | L261 F271 N272 A279 V280 L483 | L261-Q276 HydrophobicContact CD2-CG 4.24Å; F271-Q276 VanDerWaalsContact CB-OE1 3.24Å; N272-Q276 WeakPolarHBondContact O-CA 3.4Å; N272-Q276 VanDerWaalsContact O-CB 3.31Å; N272-Q276 WeakPolarHBondContact O-CB 3.48Å; N272-Q276 PolarHBondContact O-N 3.47Å; Q276-A279 WeakPolarHBondContact O-CB 3.18Å; Q276-A279 PolarHBondContact O-N 3.34Å; Q276-V280 WeakPolarHBondContact O-CG2 3.23Å; Q276-V280 PolarHBondContact O-N 3.45Å; Q276-V280 VanDerWaalsContact O-N 3.13Å; Q276-L483 HydrophobicContact CB-CD1 3.87Å; Q276-L483 HydrophobicContact CB-CD2 4.01Å; Q276-L483 HydrophobicContact CG-CD1 3.92Å |
| 277 | G | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.062 | C | C | . | . | I | π-helix | trans | -61.5 | -48.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D273 A279 V280 V281 | D273-G277 CarbonylContact O-C 3.5Å; D273-G277 WeakPolarHBondContact O-CA 3.48Å; D273-G277 PolarHBondContact O-N 3.03Å; G277-A279 VanDerWaalsContact C-N 3.32Å; G277-A279 PolarHBondContact O-N 3.21Å; G277-V280 PolarHBondContact O-N 3.19Å; G277-V281 PolarHBondContact O-N 3.15Å |
| 278 | S | 96.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 6.3 Ų | 6.3 | 12% | 0.119 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 174 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | D273 V280 V281 I282 N459 | D273-S278 PolarHBondContact O-N 2.93Å; S278-V280 PolarHBondContact O-N 3.04Å; S278-V281 PolarHBondContact O-N 2.91Å; S278-I282 VanDerWaalsContact O-CG1 3.31Å; S278-I282 WeakPolarHBondContact O-CG1 3.48Å; S278-I282 PolarHBondContact O-N 3.16Å; S278-N459 WeakPolarHBondContact CA-OD1 3.3Å; S278-N459 PolarHBondContact OG-ND2 2.64Å; S278-N459 PolarHBondContact OG-OD1 2.9Å |
| 279 | A | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.008 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -55.8 | -49.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | I275 Q276 G277 V281 I282 V283 G313 I314 L317 | I275-A279 WeakPolarHBondContact O-CB 3.27Å; I275-A279 PolarHBondContact O-N 2.96Å; Q276-A279 WeakPolarHBondContact O-CB 3.18Å; Q276-A279 PolarHBondContact O-N 3.34Å; G277-A279 VanDerWaalsContact C-N 3.32Å; G277-A279 PolarHBondContact O-N 3.21Å; A279-V281 PolarHBondContact O-N 3.22Å; A279-I282 PolarHBondContact O-N 3.28Å; A279-V283 WeakPolarHBondContact O-CB 3.39Å; A279-V283 VanDerWaalsContact O-CG2 3.31Å; A279-V283 WeakPolarHBondContact O-CG2 3.26Å; A279-V283 PolarHBondContact O-N 3.44Å; A279-G313 VanDerWaalsContact CB-C 3.49Å; A279-G313 WeakPolarHBondContact CB-O 3.39Å; A279-I314 HydrophobicContact CB-CG1 4.41Å; A279-L317 HydrophobicContact CB-CB 3.94Å; A279-L317 HydrophobicContact CB-CD2 3.85Å |
| 280 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -59.3 | -48.2 | 179.9 | -177 | 0 | 0 | 0 | 0 | 111.3 | Q276 G277 S278 S284 L317 V462 L483 A486 A487 | Q276-V280 WeakPolarHBondContact O-CG2 3.23Å; Q276-V280 PolarHBondContact O-N 3.45Å; Q276-V280 VanDerWaalsContact O-N 3.13Å; G277-V280 PolarHBondContact O-N 3.19Å; S278-V280 PolarHBondContact O-N 3.04Å; V280-S284 WeakPolarHBondContact O-CB 3.28Å; V280-S284 PolarHBondContact O-N 3.42Å; V280-L317 HydrophobicContact CG2-CD2 4.29Å; V280-V462 HydrophobicContact CB-CB 4.37Å; V280-V462 HydrophobicContact CB-CG1 3.79Å; V280-V462 HydrophobicContact CB-CG2 3.95Å; V280-V462 HydrophobicContact CG1-CB 4.23Å; V280-V462 HydrophobicContact CG1-CG1 3.72Å; V280-V462 HydrophobicContact CG1-CG2 3.47Å; V280-V462 VanDerWaalsContact CG1-CG2 3.47Å; V280-V462 HydrophobicContact CG2-CG1 4.04Å; V280-L483 HydrophobicContact CG2-CB 3.85Å; V280-L483 HydrophobicContact CG2-CD2 3.61Å; V280-L483 HydrophobicContact CG2-CG 4.31Å; V280-A486 HydrophobicContact CG1-CB 3.7Å; V280-A487 HydrophobicContact CG1-CB 3.85Å; V280-A487 WeakPolarHBondContact O-CB 3.39Å |
| 281 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | -177.2 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | G277 S278 A279 S284 G285 V462 Y505 | G277-V281 PolarHBondContact O-N 3.15Å; S278-V281 PolarHBondContact O-N 2.91Å; A279-V281 PolarHBondContact O-N 3.22Å; V281-S284 WeakPolarHBondContact O-CB 3.34Å; V281-S284 PolarHBondContact O-N 2.98Å; V281-G285 PolarHBondContact O-N 3.13Å; V281-V462 HydrophobicContact CG2-CB 4.06Å; V281-V462 HydrophobicContact CG2-CG2 3.52Å; V281-Y505 HydrophobicContact CG1-CE1 3.6Å; V281-Y505 WeakPolarHBondContact O-CE1 3.42Å; V281-Y505 PolarHBondContact O-OH 2.91Å |
| 282 | I | 98.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 2% | 0.015 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -70.3 | -44.2 | -177.4 | -58.3 | -35.8 | 0 | 0 | 0 | 110.9 | S278 A279 S284 G285 L286 I314 I382 F409 L411 | S278-I282 VanDerWaalsContact O-CG1 3.31Å; S278-I282 WeakPolarHBondContact O-CG1 3.48Å; S278-I282 PolarHBondContact O-N 3.16Å; A279-I282 PolarHBondContact O-N 3.28Å; I282-S284 VanDerWaalsContact C-N 3.29Å; I282-S284 PolarHBondContact O-N 3.25Å; I282-G285 PolarHBondContact O-N 2.61Å; I282-G285 VanDerWaalsContact O-N 3.14Å; I282-L286 HydrophobicContact CG2-CD1 3.98Å; I282-L286 HydrophobicContact CG2-CG 4.42Å; I282-L286 VanDerWaalsContact O-CG 3.3Å; I282-L286 WeakPolarHBondContact O-CG 3.16Å; I282-L286 PolarHBondContact O-N 2.96Å; I282-I314 HydrophobicContact CB-CD1 3.98Å; I282-I314 HydrophobicContact CB-CG1 3.99Å; I282-I314 HydrophobicContact CB-CG2 4.05Å; I282-I314 HydrophobicContact CG1-CD1 3.63Å; I282-I314 HydrophobicContact CG1-CG1 4.06Å; I282-I314 HydrophobicContact CG2-CD1 4.19Å; I282-I314 HydrophobicContact CG2-CG1 4.42Å; I282-I314 HydrophobicContact CG2-CG2 3.79Å; I282-I382 HydrophobicContact CG2-CD1 4.27Å; I282-F409 HydrophobicContact CD1-CD1 3.97Å; I282-F409 HydrophobicContact CD1-CE1 4.14Å; I282-F409 HydrophobicContact CG2-CD1 3.98Å; I282-F409 HydrophobicContact CG2-CE1 4Å; I282-L411 HydrophobicContact CD1-CD1 4.36Å; I282-L411 HydrophobicContact CD1-CD2 3.39Å; I282-L411 HydrophobicContact CG1-CD1 3.99Å; I282-L411 HydrophobicContact CG1-CD2 3.92Å |
| 283 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.8 | 174 | 0 | 0 | 0 | 0 | 111 | A279 G285 L286 I287 I314 L317 L318 A321 L484 A487 | A279-V283 WeakPolarHBondContact O-CB 3.39Å; A279-V283 VanDerWaalsContact O-CG2 3.31Å; A279-V283 WeakPolarHBondContact O-CG2 3.26Å; A279-V283 PolarHBondContact O-N 3.44Å; V283-G285 PolarHBondContact O-N 3.3Å; V283-L286 PolarHBondContact O-N 3Å; V283-L286 VanDerWaalsContact O-N 3.15Å; V283-I287 HydrophobicContact CG1-CD1 3.95Å; V283-I287 HydrophobicContact CG1-CG1 4.29Å; V283-I287 VanDerWaalsContact O-CG1 3.27Å; V283-I287 WeakPolarHBondContact O-CG1 3.33Å; V283-I287 PolarHBondContact O-N 3.07Å; V283-I314 HydrophobicContact CG2-CG2 4.43Å; V283-L317 HydrophobicContact CB-CD2 3.95Å; V283-L317 HydrophobicContact CB-CG 4.32Å; V283-L317 HydrophobicContact CG1-CD2 4.41Å; V283-L317 HydrophobicContact CG1-CG 4.43Å; V283-L317 HydrophobicContact CG2-CB 3.93Å; V283-L317 HydrophobicContact CG2-CD2 3.85Å; V283-L317 HydrophobicContact CG2-CG 3.89Å; V283-L318 HydrophobicContact CG2-CD2 3.91Å; V283-L318 HydrophobicContact CG2-CG 3.88Å; V283-A321 HydrophobicContact CG1-CB 4.3Å; V283-L484 HydrophobicContact CG1-CD1 4.14Å; V283-A487 HydrophobicContact CB-CB 4.25Å; V283-A487 HydrophobicContact CG1-CB 4.08Å |
| 284 | S | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.3 | -44.5 | 173.5 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | V280 V281 I282 L286 I287 T288 A487 L490 S491 | V280-S284 WeakPolarHBondContact O-CB 3.28Å; V280-S284 PolarHBondContact O-N 3.42Å; V281-S284 WeakPolarHBondContact O-CB 3.34Å; V281-S284 PolarHBondContact O-N 2.98Å; I282-S284 VanDerWaalsContact C-N 3.29Å; I282-S284 PolarHBondContact O-N 3.25Å; S284-L286 VanDerWaalsContact C-N 3.29Å; S284-L286 PolarHBondContact O-N 3.16Å; S284-I287 PolarHBondContact O-N 3.25Å; S284-T288 PolarHBondContact O-N 3.42Å; S284-T288 PolarHBondContact O-OG1 3.36Å; S284-A487 VanDerWaalsContact CB-O 3.23Å; S284-A487 WeakPolarHBondContact CB-O 3.47Å; S284-A487 PolarHBondContact OG-O 2.88Å; S284-L490 WeakPolarHBondContact OG-CB 3.37Å; S284-L490 VanDerWaalsContact OG-CG 3.28Å; S284-L490 WeakPolarHBondContact OG-CG 3.49Å; S284-S491 PolarHBondContact OG-N 3.04Å; S284-S491 VanDerWaalsContact OG-N 3.1Å |
| 285 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.6 | -36.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V281 I282 V283 T288 A289 | V281-G285 PolarHBondContact O-N 3.13Å; I282-G285 PolarHBondContact O-N 2.61Å; I282-G285 VanDerWaalsContact O-N 3.14Å; V283-G285 PolarHBondContact O-N 3.3Å; G285-T288 PolarHBondContact O-N 3.17Å; G285-A289 WeakPolarHBondContact O-CB 3.47Å; G285-A289 PolarHBondContact O-N 3.36Å |
| 286 | L | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -73.3 | -38.1 | 177.7 | -66.2 | 168.6 | 0 | 0 | 0 | 112.7 | I282 V283 S284 T288 A289 S290 Y302 L318 V380 I382 I407 F409 | I282-L286 HydrophobicContact CG2-CD1 3.98Å; I282-L286 HydrophobicContact CG2-CG 4.42Å; I282-L286 VanDerWaalsContact O-CG 3.3Å; I282-L286 WeakPolarHBondContact O-CG 3.16Å; I282-L286 PolarHBondContact O-N 2.96Å; V283-L286 PolarHBondContact O-N 3Å; V283-L286 VanDerWaalsContact O-N 3.15Å; S284-L286 VanDerWaalsContact C-N 3.29Å; S284-L286 PolarHBondContact O-N 3.16Å; L286-T288 VanDerWaalsContact C-N 3.29Å; L286-T288 PolarHBondContact O-N 3.01Å; L286-A289 PolarHBondContact O-N 3.05Å; L286-S290 PolarHBondContact O-N 2.94Å; L286-S290 PolarHBondContact O-OG 3.19Å; L286-Y302 HydrophobicContact CD1-CD1 4.4Å; L286-Y302 HydrophobicContact CD1-CE1 3.96Å; L286-Y302 HydrophobicContact CD2-CE1 4.31Å; L286-L318 HydrophobicContact CD1-CD1 4.1Å; L286-L318 HydrophobicContact CD1-CD2 3.75Å; L286-L318 HydrophobicContact CD1-CG 4.36Å; L286-V380 HydrophobicContact CD2-CG1 3.61Å; L286-V380 HydrophobicContact CD2-CG2 4.32Å; L286-I382 HydrophobicContact CD1-CD1 4.28Å; L286-I407 HydrophobicContact CD2-CG2 4.03Å; L286-F409 HydrophobicContact CD2-CD2 4.34Å; L286-F409 HydrophobicContact CD2-CE2 3.68Å; L286-F409 HydrophobicContact CD2-CZ 4.05Å; L286-F409 HydrophobicContact CG-CE2 4.32Å; L286-F409 HydrophobicContact CG-CZ 4.19Å |
| 287 | I | 98.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 29.8 Ų | 29.8 | 17% | 0.174 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 169.7 | -63.3 | 162.8 | 0 | 0 | 0 | 109.2 | V283 S284 S290 I297 A487 K488 S491 | V283-I287 HydrophobicContact CG1-CD1 3.95Å; V283-I287 HydrophobicContact CG1-CG1 4.29Å; V283-I287 VanDerWaalsContact O-CG1 3.27Å; V283-I287 WeakPolarHBondContact O-CG1 3.33Å; V283-I287 PolarHBondContact O-N 3.07Å; S284-I287 PolarHBondContact O-N 3.25Å; I287-S290 VanDerWaalsContact O-CB 3.24Å; I287-S290 WeakPolarHBondContact O-CB 3.27Å; I287-S290 PolarHBondContact O-N 3Å; I287-I297 HydrophobicContact CB-CD1 4.3Å; I287-I297 HydrophobicContact CG1-CD1 3.39Å; I287-A487 HydrophobicContact CD1-CB 4.21Å; I287-K488 HydrophobicContact CD1-CG 3.81Å; I287-S491 VanDerWaalsContact CG2-OG 3.3Å; I287-S491 WeakPolarHBondContact CG2-OG 3.28Å |
| 288 | T | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 177.6 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | S284 G285 L286 S290 R291 S491 V494 I499 M504 | S284-T288 PolarHBondContact O-N 3.42Å; S284-T288 PolarHBondContact O-OG1 3.36Å; G285-T288 PolarHBondContact O-N 3.17Å; L286-T288 VanDerWaalsContact C-N 3.29Å; L286-T288 PolarHBondContact O-N 3.01Å; T288-S290 PolarHBondContact O-N 3.35Å; T288-R291 VanDerWaalsContact O-CB 3.31Å; T288-R291 WeakPolarHBondContact O-CB 3.04Å; T288-R291 PolarHBondContact O-N 3.1Å; T288-S491 WeakPolarHBondContact CA-OG 3.31Å; T288-S491 PolarHBondContact N-OG 2.87Å; T288-S491 WeakPolarHBondContact OG1-CB 3.28Å; T288-S491 PolarHBondContact OG1-OG 3.04Å; T288-V494 HydrophobicContact CG2-CB 4.03Å; T288-V494 HydrophobicContact CG2-CG1 3.82Å; T288-V494 HydrophobicContact CG2-CG2 4.01Å; T288-I499 HydrophobicContact CG2-CD1 4.18Å; T288-I499 HydrophobicContact CG2-CG1 4.19Å; T288-M504 WeakPolarHBondContact CB-O 3.37Å; T288-M504 HydrophobicContact CG2-CB 4.35Å; T288-M504 HydrophobicContact CG2-SD 4.22Å; T288-M504 PolarHBondContact OG1-O 3.4Å |
| 289 | A | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.8 | -32.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G285 L286 R291 V292 T293 I407 I434 M504 | G285-A289 WeakPolarHBondContact O-CB 3.47Å; G285-A289 PolarHBondContact O-N 3.36Å; L286-A289 PolarHBondContact O-N 3.05Å; A289-R291 PolarHBondContact O-N 2.81Å; A289-V292 WeakPolarHBondContact O-CA 3.42Å; A289-V292 WeakPolarHBondContact O-CB 3.39Å; A289-V292 PolarHBondContact O-N 3Å; A289-T293 PolarHBondContact O-N 3.36Å; A289-T293 PolarHBondContact O-OG1 2.78Å; A289-I407 HydrophobicContact CB-CD1 3.82Å; A289-I407 HydrophobicContact CB-CG1 4.34Å; A289-I407 HydrophobicContact CB-CG2 4.49Å; A289-I434 HydrophobicContact CB-CD1 3.95Å; A289-M504 HydrophobicContact CB-SD 4Å |
| 290 | S | 97.1 | Very high | 97.4 | Very high | 20 Ų | 20 | 34.5 Ų | 34.5 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -33 | 175.5 | -57.6 | 0 | 0 | 0 | 0 | 112.4 | L286 I287 T288 V292 Q294 K295 | L286-S290 PolarHBondContact O-N 2.94Å; L286-S290 PolarHBondContact O-OG 3.19Å; I287-S290 VanDerWaalsContact O-CB 3.24Å; I287-S290 WeakPolarHBondContact O-CB 3.27Å; I287-S290 PolarHBondContact O-N 3Å; T288-S290 PolarHBondContact O-N 3.35Å; S290-V292 VanDerWaalsContact C-N 3.27Å; S290-V292 PolarHBondContact O-N 3.34Å; S290-Q294 WeakPolarHBondContact O-CA 3.42Å; S290-Q294 PolarHBondContact O-N 3.32Å; S290-K295 WeakPolarHBondContact CA-O 3.34Å; S290-K295 WeakPolarHBondContact CB-O 3.43Å; S290-K295 PolarHBondContact O-N 2.85Å; S290-K295 PolarHBondContact OG-O 3.45Å |
| 291 | R | 95.8 | Very high | 97.4 | Very high | 88 Ų | 88 | 36.8 Ų | 36.8 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.1 | -26.8 | 172.7 | -63.6 | 168 | 58.2 | -176.9 | -3 | 112.6 | T288 A289 Q294 S491 V494 D496 I499 | T288-R291 VanDerWaalsContact O-CB 3.31Å; T288-R291 WeakPolarHBondContact O-CB 3.04Å; T288-R291 PolarHBondContact O-N 3.1Å; A289-R291 PolarHBondContact O-N 2.81Å; R291-Q294 PolarHBondContact O-NE2 2.87Å; R291-S491 PolarHBondContact NH1-O 2.82Å; R291-V494 PolarHBondContact NH1-O 3.05Å; R291-V494 PolarHBondContact NH2-O 3.32Å; R291-D496 IonicContact NH2-OD1 3.4Å; R291-D496 PolarHBondContact NH2-OD1 3.48Å; R291-I499 HydrophobicContact CB-CD1 4.29Å |
| 292 | V | 95 | Very high | 97.4 | Very high | 59 Ų | 59 | 36.8 Ų | 36.8 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -87.4 | -45.5 | -179.9 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | A289 S290 Q294 I434 I499 M504 | A289-V292 WeakPolarHBondContact O-CA 3.42Å; A289-V292 WeakPolarHBondContact O-CB 3.39Å; A289-V292 PolarHBondContact O-N 3Å; S290-V292 VanDerWaalsContact C-N 3.27Å; S290-V292 PolarHBondContact O-N 3.34Å; V292-Q294 VanDerWaalsContact C-N 3.31Å; V292-I434 HydrophobicContact CB-CD1 3.73Å; V292-I434 HydrophobicContact CG1-CD1 3.78Å; V292-I434 HydrophobicContact CG1-CG1 4.36Å; V292-I434 HydrophobicContact CG2-CD1 4.35Å; V292-I499 HydrophobicContact CG2-CG2 3.58Å; V292-M504 HydrophobicContact CG2-CE 3.94Å; V292-M504 HydrophobicContact CG2-SD 4.29Å |
| 293 | T | 96.2 | Very high | 97.5 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 17% | 0.172 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -79.3 | -14.9 | -179 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | A289 K295 T405 I407 I434 | A289-T293 PolarHBondContact O-N 3.36Å; A289-T293 PolarHBondContact O-OG1 2.78Å; T293-K295 PolarHBondContact O-N 3.13Å; T293-T405 HydrophobicContact CG2-CG2 4.01Å; T293-I407 HydrophobicContact CG2-CD1 3.97Å; T293-I407 HydrophobicContact CG2-CG1 4.22Å; T293-I434 HydrophobicContact CG2-CD1 3.92Å |
| 294 | Q | 95.4 | Very high | 97.4 | Very high | 159 Ų | 159 | 36.7 Ų | 36.7 | 74% | 0.743 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 38.4 | -173.1 | -58.7 | -68.6 | -36.1 | 0 | 0 | 111.5 | S290 R291 V292 | S290-Q294 WeakPolarHBondContact O-CA 3.42Å; S290-Q294 PolarHBondContact O-N 3.32Å; R291-Q294 PolarHBondContact O-NE2 2.87Å; V292-Q294 VanDerWaalsContact C-N 3.31Å |
| 295 | K | 96.1 | Very high | 97.4 | Very high | 79 Ų | 79 | 38.6 Ų | 38.6 | 34% | 0.343 | 18% | 0.183 | S | C | . | . | trans | -127.4 | 133.4 | 176.7 | -71.1 | -175.2 | 171.9 | -172.5 | 0 | 108 | S290 T293 E299 | S290-K295 WeakPolarHBondContact CA-O 3.34Å; S290-K295 WeakPolarHBondContact CB-O 3.43Å; S290-K295 PolarHBondContact O-N 2.85Å; S290-K295 PolarHBondContact OG-O 3.45Å; T293-K295 PolarHBondContact O-N 3.13Å; K295-E299 WeakPolarHBondContact CA-OE2 3.45Å; K295-E299 HydrophobicContact CB-CB 4.31Å | ||
| 296 | K | 96.9 | Very high | 97.3 | Very high | 126 Ų | 126 | 39.1 Ų | 39.1 | 55% | 0.548 | 19% | 0.188 | S | C | . | . | trans | -64.4 | 162.8 | 173 | -63.8 | -176.6 | 179.1 | -179.2 | 0 | 111.1 | S298 E299 N300 E325 | K296-S298 VanDerWaalsContact C-N 3.28Å; K296-S298 PolarHBondContact O-N 2.89Å; K296-E299 HydrophobicContact CB-CG 4.14Å; K296-E299 WeakPolarHBondContact CB-OE2 3.47Å; K296-E299 PolarHBondContact N-OE2 3.49Å; K296-E299 PolarHBondContact O-N 3.08Å; K296-N300 PolarHBondContact O-ND2 2.83Å; K296-E325 WeakPolarHBondContact CB-OE2 3.36Å | ||
| 297 | I | 97.6 | Very high | 96.9 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 5% | 0.046 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -61.7 | -42.6 | 177.6 | -69.8 | 175.7 | 0 | 0 | 0 | 109.5 | I287 E299 N300 Y302 L318 A321 I322 E325 | I287-I297 HydrophobicContact CB-CD1 4.3Å; I287-I297 HydrophobicContact CG1-CD1 3.39Å; I297-E299 PolarHBondContact O-N 2.66Å; I297-E299 VanDerWaalsContact O-N 3.11Å; I297-N300 PolarHBondContact O-N 3.41Å; I297-Y302 WeakPolarHBondContact CA-OH 3.46Å; I297-Y302 WeakPolarHBondContact CG2-OH 3.22Å; I297-Y302 PolarHBondContact O-OH 3.36Å; I297-L318 HydrophobicContact CG2-CD2 4.16Å; I297-A321 HydrophobicContact CD1-CB 4.24Å; I297-A321 HydrophobicContact CG2-CB 4.38Å; I297-I322 HydrophobicContact CG2-CD1 4.39Å; I297-I322 HydrophobicContact CG2-CG1 3.61Å; I297-E325 PolarHBondContact N-OE1 3.07Å; I297-E325 VanDerWaalsContact N-OE1 3.13Å |
| 298 | S | 97.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -61.7 | -16.9 | 175.5 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | K296 N300 E325 F327 R335 | K296-S298 VanDerWaalsContact C-N 3.28Å; K296-S298 PolarHBondContact O-N 2.89Å; S298-N300 VanDerWaalsContact C-N 3.28Å; S298-N300 PolarHBondContact O-N 3Å; S298-E325 WeakPolarHBondContact CB-OE2 3.47Å; S298-E325 PolarHBondContact N-OE2 2.89Å; S298-E325 PolarHBondContact OG-OE2 3.34Å; S298-F327 VanDerWaalsContact OG-CE2 3.25Å; S298-F327 WeakPolarHBondContact OG-CE2 3.22Å; S298-R335 WeakPolarHBondContact O-CD 3.48Å; S298-R335 PolarHBondContact O-NE 3.47Å; S298-R335 PolarHBondContact O-NH1 3.19Å; S298-R335 PolarHBondContact O-NH2 3.5Å |
| 299 | E | 97.3 | Very high | 96.1 | Very high | 109 Ų | 109 | 38.5 Ų | 38.5 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -86.7 | 2.3 | -179.3 | -67.1 | 179.3 | 98.4 | 0 | 0 | 113.4 | K295 K296 I297 | K295-E299 WeakPolarHBondContact CA-OE2 3.45Å; K295-E299 HydrophobicContact CB-CB 4.31Å; K296-E299 HydrophobicContact CB-CG 4.14Å; K296-E299 WeakPolarHBondContact CB-OE2 3.47Å; K296-E299 PolarHBondContact N-OE2 3.49Å; K296-E299 PolarHBondContact O-N 3.08Å; I297-E299 PolarHBondContact O-N 2.66Å; I297-E299 VanDerWaalsContact O-N 3.11Å |
| 300 | N | 98.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | trans | -106.1 | 147.6 | -177.9 | -66.8 | -73.1 | 0 | 0 | 0 | 112.1 | K296 I297 S298 Y302 S379 V380 | K296-N300 PolarHBondContact O-ND2 2.83Å; I297-N300 PolarHBondContact O-N 3.41Å; S298-N300 VanDerWaalsContact C-N 3.28Å; S298-N300 PolarHBondContact O-N 3Å; N300-Y302 HydrophobicContact CB-CD2 4.45Å; N300-Y302 HydrophobicContact CB-CE1 4.24Å; N300-Y302 HydrophobicContact CB-CE2 3.77Å; N300-S379 WeakPolarHBondContact CA-OG 3.28Å; N300-S379 VanDerWaalsContact CB-OG 3.23Å; N300-S379 WeakPolarHBondContact CB-OG 3.45Å; N300-S379 VanDerWaalsContact CG-OG 3.31Å; N300-S379 WeakPolarHBondContact OD1-CB 3.44Å; N300-S379 PolarHBondContact OD1-OG 3.35Å; N300-V380 HydrophobicContact CB-CG2 4Å | ||
| 301 | N | 98.3 | Very high | 95.8 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | trans | -100.5 | 129.7 | 161.1 | -77 | -9.4 | 0 | 0 | 0 | 108 | R335 F337 I376 P378 S379 V380 | N301-R335 WeakPolarHBondContact CA-O 3.22Å; N301-F337 HydrophobicContact CB-CE2 4.38Å; N301-I376 HydrophobicContact CB-CG2 4.41Å; N301-I376 PolarHBondContact ND2-O 2.94Å; N301-I376 VanDerWaalsContact ND2-O 3.14Å; N301-P378 WeakPolarHBondContact O-CA 3.5Å; N301-P378 WeakPolarHBondContact O-CB 3.31Å; N301-S379 PolarHBondContact N-OG 3.5Å; N301-S379 PolarHBondContact O-N 3.22Å; N301-S379 VanDerWaalsContact O-N 3.1Å; N301-V380 PolarHBondContact O-N 3.42Å | ||
| 302 | Y | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.3 | -174.6 | -60.5 | -89.9 | 0 | 0 | 0 | 110.2 | L286 I297 N300 L318 I322 R335 I336 F337 V380 | L286-Y302 HydrophobicContact CD1-CD1 4.4Å; L286-Y302 HydrophobicContact CD1-CE1 3.96Å; L286-Y302 HydrophobicContact CD2-CE1 4.31Å; I297-Y302 WeakPolarHBondContact CA-OH 3.46Å; I297-Y302 WeakPolarHBondContact CG2-OH 3.22Å; I297-Y302 PolarHBondContact O-OH 3.36Å; N300-Y302 HydrophobicContact CB-CD2 4.45Å; N300-Y302 HydrophobicContact CB-CE1 4.24Å; N300-Y302 HydrophobicContact CB-CE2 3.77Å; Y302-L318 HydrophobicContact CD1-CD1 3.8Å; Y302-L318 HydrophobicContact CE1-CD1 4.05Å; Y302-L318 HydrophobicContact CE1-CD2 4.11Å; Y302-L318 HydrophobicContact CG-CD1 4.07Å; Y302-I322 HydrophobicContact CE2-CD1 4.16Å; Y302-R335 PolarHBondContact N-O 3.33Å; Y302-I336 HydrophobicContact CD2-CG1 4.28Å; Y302-F337 WeakPolarHBondContact O-CB 3.49Å; Y302-F337 PolarHBondContact O-N 3.5Å; Y302-V380 HydrophobicContact CD1-CB 3.64Å; Y302-V380 HydrophobicContact CD1-CG1 3.77Å; Y302-V380 HydrophobicContact CD1-CG2 3.85Å; Y302-V380 HydrophobicContact CE1-CB 4.02Å; Y302-V380 HydrophobicContact CE1-CG1 4.14Å; Y302-V380 HydrophobicContact CE1-CG2 3.69Å; Y302-V380 HydrophobicContact CG-CB 4.44Å |
| 303 | L | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.8 | 172.8 | -177.9 | 59.3 | 0 | 0 | 0 | 110.3 | F337 M339 L369 A372 I373 I376 P378 V380 L381 I382 | L303-F337 CarbonylContact C-O 3.5Å; L303-F337 WeakPolarHBondContact CA-O 3.34Å; L303-F337 HydrophobicContact CD1-CB 3.74Å; L303-M339 HydrophobicContact CD1-CG 3.99Å; L303-M339 HydrophobicContact CD1-SD 4.26Å; L303-L369 HydrophobicContact CD2-CD1 3.71Å; L303-L369 HydrophobicContact CG-CD1 4.46Å; L303-A372 HydrophobicContact CD2-CB 4.17Å; L303-I373 HydrophobicContact CD2-CG1 3.82Å; L303-I376 HydrophobicContact CD1-CD1 4.04Å; L303-P378 HydrophobicContact CB-CB 3.65Å; L303-P378 HydrophobicContact CB-CG 3.73Å; L303-P378 HydrophobicContact CD2-CG 3.88Å; L303-P378 HydrophobicContact CG-CG 4.48Å; L303-V380 PolarHBondContact N-O 3.46Å; L303-L381 HydrophobicContact CB-CD1 4.22Å; L303-L381 HydrophobicContact CD2-CD1 4.15Å; L303-L381 HydrophobicContact CG-CD1 4.08Å; L303-L381 WeakPolarHBondContact O-CA 3.44Å; L303-I382 PolarHBondContact O-N 3.11Å |
| 304 | F | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 128.7 | 172.5 | -66.7 | -100.4 | 0 | 0 | 0 | 109.8 | I314 A315 L318 I336 F337 I338 M339 I382 | F304-I314 HydrophobicContact CE1-CB 3.86Å; F304-I314 HydrophobicContact CE1-CD1 4.24Å; F304-I314 HydrophobicContact CE1-CG2 3.71Å; F304-I314 HydrophobicContact CZ-CB 4.13Å; F304-I314 HydrophobicContact CZ-CG2 3.68Å; F304-A315 HydrophobicContact CE2-CB 4.48Å; F304-A315 HydrophobicContact CZ-CB 4.5Å; F304-L318 HydrophobicContact CE2-CD1 4.22Å; F304-L318 HydrophobicContact CZ-CD1 3.83Å; F304-I336 HydrophobicContact CD2-CG2 4.13Å; F304-I336 HydrophobicContact CE2-CG2 3.86Å; F304-F337 PolarHBondContact N-O 2.96Å; F304-I338 HydrophobicContact CB-CB 4.34Å; F304-I338 HydrophobicContact CB-CG1 4.12Å; F304-I338 HydrophobicContact CB-CG2 4.14Å; F304-I338 HydrophobicContact CD2-CG1 4.01Å; F304-I338 HydrophobicContact CG-CG1 4.29Å; F304-M339 PolarHBondContact O-N 3.06Å; F304-I382 CarbonylContact C-O 3.57Å; F304-I382 WeakPolarHBondContact CA-O 3.35Å; F304-I382 HydrophobicContact CD1-CB 3.84Å; F304-I382 HydrophobicContact CD1-CD1 4.1Å; F304-I382 HydrophobicContact CD1-CG2 3.86Å; F304-I382 HydrophobicContact CE1-CB 4.08Å; F304-I382 HydrophobicContact CE1-CD1 3.49Å; F304-I382 VanDerWaalsContact CE1-CD1 3.49Å; F304-I382 HydrophobicContact CE1-CG1 4.36Å; F304-I382 HydrophobicContact CE1-CG2 3.97Å; F304-I382 HydrophobicContact CE2-CD1 4.2Å; F304-I382 HydrophobicContact CG-CB 4.4Å; F304-I382 HydrophobicContact CZ-CD1 3.55Å |
| 305 | Y | 97.9 | Very high | 96.1 | Very high | 40 Ų | 40 | 23.3 Ų | 23.3 | 16% | 0.157 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 99.2 | 170.3 | -170.2 | -104.1 | 0 | 0 | 0 | 109.3 | M339 L369 I382 A384 S385 Q387 A390 F391 E419 | Y305-M339 HydrophobicContact CD2-CB 4.32Å; Y305-M339 HydrophobicContact CD2-SD 4.39Å; Y305-L369 HydrophobicContact CD2-CB 4.27Å; Y305-L369 HydrophobicContact CD2-CD1 4Å; Y305-L369 HydrophobicContact CD2-CD2 3.77Å; Y305-L369 HydrophobicContact CD2-CG 4.24Å; Y305-L369 HydrophobicContact CE2-CB 4.07Å; Y305-L369 HydrophobicContact CE2-CD2 4.01Å; Y305-L369 HydrophobicContact CE2-CG 4.47Å; Y305-L369 HydrophobicContact CG-CD2 4.1Å; Y305-I382 PolarHBondContact N-O 3.1Å; Y305-A384 CarbonylContact O-C 3.59Å; Y305-A384 PolarHBondContact O-N 2.84Å; Y305-S385 WeakPolarHBondContact CD1-OG 3.27Å; Y305-S385 WeakPolarHBondContact CE1-OG 3.09Å; Y305-S385 PolarHBondContact O-N 2.78Å; Y305-Q387 PolarHBondContact OH-OE1 3.34Å; Y305-A390 HydrophobicContact CD1-CB 4.13Å; Y305-A390 HydrophobicContact CE1-CB 3.43Å; Y305-A390 VanDerWaalsContact CE1-CB 3.43Å; Y305-F391 AromaticContact CD1-CE1 3.98Å; Y305-F391 HydrophobicContact CD1-CE1 3.98Å; Y305-F391 AromaticContact CG-CE1 3.93Å; Y305-F391 HydrophobicContact CG-CE1 3.93Å; Y305-E419 HydrophobicContact CD1-CG 4.14Å |
| 306 | G | 95.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 23 Ų | 23 | 11% | 0.113 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 118.6 | 115.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | G308 S311 M339 | G306-G308 PolarHBondContact O-N 3.36Å; G306-S311 WeakPolarHBondContact O-CB 3.18Å; G306-S311 PolarHBondContact O-OG 2.86Å; G306-M339 CarbonylContact C-O 3.53Å; G306-M339 VanDerWaalsContact CA-O 3.25Å; G306-M339 WeakPolarHBondContact CA-O 3.19Å; G306-M339 PolarHBondContact N-O 3.47Å |
| 307 | G | 91.6 | Very high | 96.2 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 12% | 0.124 | 9% | 0.093 | C | C | . | . | trans | -98.1 | 45.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | M339 K355 | G307-M339 PolarHBondContact N-O 3.47Å; G307-M339 VanDerWaalsContact N-O 3.11Å; G307-K355 WeakPolarHBondContact O-CE 3.35Å | ||
| 308 | G | 89.8 | Confident | 96.3 | Very high | 11 Ų | 11 | 16.7 Ų | 16.7 | 11% | 0.113 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -91.1 | -176 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N254 G306 A310 S311 I312 | N254-G308 VanDerWaalsContact ND2-CA 3.32Å; N254-G308 WeakPolarHBondContact ND2-CA 3.33Å; G306-G308 PolarHBondContact O-N 3.36Å; G308-A310 PolarHBondContact O-N 2.88Å; G308-S311 PolarHBondContact O-N 2.98Å; G308-I312 WeakPolarHBondContact O-CG1 3.4Å; G308-I312 PolarHBondContact O-N 3.35Å; G308-I312 VanDerWaalsContact O-N 3.14Å |
| 309 | G | 90 | Very high | 96.3 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.2 | -43.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N254 S311 I312 G313 | N254-G309 VanDerWaalsContact CG-N 3.31Å; N254-G309 PolarHBondContact ND2-N 2.82Å; N254-G309 PolarHBondContact OD1-N 3.45Å; G309-S311 PolarHBondContact O-N 2.66Å; G309-I312 PolarHBondContact O-N 3.27Å; G309-G313 PolarHBondContact O-N 3.29Å |
| 310 | A | 92.2 | Very high | 96.3 | Very high | 27 Ų | 27 | 13.8 Ų | 13.8 | 22% | 0.223 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.3 | -50.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | D274 G308 I312 G313 I314 | D274-A310 VanDerWaalsContact O-CA 3.26Å; D274-A310 WeakPolarHBondContact O-CA 3.31Å; G308-A310 PolarHBondContact O-N 2.88Å; A310-I312 PolarHBondContact O-N 2.97Å; A310-G313 PolarHBondContact O-N 3.24Å; A310-I314 WeakPolarHBondContact O-CD1 3.37Å; A310-I314 WeakPolarHBondContact O-CG1 3.39Å; A310-I314 PolarHBondContact O-N 2.97Å |
| 311 | S | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | -178.9 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | G306 G308 G309 I314 A315 A384 | G306-S311 WeakPolarHBondContact O-CB 3.18Å; G306-S311 PolarHBondContact O-OG 2.86Å; G308-S311 PolarHBondContact O-N 2.98Å; G309-S311 PolarHBondContact O-N 2.66Å; S311-I314 PolarHBondContact O-N 3.13Å; S311-A315 WeakPolarHBondContact O-CB 3.37Å; S311-A315 PolarHBondContact O-N 2.84Å; S311-A384 WeakPolarHBondContact OG-CB 3.21Å |
| 312 | I | 95.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 177 | -61.5 | -60.5 | 0 | 0 | 0 | 111 | F258 G308 G309 A310 A315 R316 I338 A354 F358 | F258-I312 HydrophobicContact CE1-CG2 4.14Å; F258-I312 HydrophobicContact CE2-CB 4.49Å; F258-I312 HydrophobicContact CZ-CB 3.82Å; F258-I312 HydrophobicContact CZ-CG2 3.77Å; G308-I312 WeakPolarHBondContact O-CG1 3.4Å; G308-I312 PolarHBondContact O-N 3.35Å; G308-I312 VanDerWaalsContact O-N 3.14Å; G309-I312 PolarHBondContact O-N 3.27Å; A310-I312 PolarHBondContact O-N 2.97Å; I312-A315 PolarHBondContact O-N 3.46Å; I312-R316 WeakPolarHBondContact O-CG 3.5Å; I312-R316 PolarHBondContact O-N 3.07Å; I312-I338 HydrophobicContact CD1-CD1 3.81Å; I312-A354 HydrophobicContact CG2-CB 4.41Å; I312-F358 HydrophobicContact CD1-CD2 3.98Å; I312-F358 HydrophobicContact CG2-CE2 4.43Å |
| 313 | G | 96.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 5% | 0.052 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I275 A279 G309 A310 R316 L317 | I275-G313 WeakPolarHBondContact O-CA 3.19Å; A279-G313 VanDerWaalsContact CB-C 3.49Å; A279-G313 WeakPolarHBondContact CB-O 3.39Å; G309-G313 PolarHBondContact O-N 3.29Å; A310-G313 PolarHBondContact O-N 3.24Å; G313-R316 PolarHBondContact O-N 3.47Å; G313-L317 PolarHBondContact O-N 3.44Å; G313-L317 VanDerWaalsContact O-N 3.17Å |
| 314 | I | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 176.7 | -61.4 | 157.9 | 0 | 0 | 0 | 110.2 | A279 I282 V283 F304 A310 S311 R316 L317 L318 L411 | A279-I314 HydrophobicContact CB-CG1 4.41Å; I282-I314 HydrophobicContact CB-CD1 3.98Å; I282-I314 HydrophobicContact CB-CG1 3.99Å; I282-I314 HydrophobicContact CB-CG2 4.05Å; I282-I314 HydrophobicContact CG1-CD1 3.63Å; I282-I314 HydrophobicContact CG1-CG1 4.06Å; I282-I314 HydrophobicContact CG2-CD1 4.19Å; I282-I314 HydrophobicContact CG2-CG1 4.42Å; I282-I314 HydrophobicContact CG2-CG2 3.79Å; V283-I314 HydrophobicContact CG2-CG2 4.43Å; F304-I314 HydrophobicContact CE1-CB 3.86Å; F304-I314 HydrophobicContact CE1-CD1 4.24Å; F304-I314 HydrophobicContact CE1-CG2 3.71Å; F304-I314 HydrophobicContact CZ-CB 4.13Å; F304-I314 HydrophobicContact CZ-CG2 3.68Å; A310-I314 WeakPolarHBondContact O-CD1 3.37Å; A310-I314 WeakPolarHBondContact O-CG1 3.39Å; A310-I314 PolarHBondContact O-N 2.97Å; S311-I314 PolarHBondContact O-N 3.13Å; I314-R316 PolarHBondContact O-N 3.37Å; I314-L317 PolarHBondContact O-N 3.48Å; I314-L318 HydrophobicContact CG2-CD1 4.03Å; I314-L318 HydrophobicContact CG2-CG 4.29Å; I314-L318 WeakPolarHBondContact O-CB 3.44Å; I314-L318 WeakPolarHBondContact O-CG 3.28Å; I314-L318 PolarHBondContact O-N 3.06Å; I314-L411 HydrophobicContact CD1-CD1 3.6Å |
| 315 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F304 S311 I312 L317 L318 V319 I336 I338 F358 | F304-A315 HydrophobicContact CE2-CB 4.48Å; F304-A315 HydrophobicContact CZ-CB 4.5Å; S311-A315 WeakPolarHBondContact O-CB 3.37Å; S311-A315 PolarHBondContact O-N 2.84Å; I312-A315 PolarHBondContact O-N 3.46Å; A315-L317 VanDerWaalsContact C-N 3.35Å; A315-L317 PolarHBondContact O-N 2.99Å; A315-L318 PolarHBondContact O-N 3.11Å; A315-V319 WeakPolarHBondContact O-CG2 3.42Å; A315-V319 PolarHBondContact O-N 2.87Å; A315-I336 HydrophobicContact CB-CD1 4.42Å; A315-I336 HydrophobicContact CB-CG2 4Å; A315-I338 HydrophobicContact CB-CD1 4.09Å; A315-F358 HydrophobicContact CB-CD1 4.17Å; A315-F358 HydrophobicContact CB-CD2 4.18Å; A315-F358 HydrophobicContact CB-CE1 3.69Å; A315-F358 HydrophobicContact CB-CE2 3.69Å; A315-F358 HydrophobicContact CB-CG 4.41Å; A315-F358 HydrophobicContact CB-CZ 3.43Å; A315-F358 VanDerWaalsContact CB-CZ 3.43Å |
| 316 | R | 97.2 | Very high | 96.2 | Very high | 73 Ų | 73 | 25.4 Ų | 25.4 | 28% | 0.275 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60 | -42.3 | 175.5 | -76.9 | 173.1 | 175.6 | 171.8 | 0.2 | 112.8 | I312 G313 I314 Q320 E357 F358 | I312-R316 WeakPolarHBondContact O-CG 3.5Å; I312-R316 PolarHBondContact O-N 3.07Å; G313-R316 PolarHBondContact O-N 3.47Å; I314-R316 PolarHBondContact O-N 3.37Å; R316-Q320 PolarHBondContact O-N 3.44Å; R316-E357 WeakPolarHBondContact CG-OE1 3.37Å; R316-E357 IonicContact CZ-OE2 2.81Å; R316-E357 IonicContact NE-OE1 3.34Å; R316-E357 PolarHBondContact NE-OE1 3.25Å; R316-E357 IonicContact NE-OE2 3.44Å; R316-E357 PolarHBondContact NE-OE2 3.1Å; R316-E357 IonicContact NH2-OE2 2.72Å; R316-E357 PolarHBondContact NH2-OE2 3.3Å; R316-F358 HydrophobicContact CG-CE2 4.07Å; R316-F358 HydrophobicContact CG-CZ 4.05Å |
| 317 | L | 98.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.2 | -34.1 | 178.7 | -167.5 | 63.3 | 0 | 0 | 0 | 112 | A279 V280 V283 G313 I314 A315 Q320 A321 N480 L483 L484 | A279-L317 HydrophobicContact CB-CB 3.94Å; A279-L317 HydrophobicContact CB-CD2 3.85Å; V280-L317 HydrophobicContact CG2-CD2 4.29Å; V283-L317 HydrophobicContact CB-CD2 3.95Å; V283-L317 HydrophobicContact CB-CG 4.32Å; V283-L317 HydrophobicContact CG1-CD2 4.41Å; V283-L317 HydrophobicContact CG1-CG 4.43Å; V283-L317 HydrophobicContact CG2-CB 3.93Å; V283-L317 HydrophobicContact CG2-CD2 3.85Å; V283-L317 HydrophobicContact CG2-CG 3.89Å; G313-L317 PolarHBondContact O-N 3.44Å; G313-L317 VanDerWaalsContact O-N 3.17Å; I314-L317 PolarHBondContact O-N 3.48Å; A315-L317 VanDerWaalsContact C-N 3.35Å; A315-L317 PolarHBondContact O-N 2.99Å; L317-Q320 PolarHBondContact O-N 3.22Å; L317-A321 PolarHBondContact O-N 3.08Å; L317-N480 HydrophobicContact CD1-CB 4.49Å; L317-L483 HydrophobicContact CD1-CB 3.73Å; L317-L483 HydrophobicContact CD2-CB 4.16Å; L317-L484 HydrophobicContact CD1-CB 3.91Å |
| 318 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.9 | -42.5 | 172.1 | -81.4 | 175.9 | 0 | 0 | 0 | 112.4 | V283 L286 I297 Y302 F304 I314 A315 Q320 A321 I322 I336 | V283-L318 HydrophobicContact CG2-CD2 3.91Å; V283-L318 HydrophobicContact CG2-CG 3.88Å; L286-L318 HydrophobicContact CD1-CD1 4.1Å; L286-L318 HydrophobicContact CD1-CD2 3.75Å; L286-L318 HydrophobicContact CD1-CG 4.36Å; I297-L318 HydrophobicContact CG2-CD2 4.16Å; Y302-L318 HydrophobicContact CD1-CD1 3.8Å; Y302-L318 HydrophobicContact CE1-CD1 4.05Å; Y302-L318 HydrophobicContact CE1-CD2 4.11Å; Y302-L318 HydrophobicContact CG-CD1 4.07Å; F304-L318 HydrophobicContact CE2-CD1 4.22Å; F304-L318 HydrophobicContact CZ-CD1 3.83Å; I314-L318 HydrophobicContact CG2-CD1 4.03Å; I314-L318 HydrophobicContact CG2-CG 4.29Å; I314-L318 WeakPolarHBondContact O-CB 3.44Å; I314-L318 WeakPolarHBondContact O-CG 3.28Å; I314-L318 PolarHBondContact O-N 3.06Å; A315-L318 PolarHBondContact O-N 3.11Å; L318-Q320 VanDerWaalsContact C-N 3.25Å; L318-Q320 PolarHBondContact O-N 2.93Å; L318-A321 PolarHBondContact O-N 2.98Å; L318-A321 VanDerWaalsContact O-N 3.15Å; L318-I322 VanDerWaalsContact O-CG1 3.31Å; L318-I322 WeakPolarHBondContact O-CG1 3.31Å; L318-I322 PolarHBondContact O-N 3.03Å; L318-I336 HydrophobicContact CB-CD1 3.96Å |
| 319 | V | 98.4 | Very high | 97 | Very high | 8 Ų | 8 | 33.5 Ų | 33.5 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -53.6 | -48.9 | 173.9 | 166.4 | 0 | 0 | 0 | 0 | 109.8 | A315 A321 I322 M323 E329 A332 K333 I336 F358 | A315-V319 WeakPolarHBondContact O-CG2 3.42Å; A315-V319 PolarHBondContact O-N 2.87Å; V319-A321 PolarHBondContact O-N 3.44Å; V319-I322 PolarHBondContact O-N 3.47Å; V319-M323 HydrophobicContact CG1-CG 4.36Å; V319-M323 HydrophobicContact CG1-SD 3.72Å; V319-M323 VanDerWaalsContact O-CG 3.25Å; V319-M323 WeakPolarHBondContact O-CG 3.36Å; V319-M323 PolarHBondContact O-N 2.94Å; V319-E329 HydrophobicContact CG1-CG 3.96Å; V319-A332 HydrophobicContact CB-CB 4.36Å; V319-A332 HydrophobicContact CG1-CB 4.01Å; V319-A332 HydrophobicContact CG2-CB 4.43Å; V319-K333 HydrophobicContact CG2-CG 3.79Å; V319-I336 HydrophobicContact CG2-CD1 3.68Å; V319-F358 HydrophobicContact CG2-CE1 3.72Å; V319-F358 HydrophobicContact CG2-CZ 4.2Å |
| 320 | Q | 98.1 | Very high | 97.4 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 22% | 0.215 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | 178.7 | -165.4 | -176.1 | 22.8 | 0 | 0 | 113 | R316 L317 L318 I322 M323 E324 N480 K481 L484 | R316-Q320 PolarHBondContact O-N 3.44Å; L317-Q320 PolarHBondContact O-N 3.22Å; L318-Q320 VanDerWaalsContact C-N 3.25Å; L318-Q320 PolarHBondContact O-N 2.93Å; Q320-I322 VanDerWaalsContact C-N 3.32Å; Q320-I322 PolarHBondContact O-N 3.02Å; Q320-M323 PolarHBondContact O-N 3.24Å; Q320-E324 PolarHBondContact O-N 3.31Å; Q320-N480 PolarHBondContact OE1-O 3.07Å; Q320-K481 VanDerWaalsContact NE2-CA 3.28Å; Q320-K481 VanDerWaalsContact NE2-N 3.12Å; Q320-L484 HydrophobicContact CB-CD2 4.31Å; Q320-L484 HydrophobicContact CG-CD2 3.89Å |
| 321 | A | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 5% | 0.05 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V283 I297 L317 L318 V319 E324 L484 | V283-A321 HydrophobicContact CG1-CB 4.3Å; I297-A321 HydrophobicContact CD1-CB 4.24Å; I297-A321 HydrophobicContact CG2-CB 4.38Å; L317-A321 PolarHBondContact O-N 3.08Å; L318-A321 PolarHBondContact O-N 2.98Å; L318-A321 VanDerWaalsContact O-N 3.15Å; V319-A321 PolarHBondContact O-N 3.44Å; A321-E324 PolarHBondContact O-N 2.86Å; A321-L484 HydrophobicContact CB-CD1 3.79Å; A321-L484 HydrophobicContact CB-CD2 4.39Å |
| 322 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.5 | -40.8 | 176.7 | -65.1 | 163.7 | 0 | 0 | 0 | 111 | I297 Y302 L318 V319 Q320 E324 E325 F327 A332 | I297-I322 HydrophobicContact CG2-CD1 4.39Å; I297-I322 HydrophobicContact CG2-CG1 3.61Å; Y302-I322 HydrophobicContact CE2-CD1 4.16Å; L318-I322 VanDerWaalsContact O-CG1 3.31Å; L318-I322 WeakPolarHBondContact O-CG1 3.31Å; L318-I322 PolarHBondContact O-N 3.03Å; V319-I322 PolarHBondContact O-N 3.47Å; Q320-I322 VanDerWaalsContact C-N 3.32Å; Q320-I322 PolarHBondContact O-N 3.02Å; I322-E324 PolarHBondContact O-N 2.88Å; I322-E325 WeakPolarHBondContact O-CB 3.22Å; I322-E325 PolarHBondContact O-N 2.72Å; I322-F327 HydrophobicContact CG2-CB 3.85Å; I322-F327 HydrophobicContact CG2-CD2 4.04Å; I322-F327 HydrophobicContact CG2-CG 4.03Å; I322-A332 HydrophobicContact CB-CB 3.8Å; I322-A332 HydrophobicContact CD1-CB 4.38Å; I322-A332 HydrophobicContact CG2-CB 3.63Å |
| 323 | M | 98.3 | Very high | 97.8 | Very high | 76 Ų | 76 | 44.5 Ų | 44.5 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -33.6 | 176.4 | -71.4 | 172.1 | 71.9 | 0 | 0 | 112.3 | V319 Q320 E325 G326 F327 E329 A332 | V319-M323 HydrophobicContact CG1-CG 4.36Å; V319-M323 HydrophobicContact CG1-SD 3.72Å; V319-M323 VanDerWaalsContact O-CG 3.25Å; V319-M323 WeakPolarHBondContact O-CG 3.36Å; V319-M323 PolarHBondContact O-N 2.94Å; Q320-M323 PolarHBondContact O-N 3.24Å; M323-E325 PolarHBondContact O-N 2.74Å; M323-G326 PolarHBondContact O-N 2.9Å; M323-F327 WeakPolarHBondContact CA-O 3.38Å; M323-E329 HydrophobicContact CE-CB 4.15Å; M323-E329 HydrophobicContact SD-CB 3.96Å; M323-E329 HydrophobicContact SD-CG 4.19Å; M323-A332 HydrophobicContact CG-CB 4.17Å |
| 324 | E | 96.9 | Very high | 97.9 | Very high | 116 Ų | 116 | 46.7 Ų | 46.7 | 54% | 0.542 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68 | -19.8 | 175.7 | -157.9 | 177 | 169.2 | 0 | 0 | 113 | Q320 A321 I322 G326 L484 K488 | Q320-E324 PolarHBondContact O-N 3.31Å; A321-E324 PolarHBondContact O-N 2.86Å; I322-E324 PolarHBondContact O-N 2.88Å; E324-G326 PolarHBondContact O-N 2.95Å; E324-L484 WeakPolarHBondContact OE2-CD2 3.44Å; E324-K488 IonicContact OE1-NZ 3.74Å; E324-K488 PolarHBondContact OE1-NZ 3.25Å; E324-K488 WeakPolarHBondContact OE2-CE 3.49Å; E324-K488 IonicContact OE2-NZ 3.94Å; E324-K488 PolarHBondContact OE2-NZ 3.14Å |
| 325 | E | 97.4 | Very high | 97.9 | Very high | 67 Ų | 67 | 49.4 Ų | 49.4 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 2.5 | 170.1 | -62.1 | -177 | 171.2 | 0 | 0 | 113.1 | K296 I297 S298 I322 M323 F327 | K296-E325 WeakPolarHBondContact CB-OE2 3.36Å; I297-E325 PolarHBondContact N-OE1 3.07Å; I297-E325 VanDerWaalsContact N-OE1 3.13Å; S298-E325 WeakPolarHBondContact CB-OE2 3.47Å; S298-E325 PolarHBondContact N-OE2 2.89Å; S298-E325 PolarHBondContact OG-OE2 3.34Å; I322-E325 WeakPolarHBondContact O-CB 3.22Å; I322-E325 PolarHBondContact O-N 2.72Å; M323-E325 PolarHBondContact O-N 2.74Å; E325-F327 HydrophobicContact CB-CD2 4.23Å; E325-F327 HydrophobicContact CB-CE2 4.38Å |
| 326 | G | 97.7 | Very high | 97.9 | Very high | 70 Ų | 70 | 49.4 Ų | 49.4 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.5 | 10 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | M323 E324 | M323-G326 PolarHBondContact O-N 2.9Å; E324-G326 PolarHBondContact O-N 2.95Å |
| 327 | F | 98.1 | Very high | 97.9 | Very high | 58 Ų | 58 | 46 Ų | 46 | 25% | 0.254 | 25% | 0.248 | S | C | . | . | trans | -89.6 | 153.6 | 178.7 | -68.7 | -93.5 | 0 | 0 | 0 | 112.1 | S298 I322 M323 E325 E331 | S298-F327 VanDerWaalsContact OG-CE2 3.25Å; S298-F327 WeakPolarHBondContact OG-CE2 3.22Å; I322-F327 HydrophobicContact CG2-CB 3.85Å; I322-F327 HydrophobicContact CG2-CD2 4.04Å; I322-F327 HydrophobicContact CG2-CG 4.03Å; M323-F327 WeakPolarHBondContact CA-O 3.38Å; E325-F327 HydrophobicContact CB-CD2 4.23Å; E325-F327 HydrophobicContact CB-CE2 4.38Å; F327-E331 HydrophobicContact CB-CB 4.17Å; F327-E331 HydrophobicContact CD1-CB 4.05Å | ||
| 328 | S | 98.1 | Very high | 97.9 | Very high | 55 Ų | 55 | 45.9 Ų | 45.9 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | trans | -69.4 | 163.4 | 168.9 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | D330 E331 A332 | S328-D330 VanDerWaalsContact C-N 3.31Å; S328-D330 PolarHBondContact O-N 2.83Å; S328-E331 WeakPolarHBondContact CB-OE2 3.19Å; S328-E331 PolarHBondContact N-OE2 3.28Å; S328-E331 PolarHBondContact O-N 3.31Å; S328-E331 WeakPolarHBondContact OG-CB 3.41Å; S328-E331 VanDerWaalsContact OG-CD 3.29Å; S328-E331 WeakPolarHBondContact OG-CG 3.35Å; S328-E331 PolarHBondContact OG-N 2.83Å; S328-E331 PolarHBondContact OG-OE2 2.68Å; S328-A332 WeakPolarHBondContact O-CB 3.1Å; S328-A332 PolarHBondContact O-N 2.97Å | ||
| 329 | E | 97.6 | Very high | 97.9 | Very high | 91 Ų | 91 | 46 Ų | 46 | 43% | 0.425 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61 | -40.2 | 176.9 | -171.8 | 177.3 | 164.2 | 0 | 0 | 112 | V319 M323 A332 K333 | V319-E329 HydrophobicContact CG1-CG 3.96Å; M323-E329 HydrophobicContact CE-CB 4.15Å; M323-E329 HydrophobicContact SD-CB 3.96Å; M323-E329 HydrophobicContact SD-CG 4.19Å; E329-A332 PolarHBondContact O-N 2.94Å; E329-K333 HydrophobicContact CG-CD 4.3Å; E329-K333 WeakPolarHBondContact O-CB 3.46Å; E329-K333 WeakPolarHBondContact O-CG 3.11Å; E329-K333 PolarHBondContact O-N 3.32Å; E329-K333 WeakPolarHBondContact OE1-CE 3.15Å; E329-K333 IonicContact OE1-NZ 2.87Å; E329-K333 PolarHBondContact OE1-NZ 2.9Å |
| 330 | D | 96.9 | Very high | 97.7 | Very high | 126 Ų | 126 | 46.6 Ų | 46.6 | 67% | 0.674 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67.3 | -42 | 178.5 | -70.1 | -24.6 | 0 | 0 | 0 | 111.7 | S328 A332 K333 S334 | S328-D330 VanDerWaalsContact C-N 3.31Å; S328-D330 PolarHBondContact O-N 2.83Å; D330-A332 VanDerWaalsContact C-N 3.31Å; D330-A332 PolarHBondContact O-N 3.37Å; D330-K333 PolarHBondContact O-N 2.82Å; D330-S334 VanDerWaalsContact O-CB 3.31Å; D330-S334 WeakPolarHBondContact O-CB 3.19Å; D330-S334 PolarHBondContact O-N 3.09Å |
| 331 | E | 97.8 | Very high | 97.5 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 173.4 | -73.5 | 168.1 | 129.7 | 0 | 0 | 111.6 | F327 S328 S334 | F327-E331 HydrophobicContact CB-CB 4.17Å; F327-E331 HydrophobicContact CD1-CB 4.05Å; S328-E331 WeakPolarHBondContact CB-OE2 3.19Å; S328-E331 PolarHBondContact N-OE2 3.28Å; S328-E331 PolarHBondContact O-N 3.31Å; S328-E331 WeakPolarHBondContact OG-CB 3.41Å; S328-E331 VanDerWaalsContact OG-CD 3.29Å; S328-E331 WeakPolarHBondContact OG-CG 3.35Å; S328-E331 PolarHBondContact OG-N 2.83Å; S328-E331 PolarHBondContact OG-OE2 2.68Å; E331-S334 PolarHBondContact O-N 3.37Å; E331-S334 PolarHBondContact O-OG 3.48Å |
| 332 | A | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.9 | -48.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V319 I322 M323 S328 E329 D330 S334 R335 | V319-A332 HydrophobicContact CB-CB 4.36Å; V319-A332 HydrophobicContact CG1-CB 4.01Å; V319-A332 HydrophobicContact CG2-CB 4.43Å; I322-A332 HydrophobicContact CB-CB 3.8Å; I322-A332 HydrophobicContact CD1-CB 4.38Å; I322-A332 HydrophobicContact CG2-CB 3.63Å; M323-A332 HydrophobicContact CG-CB 4.17Å; S328-A332 WeakPolarHBondContact O-CB 3.1Å; S328-A332 PolarHBondContact O-N 2.97Å; E329-A332 PolarHBondContact O-N 2.94Å; D330-A332 VanDerWaalsContact C-N 3.31Å; D330-A332 PolarHBondContact O-N 3.37Å; A332-S334 VanDerWaalsContact C-N 3.26Å; A332-S334 PolarHBondContact O-N 3.33Å; A332-R335 PolarHBondContact O-N 2.67Å |
| 333 | K | 97.6 | Very high | 97.1 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 19% | 0.191 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.2 | -33.3 | 175.3 | -74.3 | 178.2 | -177.6 | 168.8 | 0 | 112.1 | V319 E329 D330 R335 I336 F358 R360 | V319-K333 HydrophobicContact CG2-CG 3.79Å; E329-K333 HydrophobicContact CG-CD 4.3Å; E329-K333 WeakPolarHBondContact O-CB 3.46Å; E329-K333 WeakPolarHBondContact O-CG 3.11Å; E329-K333 PolarHBondContact O-N 3.32Å; E329-K333 WeakPolarHBondContact OE1-CE 3.15Å; E329-K333 IonicContact OE1-NZ 2.87Å; E329-K333 PolarHBondContact OE1-NZ 2.9Å; D330-K333 PolarHBondContact O-N 2.82Å; K333-R335 PolarHBondContact O-N 2.69Å; K333-I336 PolarHBondContact O-N 2.97Å; K333-F358 HydrophobicContact CG-CD1 4.42Å; K333-F358 HydrophobicContact CG-CE1 4.17Å; K333-R360 PolarHBondContact O-NH1 3.29Å |
| 334 | S | 97.1 | Very high | 97.1 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.5 | 179.5 | 82.9 | 0 | 0 | 0 | 0 | 113.7 | D330 E331 A332 F337 R360 | D330-S334 VanDerWaalsContact O-CB 3.31Å; D330-S334 WeakPolarHBondContact O-CB 3.19Å; D330-S334 PolarHBondContact O-N 3.09Å; E331-S334 PolarHBondContact O-N 3.37Å; E331-S334 PolarHBondContact O-OG 3.48Å; A332-S334 VanDerWaalsContact C-N 3.26Å; A332-S334 PolarHBondContact O-N 3.33Å; S334-F337 WeakPolarHBondContact O-CZ 3.41Å; S334-R360 VanDerWaalsContact CA-NH1 3.26Å; S334-R360 PolarHBondContact O-NH1 3.28Å; S334-R360 PolarHBondContact O-NH2 3.22Å |
| 335 | R | 97.7 | Very high | 97.1 | Very high | 57 Ų | 57 | 48 Ų | 48 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -7.4 | 179.4 | -61.8 | 176.8 | -173.5 | -74.7 | 3 | 113.9 | S298 N301 Y302 A332 K333 | S298-R335 WeakPolarHBondContact O-CD 3.48Å; S298-R335 PolarHBondContact O-NE 3.47Å; S298-R335 PolarHBondContact O-NH1 3.19Å; S298-R335 PolarHBondContact O-NH2 3.5Å; N301-R335 WeakPolarHBondContact CA-O 3.22Å; Y302-R335 PolarHBondContact N-O 3.33Å; A332-R335 PolarHBondContact O-N 2.67Å; K333-R335 PolarHBondContact O-N 2.69Å |
| 336 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.9 | -174.2 | -61.3 | 170.4 | 0 | 0 | 0 | 109.7 | Y302 F304 A315 L318 V319 K333 I338 F358 R360 | Y302-I336 HydrophobicContact CD2-CG1 4.28Å; F304-I336 HydrophobicContact CD2-CG2 4.13Å; F304-I336 HydrophobicContact CE2-CG2 3.86Å; A315-I336 HydrophobicContact CB-CD1 4.42Å; A315-I336 HydrophobicContact CB-CG2 4Å; L318-I336 HydrophobicContact CB-CD1 3.96Å; V319-I336 HydrophobicContact CG2-CD1 3.68Å; K333-I336 PolarHBondContact O-N 2.97Å; I336-I338 HydrophobicContact CG2-CD1 4.42Å; I336-I338 HydrophobicContact CG2-CG1 4.14Å; I336-F358 HydrophobicContact CB-CD1 4.32Å; I336-F358 HydrophobicContact CD1-CE1 4.1Å; I336-F358 HydrophobicContact CG2-CD1 3.99Å; I336-F358 HydrophobicContact CG2-CE1 4.37Å; I336-R360 PolarHBondContact O-NH1 3.49Å |
| 337 | F | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.8 | -178.7 | -59 | -91.6 | 0 | 0 | 0 | 108.7 | N301 Y302 L303 F304 S334 L344 R360 Y363 I376 | N301-F337 HydrophobicContact CB-CE2 4.38Å; Y302-F337 WeakPolarHBondContact O-CB 3.49Å; Y302-F337 PolarHBondContact O-N 3.5Å; L303-F337 CarbonylContact C-O 3.5Å; L303-F337 WeakPolarHBondContact CA-O 3.34Å; L303-F337 HydrophobicContact CD1-CB 3.74Å; F304-F337 PolarHBondContact N-O 2.96Å; S334-F337 WeakPolarHBondContact O-CZ 3.41Å; F337-L344 HydrophobicContact CB-CD1 4.1Å; F337-L344 HydrophobicContact CD1-CD1 4.37Å; F337-R360 HydrophobicContact CD1-CG 4.15Å; F337-R360 HydrophobicContact CE1-CG 4.39Å; F337-Y363 HydrophobicContact CE1-CD1 4.34Å; F337-Y363 AromaticContact CE1-CD2 3.92Å; F337-Y363 HydrophobicContact CE1-CD2 3.92Å; F337-Y363 AromaticContact CE1-CE1 3.88Å; F337-Y363 HydrophobicContact CE1-CE1 3.88Å; F337-Y363 AromaticContact CE1-CE2 3.47Å; F337-Y363 HydrophobicContact CE1-CE2 3.47Å; F337-Y363 VanDerWaalsContact CE1-CE2 3.47Å; F337-Y363 HydrophobicContact CE1-CG 4.37Å; F337-Y363 AromaticContact CE1-CZ 3.44Å; F337-Y363 VanDerWaalsContact CE1-CZ 3.44Å; F337-Y363 AromaticContact CZ-CE2 3.98Å; F337-Y363 HydrophobicContact CZ-CE2 3.98Å; F337-Y363 AromaticContact CZ-CZ 3.8Å; F337-I376 HydrophobicContact CB-CD1 3.9Å; F337-I376 HydrophobicContact CB-CG2 4.48Å; F337-I376 HydrophobicContact CD1-CD1 3.65Å; F337-I376 HydrophobicContact CD1-CG1 3.88Å; F337-I376 HydrophobicContact CD1-CG2 4.12Å; F337-I376 HydrophobicContact CD2-CG2 3.38Å; F337-I376 HydrophobicContact CE1-CD1 4.35Å; F337-I376 HydrophobicContact CE1-CG1 4.07Å; F337-I376 HydrophobicContact CE1-CG2 4.21Å; F337-I376 HydrophobicContact CE2-CG2 3.49Å; F337-I376 VanDerWaalsContact CE2-CG2 3.49Å; F337-I376 HydrophobicContact CG-CD1 3.78Å; F337-I376 HydrophobicContact CG-CG1 4.19Å; F337-I376 HydrophobicContact CG-CG2 3.72Å; F337-I376 HydrophobicContact CZ-CG2 3.91Å |
| 338 | I | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.7 | -177.6 | -53.8 | -177.7 | 0 | 0 | 0 | 108.6 | F304 I312 A315 I336 I345 F358 | F304-I338 HydrophobicContact CB-CB 4.34Å; F304-I338 HydrophobicContact CB-CG1 4.12Å; F304-I338 HydrophobicContact CB-CG2 4.14Å; F304-I338 HydrophobicContact CD2-CG1 4.01Å; F304-I338 HydrophobicContact CG-CG1 4.29Å; I312-I338 HydrophobicContact CD1-CD1 3.81Å; A315-I338 HydrophobicContact CB-CD1 4.09Å; I336-I338 HydrophobicContact CG2-CD1 4.42Å; I336-I338 HydrophobicContact CG2-CG1 4.14Å; I338-I345 HydrophobicContact CB-CD1 3.97Å; I338-I345 HydrophobicContact CG2-CD1 3.66Å; I338-I345 WeakPolarHBondContact O-CB 3.31Å; I338-I345 VanDerWaalsContact O-CG1 3.28Å; I338-I345 WeakPolarHBondContact O-CG1 3.44Å; I338-I345 PolarHBondContact O-N 3.47Å; I338-F358 HydrophobicContact CD1-CB 3.81Å; I338-F358 HydrophobicContact CD1-CD2 4.04Å; I338-F358 HydrophobicContact CD1-CG 3.91Å; I338-F358 HydrophobicContact CG1-CB 4.4Å |
| 339 | M | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 141.1 | 169.8 | -61.6 | -175.6 | 75.9 | 0 | 0 | 109.9 | L303 F304 Y305 G306 G307 G343 L344 L369 A372 | L303-M339 HydrophobicContact CD1-CG 3.99Å; L303-M339 HydrophobicContact CD1-SD 4.26Å; F304-M339 PolarHBondContact O-N 3.06Å; Y305-M339 HydrophobicContact CD2-CB 4.32Å; Y305-M339 HydrophobicContact CD2-SD 4.39Å; G306-M339 CarbonylContact C-O 3.53Å; G306-M339 VanDerWaalsContact CA-O 3.25Å; G306-M339 WeakPolarHBondContact CA-O 3.19Å; G306-M339 PolarHBondContact N-O 3.47Å; G307-M339 PolarHBondContact N-O 3.47Å; G307-M339 VanDerWaalsContact N-O 3.11Å; M339-G343 WeakPolarHBondContact CA-O 3.49Å; M339-L344 HydrophobicContact CG-CB 4.43Å; M339-L344 HydrophobicContact CG-CD1 4.3Å; M339-L369 HydrophobicContact SD-CB 4.42Å; M339-L369 HydrophobicContact SD-CD1 3.88Å; M339-A372 HydrophobicContact CE-CB 4.2Å; M339-A372 HydrophobicContact SD-CB 3.6Å |
| 340 | D | 95 | Very high | 96.1 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 11% | 0.107 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | -165.7 | 166.6 | 71.5 | 8.8 | 0 | 0 | 0 | 110.9 | K342 G343 R349 K355 | D340-K342 PolarHBondContact O-N 3.42Å; D340-K342 PolarHBondContact OD1-N 2.92Å; D340-G343 PolarHBondContact N-O 2.95Å; D340-G343 PolarHBondContact O-N 3.43Å; D340-R349 IonicContact OD1-CZ 3.33Å; D340-R349 IonicContact OD1-NH1 3.41Å; D340-R349 PolarHBondContact OD1-NH1 2.96Å; D340-R349 IonicContact OD1-NH2 2.78Å; D340-R349 PolarHBondContact OD1-NH2 2.82Å; D340-R349 IonicContact OD2-NH2 3.56Å; D340-R349 PolarHBondContact OD2-NH2 2.66Å; D340-K355 IonicContact OD2-NZ 2.82Å; D340-K355 PolarHBondContact OD2-NZ 3.43Å |
| 341 | S | 92.5 | Very high | 95.8 | Very high | 126 Ų | 126 | 47.7 Ų | 47.7 | 88% | 0.881 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -12.5 | -178.8 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 342 | K | 94 | Very high | 95.2 | Very high | 145 Ų | 145 | 46.6 Ų | 46.6 | 63% | 0.63 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 21.8 | 176 | -51 | -179.5 | 179.6 | -177.1 | 0 | 112.2 | D340 R349 Q365 | D340-K342 PolarHBondContact O-N 3.42Å; D340-K342 PolarHBondContact OD1-N 2.92Å; K342-R349 PolarHBondContact O-NH1 2.93Å; K342-Q365 PolarHBondContact O-NE2 3.13Å |
| 343 | G | 96.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.8 | -161 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | M339 D340 R349 I366 | M339-G343 WeakPolarHBondContact CA-O 3.49Å; D340-G343 PolarHBondContact N-O 2.95Å; D340-G343 PolarHBondContact O-N 3.43Å; G343-R349 PolarHBondContact O-NH1 3.49Å; G343-I366 CarbonylContact C-O 3.26Å; G343-I366 VanDerWaalsContact CA-O 3.32Å; G343-I366 WeakPolarHBondContact CA-O 3.5Å |
| 344 | L | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 134.1 | -179.9 | -174.9 | 67.3 | 0 | 0 | 0 | 111.5 | F337 M339 V346 R349 Y363 Q365 I366 I376 | F337-L344 HydrophobicContact CB-CD1 4.1Å; F337-L344 HydrophobicContact CD1-CD1 4.37Å; M339-L344 HydrophobicContact CG-CB 4.43Å; M339-L344 HydrophobicContact CG-CD1 4.3Å; L344-V346 HydrophobicContact CD2-CG1 4.1Å; L344-V346 HydrophobicContact CG-CG1 4.15Å; L344-V346 PolarHBondContact O-N 2.95Å; L344-R349 VanDerWaalsContact C-NH1 3.32Å; L344-R349 PolarHBondContact O-NH1 2.66Å; L344-Y363 HydrophobicContact CD2-CD1 4.27Å; L344-Y363 HydrophobicContact CD2-CG 4.25Å; L344-Q365 PolarHBondContact O-OE1 2.78Å; L344-I366 HydrophobicContact CB-CB 4.16Å; L344-I366 HydrophobicContact CD2-CD1 4.17Å; L344-I366 HydrophobicContact CD2-CG1 4.47Å; L344-I366 PolarHBondContact N-O 2.95Å; L344-I376 HydrophobicContact CD1-CD1 4.25Å |
| 345 | I | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -75 | 108.5 | 177.1 | -63.8 | 179.8 | 0 | 0 | 0 | 108.7 | I338 L351 K355 A359 R360 | I338-I345 HydrophobicContact CB-CD1 3.97Å; I338-I345 HydrophobicContact CG2-CD1 3.66Å; I338-I345 WeakPolarHBondContact O-CB 3.31Å; I338-I345 VanDerWaalsContact O-CG1 3.28Å; I338-I345 WeakPolarHBondContact O-CG1 3.44Å; I338-I345 PolarHBondContact O-N 3.47Å; I345-L351 HydrophobicContact CG2-CD1 3.39Å; I345-L351 HydrophobicContact CG2-CD2 3.88Å; I345-L351 HydrophobicContact CG2-CG 4.27Å; I345-K355 HydrophobicContact CD1-CB 4.15Å; I345-K355 HydrophobicContact CD1-CD 4.01Å; I345-K355 HydrophobicContact CD1-CG 3.97Å; I345-K355 HydrophobicContact CG2-CB 4.42Å; I345-A359 HydrophobicContact CG2-CB 3.94Å; I345-A359 WeakPolarHBondContact O-CA 3.34Å; I345-R360 PolarHBondContact O-N 3.16Å | ||
| 346 | V | 97.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -123.5 | 156 | 179.7 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | L344 S348 R349 L351 R360 | L344-V346 HydrophobicContact CD2-CG1 4.1Å; L344-V346 HydrophobicContact CG-CG1 4.15Å; L344-V346 PolarHBondContact O-N 2.95Å; V346-S348 VanDerWaalsContact CG2-OG 3.3Å; V346-S348 WeakPolarHBondContact CG2-OG 3.44Å; V346-S348 PolarHBondContact O-N 3.47Å; V346-R349 HydrophobicContact CG2-CG 3.86Å; V346-R349 PolarHBondContact O-N 3.18Å; V346-L351 WeakPolarHBondContact O-CD1 3.34Å; V346-R360 CarbonylContact C-O 3.53Å; V346-R360 WeakPolarHBondContact CA-O 3.16Å; V346-R360 WeakPolarHBondContact CB-O 3.47Å; V346-R360 HydrophobicContact CG1-CB 4.24Å |
| 347 | T | 94.6 | Very high | 93.5 | Very high | 88 Ų | 88 | 52.6 Ų | 52.6 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.9 | -174.8 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | R349 A359 R360 | T347-R349 PolarHBondContact O-N 2.91Å; T347-A359 HydrophobicContact CG2-CB 3.91Å; T347-R360 PolarHBondContact N-O 2.87Å |
| 348 | S | 92.8 | Very high | 93.4 | Very high | 101 Ų | 101 | 52.9 Ų | 52.9 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7.9 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 114 | V346 | V346-S348 VanDerWaalsContact CG2-OG 3.3Å; V346-S348 WeakPolarHBondContact CG2-OG 3.44Å; V346-S348 PolarHBondContact O-N 3.47Å |
| 349 | R | 92.5 | Very high | 93.4 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -96.3 | 151.1 | 178.9 | -69.1 | 170.8 | 46.6 | 179.3 | -0.6 | 111.5 | D340 K342 G343 L344 V346 T347 L351 | D340-R349 IonicContact OD1-CZ 3.33Å; D340-R349 IonicContact OD1-NH1 3.41Å; D340-R349 PolarHBondContact OD1-NH1 2.96Å; D340-R349 IonicContact OD1-NH2 2.78Å; D340-R349 PolarHBondContact OD1-NH2 2.82Å; D340-R349 IonicContact OD2-NH2 3.56Å; D340-R349 PolarHBondContact OD2-NH2 2.66Å; K342-R349 PolarHBondContact O-NH1 2.93Å; G343-R349 PolarHBondContact O-NH1 3.49Å; L344-R349 VanDerWaalsContact C-NH1 3.32Å; L344-R349 PolarHBondContact O-NH1 2.66Å; V346-R349 HydrophobicContact CG2-CG 3.86Å; V346-R349 PolarHBondContact O-N 3.18Å; T347-R349 PolarHBondContact O-N 2.91Å; R349-L351 HydrophobicContact CB-CD2 4.16Å; R349-L351 HydrophobicContact CB-CG 4.14Å; R349-L351 PolarHBondContact O-N 3.44Å |
| 350 | E | 90.2 | Very high | 93.3 | Very high | 193 Ų | 193 | 54.4 Ų | 54.4 | 90% | 0.902 | 32% | 0.32 | S | S | * | . | trans | -71.5 | 119.9 | 164.5 | -67.5 | -177 | 173.2 | 0 | 0 | 110.4 | ||||
| 351 | L | 90.3 | Very high | 93.2 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 20% | 0.199 | 35% | 0.347 | C | S | . | . | trans | -131.5 | 149.7 | -172.2 | -63.7 | 172.3 | 0 | 0 | 0 | 110.7 | I345 V346 R349 K355 S356 A359 | I345-L351 HydrophobicContact CG2-CD1 3.39Å; I345-L351 HydrophobicContact CG2-CD2 3.88Å; I345-L351 HydrophobicContact CG2-CG 4.27Å; V346-L351 WeakPolarHBondContact O-CD1 3.34Å; R349-L351 HydrophobicContact CB-CD2 4.16Å; R349-L351 HydrophobicContact CB-CG 4.14Å; R349-L351 PolarHBondContact O-N 3.44Å; L351-K355 HydrophobicContact CB-CB 4.16Å; L351-K355 HydrophobicContact CD2-CB 4.3Å; L351-K355 HydrophobicContact CD2-CD 4.37Å; L351-S356 WeakPolarHBondContact CB-OG 3.38Å; L351-A359 HydrophobicContact CD1-CB 3.61Å | ||
| 352 | S | 86.4 | Confident | 93.3 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 47% | 0.469 | 33% | 0.33 | S | S | . | . | trans | -68 | 154.4 | 167.1 | 62.4 | 0 | 0 | 0 | 0 | 110.3 | A354 K355 S356 | S352-A354 PolarHBondContact O-N 3.32Å; S352-A354 VanDerWaalsContact O-N 3.12Å; S352-K355 PolarHBondContact O-N 3.45Å; S352-S356 PolarHBondContact O-N 2.81Å; S352-S356 PolarHBondContact O-OG 3.32Å; S352-S356 VanDerWaalsContact O-OG 3.09Å | ||
| 353 | A | 87.7 | Confident | 93.4 | Very high | 91 Ų | 91 | 52.2 Ų | 52.2 | 75% | 0.752 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -50.2 | -42.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K355 S356 E357 | A353-K355 PolarHBondContact O-N 3.48Å; A353-S356 PolarHBondContact O-N 2.7Å; A353-E357 PolarHBondContact O-N 2.86Å |
| 354 | A | 87 | Confident | 93.3 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 17% | 0.174 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.3 | -34.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | F258 I312 S352 | F258-A354 HydrophobicContact CD2-CB 4.47Å; F258-A354 HydrophobicContact CE2-CB 4.48Å; I312-A354 HydrophobicContact CG2-CB 4.41Å; S352-A354 PolarHBondContact O-N 3.32Å; S352-A354 VanDerWaalsContact O-N 3.12Å |
| 355 | K | 91 | Very high | 93.2 | Very high | 46 Ų | 46 | 59.2 Ų | 59.2 | 20% | 0.2 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -77 | -35.8 | 176.8 | -75.3 | -177.4 | 174.7 | -176 | 0 | 111.9 | G307 D340 I345 L351 S352 A353 E357 F358 A359 | G307-K355 WeakPolarHBondContact O-CE 3.35Å; D340-K355 IonicContact OD2-NZ 2.82Å; D340-K355 PolarHBondContact OD2-NZ 3.43Å; I345-K355 HydrophobicContact CD1-CB 4.15Å; I345-K355 HydrophobicContact CD1-CD 4.01Å; I345-K355 HydrophobicContact CD1-CG 3.97Å; I345-K355 HydrophobicContact CG2-CB 4.42Å; L351-K355 HydrophobicContact CB-CB 4.16Å; L351-K355 HydrophobicContact CD2-CB 4.3Å; L351-K355 HydrophobicContact CD2-CD 4.37Å; S352-K355 PolarHBondContact O-N 3.45Å; A353-K355 PolarHBondContact O-N 3.48Å; K355-E357 PolarHBondContact O-N 3.13Å; K355-F358 PolarHBondContact O-N 3.34Å; K355-F358 VanDerWaalsContact O-N 3.13Å; K355-A359 PolarHBondContact O-N 3.32Å |
| 356 | S | 93.6 | Very high | 93.1 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.4 | -26.9 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 112.9 | L351 S352 A353 F358 A359 | L351-S356 WeakPolarHBondContact CB-OG 3.38Å; S352-S356 PolarHBondContact O-N 2.81Å; S352-S356 PolarHBondContact O-OG 3.32Å; S352-S356 VanDerWaalsContact O-OG 3.09Å; A353-S356 PolarHBondContact O-N 2.7Å; S356-F358 PolarHBondContact O-N 3.41Å; S356-A359 WeakPolarHBondContact O-CB 3.48Å; S356-A359 PolarHBondContact O-N 2.86Å |
| 357 | E | 93.9 | Very high | 93.1 | Very high | 62 Ų | 62 | 65.1 Ų | 65.1 | 29% | 0.29 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.5 | 175.9 | -171.1 | -179.5 | 159.4 | 0 | 0 | 113.7 | R316 A353 K355 | R316-E357 WeakPolarHBondContact CG-OE1 3.37Å; R316-E357 IonicContact CZ-OE2 2.81Å; R316-E357 IonicContact NE-OE1 3.34Å; R316-E357 PolarHBondContact NE-OE1 3.25Å; R316-E357 IonicContact NE-OE2 3.44Å; R316-E357 PolarHBondContact NE-OE2 3.1Å; R316-E357 IonicContact NH2-OE2 2.72Å; R316-E357 PolarHBondContact NH2-OE2 3.3Å; A353-E357 PolarHBondContact O-N 2.86Å; K355-E357 PolarHBondContact O-N 3.13Å |
| 358 | F | 96.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 16.3 | -178.7 | -64.3 | -78.7 | 0 | 0 | 0 | 112.7 | I312 A315 R316 V319 K333 I336 I338 K355 S356 | I312-F358 HydrophobicContact CD1-CD2 3.98Å; I312-F358 HydrophobicContact CG2-CE2 4.43Å; A315-F358 HydrophobicContact CB-CD1 4.17Å; A315-F358 HydrophobicContact CB-CD2 4.18Å; A315-F358 HydrophobicContact CB-CE1 3.69Å; A315-F358 HydrophobicContact CB-CE2 3.69Å; A315-F358 HydrophobicContact CB-CG 4.41Å; A315-F358 HydrophobicContact CB-CZ 3.43Å; A315-F358 VanDerWaalsContact CB-CZ 3.43Å; R316-F358 HydrophobicContact CG-CE2 4.07Å; R316-F358 HydrophobicContact CG-CZ 4.05Å; V319-F358 HydrophobicContact CG2-CE1 3.72Å; V319-F358 HydrophobicContact CG2-CZ 4.2Å; K333-F358 HydrophobicContact CG-CD1 4.42Å; K333-F358 HydrophobicContact CG-CE1 4.17Å; I336-F358 HydrophobicContact CB-CD1 4.32Å; I336-F358 HydrophobicContact CD1-CE1 4.1Å; I336-F358 HydrophobicContact CG2-CD1 3.99Å; I336-F358 HydrophobicContact CG2-CE1 4.37Å; I338-F358 HydrophobicContact CD1-CB 3.81Å; I338-F358 HydrophobicContact CD1-CD2 4.04Å; I338-F358 HydrophobicContact CD1-CG 3.91Å; I338-F358 HydrophobicContact CG1-CB 4.4Å; K355-F358 PolarHBondContact O-N 3.34Å; K355-F358 VanDerWaalsContact O-N 3.13Å; S356-F358 PolarHBondContact O-N 3.41Å |
| 359 | A | 96.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 58.8 Ų | 58.8 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | trans | -71.1 | 132.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I345 T347 L351 K355 S356 | I345-A359 HydrophobicContact CG2-CB 3.94Å; I345-A359 WeakPolarHBondContact O-CA 3.34Å; T347-A359 HydrophobicContact CG2-CB 3.91Å; L351-A359 HydrophobicContact CD1-CB 3.61Å; K355-A359 PolarHBondContact O-N 3.32Å; S356-A359 WeakPolarHBondContact O-CB 3.48Å; S356-A359 PolarHBondContact O-N 2.86Å | ||
| 360 | R | 96.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 59.1 Ų | 59.1 | 6% | 0.057 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -85.3 | 127.4 | 178.9 | -55.2 | -52.2 | -59.9 | -138.7 | -4.9 | 111.6 | K333 S334 I336 F337 I345 V346 T347 D362 Y363 | K333-R360 PolarHBondContact O-NH1 3.29Å; S334-R360 VanDerWaalsContact CA-NH1 3.26Å; S334-R360 PolarHBondContact O-NH1 3.28Å; S334-R360 PolarHBondContact O-NH2 3.22Å; I336-R360 PolarHBondContact O-NH1 3.49Å; F337-R360 HydrophobicContact CD1-CG 4.15Å; F337-R360 HydrophobicContact CE1-CG 4.39Å; I345-R360 PolarHBondContact O-N 3.16Å; V346-R360 CarbonylContact C-O 3.53Å; V346-R360 WeakPolarHBondContact CA-O 3.16Å; V346-R360 WeakPolarHBondContact CB-O 3.47Å; V346-R360 HydrophobicContact CG1-CB 4.24Å; T347-R360 PolarHBondContact N-O 2.87Å; R360-D362 IonicContact CZ-OD1 3.55Å; R360-D362 IonicContact CZ-OD2 3.34Å; R360-D362 IonicContact NE-OD1 2.68Å; R360-D362 PolarHBondContact NE-OD1 3.29Å; R360-D362 IonicContact NE-OD2 2.93Å; R360-D362 VanDerWaalsContact NH2-CG 3.35Å; R360-D362 IonicContact NH2-OD1 3.55Å; R360-D362 PolarHBondContact NH2-OD1 3.11Å; R360-D362 VanDerWaalsContact NH2-OD1 3.14Å; R360-D362 IonicContact NH2-OD2 2.65Å; R360-D362 PolarHBondContact NH2-OD2 3.48Å; R360-Y363 HydrophobicContact CB-CD2 4.2Å; R360-Y363 HydrophobicContact CB-CG 4.43Å; R360-Y363 HydrophobicContact CG-CD2 4.37Å |
| 361 | S | 93.9 | Very high | 94 | Very high | 98 Ų | 98 | 55.1 Ų | 55.1 | 69% | 0.685 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -94.7 | -18.6 | 170.4 | 53.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 362 | D | 94.5 | Very high | 94.3 | Very high | 97 Ų | 97 | 53.3 Ų | 53.3 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -99.1 | 2.5 | -174.6 | 59.9 | -36.2 | 0 | 0 | 0 | 113.6 | R360 | R360-D362 IonicContact CZ-OD1 3.55Å; R360-D362 IonicContact CZ-OD2 3.34Å; R360-D362 IonicContact NE-OD1 2.68Å; R360-D362 PolarHBondContact NE-OD1 3.29Å; R360-D362 IonicContact NE-OD2 2.93Å; R360-D362 VanDerWaalsContact NH2-CG 3.35Å; R360-D362 IonicContact NH2-OD1 3.55Å; R360-D362 PolarHBondContact NH2-OD1 3.11Å; R360-D362 VanDerWaalsContact NH2-OD1 3.14Å; R360-D362 IonicContact NH2-OD2 2.65Å; R360-D362 PolarHBondContact NH2-OD2 3.48Å |
| 363 | Y | 95.1 | Very high | 94.9 | Very high | 49 Ų | 49 | 50.1 Ų | 50.1 | 19% | 0.192 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -123.7 | 144.2 | 178.7 | -77.1 | -107.8 | 0 | 0 | 0 | 111.1 | F337 L344 R360 I366 F375 I376 | F337-Y363 HydrophobicContact CE1-CD1 4.34Å; F337-Y363 AromaticContact CE1-CD2 3.92Å; F337-Y363 HydrophobicContact CE1-CD2 3.92Å; F337-Y363 AromaticContact CE1-CE1 3.88Å; F337-Y363 HydrophobicContact CE1-CE1 3.88Å; F337-Y363 AromaticContact CE1-CE2 3.47Å; F337-Y363 HydrophobicContact CE1-CE2 3.47Å; F337-Y363 VanDerWaalsContact CE1-CE2 3.47Å; F337-Y363 HydrophobicContact CE1-CG 4.37Å; F337-Y363 AromaticContact CE1-CZ 3.44Å; F337-Y363 VanDerWaalsContact CE1-CZ 3.44Å; F337-Y363 AromaticContact CZ-CE2 3.98Å; F337-Y363 HydrophobicContact CZ-CE2 3.98Å; F337-Y363 AromaticContact CZ-CZ 3.8Å; L344-Y363 HydrophobicContact CD2-CD1 4.27Å; L344-Y363 HydrophobicContact CD2-CG 4.25Å; R360-Y363 HydrophobicContact CB-CD2 4.2Å; R360-Y363 HydrophobicContact CB-CG 4.43Å; R360-Y363 HydrophobicContact CG-CD2 4.37Å; Y363-I366 HydrophobicContact CD1-CD1 4.46Å; Y363-F375 AromaticContact CD1-CD1 3.62Å; Y363-F375 HydrophobicContact CD1-CD1 3.62Å; Y363-F375 AromaticContact CD1-CE1 3.77Å; Y363-F375 HydrophobicContact CD1-CE1 3.77Å; Y363-F375 AromaticContact CE1-CD1 3.5Å; Y363-F375 HydrophobicContact CE1-CD1 3.5Å; Y363-F375 VanDerWaalsContact CE1-CD1 3.5Å; Y363-F375 AromaticContact CE1-CE1 3.77Å; Y363-F375 HydrophobicContact CE1-CE1 3.77Å; Y363-I376 HydrophobicContact CD1-CG1 4.29Å; Y363-I376 HydrophobicContact CE1-CG1 3.75Å |
| 364 | P | 94.1 | Very high | 95.4 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | trans | -70.5 | 168.5 | 169.3 | 33 | -35.4 | 0 | 0 | 0 | 110.6 | I366 | P364-I366 HydrophobicContact CG-CG1 4.31Å; P364-I366 PolarHBondContact O-N 3.46Å | ||
| 365 | Q | 95.1 | Very high | 95.8 | Very high | 77 Ų | 77 | 57.2 Ų | 57.2 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | trans | -59 | 126.5 | 165.6 | 176.4 | 66.8 | -5.2 | 0 | 0 | 109.4 | K342 L344 D367 | K342-Q365 PolarHBondContact O-NE2 3.13Å; L344-Q365 PolarHBondContact O-OE1 2.78Å; Q365-D367 WeakPolarHBondContact CG-OD1 3.47Å; Q365-D367 PolarHBondContact NE2-OD1 2.9Å | ||
| 366 | I | 96.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 55.2 Ų | 55.2 | 6% | 0.062 | 29% | 0.289 | C | S | . | . | trans | -127.8 | 114.6 | 176.2 | -59.6 | 174.8 | 0 | 0 | 0 | 107.9 | G343 L344 Y363 P364 E371 A372 F375 | G343-I366 CarbonylContact C-O 3.26Å; G343-I366 VanDerWaalsContact CA-O 3.32Å; G343-I366 WeakPolarHBondContact CA-O 3.5Å; L344-I366 HydrophobicContact CB-CB 4.16Å; L344-I366 HydrophobicContact CD2-CD1 4.17Å; L344-I366 HydrophobicContact CD2-CG1 4.47Å; L344-I366 PolarHBondContact N-O 2.95Å; Y363-I366 HydrophobicContact CD1-CD1 4.46Å; P364-I366 HydrophobicContact CG-CG1 4.31Å; P364-I366 PolarHBondContact O-N 3.46Å; I366-E371 HydrophobicContact CG2-CB 3.8Å; I366-A372 HydrophobicContact CG2-CB 3.9Å; I366-F375 HydrophobicContact CD1-CB 4.23Å; I366-F375 HydrophobicContact CD1-CD1 4.08Å; I366-F375 HydrophobicContact CD1-CG 4.36Å | ||
| 367 | D | 95.6 | Very high | 96.3 | Very high | 112 Ų | 112 | 59 Ų | 59 | 60% | 0.599 | 29% | 0.294 | S | S | * | . | trans | -88.1 | -37.3 | -174.2 | -62.9 | -27.5 | 0 | 0 | 0 | 112 | Q365 | Q365-D367 WeakPolarHBondContact CG-OD1 3.47Å; Q365-D367 PolarHBondContact NE2-OD1 2.9Å | ||
| 368 | S | 96.3 | Very high | 96.5 | Very high | 43 Ų | 43 | 56 Ų | 56 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | trans | -91.5 | 139.1 | -175.6 | 83.5 | 0 | 0 | 0 | 0 | 112.8 | L370 E371 A372 | S368-L370 VanDerWaalsContact C-N 3.28Å; S368-L370 PolarHBondContact O-N 2.78Å; S368-E371 WeakPolarHBondContact CB-OE2 3.29Å; S368-E371 PolarHBondContact O-N 3Å; S368-E371 WeakPolarHBondContact OG-CB 3.46Å; S368-E371 WeakPolarHBondContact OG-CG 3.44Å; S368-E371 PolarHBondContact OG-N 3.23Å; S368-E371 VanDerWaalsContact OG-N 3.14Å; S368-E371 PolarHBondContact OG-OE2 2.83Å; S368-A372 WeakPolarHBondContact O-CB 3.28Å; S368-A372 PolarHBondContact O-N 3.41Å | ||
| 369 | L | 97.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.068 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 176.2 | 175.8 | 57 | 0 | 0 | 0 | 111.9 | L303 Y305 M339 A372 I373 L381 F391 I395 | L303-L369 HydrophobicContact CD2-CD1 3.71Å; L303-L369 HydrophobicContact CG-CD1 4.46Å; Y305-L369 HydrophobicContact CD2-CB 4.27Å; Y305-L369 HydrophobicContact CD2-CD1 4Å; Y305-L369 HydrophobicContact CD2-CD2 3.77Å; Y305-L369 HydrophobicContact CD2-CG 4.24Å; Y305-L369 HydrophobicContact CE2-CB 4.07Å; Y305-L369 HydrophobicContact CE2-CD2 4.01Å; Y305-L369 HydrophobicContact CE2-CG 4.47Å; Y305-L369 HydrophobicContact CG-CD2 4.1Å; M339-L369 HydrophobicContact SD-CB 4.42Å; M339-L369 HydrophobicContact SD-CD1 3.88Å; L369-A372 PolarHBondContact O-N 3.01Å; L369-I373 HydrophobicContact CD1-CD1 4Å; L369-I373 HydrophobicContact CD1-CG1 4.17Å; L369-I373 HydrophobicContact CG-CD1 4.01Å; L369-I373 VanDerWaalsContact O-CG1 3.31Å; L369-I373 WeakPolarHBondContact O-CG1 3.34Å; L369-I373 PolarHBondContact O-N 3.39Å; L369-L381 HydrophobicContact CD1-CD1 4.2Å; L369-F391 HydrophobicContact CD2-CD1 3.6Å; L369-F391 HydrophobicContact CD2-CE1 3.66Å; L369-I395 HydrophobicContact CB-CD1 4.18Å; L369-I395 HydrophobicContact CD2-CD1 3.73Å; L369-I395 HydrophobicContact CD2-CG2 4.42Å; L369-I395 HydrophobicContact CG-CD1 3.91Å; L369-I395 HydrophobicContact CG-CG1 4.43Å |
| 370 | L | 97.7 | Very high | 96.7 | Very high | 47 Ų | 47 | 55 Ų | 55 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67 | -42.8 | 179.3 | -177.6 | 61.4 | 0 | 0 | 0 | 112.1 | S368 I373 R374 I395 E398 | S368-L370 VanDerWaalsContact C-N 3.28Å; S368-L370 PolarHBondContact O-N 2.78Å; L370-I373 PolarHBondContact O-N 3.47Å; L370-R374 WeakPolarHBondContact O-CG 3.27Å; L370-R374 PolarHBondContact O-N 3.39Å; L370-I395 HydrophobicContact CB-CG1 4.27Å; L370-I395 HydrophobicContact CD1-CG1 4.26Å; L370-E398 HydrophobicContact CD1-CB 4.07Å; L370-E398 HydrophobicContact CD1-CG 4.12Å |
| 371 | E | 97.4 | Very high | 96.8 | Very high | 109 Ų | 109 | 54.3 Ų | 54.3 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.1 | -41.6 | 174.4 | -71.9 | 166.6 | 148.3 | 0 | 0 | 111.3 | I366 S368 I373 R374 F375 | I366-E371 HydrophobicContact CG2-CB 3.8Å; S368-E371 WeakPolarHBondContact CB-OE2 3.29Å; S368-E371 PolarHBondContact O-N 3Å; S368-E371 WeakPolarHBondContact OG-CB 3.46Å; S368-E371 WeakPolarHBondContact OG-CG 3.44Å; S368-E371 PolarHBondContact OG-N 3.23Å; S368-E371 VanDerWaalsContact OG-N 3.14Å; S368-E371 PolarHBondContact OG-OE2 2.83Å; E371-I373 VanDerWaalsContact C-N 3.3Å; E371-I373 PolarHBondContact O-N 2.91Å; E371-R374 PolarHBondContact O-N 3.33Å; E371-F375 WeakPolarHBondContact O-CB 3.35Å; E371-F375 PolarHBondContact O-N 3.42Å |
| 372 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.2 | -45.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L303 M339 I366 S368 L369 R374 F375 I376 | L303-A372 HydrophobicContact CD2-CB 4.17Å; M339-A372 HydrophobicContact CE-CB 4.2Å; M339-A372 HydrophobicContact SD-CB 3.6Å; I366-A372 HydrophobicContact CG2-CB 3.9Å; S368-A372 WeakPolarHBondContact O-CB 3.28Å; S368-A372 PolarHBondContact O-N 3.41Å; L369-A372 PolarHBondContact O-N 3.01Å; A372-R374 PolarHBondContact O-N 3.43Å; A372-F375 PolarHBondContact O-N 2.94Å; A372-I376 HydrophobicContact CB-CD1 4.09Å; A372-I376 WeakPolarHBondContact O-CB 3.42Å; A372-I376 VanDerWaalsContact O-CG1 3.32Å; A372-I376 WeakPolarHBondContact O-CG1 3.27Å; A372-I376 PolarHBondContact O-N 3Å |
| 373 | I | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 176.8 | -73.1 | 167.8 | 0 | 0 | 0 | 111.9 | L303 L369 L370 E371 F375 R377 P378 L381 I395 E398 L399 I402 | L303-I373 HydrophobicContact CD2-CG1 3.82Å; L369-I373 HydrophobicContact CD1-CD1 4Å; L369-I373 HydrophobicContact CD1-CG1 4.17Å; L369-I373 HydrophobicContact CG-CD1 4.01Å; L369-I373 VanDerWaalsContact O-CG1 3.31Å; L369-I373 WeakPolarHBondContact O-CG1 3.34Å; L369-I373 PolarHBondContact O-N 3.39Å; L370-I373 PolarHBondContact O-N 3.47Å; E371-I373 VanDerWaalsContact C-N 3.3Å; E371-I373 PolarHBondContact O-N 2.91Å; I373-F375 VanDerWaalsContact C-N 3.33Å; I373-F375 PolarHBondContact O-N 3.23Å; I373-R377 WeakPolarHBondContact O-CA 3.24Å; I373-R377 PolarHBondContact O-N 3.33Å; I373-P378 HydrophobicContact CG1-CG 4.2Å; I373-P378 WeakPolarHBondContact O-CD 3.48Å; I373-L381 HydrophobicContact CD1-CD2 4.46Å; I373-I395 HydrophobicContact CD1-CB 4.27Å; I373-I395 HydrophobicContact CD1-CG1 4.28Å; I373-I395 HydrophobicContact CD1-CG2 3.52Å; I373-E398 HydrophobicContact CG2-CB 4.3Å; I373-E398 HydrophobicContact CG2-CG 3.78Å; I373-L399 HydrophobicContact CD1-CD1 4.44Å; I373-L399 HydrophobicContact CD1-CD2 4.37Å; I373-L399 HydrophobicContact CD1-CG 4.19Å; I373-L399 HydrophobicContact CG1-CD2 4.33Å; I373-L399 HydrophobicContact CG2-CD2 3.85Å; I373-L399 HydrophobicContact CG2-CG 4.13Å; I373-I402 HydrophobicContact CG2-CD1 3.95Å |
| 374 | R | 97.4 | Very high | 97.1 | Very high | 133 Ų | 133 | 43.7 Ų | 43.7 | 50% | 0.502 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 179.8 | -75.4 | 173.9 | 173.7 | 166.9 | 0.3 | 112.5 | L370 E371 A372 R377 E398 | L370-R374 WeakPolarHBondContact O-CG 3.27Å; L370-R374 PolarHBondContact O-N 3.39Å; E371-R374 PolarHBondContact O-N 3.33Å; A372-R374 PolarHBondContact O-N 3.43Å; R374-R377 WeakPolarHBondContact O-CG 3.31Å; R374-E398 HydrophobicContact CG-CG 3.98Å; R374-E398 IonicContact CZ-OE2 3.57Å; R374-E398 IonicContact NE-OE2 2.98Å; R374-E398 PolarHBondContact NE-OE2 3.31Å; R374-E398 IonicContact NH2-OE2 3.23Å; R374-E398 PolarHBondContact NH2-OE2 3.41Å |
| 375 | F | 95.9 | Very high | 96.9 | Very high | 128 Ų | 128 | 42.1 Ų | 42.1 | 56% | 0.561 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -81.8 | -46.7 | -175.2 | -155.6 | -104.9 | 0 | 0 | 0 | 112.2 | Y363 I366 E371 A372 I373 | Y363-F375 AromaticContact CD1-CD1 3.62Å; Y363-F375 HydrophobicContact CD1-CD1 3.62Å; Y363-F375 AromaticContact CD1-CE1 3.77Å; Y363-F375 HydrophobicContact CD1-CE1 3.77Å; Y363-F375 AromaticContact CE1-CD1 3.5Å; Y363-F375 HydrophobicContact CE1-CD1 3.5Å; Y363-F375 VanDerWaalsContact CE1-CD1 3.5Å; Y363-F375 AromaticContact CE1-CE1 3.77Å; Y363-F375 HydrophobicContact CE1-CE1 3.77Å; I366-F375 HydrophobicContact CD1-CB 4.23Å; I366-F375 HydrophobicContact CD1-CD1 4.08Å; I366-F375 HydrophobicContact CD1-CG 4.36Å; E371-F375 WeakPolarHBondContact O-CB 3.35Å; E371-F375 PolarHBondContact O-N 3.42Å; A372-F375 PolarHBondContact O-N 2.94Å; I373-F375 VanDerWaalsContact C-N 3.33Å; I373-F375 PolarHBondContact O-N 3.23Å |
| 376 | I | 97.2 | Very high | 96.5 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -80 | -28.2 | -177.6 | -62.6 | 163.1 | 0 | 0 | 0 | 111.9 | N301 L303 F337 L344 Y363 A372 P378 | N301-I376 HydrophobicContact CB-CG2 4.41Å; N301-I376 PolarHBondContact ND2-O 2.94Å; N301-I376 VanDerWaalsContact ND2-O 3.14Å; L303-I376 HydrophobicContact CD1-CD1 4.04Å; F337-I376 HydrophobicContact CB-CD1 3.9Å; F337-I376 HydrophobicContact CB-CG2 4.48Å; F337-I376 HydrophobicContact CD1-CD1 3.65Å; F337-I376 HydrophobicContact CD1-CG1 3.88Å; F337-I376 HydrophobicContact CD1-CG2 4.12Å; F337-I376 HydrophobicContact CD2-CG2 3.38Å; F337-I376 HydrophobicContact CE1-CD1 4.35Å; F337-I376 HydrophobicContact CE1-CG1 4.07Å; F337-I376 HydrophobicContact CE1-CG2 4.21Å; F337-I376 HydrophobicContact CE2-CG2 3.49Å; F337-I376 VanDerWaalsContact CE2-CG2 3.49Å; F337-I376 HydrophobicContact CG-CD1 3.78Å; F337-I376 HydrophobicContact CG-CG1 4.19Å; F337-I376 HydrophobicContact CG-CG2 3.72Å; F337-I376 HydrophobicContact CZ-CG2 3.91Å; L344-I376 HydrophobicContact CD1-CD1 4.25Å; Y363-I376 HydrophobicContact CD1-CG1 4.29Å; Y363-I376 HydrophobicContact CE1-CG1 3.75Å; A372-I376 HydrophobicContact CB-CD1 4.09Å; A372-I376 WeakPolarHBondContact O-CB 3.42Å; A372-I376 VanDerWaalsContact O-CG1 3.32Å; A372-I376 WeakPolarHBondContact O-CG1 3.27Å; A372-I376 PolarHBondContact O-N 3Å; I376-P378 HydrophobicContact CG2-CB 4.31Å |
| 377 | R | 97.9 | Very high | 96.1 | Very high | 137 Ų | 137 | 44.9 Ų | 44.9 | 52% | 0.517 | 22% | 0.223 | S | C | . | . | trans | 52.6 | 49.9 | -176.4 | -56.1 | 175.1 | 65.2 | 79 | -0.9 | 112.7 | I373 R374 I402 H403 | I373-R377 WeakPolarHBondContact O-CA 3.24Å; I373-R377 PolarHBondContact O-N 3.33Å; R374-R377 WeakPolarHBondContact O-CG 3.31Å; R377-I402 HydrophobicContact CB-CG2 3.81Å; R377-I402 HydrophobicContact CG-CD1 4.44Å; R377-I402 HydrophobicContact CG-CG2 4.35Å; R377-H403 PolarHBondContact O-NE2 3.04Å | ||
| 378 | P | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -66.8 | 137.4 | -174.5 | 31.3 | -35.7 | 0 | 0 | 0 | 111.5 | N301 L303 I373 I376 L399 H403 | N301-P378 WeakPolarHBondContact O-CA 3.5Å; N301-P378 WeakPolarHBondContact O-CB 3.31Å; L303-P378 HydrophobicContact CB-CB 3.65Å; L303-P378 HydrophobicContact CB-CG 3.73Å; L303-P378 HydrophobicContact CD2-CG 3.88Å; L303-P378 HydrophobicContact CG-CG 4.48Å; I373-P378 HydrophobicContact CG1-CG 4.2Å; I373-P378 WeakPolarHBondContact O-CD 3.48Å; I376-P378 HydrophobicContact CG2-CB 4.31Å; P378-L399 HydrophobicContact CG-CD2 4.02Å; P378-L399 WeakPolarHBondContact O-CD2 3.35Å; P378-H403 PolarHBondContact O-CD2 2.94Å; P378-H403 PolarHBondContact O-NE2 3.35Å | ||
| 379 | S | 98.2 | Very high | 95.8 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -84.4 | -21 | 170 | 49.1 | 0 | 0 | 0 | 0 | 112.1 | N300 N301 H403 I407 | N300-S379 WeakPolarHBondContact CA-OG 3.28Å; N300-S379 VanDerWaalsContact CB-OG 3.23Å; N300-S379 WeakPolarHBondContact CB-OG 3.45Å; N300-S379 VanDerWaalsContact CG-OG 3.31Å; N300-S379 WeakPolarHBondContact OD1-CB 3.44Å; N300-S379 PolarHBondContact OD1-OG 3.35Å; N301-S379 PolarHBondContact N-OG 3.5Å; N301-S379 PolarHBondContact O-N 3.22Å; N301-S379 VanDerWaalsContact O-N 3.1Å; S379-H403 VanDerWaalsContact CA-CD2 3.46Å; S379-H403 WeakPolarHBondContact CA-CD2 3.47Å; S379-H403 WeakPolarHBondContact CA-NE2 3.14Å; S379-H403 PolarHBondContact N-NE2 2.98Å; S379-I407 PolarHBondContact O-N 3.38Å |
| 380 | V | 98.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.2 | -179.6 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | L286 N300 N301 Y302 L303 I382 I407 | L286-V380 HydrophobicContact CD2-CG1 3.61Å; L286-V380 HydrophobicContact CD2-CG2 4.32Å; N300-V380 HydrophobicContact CB-CG2 4Å; N301-V380 PolarHBondContact O-N 3.42Å; Y302-V380 HydrophobicContact CD1-CB 3.64Å; Y302-V380 HydrophobicContact CD1-CG1 3.77Å; Y302-V380 HydrophobicContact CD1-CG2 3.85Å; Y302-V380 HydrophobicContact CE1-CB 4.02Å; Y302-V380 HydrophobicContact CE1-CG1 4.14Å; Y302-V380 HydrophobicContact CE1-CG2 3.69Å; Y302-V380 HydrophobicContact CG-CB 4.44Å; L303-V380 PolarHBondContact N-O 3.46Å; V380-I382 HydrophobicContact CG1-CD1 4.05Å; V380-I382 HydrophobicContact CG1-CG1 3.87Å; V380-I407 CarbonylContact C-O 3.53Å; V380-I407 WeakPolarHBondContact CA-O 3.46Å; V380-I407 HydrophobicContact CB-CB 4.43Å; V380-I407 HydrophobicContact CG1-CB 4.3Å; V380-I407 HydrophobicContact CG1-CG2 4.07Å; V380-I407 HydrophobicContact CG2-CB 4.06Å; V380-I407 HydrophobicContact CG2-CD1 3.94Å; V380-I407 HydrophobicContact CG2-CG2 4.45Å |
| 381 | L | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123 | 173.2 | 178.7 | 64.5 | 0 | 0 | 0 | 109.7 | L303 L369 I373 F391 I395 L399 I407 I408 F409 | L303-L381 HydrophobicContact CB-CD1 4.22Å; L303-L381 HydrophobicContact CD2-CD1 4.15Å; L303-L381 HydrophobicContact CG-CD1 4.08Å; L303-L381 WeakPolarHBondContact O-CA 3.44Å; L369-L381 HydrophobicContact CD1-CD1 4.2Å; I373-L381 HydrophobicContact CD1-CD2 4.46Å; L381-F391 HydrophobicContact CD1-CE1 4.08Å; L381-F391 HydrophobicContact CD1-CZ 3.86Å; L381-F391 HydrophobicContact CD2-CD1 3.9Å; L381-F391 HydrophobicContact CD2-CD2 3.82Å; L381-F391 HydrophobicContact CD2-CE1 3.72Å; L381-F391 HydrophobicContact CD2-CE2 3.62Å; L381-F391 HydrophobicContact CD2-CG 3.95Å; L381-F391 HydrophobicContact CD2-CZ 3.57Å; L381-F391 HydrophobicContact CG-CD2 4.42Å; L381-F391 HydrophobicContact CG-CE1 4.01Å; L381-F391 HydrophobicContact CG-CE2 3.73Å; L381-F391 HydrophobicContact CG-CZ 3.49Å; L381-F391 VanDerWaalsContact CG-CZ 3.49Å; L381-I395 HydrophobicContact CD2-CG2 4.22Å; L381-L399 HydrophobicContact CB-CD1 3.94Å; L381-L399 HydrophobicContact CD2-CD1 3.57Å; L381-L399 HydrophobicContact CG-CD1 4.38Å; L381-I407 PolarHBondContact N-O 2.86Å; L381-I408 WeakPolarHBondContact O-CA 3.45Å; L381-F409 PolarHBondContact O-N 2.92Å |
| 382 | I | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 110.1 | -176.7 | -56.1 | 173 | 0 | 0 | 0 | 109.3 | I282 L286 L303 F304 Y305 V380 F409 L411 | I282-I382 HydrophobicContact CG2-CD1 4.27Å; L286-I382 HydrophobicContact CD1-CD1 4.28Å; L303-I382 PolarHBondContact O-N 3.11Å; F304-I382 CarbonylContact C-O 3.57Å; F304-I382 WeakPolarHBondContact CA-O 3.35Å; F304-I382 HydrophobicContact CD1-CB 3.84Å; F304-I382 HydrophobicContact CD1-CD1 4.1Å; F304-I382 HydrophobicContact CD1-CG2 3.86Å; F304-I382 HydrophobicContact CE1-CB 4.08Å; F304-I382 HydrophobicContact CE1-CD1 3.49Å; F304-I382 VanDerWaalsContact CE1-CD1 3.49Å; F304-I382 HydrophobicContact CE1-CG1 4.36Å; F304-I382 HydrophobicContact CE1-CG2 3.97Å; F304-I382 HydrophobicContact CE2-CD1 4.2Å; F304-I382 HydrophobicContact CG-CB 4.4Å; F304-I382 HydrophobicContact CZ-CD1 3.55Å; Y305-I382 PolarHBondContact N-O 3.1Å; V380-I382 HydrophobicContact CG1-CD1 4.05Å; V380-I382 HydrophobicContact CG1-CG1 3.87Å; I382-F409 HydrophobicContact CB-CB 4.34Å; I382-F409 HydrophobicContact CG1-CB 4.13Å; I382-F409 HydrophobicContact CG2-CB 4.1Å; I382-L411 HydrophobicContact CG2-CD1 3.64Å; I382-L411 HydrophobicContact CG2-CD2 4.46Å; I382-L411 HydrophobicContact CG2-CG 3.94Å |
| 383 | G | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F391 F409 L411 E419 | G383-F391 VanDerWaalsContact CA-CZ 3.48Å; G383-F409 PolarHBondContact N-O 3.18Å; G383-L411 VanDerWaalsContact O-CB 3.28Å; G383-L411 WeakPolarHBondContact O-CB 3.38Å; G383-L411 VanDerWaalsContact O-CG 3.3Å; G383-L411 WeakPolarHBondContact O-CG 3.44Å; G383-L411 PolarHBondContact O-N 3.2Å; G383-E419 VanDerWaalsContact C-OE1 3.26Å; G383-E419 VanDerWaalsContact CA-CD 3.44Å |
| 384 | A | 93.8 | Very high | 95.7 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -139.3 | 26.7 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y305 S311 L411 E419 | Y305-A384 CarbonylContact O-C 3.59Å; Y305-A384 PolarHBondContact O-N 2.84Å; S311-A384 WeakPolarHBondContact OG-CB 3.21Å; A384-L411 HydrophobicContact CB-CD1 4.2Å; A384-E419 PolarHBondContact N-OE1 2.86Å | ||
| 385 | S | 90.7 | Very high | 95.7 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -95.7 | -22.5 | -176.6 | 68.6 | 0 | 0 | 0 | 0 | 113.1 | Y305 Q387 E419 | Y305-S385 WeakPolarHBondContact CD1-OG 3.27Å; Y305-S385 WeakPolarHBondContact CE1-OG 3.09Å; Y305-S385 PolarHBondContact O-N 2.78Å; S385-Q387 PolarHBondContact O-N 2.94Å; S385-Q387 WeakPolarHBondContact OG-CB 3.4Å; S385-Q387 PolarHBondContact OG-N 3.19Å; S385-Q387 VanDerWaalsContact OG-N 3.13Å; S385-E419 WeakPolarHBondContact CA-OE1 3.11Å; S385-E419 WeakPolarHBondContact CB-OE1 3.4Å; S385-E419 PolarHBondContact N-OE1 3.3Å; S385-E419 WeakPolarHBondContact OG-CG 3.47Å; S385-E419 PolarHBondContact OG-OE1 3.39Å |
| 386 | A | 86.8 | Confident | 95.9 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 35% | 0.347 | 22% | 0.215 | S | C | . | . | trans | 58.6 | 25.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L417 E419 | A386-L417 CarbonylContact C-O 3.55Å; A386-L417 VanDerWaalsContact CA-O 3.23Å; A386-L417 WeakPolarHBondContact CA-O 3.36Å; A386-L417 HydrophobicContact CB-CB 4.22Å; A386-E419 PolarHBondContact N-OE1 2.68Å; A386-E419 VanDerWaalsContact N-OE1 3.16Å | ||
| 387 | Q | 88.1 | Confident | 95.9 | Very high | 104 Ų | 104 | 45 Ų | 45 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | trans | -96.1 | 99.6 | 177.3 | -173.2 | 177.3 | -2.9 | 0 | 0 | 110.8 | Y305 S385 G389 A390 E419 | Y305-Q387 PolarHBondContact OH-OE1 3.34Å; S385-Q387 PolarHBondContact O-N 2.94Å; S385-Q387 WeakPolarHBondContact OG-CB 3.4Å; S385-Q387 PolarHBondContact OG-N 3.19Å; S385-Q387 VanDerWaalsContact OG-N 3.13Å; Q387-G389 PolarHBondContact O-N 3.44Å; Q387-A390 HydrophobicContact CB-CB 4.16Å; Q387-A390 HydrophobicContact CG-CB 4.16Å; Q387-A390 WeakPolarHBondContact O-CB 3.44Å; Q387-A390 PolarHBondContact O-N 3.38Å; Q387-E419 WeakPolarHBondContact O-CA 3.45Å | ||
| 388 | S | 91.5 | Very high | 95.9 | Very high | 79 Ų | 79 | 40.5 Ų | 40.5 | 55% | 0.552 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 130 | 178.6 | -160.4 | 0 | 0 | 0 | 0 | 112.3 | A390 N416 G418 | S388-A390 VanDerWaalsContact C-N 3.3Å; S388-A390 PolarHBondContact O-N 2.71Å; S388-N416 VanDerWaalsContact CB-O 3.24Å; S388-N416 WeakPolarHBondContact CB-O 3.34Å; S388-N416 PolarHBondContact OG-O 3.01Å; S388-G418 WeakPolarHBondContact CA-O 3.4Å |
| 389 | G | 93.7 | Very high | 95.9 | Very high | 42 Ų | 42 | 40.5 Ų | 40.5 | 43% | 0.433 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 4.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | Q387 F391 E419 | Q387-G389 PolarHBondContact O-N 3.44Å; G389-F391 PolarHBondContact O-N 2.96Å; G389-E419 CarbonylContact C-O 3.52Å; G389-E419 VanDerWaalsContact C-O 3.26Å; G389-E419 VanDerWaalsContact CA-O 3.22Å; G389-E419 WeakPolarHBondContact CA-O 3.4Å; G389-E419 PolarHBondContact N-O 2.88Å |
| 390 | A | 96 | Very high | 95.8 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | trans | -59.2 | -33.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y305 Q387 S388 T392 I395 E419 | Y305-A390 HydrophobicContact CD1-CB 4.13Å; Y305-A390 HydrophobicContact CE1-CB 3.43Å; Y305-A390 VanDerWaalsContact CE1-CB 3.43Å; Q387-A390 HydrophobicContact CB-CB 4.16Å; Q387-A390 HydrophobicContact CG-CB 4.16Å; Q387-A390 WeakPolarHBondContact O-CB 3.44Å; Q387-A390 PolarHBondContact O-N 3.38Å; S388-A390 VanDerWaalsContact C-N 3.3Å; S388-A390 PolarHBondContact O-N 2.71Å; A390-T392 PolarHBondContact O-N 3.44Å; A390-T392 VanDerWaalsContact O-N 3.16Å; A390-I395 VanDerWaalsContact O-CD1 3.24Å; A390-I395 WeakPolarHBondContact O-CD1 3.01Å; A390-E419 HydrophobicContact CB-CB 4.26Å; A390-E419 HydrophobicContact CB-CG 4.11Å; A390-E419 PolarHBondContact N-O 3.32Å; A390-E419 VanDerWaalsContact N-O 3.17Å | ||
| 391 | F | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -87.9 | 81.5 | 174.7 | -65.3 | -3.1 | 0 | 0 | 0 | 109.5 | Y305 L369 L381 G383 G389 I395 L396 I408 V410 E419 C420 M424 | Y305-F391 AromaticContact CD1-CE1 3.98Å; Y305-F391 HydrophobicContact CD1-CE1 3.98Å; Y305-F391 AromaticContact CG-CE1 3.93Å; Y305-F391 HydrophobicContact CG-CE1 3.93Å; L369-F391 HydrophobicContact CD2-CD1 3.6Å; L369-F391 HydrophobicContact CD2-CE1 3.66Å; L381-F391 HydrophobicContact CD1-CE1 4.08Å; L381-F391 HydrophobicContact CD1-CZ 3.86Å; L381-F391 HydrophobicContact CD2-CD1 3.9Å; L381-F391 HydrophobicContact CD2-CD2 3.82Å; L381-F391 HydrophobicContact CD2-CE1 3.72Å; L381-F391 HydrophobicContact CD2-CE2 3.62Å; L381-F391 HydrophobicContact CD2-CG 3.95Å; L381-F391 HydrophobicContact CD2-CZ 3.57Å; L381-F391 HydrophobicContact CG-CD2 4.42Å; L381-F391 HydrophobicContact CG-CE1 4.01Å; L381-F391 HydrophobicContact CG-CE2 3.73Å; L381-F391 HydrophobicContact CG-CZ 3.49Å; L381-F391 VanDerWaalsContact CG-CZ 3.49Å; G383-F391 VanDerWaalsContact CA-CZ 3.48Å; G389-F391 PolarHBondContact O-N 2.96Å; F391-I395 HydrophobicContact CB-CG2 4.48Å; F391-L396 HydrophobicContact CB-CD2 4.42Å; F391-I408 HydrophobicContact CD2-CG2 4.26Å; F391-I408 HydrophobicContact CE2-CG2 4.32Å; F391-V410 HydrophobicContact CD2-CG2 4.28Å; F391-V410 HydrophobicContact CE2-CG2 4.27Å; F391-E419 HydrophobicContact CB-CB 4.18Å; F391-E419 HydrophobicContact CD1-CB 3.74Å; F391-E419 HydrophobicContact CD1-CG 4.23Å; F391-E419 HydrophobicContact CD2-CB 3.62Å; F391-E419 HydrophobicContact CE1-CB 3.93Å; F391-E419 HydrophobicContact CE1-CG 3.98Å; F391-E419 HydrophobicContact CE2-CB 3.82Å; F391-E419 HydrophobicContact CE2-CG 4.34Å; F391-E419 HydrophobicContact CG-CB 3.58Å; F391-E419 HydrophobicContact CZ-CB 3.97Å; F391-E419 HydrophobicContact CZ-CG 4.05Å; F391-E419 PolarHBondContact N-O 2.77Å; F391-C420 HydrophobicContact CB-CB 3.82Å; F391-M424 WeakPolarHBondContact O-CE 3.47Å |
| 392 | T | 97.8 | Very high | 95.7 | Very high | 59 Ų | 59 | 47.4 Ų | 47.4 | 36% | 0.362 | 26% | 0.264 | S | S | . | . | trans | -66.5 | 167.1 | -179.8 | 70.9 | 0 | 0 | 0 | 0 | 112.5 | A390 D394 I395 L396 | A390-T392 PolarHBondContact O-N 3.44Å; A390-T392 VanDerWaalsContact O-N 3.16Å; T392-D394 PolarHBondContact O-N 3.34Å; T392-I395 HydrophobicContact CG2-CD1 4.38Å; T392-I395 PolarHBondContact O-N 2.71Å; T392-I395 PolarHBondContact OG1-N 2.94Å; T392-L396 VanDerWaalsContact O-CG 3.29Å; T392-L396 WeakPolarHBondContact O-CG 3.3Å; T392-L396 PolarHBondContact O-N 3.32Å | ||
| 393 | R | 97.6 | Very high | 95.7 | Very high | 159 Ų | 159 | 49 Ų | 49 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -60 | -35 | 177.2 | -67.9 | -173.7 | -174.9 | 167.8 | 2.4 | 111.7 | L396 R397 M424 | R393-L396 PolarHBondContact O-N 3.44Å; R393-R397 VanDerWaalsContact O-CB 3.31Å; R393-R397 WeakPolarHBondContact O-CB 3.08Å; R393-R397 WeakPolarHBondContact O-CD 3.21Å; R393-R397 WeakPolarHBondContact O-CG 3.38Å; R393-R397 PolarHBondContact O-N 3.15Å; R393-M424 HydrophobicContact CB-CE 4.33Å; R393-M424 HydrophobicContact CG-CE 3.6Å; R393-M424 HydrophobicContact CG-CG 4.36Å; R393-M424 HydrophobicContact CG-SD 4.34Å |
| 394 | D | 97.6 | Very high | 95.6 | Very high | 95 Ų | 95 | 57 Ų | 57 | 51% | 0.508 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.6 | -39.4 | -178.4 | -61 | -26.9 | 0 | 0 | 0 | 111.4 | T392 L396 R397 E398 | T392-D394 PolarHBondContact O-N 3.34Å; D394-L396 VanDerWaalsContact C-N 3.35Å; D394-L396 PolarHBondContact O-N 3.12Å; D394-R397 PolarHBondContact O-N 2.97Å; D394-R397 IonicContact OD1-NH1 3.77Å; D394-E398 VanDerWaalsContact O-CB 3.29Å; D394-E398 WeakPolarHBondContact O-CB 3.39Å; D394-E398 PolarHBondContact O-N 3.36Å |
| 395 | I | 98 | Very high | 95.8 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57 | -48.5 | 170.3 | -80.4 | 163.2 | 0 | 0 | 0 | 111.1 | L369 L370 I373 L381 A390 F391 T392 E398 L399 | L369-I395 HydrophobicContact CB-CD1 4.18Å; L369-I395 HydrophobicContact CD2-CD1 3.73Å; L369-I395 HydrophobicContact CD2-CG2 4.42Å; L369-I395 HydrophobicContact CG-CD1 3.91Å; L369-I395 HydrophobicContact CG-CG1 4.43Å; L370-I395 HydrophobicContact CB-CG1 4.27Å; L370-I395 HydrophobicContact CD1-CG1 4.26Å; I373-I395 HydrophobicContact CD1-CB 4.27Å; I373-I395 HydrophobicContact CD1-CG1 4.28Å; I373-I395 HydrophobicContact CD1-CG2 3.52Å; L381-I395 HydrophobicContact CD2-CG2 4.22Å; A390-I395 VanDerWaalsContact O-CD1 3.24Å; A390-I395 WeakPolarHBondContact O-CD1 3.01Å; F391-I395 HydrophobicContact CB-CG2 4.48Å; T392-I395 HydrophobicContact CG2-CD1 4.38Å; T392-I395 PolarHBondContact O-N 2.71Å; T392-I395 PolarHBondContact OG1-N 2.94Å; I395-E398 PolarHBondContact O-N 3.03Å; I395-L399 PolarHBondContact O-N 3.13Å; I395-L399 VanDerWaalsContact O-N 3.08Å |
| 396 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.8 | -37.9 | -178 | -66.1 | 165.4 | 0 | 0 | 0 | 112.3 | F391 T392 R393 D394 S400 I408 C420 M424 A425 A428 | F391-L396 HydrophobicContact CB-CD2 4.42Å; T392-L396 VanDerWaalsContact O-CG 3.29Å; T392-L396 WeakPolarHBondContact O-CG 3.3Å; T392-L396 PolarHBondContact O-N 3.32Å; R393-L396 PolarHBondContact O-N 3.44Å; D394-L396 VanDerWaalsContact C-N 3.35Å; D394-L396 PolarHBondContact O-N 3.12Å; L396-S400 WeakPolarHBondContact O-CB 3.15Å; L396-S400 PolarHBondContact O-N 2.84Å; L396-S400 VanDerWaalsContact O-N 3.07Å; L396-I408 HydrophobicContact CD2-CD1 3.55Å; L396-C420 HydrophobicContact CD1-CB 4.44Å; L396-M424 HydrophobicContact CD1-CE 4.09Å; L396-M424 HydrophobicContact CD1-CG 3.85Å; L396-A425 HydrophobicContact CD2-CB 4.4Å; L396-A428 HydrophobicContact CB-CB 3.52Å; L396-A428 HydrophobicContact CD1-CB 4.05Å; L396-A428 HydrophobicContact CG-CB 4.45Å |
| 397 | R | 98.1 | Very high | 96.6 | Very high | 133 Ų | 133 | 54.4 Ų | 54.4 | 50% | 0.502 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 174.2 | -78.5 | 168.5 | 174.4 | 168.9 | -7.8 | 111.4 | R393 D394 L399 S400 T401 A428 | R393-R397 VanDerWaalsContact O-CB 3.31Å; R393-R397 WeakPolarHBondContact O-CB 3.08Å; R393-R397 WeakPolarHBondContact O-CD 3.21Å; R393-R397 WeakPolarHBondContact O-CG 3.38Å; R393-R397 PolarHBondContact O-N 3.15Å; D394-R397 PolarHBondContact O-N 2.97Å; D394-R397 IonicContact OD1-NH1 3.77Å; R397-L399 VanDerWaalsContact C-N 3.34Å; R397-L399 PolarHBondContact O-N 3.08Å; R397-S400 CarbonylContact O-C 3.45Å; R397-S400 WeakPolarHBondContact O-CA 3.07Å; R397-S400 WeakPolarHBondContact O-CB 3.48Å; R397-S400 PolarHBondContact O-N 3.19Å; R397-T401 PolarHBondContact O-N 2.92Å; R397-T401 PolarHBondContact O-OG1 2.97Å; R397-T401 VanDerWaalsContact O-OG1 3.13Å; R397-A428 HydrophobicContact CG-CB 4.41Å |
| 398 | E | 98.2 | Very high | 97.1 | Very high | 43 Ų | 43 | 49.4 Ų | 49.4 | 20% | 0.201 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 177.2 | -173.2 | 75.1 | -132.5 | 0 | 0 | 110.7 | L370 I373 R374 D394 I395 S400 T401 I402 | L370-E398 HydrophobicContact CD1-CB 4.07Å; L370-E398 HydrophobicContact CD1-CG 4.12Å; I373-E398 HydrophobicContact CG2-CB 4.3Å; I373-E398 HydrophobicContact CG2-CG 3.78Å; R374-E398 HydrophobicContact CG-CG 3.98Å; R374-E398 IonicContact CZ-OE2 3.57Å; R374-E398 IonicContact NE-OE2 2.98Å; R374-E398 PolarHBondContact NE-OE2 3.31Å; R374-E398 IonicContact NH2-OE2 3.23Å; R374-E398 PolarHBondContact NH2-OE2 3.41Å; D394-E398 VanDerWaalsContact O-CB 3.29Å; D394-E398 WeakPolarHBondContact O-CB 3.39Å; D394-E398 PolarHBondContact O-N 3.36Å; I395-E398 PolarHBondContact O-N 3.03Å; E398-S400 VanDerWaalsContact C-N 3.29Å; E398-S400 PolarHBondContact O-N 3.19Å; E398-T401 WeakPolarHBondContact O-CB 3.34Å; E398-T401 PolarHBondContact O-N 2.75Å; E398-I402 HydrophobicContact CG-CD1 4.05Å; E398-I402 VanDerWaalsContact O-CG1 3.27Å; E398-I402 WeakPolarHBondContact O-CG1 3.4Å; E398-I402 PolarHBondContact O-N 2.79Å |
| 399 | L | 97.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.6 | -41.8 | 172.5 | -74.8 | 173.3 | 0 | 0 | 0 | 112.7 | I373 P378 L381 I395 R397 T401 I402 H403 P406 | I373-L399 HydrophobicContact CD1-CD1 4.44Å; I373-L399 HydrophobicContact CD1-CD2 4.37Å; I373-L399 HydrophobicContact CD1-CG 4.19Å; I373-L399 HydrophobicContact CG1-CD2 4.33Å; I373-L399 HydrophobicContact CG2-CD2 3.85Å; I373-L399 HydrophobicContact CG2-CG 4.13Å; P378-L399 HydrophobicContact CG-CD2 4.02Å; P378-L399 WeakPolarHBondContact O-CD2 3.35Å; L381-L399 HydrophobicContact CB-CD1 3.94Å; L381-L399 HydrophobicContact CD2-CD1 3.57Å; L381-L399 HydrophobicContact CG-CD1 4.38Å; I395-L399 PolarHBondContact O-N 3.13Å; I395-L399 VanDerWaalsContact O-N 3.08Å; R397-L399 VanDerWaalsContact C-N 3.34Å; R397-L399 PolarHBondContact O-N 3.08Å; L399-T401 VanDerWaalsContact C-N 3.34Å; L399-I402 PolarHBondContact O-N 2.8Å; L399-H403 PolarHBondContact O-N 3.22Å; L399-P406 HydrophobicContact CB-CB 4.15Å |
| 400 | S | 97.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.2 | -28 | 179.6 | -162.5 | 0 | 0 | 0 | 0 | 113.8 | L396 R397 E398 H403 T429 R432 | L396-S400 WeakPolarHBondContact O-CB 3.15Å; L396-S400 PolarHBondContact O-N 2.84Å; L396-S400 VanDerWaalsContact O-N 3.07Å; R397-S400 CarbonylContact O-C 3.45Å; R397-S400 WeakPolarHBondContact O-CA 3.07Å; R397-S400 WeakPolarHBondContact O-CB 3.48Å; R397-S400 PolarHBondContact O-N 3.19Å; E398-S400 VanDerWaalsContact C-N 3.29Å; E398-S400 PolarHBondContact O-N 3.19Å; S400-H403 VanDerWaalsContact O-O 3.06Å; S400-T429 WeakPolarHBondContact OG-CA 3.27Å; S400-R432 PolarHBondContact O-NH2 3.32Å; S400-R432 PolarHBondContact OG-NH2 3.49Å |
| 401 | T | 97.9 | Very high | 97.5 | Very high | 117 Ų | 117 | 44.6 Ų | 44.6 | 72% | 0.718 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -73 | -39.5 | 172 | -60.2 | 0 | 0 | 0 | 0 | 111 | R397 E398 L399 | R397-T401 PolarHBondContact O-N 2.92Å; R397-T401 PolarHBondContact O-OG1 2.97Å; R397-T401 VanDerWaalsContact O-OG1 3.13Å; E398-T401 WeakPolarHBondContact O-CB 3.34Å; E398-T401 PolarHBondContact O-N 2.75Å; L399-T401 VanDerWaalsContact C-N 3.34Å |
| 402 | I | 97.3 | Very high | 97.1 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -75.1 | -41 | -179 | -63.1 | 167.6 | 0 | 0 | 0 | 111.4 | I373 R377 E398 L399 | I373-I402 HydrophobicContact CG2-CD1 3.95Å; R377-I402 HydrophobicContact CB-CG2 3.81Å; R377-I402 HydrophobicContact CG-CD1 4.44Å; R377-I402 HydrophobicContact CG-CG2 4.35Å; E398-I402 HydrophobicContact CG-CD1 4.05Å; E398-I402 VanDerWaalsContact O-CG1 3.27Å; E398-I402 WeakPolarHBondContact O-CG1 3.4Å; E398-I402 PolarHBondContact O-N 2.79Å; L399-I402 PolarHBondContact O-N 2.8Å |
| 403 | H | 97.1 | Very high | 96.5 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 15% | 0.153 | 21% | 0.211 | C | C | . | . | trans | -126.4 | 136.7 | -174.2 | -68.5 | -74.9 | 0 | 0 | 0 | 112.5 | R377 P378 S379 L399 S400 T405 | R377-H403 PolarHBondContact O-NE2 3.04Å; P378-H403 PolarHBondContact O-CD2 2.94Å; P378-H403 PolarHBondContact O-NE2 3.35Å; S379-H403 VanDerWaalsContact CA-CD2 3.46Å; S379-H403 WeakPolarHBondContact CA-CD2 3.47Å; S379-H403 WeakPolarHBondContact CA-NE2 3.14Å; S379-H403 PolarHBondContact N-NE2 2.98Å; L399-H403 PolarHBondContact O-N 3.22Å; S400-H403 VanDerWaalsContact O-O 3.06Å; H403-T405 VanDerWaalsContact C-N 3.29Å; H403-T405 PolarHBondContact O-N 3.44Å | ||
| 404 | K | 96.4 | Very high | 95.7 | Very high | 170 Ų | 170 | 37.5 Ų | 37.5 | 74% | 0.739 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -60.9 | -37 | 178.5 | -174 | 179 | 176.8 | -177.4 | 0 | 113 | R432 | K404-R432 VanDerWaalsContact C-NH1 3.33Å; K404-R432 VanDerWaalsContact CA-NH1 3.33Å; K404-R432 PolarHBondContact O-NH1 3.46Å |
| 405 | T | 96.7 | Very high | 94.9 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 28% | 0.282 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -138 | 81.9 | -178 | -55.9 | 0 | 0 | 0 | 0 | 107 | T293 H403 R432 I434 | T293-T405 HydrophobicContact CG2-CG2 4.01Å; H403-T405 VanDerWaalsContact C-N 3.29Å; H403-T405 PolarHBondContact O-N 3.44Å; T405-R432 VanDerWaalsContact CG2-O 3.29Å; T405-R432 WeakPolarHBondContact CG2-O 3.29Å; T405-I434 HydrophobicContact CG2-CD1 4.17Å; T405-I434 HydrophobicContact CG2-CG1 4.04Å |
| 406 | P | 97.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | trans | -68.2 | 144.6 | 177.7 | 28.4 | -32.3 | 0 | 0 | 0 | 109.8 | L399 T429 C433 I434 | L399-P406 HydrophobicContact CB-CB 4.15Å; P406-T429 HydrophobicContact CG-CG2 3.91Å; P406-C433 HydrophobicContact CG-CB 3.89Å; P406-C433 VanDerWaalsContact O-CA 3.24Å; P406-C433 WeakPolarHBondContact O-CA 3.36Å; P406-C433 VanDerWaalsContact O-CB 3.3Å; P406-C433 WeakPolarHBondContact O-CB 3.28Å; P406-I434 PolarHBondContact O-N 3.33Å | ||
| 407 | I | 98.3 | Very high | 93.6 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 121.5 | 178.1 | -61.6 | 166.9 | 0 | 0 | 0 | 107.8 | L286 A289 T293 S379 V380 L381 F409 I434 | L286-I407 HydrophobicContact CD2-CG2 4.03Å; A289-I407 HydrophobicContact CB-CD1 3.82Å; A289-I407 HydrophobicContact CB-CG1 4.34Å; A289-I407 HydrophobicContact CB-CG2 4.49Å; T293-I407 HydrophobicContact CG2-CD1 3.97Å; T293-I407 HydrophobicContact CG2-CG1 4.22Å; S379-I407 PolarHBondContact O-N 3.38Å; V380-I407 CarbonylContact C-O 3.53Å; V380-I407 WeakPolarHBondContact CA-O 3.46Å; V380-I407 HydrophobicContact CB-CB 4.43Å; V380-I407 HydrophobicContact CG1-CB 4.3Å; V380-I407 HydrophobicContact CG1-CG2 4.07Å; V380-I407 HydrophobicContact CG2-CB 4.06Å; V380-I407 HydrophobicContact CG2-CD1 3.94Å; V380-I407 HydrophobicContact CG2-CG2 4.45Å; L381-I407 PolarHBondContact N-O 2.86Å; I407-F409 HydrophobicContact CG2-CD2 3.75Å; I407-F409 HydrophobicContact CG2-CE2 3.43Å; I407-F409 VanDerWaalsContact CG2-CE2 3.43Å; I407-I434 HydrophobicContact CG1-CB 4.32Å; I407-I434 HydrophobicContact CG1-CD1 4.18Å |
| 408 | I | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.6 | -174.1 | -59.5 | 163 | 0 | 0 | 0 | 109.3 | L381 F391 L396 V410 A425 T429 C433 I434 F435 V436 | L381-I408 WeakPolarHBondContact O-CA 3.45Å; F391-I408 HydrophobicContact CD2-CG2 4.26Å; F391-I408 HydrophobicContact CE2-CG2 4.32Å; L396-I408 HydrophobicContact CD2-CD1 3.55Å; I408-V410 HydrophobicContact CG2-CG2 4.41Å; I408-A425 HydrophobicContact CD1-CB 4.27Å; I408-T429 HydrophobicContact CD1-CG2 4.23Å; I408-C433 HydrophobicContact CD1-CB 3.94Å; I408-I434 PolarHBondContact N-O 3.38Å; I408-F435 HydrophobicContact CB-CD2 4.14Å; I408-F435 HydrophobicContact CG2-CD2 3.92Å; I408-F435 HydrophobicContact CG2-CE2 4.05Å; I408-F435 VanDerWaalsContact O-CA 3.32Å; I408-F435 WeakPolarHBondContact O-CA 3.4Å; I408-V436 PolarHBondContact O-N 2.87Å |
| 409 | F | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.3 | 174.5 | -80 | -115.8 | 0 | 0 | 0 | 109.2 | I282 L286 L381 I382 G383 I407 L411 V436 | I282-F409 HydrophobicContact CD1-CD1 3.97Å; I282-F409 HydrophobicContact CD1-CE1 4.14Å; I282-F409 HydrophobicContact CG2-CD1 3.98Å; I282-F409 HydrophobicContact CG2-CE1 4Å; L286-F409 HydrophobicContact CD2-CD2 4.34Å; L286-F409 HydrophobicContact CD2-CE2 3.68Å; L286-F409 HydrophobicContact CD2-CZ 4.05Å; L286-F409 HydrophobicContact CG-CE2 4.32Å; L286-F409 HydrophobicContact CG-CZ 4.19Å; L381-F409 PolarHBondContact O-N 2.92Å; I382-F409 HydrophobicContact CB-CB 4.34Å; I382-F409 HydrophobicContact CG1-CB 4.13Å; I382-F409 HydrophobicContact CG2-CB 4.1Å; G383-F409 PolarHBondContact N-O 3.18Å; I407-F409 HydrophobicContact CG2-CD2 3.75Å; I407-F409 HydrophobicContact CG2-CE2 3.43Å; I407-F409 VanDerWaalsContact CG2-CE2 3.43Å; F409-L411 HydrophobicContact CB-CD2 3.92Å; F409-L411 HydrophobicContact CD1-CD2 3.95Å; F409-L411 HydrophobicContact CG-CD2 4.45Å; F409-V436 CarbonylContact C-O 3.53Å; F409-V436 WeakPolarHBondContact CA-O 3.28Å; F409-V436 HydrophobicContact CD1-CB 3.63Å; F409-V436 HydrophobicContact CD1-CG1 3.75Å; F409-V436 HydrophobicContact CD1-CG2 4.2Å; F409-V436 HydrophobicContact CD2-CB 4.28Å; F409-V436 HydrophobicContact CD2-CG2 4.4Å; F409-V436 HydrophobicContact CE1-CB 3.66Å; F409-V436 HydrophobicContact CE1-CG1 3.68Å; F409-V436 HydrophobicContact CE1-CG2 3.75Å; F409-V436 HydrophobicContact CE2-CB 4.27Å; F409-V436 HydrophobicContact CE2-CG2 3.92Å; F409-V436 HydrophobicContact CG-CB 3.98Å; F409-V436 HydrophobicContact CZ-CB 3.98Å; F409-V436 HydrophobicContact CZ-CG1 4.4Å; F409-V436 HydrophobicContact CZ-CG2 3.59Å |
| 410 | V | 96.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 94.8 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 107.4 | F391 I408 S412 E419 F435 V436 S437 G438 | F391-V410 HydrophobicContact CD2-CG2 4.28Å; F391-V410 HydrophobicContact CE2-CG2 4.27Å; I408-V410 HydrophobicContact CG2-CG2 4.41Å; V410-S412 VanDerWaalsContact C-N 3.32Å; V410-S412 PolarHBondContact O-N 3.41Å; V410-E419 WeakPolarHBondContact CG1-OE2 3.28Å; V410-F435 HydrophobicContact CB-CE2 4.44Å; V410-F435 HydrophobicContact CB-CZ 4.03Å; V410-F435 HydrophobicContact CG2-CE2 3.73Å; V410-F435 HydrophobicContact CG2-CZ 3.77Å; V410-V436 PolarHBondContact N-O 3.03Å; V410-S437 CarbonylContact O-C 3.55Å; V410-S437 WeakPolarHBondContact O-CA 3.24Å; V410-G438 PolarHBondContact O-N 2.88Å |
| 411 | L | 94.5 | Very high | 93 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.147 | 22% | 0.22 | C | C | . | . | trans | -82.2 | -6 | -162.5 | -57.4 | -169.8 | 0 | 0 | 0 | 114.7 | I282 I314 I382 G383 A384 F409 N413 | I282-L411 HydrophobicContact CD1-CD1 4.36Å; I282-L411 HydrophobicContact CD1-CD2 3.39Å; I282-L411 HydrophobicContact CG1-CD1 3.99Å; I282-L411 HydrophobicContact CG1-CD2 3.92Å; I314-L411 HydrophobicContact CD1-CD1 3.6Å; I382-L411 HydrophobicContact CG2-CD1 3.64Å; I382-L411 HydrophobicContact CG2-CD2 4.46Å; I382-L411 HydrophobicContact CG2-CG 3.94Å; G383-L411 VanDerWaalsContact O-CB 3.28Å; G383-L411 WeakPolarHBondContact O-CB 3.38Å; G383-L411 VanDerWaalsContact O-CG 3.3Å; G383-L411 WeakPolarHBondContact O-CG 3.44Å; G383-L411 PolarHBondContact O-N 3.2Å; A384-L411 HydrophobicContact CB-CD1 4.2Å; F409-L411 HydrophobicContact CB-CD2 3.92Å; F409-L411 HydrophobicContact CD1-CD2 3.95Å; F409-L411 HydrophobicContact CG-CD2 4.45Å; L411-N413 PolarHBondContact O-N 3.41Å | ||
| 412 | S | 89.5 | Confident | 92.8 | Very high | 13 Ų | 13 | 34.4 Ų | 34.4 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | trans | -56.5 | 128.3 | 179.1 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | V410 Q414 L417 G438 S439 | V410-S412 VanDerWaalsContact C-N 3.32Å; V410-S412 PolarHBondContact O-N 3.41Å; S412-Q414 PolarHBondContact O-N 2.72Å; S412-Q414 PolarHBondContact OG-N 3.35Å; S412-Q414 PolarHBondContact OG-O 3.43Å; S412-L417 WeakPolarHBondContact OG-CB 3.42Å; S412-G438 CarbonylContact O-C 3.57Å; S412-G438 WeakPolarHBondContact O-CA 3.3Å; S412-S439 PolarHBondContact O-N 3.38Å; S412-S439 VanDerWaalsContact O-N 3.12Å | ||
| 413 | N | 85.2 | Confident | 92.7 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 20% | 0.198 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -73.9 | -8.7 | 171.2 | -73.7 | -37.6 | 0 | 0 | 0 | 112.5 | T108 L162 L411 G438 | T108-N413 HydrophobicContact CG2-CB 3.87Å; T108-N413 WeakPolarHBondContact CG2-O 3.09Å; L162-N413 HydrophobicContact CD2-CB 4.26Å; L411-N413 PolarHBondContact O-N 3.41Å; N413-G438 PolarHBondContact OD1-O 3.43Å |
| 414 | Q | 81.1 | Confident | 92.7 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -110.1 | 122.2 | 175 | -61.7 | -61.2 | -37.4 | 0 | 0 | 109.6 | F164 S412 N416 L417 G418 | F164-Q414 HydrophobicContact CE2-CG 4.3Å; F164-Q414 VanDerWaalsContact CE2-NE2 3.34Å; F164-Q414 VanDerWaalsContact CZ-CD 3.43Å; F164-Q414 HydrophobicContact CZ-CG 4.04Å; S412-Q414 PolarHBondContact O-N 2.72Å; S412-Q414 PolarHBondContact OG-N 3.35Å; S412-Q414 PolarHBondContact OG-O 3.43Å; Q414-N416 VanDerWaalsContact C-N 3.29Å; Q414-N416 PolarHBondContact O-N 3.04Å; Q414-L417 HydrophobicContact CB-CB 4.12Å; Q414-L417 HydrophobicContact CB-CD1 3.92Å; Q414-L417 HydrophobicContact CB-CG 4Å; Q414-L417 HydrophobicContact CG-CD1 4.19Å; Q414-L417 PolarHBondContact O-N 3.18Å; Q414-G418 PolarHBondContact O-N 2.94Å |
| 415 | S | 79.4 | Confident | 92.7 | Very high | 86 Ų | 86 | 30.5 Ų | 30.5 | 60% | 0.601 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -63 | -33.3 | -173.4 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | L417 S439 | S415-L417 VanDerWaalsContact C-N 3.32Å; S415-L417 PolarHBondContact O-N 3.07Å; S415-S439 WeakPolarHBondContact CA-OG 3.25Å |
| 416 | N | 83.3 | Confident | 92.7 | Very high | 105 Ų | 105 | 28.6 Ų | 28.6 | 56% | 0.561 | 16% | 0.161 | S | C | * | . | G | 310 helix | trans | -75.3 | -17 | 177.2 | 64.1 | -29 | 0 | 0 | 0 | 114 | S388 Q414 | S388-N416 VanDerWaalsContact CB-O 3.24Å; S388-N416 WeakPolarHBondContact CB-O 3.34Å; S388-N416 PolarHBondContact OG-O 3.01Å; Q414-N416 VanDerWaalsContact C-N 3.29Å; Q414-N416 PolarHBondContact O-N 3.04Å |
| 417 | L | 86.9 | Confident | 92.6 | Very high | 43 Ų | 43 | 34 Ų | 34 | 23% | 0.225 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -100.2 | -0 | 179.8 | -59.6 | -179.2 | 0 | 0 | 0 | 113.3 | A386 S412 Q414 S415 | A386-L417 CarbonylContact C-O 3.55Å; A386-L417 VanDerWaalsContact CA-O 3.23Å; A386-L417 WeakPolarHBondContact CA-O 3.36Å; A386-L417 HydrophobicContact CB-CB 4.22Å; S412-L417 WeakPolarHBondContact OG-CB 3.42Å; Q414-L417 HydrophobicContact CB-CB 4.12Å; Q414-L417 HydrophobicContact CB-CD1 3.92Å; Q414-L417 HydrophobicContact CB-CG 4Å; Q414-L417 HydrophobicContact CG-CD1 4.19Å; Q414-L417 PolarHBondContact O-N 3.18Å; S415-L417 VanDerWaalsContact C-N 3.32Å; S415-L417 PolarHBondContact O-N 3.07Å |
| 418 | G | 90.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -67 | 142.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S388 Q414 C420 | S388-G418 WeakPolarHBondContact CA-O 3.4Å; Q414-G418 PolarHBondContact O-N 2.94Å; G418-C420 PolarHBondContact O-N 3.05Å; G418-C420 VanDerWaalsContact O-N 3.16Å |
| 419 | E | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -60.3 | -27.1 | -177.4 | -69.6 | 77.7 | -176.5 | 0 | 0 | 113.5 | Y305 G383 A384 S385 A386 Q387 G389 A390 F391 V410 | Y305-E419 HydrophobicContact CD1-CG 4.14Å; G383-E419 VanDerWaalsContact C-OE1 3.26Å; G383-E419 VanDerWaalsContact CA-CD 3.44Å; A384-E419 PolarHBondContact N-OE1 2.86Å; S385-E419 WeakPolarHBondContact CA-OE1 3.11Å; S385-E419 WeakPolarHBondContact CB-OE1 3.4Å; S385-E419 PolarHBondContact N-OE1 3.3Å; S385-E419 WeakPolarHBondContact OG-CG 3.47Å; S385-E419 PolarHBondContact OG-OE1 3.39Å; A386-E419 PolarHBondContact N-OE1 2.68Å; A386-E419 VanDerWaalsContact N-OE1 3.16Å; Q387-E419 WeakPolarHBondContact O-CA 3.45Å; G389-E419 CarbonylContact C-O 3.52Å; G389-E419 VanDerWaalsContact C-O 3.26Å; G389-E419 VanDerWaalsContact CA-O 3.22Å; G389-E419 WeakPolarHBondContact CA-O 3.4Å; G389-E419 PolarHBondContact N-O 2.88Å; A390-E419 HydrophobicContact CB-CB 4.26Å; A390-E419 HydrophobicContact CB-CG 4.11Å; A390-E419 PolarHBondContact N-O 3.32Å; A390-E419 VanDerWaalsContact N-O 3.17Å; F391-E419 HydrophobicContact CB-CB 4.18Å; F391-E419 HydrophobicContact CD1-CB 3.74Å; F391-E419 HydrophobicContact CD1-CG 4.23Å; F391-E419 HydrophobicContact CD2-CB 3.62Å; F391-E419 HydrophobicContact CE1-CB 3.93Å; F391-E419 HydrophobicContact CE1-CG 3.98Å; F391-E419 HydrophobicContact CE2-CB 3.82Å; F391-E419 HydrophobicContact CE2-CG 4.34Å; F391-E419 HydrophobicContact CG-CB 3.58Å; F391-E419 HydrophobicContact CZ-CB 3.97Å; F391-E419 HydrophobicContact CZ-CG 4.05Å; F391-E419 PolarHBondContact N-O 2.77Å; V410-E419 WeakPolarHBondContact CG1-OE2 3.28Å |
| 420 | C | 96.2 | Very high | 92.4 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 8% | 0.081 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -156.5 | 172.1 | 164 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | F391 L396 G418 | F391-C420 HydrophobicContact CB-CB 3.82Å; L396-C420 HydrophobicContact CD1-CB 4.44Å; G418-C420 PolarHBondContact O-N 3.05Å; G418-C420 VanDerWaalsContact O-N 3.16Å |
| 421 | T | 95.3 | Very high | 92.3 | Very high | 79 Ų | 79 | 43 Ų | 43 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | trans | -88.6 | 152.7 | 172.4 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | Q423 M424 A425 | T421-Q423 VanDerWaalsContact C-N 3.26Å; T421-Q423 PolarHBondContact O-N 2.92Å; T421-M424 PolarHBondContact O-N 2.91Å; T421-M424 VanDerWaalsContact O-N 3.1Å; T421-M424 WeakPolarHBondContact OG1-CB 3.2Å; T421-M424 PolarHBondContact OG1-N 3.14Å; T421-A425 PolarHBondContact O-N 3.36Å | ||
| 422 | S | 94.7 | Very high | 92.3 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 8% | 0.077 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.4 | -43.1 | 173.4 | 59.1 | 0 | 0 | 0 | 0 | 111.9 | M424 A425 Y426 P454 | S422-M424 VanDerWaalsContact C-N 3.32Å; S422-M424 PolarHBondContact O-N 3.44Å; S422-A425 PolarHBondContact O-N 3.44Å; S422-Y426 WeakPolarHBondContact O-CD2 3.49Å; S422-Y426 PolarHBondContact O-N 3.08Å; S422-P454 VanDerWaalsContact CB-CG 3.49Å |
| 423 | Q | 95 | Very high | 92.6 | Very high | 97 Ų | 97 | 45.4 Ų | 45.4 | 45% | 0.453 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 178.3 | -167.8 | -175.3 | 34.6 | 0 | 0 | 112.3 | T421 K427 V444 | T421-Q423 VanDerWaalsContact C-N 3.26Å; T421-Q423 PolarHBondContact O-N 2.92Å; Q423-K427 HydrophobicContact CG-CD 4.18Å; Q423-K427 WeakPolarHBondContact O-CB 3.08Å; Q423-K427 VanDerWaalsContact O-CG 3.3Å; Q423-K427 WeakPolarHBondContact O-CG 3.43Å; Q423-K427 PolarHBondContact O-N 3.44Å; Q423-V444 HydrophobicContact CB-CG2 4.27Å; Q423-V444 HydrophobicContact CG-CG1 4.24Å |
| 424 | M | 95.9 | Very high | 93.2 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.9 | -44.5 | 177.4 | 177.8 | 162.9 | 160.1 | 0 | 0 | 111.5 | F391 R393 L396 T421 S422 K427 A428 | F391-M424 WeakPolarHBondContact O-CE 3.47Å; R393-M424 HydrophobicContact CB-CE 4.33Å; R393-M424 HydrophobicContact CG-CE 3.6Å; R393-M424 HydrophobicContact CG-CG 4.36Å; R393-M424 HydrophobicContact CG-SD 4.34Å; L396-M424 HydrophobicContact CD1-CE 4.09Å; L396-M424 HydrophobicContact CD1-CG 3.85Å; T421-M424 PolarHBondContact O-N 2.91Å; T421-M424 VanDerWaalsContact O-N 3.1Å; T421-M424 WeakPolarHBondContact OG1-CB 3.2Å; T421-M424 PolarHBondContact OG1-N 3.14Å; S422-M424 VanDerWaalsContact C-N 3.32Å; S422-M424 PolarHBondContact O-N 3.44Å; M424-K427 PolarHBondContact O-N 3.28Å; M424-A428 VanDerWaalsContact O-CB 3.23Å; M424-A428 WeakPolarHBondContact O-CB 3.21Å; M424-A428 PolarHBondContact O-N 3.01Å |
| 425 | A | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58 | -50.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L396 I408 T421 S422 A428 T429 F435 | L396-A425 HydrophobicContact CD2-CB 4.4Å; I408-A425 HydrophobicContact CD1-CB 4.27Å; T421-A425 PolarHBondContact O-N 3.36Å; S422-A425 PolarHBondContact O-N 3.44Å; A425-A428 PolarHBondContact O-N 3.31Å; A425-T429 WeakPolarHBondContact O-CB 3.48Å; A425-T429 VanDerWaalsContact O-CG2 3.22Å; A425-T429 WeakPolarHBondContact O-CG2 3.5Å; A425-T429 PolarHBondContact O-N 2.72Å; A425-T429 VanDerWaalsContact O-N 3.11Å; A425-T429 PolarHBondContact O-OG1 2.81Å; A425-F435 HydrophobicContact CB-CD2 3.39Å; A425-F435 HydrophobicContact CB-CE2 3.67Å; A425-F435 HydrophobicContact CB-CG 4.34Å |
| 426 | Y | 96.2 | Very high | 94.8 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -47.7 | 177.7 | -65.3 | -49.5 | 0 | 0 | 0 | 112.2 | S422 A428 T429 E430 W431 C433 F435 V444 L452 P454 | S422-Y426 WeakPolarHBondContact O-CD2 3.49Å; S422-Y426 PolarHBondContact O-N 3.08Å; Y426-A428 PolarHBondContact O-N 2.76Å; Y426-T429 CarbonylContact O-C 3.34Å; Y426-T429 PolarHBondContact O-N 3.28Å; Y426-T429 PolarHBondContact O-OG1 3.02Å; Y426-E430 PolarHBondContact O-N 2.77Å; Y426-E430 VanDerWaalsContact O-N 3.15Å; Y426-W431 WeakPolarHBondContact O-CA 3.21Å; Y426-W431 PolarHBondContact O-N 3.37Å; Y426-C433 WeakPolarHBondContact CD1-SG 3.19Å; Y426-C433 WeakPolarHBondContact CE1-O 3.3Å; Y426-F435 HydrophobicContact CE1-CB 3.89Å; Y426-V444 HydrophobicContact CD2-CB 4.03Å; Y426-V444 HydrophobicContact CD2-CG1 4.24Å; Y426-V444 HydrophobicContact CD2-CG2 4.01Å; Y426-V444 HydrophobicContact CE2-CB 4.27Å; Y426-V444 HydrophobicContact CE2-CG2 4.15Å; Y426-L452 HydrophobicContact CD1-CD1 3.75Å; Y426-L452 HydrophobicContact CD2-CB 4.46Å; Y426-L452 HydrophobicContact CD2-CD1 4Å; Y426-L452 HydrophobicContact CE1-CD1 3.92Å; Y426-L452 HydrophobicContact CE2-CB 3.91Å; Y426-L452 HydrophobicContact CE2-CD1 4.14Å; Y426-L452 HydrophobicContact CG-CD1 3.81Å; Y426-P454 HydrophobicContact CE2-CG 4Å |
| 427 | K | 96.9 | Very high | 95.3 | Very high | 114 Ų | 114 | 34.3 Ų | 34.3 | 50% | 0.496 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.6 | -44 | -179.8 | -78 | 177 | 177.6 | 176.8 | 0 | 112.6 | Q423 M424 T429 E430 W431 | Q423-K427 HydrophobicContact CG-CD 4.18Å; Q423-K427 WeakPolarHBondContact O-CB 3.08Å; Q423-K427 VanDerWaalsContact O-CG 3.3Å; Q423-K427 WeakPolarHBondContact O-CG 3.43Å; Q423-K427 PolarHBondContact O-N 3.44Å; M424-K427 PolarHBondContact O-N 3.28Å; K427-T429 PolarHBondContact O-N 3.27Å; K427-E430 PolarHBondContact O-N 3.18Å; K427-W431 HydrophobicContact CB-CH2 4.49Å; K427-W431 HydrophobicContact CD-CH2 4.24Å; K427-W431 HydrophobicContact CG-CH2 3.32Å; K427-W431 HydrophobicContact CG-CZ2 3.76Å; K427-W431 HydrophobicContact CG-CZ3 3.89Å |
| 428 | A | 97.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.7 | -21.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L396 R397 M424 A425 Y426 | L396-A428 HydrophobicContact CB-CB 3.52Å; L396-A428 HydrophobicContact CD1-CB 4.05Å; L396-A428 HydrophobicContact CG-CB 4.45Å; R397-A428 HydrophobicContact CG-CB 4.41Å; M424-A428 VanDerWaalsContact O-CB 3.23Å; M424-A428 WeakPolarHBondContact O-CB 3.21Å; M424-A428 PolarHBondContact O-N 3.01Å; A425-A428 PolarHBondContact O-N 3.31Å; Y426-A428 PolarHBondContact O-N 2.76Å |
| 429 | T | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 18.1 | 178.7 | 65.2 | 0 | 0 | 0 | 0 | 112.8 | S400 P406 I408 A425 Y426 K427 W431 R432 C433 | S400-T429 WeakPolarHBondContact OG-CA 3.27Å; P406-T429 HydrophobicContact CG-CG2 3.91Å; I408-T429 HydrophobicContact CD1-CG2 4.23Å; A425-T429 WeakPolarHBondContact O-CB 3.48Å; A425-T429 VanDerWaalsContact O-CG2 3.22Å; A425-T429 WeakPolarHBondContact O-CG2 3.5Å; A425-T429 PolarHBondContact O-N 2.72Å; A425-T429 VanDerWaalsContact O-N 3.11Å; A425-T429 PolarHBondContact O-OG1 2.81Å; Y426-T429 CarbonylContact O-C 3.34Å; Y426-T429 PolarHBondContact O-N 3.28Å; Y426-T429 PolarHBondContact O-OG1 3.02Å; K427-T429 PolarHBondContact O-N 3.27Å; T429-W431 PolarHBondContact O-N 3.39Å; T429-R432 WeakPolarHBondContact O-CB 2.96Å; T429-R432 PolarHBondContact O-N 3.31Å; T429-C433 HydrophobicContact CG2-CB 3.91Å; T429-C433 VanDerWaalsContact OG1-CB 3.3Å; T429-C433 WeakPolarHBondContact OG1-CB 3.49Å; T429-C433 PolarHBondContact OG1-N 2.88Å; T429-C433 PolarHBondContact OG1-SG 3.2Å |
| 430 | E | 95.8 | Very high | 95.1 | Very high | 125 Ų | 125 | 34.9 Ų | 34.9 | 58% | 0.584 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 38 | 178.8 | -56.6 | 165 | 163.9 | 0 | 0 | 113.1 | Y426 K427 R432 | Y426-E430 PolarHBondContact O-N 2.77Å; Y426-E430 VanDerWaalsContact O-N 3.15Å; K427-E430 PolarHBondContact O-N 3.18Å; E430-R432 PolarHBondContact O-N 3.04Å; E430-R432 IonicContact OE2-CZ 3.64Å; E430-R432 IonicContact OE2-NE 2.85Å; E430-R432 PolarHBondContact OE2-NE 2.88Å; E430-R432 IonicContact OE2-NH2 3.53Å; E430-R432 PolarHBondContact OE2-NH2 3.47Å |
| 431 | W | 94.7 | Very high | 94.7 | Very high | 59 Ų | 59 | 36.1 Ų | 36.1 | 22% | 0.223 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 20.3 | 179 | -36.9 | 97.9 | 0 | 0 | 0 | 114 | Y426 K427 T429 V444 T446 P447 L452 | Y426-W431 WeakPolarHBondContact O-CA 3.21Å; Y426-W431 PolarHBondContact O-N 3.37Å; K427-W431 HydrophobicContact CB-CH2 4.49Å; K427-W431 HydrophobicContact CD-CH2 4.24Å; K427-W431 HydrophobicContact CG-CH2 3.32Å; K427-W431 HydrophobicContact CG-CZ2 3.76Å; K427-W431 HydrophobicContact CG-CZ3 3.89Å; T429-W431 PolarHBondContact O-N 3.39Å; W431-V444 HydrophobicContact CZ3-CG1 3.81Å; W431-T446 HydrophobicContact CB-CG2 4.28Å; W431-T446 HydrophobicContact CD2-CG2 4.03Å; W431-T446 HydrophobicContact CE3-CG2 3.81Å; W431-T446 HydrophobicContact CG-CG2 4.21Å; W431-T446 HydrophobicContact CZ3-CG2 4.5Å; W431-P447 HydrophobicContact CZ2-CG 3.99Å; W431-L452 HydrophobicContact CB-CD1 4.46Å; W431-L452 HydrophobicContact CE3-CD1 4.35Å |
| 432 | R | 94.2 | Very high | 94.3 | Very high | 81 Ų | 81 | 40 Ų | 40 | 31% | 0.306 | 19% | 0.194 | S | C | . | . | trans | -100.8 | -19.4 | -176.2 | -61.4 | -174.7 | -79.4 | 128 | -9.7 | 114.8 | S400 K404 T405 T429 E430 | S400-R432 PolarHBondContact O-NH2 3.32Å; S400-R432 PolarHBondContact OG-NH2 3.49Å; K404-R432 VanDerWaalsContact C-NH1 3.33Å; K404-R432 VanDerWaalsContact CA-NH1 3.33Å; K404-R432 PolarHBondContact O-NH1 3.46Å; T405-R432 VanDerWaalsContact CG2-O 3.29Å; T405-R432 WeakPolarHBondContact CG2-O 3.29Å; T429-R432 WeakPolarHBondContact O-CB 2.96Å; T429-R432 PolarHBondContact O-N 3.31Å; E430-R432 PolarHBondContact O-N 3.04Å; E430-R432 IonicContact OE2-CZ 3.64Å; E430-R432 IonicContact OE2-NE 2.85Å; E430-R432 PolarHBondContact OE2-NE 2.88Å; E430-R432 IonicContact OE2-NH2 3.53Å; E430-R432 PolarHBondContact OE2-NH2 3.47Å | ||
| 433 | C | 96.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | trans | -70.5 | 151.6 | -176 | 71.3 | 0 | 0 | 0 | 0 | 113.4 | P406 I408 Y426 T429 | P406-C433 HydrophobicContact CG-CB 3.89Å; P406-C433 VanDerWaalsContact O-CA 3.24Å; P406-C433 WeakPolarHBondContact O-CA 3.36Å; P406-C433 VanDerWaalsContact O-CB 3.3Å; P406-C433 WeakPolarHBondContact O-CB 3.28Å; I408-C433 HydrophobicContact CD1-CB 3.94Å; Y426-C433 WeakPolarHBondContact CD1-SG 3.19Å; Y426-C433 WeakPolarHBondContact CE1-O 3.3Å; T429-C433 HydrophobicContact CG2-CB 3.91Å; T429-C433 VanDerWaalsContact OG1-CB 3.3Å; T429-C433 WeakPolarHBondContact OG1-CB 3.49Å; T429-C433 PolarHBondContact OG1-N 2.88Å; T429-C433 PolarHBondContact OG1-SG 3.2Å | ||
| 434 | I | 96.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.062 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.3 | 159 | -64.6 | 171.1 | 0 | 0 | 0 | 106.7 | A289 V292 T293 T405 P406 I407 I408 M504 | A289-I434 HydrophobicContact CB-CD1 3.95Å; V292-I434 HydrophobicContact CB-CD1 3.73Å; V292-I434 HydrophobicContact CG1-CD1 3.78Å; V292-I434 HydrophobicContact CG1-CG1 4.36Å; V292-I434 HydrophobicContact CG2-CD1 4.35Å; T293-I434 HydrophobicContact CG2-CD1 3.92Å; T405-I434 HydrophobicContact CG2-CD1 4.17Å; T405-I434 HydrophobicContact CG2-CG1 4.04Å; P406-I434 PolarHBondContact O-N 3.33Å; I407-I434 HydrophobicContact CG1-CB 4.32Å; I407-I434 HydrophobicContact CG1-CD1 4.18Å; I408-I434 PolarHBondContact N-O 3.38Å; I434-M504 HydrophobicContact CD1-SD 4.35Å; I434-M504 HydrophobicContact CG2-CE 4.3Å; I434-M504 HydrophobicContact CG2-CG 3.63Å; I434-M504 HydrophobicContact CG2-SD 3.6Å; I434-M504 VanDerWaalsContact CG2-SD 3.6Å |
| 435 | F | 96.5 | Very high | 94 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.9 | -178.6 | -172.9 | -84.8 | 0 | 0 | 0 | 111.2 | I408 V410 A425 Y426 P454 | I408-F435 HydrophobicContact CB-CD2 4.14Å; I408-F435 HydrophobicContact CG2-CD2 3.92Å; I408-F435 HydrophobicContact CG2-CE2 4.05Å; I408-F435 VanDerWaalsContact O-CA 3.32Å; I408-F435 WeakPolarHBondContact O-CA 3.4Å; V410-F435 HydrophobicContact CB-CE2 4.44Å; V410-F435 HydrophobicContact CB-CZ 4.03Å; V410-F435 HydrophobicContact CG2-CE2 3.73Å; V410-F435 HydrophobicContact CG2-CZ 3.77Å; A425-F435 HydrophobicContact CB-CD2 3.39Å; A425-F435 HydrophobicContact CB-CE2 3.67Å; A425-F435 HydrophobicContact CB-CG 4.34Å; Y426-F435 HydrophobicContact CE1-CB 3.89Å; F435-P454 HydrophobicContact CD1-CB 3.98Å |
| 436 | V | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.5 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | I408 F409 V410 S455 M504 Y505 | I408-V436 PolarHBondContact O-N 2.87Å; F409-V436 CarbonylContact C-O 3.53Å; F409-V436 WeakPolarHBondContact CA-O 3.28Å; F409-V436 HydrophobicContact CD1-CB 3.63Å; F409-V436 HydrophobicContact CD1-CG1 3.75Å; F409-V436 HydrophobicContact CD1-CG2 4.2Å; F409-V436 HydrophobicContact CD2-CB 4.28Å; F409-V436 HydrophobicContact CD2-CG2 4.4Å; F409-V436 HydrophobicContact CE1-CB 3.66Å; F409-V436 HydrophobicContact CE1-CG1 3.68Å; F409-V436 HydrophobicContact CE1-CG2 3.75Å; F409-V436 HydrophobicContact CE2-CB 4.27Å; F409-V436 HydrophobicContact CE2-CG2 3.92Å; F409-V436 HydrophobicContact CG-CB 3.98Å; F409-V436 HydrophobicContact CZ-CB 3.98Å; F409-V436 HydrophobicContact CZ-CG1 4.4Å; F409-V436 HydrophobicContact CZ-CG2 3.59Å; V410-V436 PolarHBondContact N-O 3.03Å; V436-S455 WeakPolarHBondContact CA-O 3.35Å; V436-M504 HydrophobicContact CG2-CB 4.09Å; V436-M504 HydrophobicContact CG2-CG 3.83Å; V436-Y505 HydrophobicContact CG1-CE2 3.73Å; V436-Y505 HydrophobicContact CG2-CE2 4.37Å |
| 437 | S | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 153.1 | 174.1 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | V410 S439 S441 S455 Q456 G457 | V410-S437 CarbonylContact O-C 3.55Å; V410-S437 WeakPolarHBondContact O-CA 3.24Å; S437-S439 WeakPolarHBondContact CB-O 3.23Å; S437-S439 PolarHBondContact OG-O 2.71Å; S437-S441 PolarHBondContact OG-OG 3.26Å; S437-S455 PolarHBondContact N-O 2.7Å; S437-Q456 CarbonylContact O-C 3.13Å; S437-Q456 WeakPolarHBondContact O-CA 3.05Å; S437-G457 PolarHBondContact O-N 3.44Å |
| 438 | G | 91.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -74.7 | -28.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V410 S412 N413 Q456 | V410-G438 PolarHBondContact O-N 2.88Å; S412-G438 CarbonylContact O-C 3.57Å; S412-G438 WeakPolarHBondContact O-CA 3.3Å; N413-G438 PolarHBondContact OD1-O 3.43Å; G438-Q456 WeakPolarHBondContact O-CG 3.06Å; G438-Q456 PolarHBondContact O-NE2 3.09Å |
| 439 | S | 88.3 | Confident | 93 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -96.2 | 159.3 | 175.5 | 65.9 | 0 | 0 | 0 | 0 | 112.6 | S412 S415 S437 | S412-S439 PolarHBondContact O-N 3.38Å; S412-S439 VanDerWaalsContact O-N 3.12Å; S415-S439 WeakPolarHBondContact CA-OG 3.25Å; S437-S439 WeakPolarHBondContact CB-O 3.23Å; S437-S439 PolarHBondContact OG-O 2.71Å |
| 440 | P | 87.9 | Confident | 92.6 | Very high | 52 Ų | 52 | 58.6 Ų | 58.6 | 34% | 0.338 | 29% | 0.289 | S | S | . | . | trans | -56.3 | 144.8 | 167 | -22.8 | 34.5 | 0 | 0 | 0 | 111.3 | ||||
| 441 | S | 88 | Confident | 92.4 | Very high | 38 Ų | 38 | 57.5 Ų | 57.5 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | trans | -134.9 | 139.5 | 178.1 | -70.7 | 0 | 0 | 0 | 0 | 110 | S437 | S437-S441 PolarHBondContact OG-OG 3.26Š| ||
| 442 | E | 88.5 | Confident | 92.1 | Very high | 159 Ų | 159 | 55.9 Ų | 55.9 | 74% | 0.743 | 28% | 0.281 | S | S | * | . | trans | -65.8 | 146.2 | 175.5 | -68.9 | -57 | 138 | 0 | 0 | 111.6 | ||||
| 443 | P | 92 | Very high | 91.9 | Very high | 69 Ų | 69 | 56.5 Ų | 56.5 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | trans | -59 | 140.6 | 170.5 | -21 | 32.3 | 0 | 0 | 0 | 111.7 | I451 L452 K453 | P443-I451 HydrophobicContact CB-CG2 3.6Å; P443-L452 CarbonylContact C-O 3.51Å; P443-L452 WeakPolarHBondContact CA-O 3.48Å; P443-K453 HydrophobicContact CB-CG 4.38Å | ||
| 444 | V | 92.5 | Very high | 91.6 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.6 | -179.4 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | Q423 Y426 W431 L452 | Q423-V444 HydrophobicContact CB-CG2 4.27Å; Q423-V444 HydrophobicContact CG-CG1 4.24Å; Y426-V444 HydrophobicContact CD2-CB 4.03Å; Y426-V444 HydrophobicContact CD2-CG1 4.24Å; Y426-V444 HydrophobicContact CD2-CG2 4.01Å; Y426-V444 HydrophobicContact CE2-CB 4.27Å; Y426-V444 HydrophobicContact CE2-CG2 4.15Å; W431-V444 HydrophobicContact CZ3-CG1 3.81Å; V444-L452 PolarHBondContact N-O 2.8Å; V444-L452 PolarHBondContact O-N 2.67Å |
| 445 | R | 93.3 | Very high | 91.3 | Very high | 172 Ų | 172 | 56.3 Ų | 56.3 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.6 | 173.7 | -171.3 | 175 | 178.8 | 170 | 1.1 | 110.6 | N449 R450 | R445-N449 VanDerWaalsContact CZ-OD1 3.25Å; R445-N449 PolarHBondContact NE-OD1 3.41Å; R445-N449 PolarHBondContact NH2-OD1 2.72Å; R445-R450 WeakPolarHBondContact CA-O 3.48Å |
| 446 | T | 91.5 | Very high | 91 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.025 | 29% | 0.293 | C | S | . | . | trans | -85 | 164.2 | 175.7 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | W431 D448 N449 R450 L452 | W431-T446 HydrophobicContact CB-CG2 4.28Å; W431-T446 HydrophobicContact CD2-CG2 4.03Å; W431-T446 HydrophobicContact CE3-CG2 3.81Å; W431-T446 HydrophobicContact CG-CG2 4.21Å; W431-T446 HydrophobicContact CZ3-CG2 4.5Å; T446-D448 WeakPolarHBondContact CB-OD1 3.48Å; T446-D448 PolarHBondContact O-N 2.65Å; T446-D448 PolarHBondContact OG1-OD1 3.2Å; T446-N449 PolarHBondContact O-N 2.74Å; T446-R450 HydrophobicContact CG2-CB 4.29Å; T446-R450 PolarHBondContact N-O 2.83Å; T446-R450 WeakPolarHBondContact OG1-CA 3.47Å; T446-R450 WeakPolarHBondContact OG1-CB 3.27Å; T446-R450 PolarHBondContact OG1-N 3.06Å; T446-R450 PolarHBondContact OG1-O 3.46Å; T446-R450 VanDerWaalsContact OG1-O 3.12Å; T446-L452 HydrophobicContact CG2-CD1 3.74Å; T446-L452 HydrophobicContact CG2-CG 3.86Å | ||
| 447 | P | 93.2 | Very high | 90.9 | Very high | 104 Ų | 104 | 58 Ų | 58 | 68% | 0.675 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -28.4 | 176.3 | -26 | 35.7 | 0 | 0 | 0 | 114.4 | W431 N449 | W431-P447 HydrophobicContact CZ2-CG 3.99Å; P447-N449 VanDerWaalsContact C-N 3.28Å; P447-N449 PolarHBondContact O-N 3.25Å |
| 448 | D | 91.7 | Very high | 90.8 | Very high | 91 Ų | 91 | 58 Ų | 58 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 19 | 175.8 | 64.4 | -25.2 | 0 | 0 | 0 | 113.4 | T446 R450 | T446-D448 WeakPolarHBondContact CB-OD1 3.48Å; T446-D448 PolarHBondContact O-N 2.65Å; T446-D448 PolarHBondContact OG1-OD1 3.2Å; D448-R450 VanDerWaalsContact C-N 3.25Å; D448-R450 PolarHBondContact O-N 3.48Å; D448-R450 IonicContact OD1-CZ 3.32Å; D448-R450 IonicContact OD1-NE 3.36Å; D448-R450 PolarHBondContact OD1-NE 3.18Å; D448-R450 IonicContact OD1-NH2 3.17Å; D448-R450 IonicContact OD2-CZ 2.72Å; D448-R450 IonicContact OD2-NE 3.3Å; D448-R450 PolarHBondContact OD2-NE 3.21Å; D448-R450 IonicContact OD2-NH2 3.9Å; D448-R450 PolarHBondContact OD2-NH2 2.85Å |
| 449 | N | 90.7 | Very high | 90.9 | Very high | 104 Ų | 104 | 58.5 Ų | 58.5 | 56% | 0.556 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 65.7 | 11.1 | 176.3 | -64.8 | -40.6 | 0 | 0 | 0 | 116.9 | R445 T446 P447 | R445-N449 VanDerWaalsContact CZ-OD1 3.25Å; R445-N449 PolarHBondContact NE-OD1 3.41Å; R445-N449 PolarHBondContact NH2-OD1 2.72Å; T446-N449 PolarHBondContact O-N 2.74Å; P447-N449 VanDerWaalsContact C-N 3.28Å; P447-N449 PolarHBondContact O-N 3.25Å |
| 450 | R | 89.3 | Confident | 91.3 | Very high | 125 Ų | 125 | 58.3 Ų | 58.3 | 47% | 0.472 | 30% | 0.296 | S | S | . | . | trans | -69.1 | 148.3 | 167.1 | -62.4 | -179.5 | -73.2 | 153.3 | 0.4 | 109.8 | R445 T446 D448 | R445-R450 WeakPolarHBondContact CA-O 3.48Å; T446-R450 HydrophobicContact CG2-CB 4.29Å; T446-R450 PolarHBondContact N-O 2.83Å; T446-R450 WeakPolarHBondContact OG1-CA 3.47Å; T446-R450 WeakPolarHBondContact OG1-CB 3.27Å; T446-R450 PolarHBondContact OG1-N 3.06Å; T446-R450 PolarHBondContact OG1-O 3.46Å; T446-R450 VanDerWaalsContact OG1-O 3.12Å; D448-R450 VanDerWaalsContact C-N 3.25Å; D448-R450 PolarHBondContact O-N 3.48Å; D448-R450 IonicContact OD1-CZ 3.32Å; D448-R450 IonicContact OD1-NE 3.36Å; D448-R450 PolarHBondContact OD1-NE 3.18Å; D448-R450 IonicContact OD1-NH2 3.17Å; D448-R450 IonicContact OD2-CZ 2.72Å; D448-R450 IonicContact OD2-NE 3.3Å; D448-R450 PolarHBondContact OD2-NE 3.21Å; D448-R450 IonicContact OD2-NH2 3.9Å; D448-R450 PolarHBondContact OD2-NH2 2.85Å | ||
| 451 | I | 90.8 | Very high | 91.8 | Very high | 103 Ų | 103 | 56.3 Ų | 56.3 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 109.9 | 174.3 | -59.9 | 176.5 | 0 | 0 | 0 | 107.1 | P443 K453 | P443-I451 HydrophobicContact CB-CG2 3.6Å; I451-K453 HydrophobicContact CG2-CG 4.37Å |
| 452 | L | 89.4 | Confident | 92.2 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.1 | 173.1 | -57.6 | 177.9 | 0 | 0 | 0 | 108.3 | Y426 W431 P443 V444 T446 P454 | Y426-L452 HydrophobicContact CD1-CD1 3.75Å; Y426-L452 HydrophobicContact CD2-CB 4.46Å; Y426-L452 HydrophobicContact CD2-CD1 4Å; Y426-L452 HydrophobicContact CE1-CD1 3.92Å; Y426-L452 HydrophobicContact CE2-CB 3.91Å; Y426-L452 HydrophobicContact CE2-CD1 4.14Å; Y426-L452 HydrophobicContact CG-CD1 3.81Å; W431-L452 HydrophobicContact CB-CD1 4.46Å; W431-L452 HydrophobicContact CE3-CD1 4.35Å; P443-L452 CarbonylContact C-O 3.51Å; P443-L452 WeakPolarHBondContact CA-O 3.48Å; V444-L452 PolarHBondContact N-O 2.8Å; V444-L452 PolarHBondContact O-N 2.67Å; T446-L452 HydrophobicContact CG2-CD1 3.74Å; T446-L452 HydrophobicContact CG2-CG 3.86Å; L452-P454 WeakPolarHBondContact O-CD 3.44Å |
| 453 | K | 89.9 | Confident | 92.7 | Very high | 94 Ų | 94 | 47 Ų | 47 | 41% | 0.409 | 23% | 0.234 | S | C | . | . | trans | -104.7 | 103.7 | 175.4 | -65.3 | -178.4 | -175.4 | 173.3 | 0 | 109 | P443 I451 S455 Q501 | P443-K453 HydrophobicContact CB-CG 4.38Å; I451-K453 HydrophobicContact CG2-CG 4.37Å; K453-S455 PolarHBondContact O-N 2.86Å; K453-Q501 PolarHBondContact N-O 3.22Å | ||
| 454 | P | 89.7 | Confident | 93 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | trans | -60.5 | 132.9 | 175.7 | -15.9 | 27.8 | 0 | 0 | 0 | 110.2 | S422 Y426 F435 L452 | S422-P454 VanDerWaalsContact CB-CG 3.49Å; Y426-P454 HydrophobicContact CE2-CG 4Å; F435-P454 HydrophobicContact CD1-CB 3.98Å; L452-P454 WeakPolarHBondContact O-CD 3.44Å | ||
| 455 | S | 90.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 144.4 | 174.3 | -79.4 | 0 | 0 | 0 | 0 | 112.3 | V436 S437 K453 S503 M504 | V436-S455 WeakPolarHBondContact CA-O 3.35Å; S437-S455 PolarHBondContact N-O 2.7Å; K453-S455 PolarHBondContact O-N 2.86Å; S455-S503 WeakPolarHBondContact OG-CA 3.36Å; S455-S503 PolarHBondContact OG-OG 2.94Å; S455-M504 PolarHBondContact OG-N 3.4Å |
| 456 | Q | 91.7 | Very high | 93.5 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 104.8 | 163.1 | -167.9 | -174.1 | 3.1 | 0 | 0 | 110.6 | S437 G438 N458 | S437-Q456 CarbonylContact O-C 3.13Å; S437-Q456 WeakPolarHBondContact O-CA 3.05Å; G438-Q456 WeakPolarHBondContact O-CG 3.06Å; G438-Q456 PolarHBondContact O-NE2 3.09Å; Q456-N458 VanDerWaalsContact C-N 3.32Å; Q456-N458 HydrophobicContact CG-CB 4.04Å; Q456-N458 PolarHBondContact O-N 2.81Å; Q456-N458 VanDerWaalsContact O-N 3.1Å |
| 457 | G | 93.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 34.7 Ų | 34.7 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | trans | -82.6 | 70.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S437 | S437-G457 PolarHBondContact O-N 3.44Š| ||
| 458 | N | 92.3 | Very high | 94 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | trans | -100.7 | 145.4 | -177.4 | -171 | -71.9 | 0 | 0 | 0 | 113 | Y107 Q456 C460 Y461 | Y107-N458 WeakPolarHBondContact CE1-OD1 3.42Å; Q456-N458 VanDerWaalsContact C-N 3.32Å; Q456-N458 HydrophobicContact CG-CB 4.04Å; Q456-N458 PolarHBondContact O-N 2.81Å; Q456-N458 VanDerWaalsContact O-N 3.1Å; N458-C460 PolarHBondContact O-N 3.27Å; N458-C460 PolarHBondContact OD1-N 3.46Å; N458-C460 PolarHBondContact OD1-SG 3.09Å; N458-Y461 WeakPolarHBondContact O-CD2 3.29Å; N458-Y461 PolarHBondContact O-N 3.44Å | ||
| 459 | N | 95 | Very high | 94.3 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 6% | 0.059 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -55.8 | -19.8 | 179.1 | -65.9 | 7.3 | 0 | 0 | 0 | 114.8 | D273 S278 Y461 V462 F463 | D273-N459 VanDerWaalsContact CG-ND2 3.34Å; D273-N459 PolarHBondContact O-ND2 3.32Å; D273-N459 VanDerWaalsContact O-ND2 3.16Å; D273-N459 WeakPolarHBondContact OD2-CB 3.3Å; D273-N459 PolarHBondContact OD2-ND2 3.41Å; S278-N459 WeakPolarHBondContact CA-OD1 3.3Å; S278-N459 PolarHBondContact OG-ND2 2.64Å; S278-N459 PolarHBondContact OG-OD1 2.9Å; N459-Y461 PolarHBondContact O-N 2.95Å; N459-Y461 VanDerWaalsContact O-N 3.07Å; N459-V462 PolarHBondContact O-N 3.11Å; N459-F463 VanDerWaalsContact C-CD1 3.47Å; N459-F463 HydrophobicContact CB-CD1 4.05Å; N459-F463 WeakPolarHBondContact O-CD1 3.43Å; N459-F463 PolarHBondContact O-N 3.02Å |
| 460 | C | 96 | Very high | 94.7 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 3% | 0.027 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -60.8 | -15.8 | 177.2 | 66.2 | 0 | 0 | 0 | 0 | 114.8 | Y107 L181 L185 N458 V462 F463 P464 | Y107-C460 HydrophobicContact CD1-CB 4.25Å; Y107-C460 HydrophobicContact CE1-CB 3.91Å; L181-C460 HydrophobicContact CD1-CB 4.39Å; L185-C460 HydrophobicContact CD1-CB 4.28Å; N458-C460 PolarHBondContact O-N 3.27Å; N458-C460 PolarHBondContact OD1-N 3.46Å; N458-C460 PolarHBondContact OD1-SG 3.09Å; C460-V462 PolarHBondContact O-N 3.5Å; C460-F463 HydrophobicContact CB-CE1 3.82Å; C460-F463 HydrophobicContact CB-CZ 4.23Å; C460-P464 VanDerWaalsContact O-CD 3.31Å; C460-P464 WeakPolarHBondContact O-CD 3.35Å; C460-P464 WeakPolarHBondContact O-CG 3.4Å |
| 461 | Y | 97.8 | Very high | 95 | Very high | 11 Ų | 11 | 15.4 Ų | 15.4 | 4% | 0.043 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -68.4 | -19.7 | 170.8 | -81.5 | -79 | 0 | 0 | 0 | 113.8 | N458 N459 L490 Y505 P506 L511 I514 | N458-Y461 WeakPolarHBondContact O-CD2 3.29Å; N458-Y461 PolarHBondContact O-N 3.44Å; N459-Y461 PolarHBondContact O-N 2.95Å; N459-Y461 VanDerWaalsContact O-N 3.07Å; Y461-L490 HydrophobicContact CD1-CD1 3.82Å; Y461-L490 HydrophobicContact CG-CD1 4.38Å; Y461-L490 HydrophobicContact CG-CD2 4.43Å; Y461-Y505 HydrophobicContact CD2-CD1 4.49Å; Y461-Y505 HydrophobicContact CE2-CG 4.33Å; Y461-P506 VanDerWaalsContact CE1-O 3.27Å; Y461-P506 WeakPolarHBondContact CE1-O 3.46Å; Y461-P506 PolarHBondContact OH-O 2.96Å; Y461-L511 HydrophobicContact CD1-CD2 3.35Å; Y461-L511 HydrophobicContact CD2-CD2 4.5Å; Y461-L511 HydrophobicContact CE1-CD2 3.55Å; Y461-L511 HydrophobicContact CE1-CG 4.37Å; Y461-L511 HydrophobicContact CG-CD2 3.87Å; Y461-I514 HydrophobicContact CD1-CD1 4.46Å; Y461-I514 HydrophobicContact CE1-CD1 4.21Å |
| 462 | V | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | -45 | -166.6 | 173.5 | 0 | 0 | 0 | 0 | 113.2 | V280 V281 N459 C460 P464 S465 L466 L490 | V280-V462 HydrophobicContact CB-CB 4.37Å; V280-V462 HydrophobicContact CB-CG1 3.79Å; V280-V462 HydrophobicContact CB-CG2 3.95Å; V280-V462 HydrophobicContact CG1-CB 4.23Å; V280-V462 HydrophobicContact CG1-CG1 3.72Å; V280-V462 HydrophobicContact CG1-CG2 3.47Å; V280-V462 VanDerWaalsContact CG1-CG2 3.47Å; V280-V462 HydrophobicContact CG2-CG1 4.04Å; V281-V462 HydrophobicContact CG2-CB 4.06Å; V281-V462 HydrophobicContact CG2-CG2 3.52Å; N459-V462 PolarHBondContact O-N 3.11Å; C460-V462 PolarHBondContact O-N 3.5Å; V462-P464 VanDerWaalsContact C-N 3.29Å; V462-S465 WeakPolarHBondContact O-CA 3.39Å; V462-S465 WeakPolarHBondContact O-CB 3.27Å; V462-S465 PolarHBondContact O-N 3.05Å; V462-L466 HydrophobicContact CG1-CD1 3.64Å; V462-L466 HydrophobicContact CG1-CD2 4.37Å; V462-L466 HydrophobicContact CG1-CG 3.67Å; V462-L466 PolarHBondContact O-N 2.97Å; V462-L490 HydrophobicContact CG2-CD2 3.79Å |
| 463 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.9 | -35.3 | -174.4 | 75.8 | -113.4 | 0 | 0 | 0 | 113.7 | Y107 K178 L181 Y182 F271 D273 N459 C460 S465 L466 V467 | Y107-F463 HydrophobicContact CE1-CE1 4.04Å; Y107-F463 AromaticContact CZ-CE1 3.93Å; K178-F463 HydrophobicContact CB-CE2 4.41Å; K178-F463 HydrophobicContact CG-CE1 4.5Å; K178-F463 HydrophobicContact CG-CZ 4.21Å; L181-F463 HydrophobicContact CB-CE2 3.81Å; L181-F463 HydrophobicContact CB-CZ 3.71Å; L181-F463 HydrophobicContact CD1-CE1 4.42Å; L181-F463 HydrophobicContact CD1-CZ 3.63Å; L181-F463 HydrophobicContact CG-CZ 4.31Å; Y182-F463 AromaticContact CD1-CD2 3.89Å; Y182-F463 HydrophobicContact CD1-CD2 3.89Å; Y182-F463 AromaticContact CD1-CE2 3.83Å; Y182-F463 HydrophobicContact CD1-CE2 3.83Å; Y182-F463 AromaticContact CE1-CD2 3.45Å; Y182-F463 HydrophobicContact CE1-CD2 3.45Å; Y182-F463 VanDerWaalsContact CE1-CD2 3.45Å; Y182-F463 AromaticContact CE1-CE2 3.63Å; Y182-F463 HydrophobicContact CE1-CE2 3.63Å; F271-F463 HydrophobicContact CE2-CB 4.43Å; F271-F463 HydrophobicContact CZ-CB 4.45Å; D273-F463 WeakPolarHBondContact OD1-CB 3.35Å; N459-F463 VanDerWaalsContact C-CD1 3.47Å; N459-F463 HydrophobicContact CB-CD1 4.05Å; N459-F463 WeakPolarHBondContact O-CD1 3.43Å; N459-F463 PolarHBondContact O-N 3.02Å; C460-F463 HydrophobicContact CB-CE1 3.82Å; C460-F463 HydrophobicContact CB-CZ 4.23Å; F463-S465 VanDerWaalsContact C-N 3.28Å; F463-S465 PolarHBondContact O-N 3.38Å; F463-L466 PolarHBondContact O-N 3.41Å; F463-V467 WeakPolarHBondContact O-CB 3.47Å; F463-V467 WeakPolarHBondContact O-CG2 3.49Å; F463-V467 PolarHBondContact O-N 3.48Å |
| 464 | P | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64 | -36.6 | 175.6 | -22.2 | 35.4 | 0 | 0 | 0 | 111.6 | L185 C460 V462 N468 T515 | L185-P464 HydrophobicContact CB-CB 4Å; L185-P464 HydrophobicContact CB-CG 3.97Å; L185-P464 HydrophobicContact CD1-CG 3.97Å; C460-P464 VanDerWaalsContact O-CD 3.31Å; C460-P464 WeakPolarHBondContact O-CD 3.35Å; C460-P464 WeakPolarHBondContact O-CG 3.4Å; V462-P464 VanDerWaalsContact C-N 3.29Å; P464-N468 WeakPolarHBondContact O-CB 3.29Å; P464-N468 PolarHBondContact O-N 3.12Å; P464-T515 HydrophobicContact CB-CG2 3.74Å |
| 465 | S | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -69.5 | -44.4 | 176.9 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | V462 F463 N468 A469 T515 V518 S519 | V462-S465 WeakPolarHBondContact O-CA 3.39Å; V462-S465 WeakPolarHBondContact O-CB 3.27Å; V462-S465 PolarHBondContact O-N 3.05Å; F463-S465 VanDerWaalsContact C-N 3.28Å; F463-S465 PolarHBondContact O-N 3.38Å; S465-N468 PolarHBondContact O-N 2.91Å; S465-A469 WeakPolarHBondContact O-CB 3.4Å; S465-A469 PolarHBondContact O-N 3.29Å; S465-T515 WeakPolarHBondContact OG-CA 3.46Å; S465-T515 PolarHBondContact OG-O 3.48Å; S465-V518 WeakPolarHBondContact OG-CB 3.23Å; S465-S519 VanDerWaalsContact CA-OG 3.28Å; S465-S519 WeakPolarHBondContact CA-OG 3.45Å; S465-S519 PolarHBondContact O-OG 2.86Å |
| 466 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -58.3 | -53.9 | 175.5 | -68.9 | 177.1 | 0 | 0 | 0 | 109.8 | F271 V462 F463 N468 A469 L470 L478 L483 I522 | F271-L466 HydrophobicContact CD2-CD1 4.05Å; F271-L466 HydrophobicContact CE1-CB 4.32Å; F271-L466 HydrophobicContact CE2-CD1 3.97Å; F271-L466 HydrophobicContact CZ-CB 4.16Å; F271-L466 HydrophobicContact CZ-CD1 4.45Å; V462-L466 HydrophobicContact CG1-CD1 3.64Å; V462-L466 HydrophobicContact CG1-CD2 4.37Å; V462-L466 HydrophobicContact CG1-CG 3.67Å; V462-L466 PolarHBondContact O-N 2.97Å; F463-L466 PolarHBondContact O-N 3.41Å; L466-N468 VanDerWaalsContact C-N 3.31Å; L466-N468 PolarHBondContact O-N 2.66Å; L466-A469 PolarHBondContact O-N 3.43Å; L466-L470 HydrophobicContact CB-CD1 4.41Å; L466-L470 WeakPolarHBondContact O-CB 3.5Å; L466-L470 WeakPolarHBondContact O-CG 3.15Å; L466-L470 PolarHBondContact O-N 3.19Å; L466-L478 HydrophobicContact CD2-CD1 4.16Å; L466-L478 HydrophobicContact CD2-CD2 4.2Å; L466-L483 HydrophobicContact CD2-CD2 4.32Å; L466-I522 HydrophobicContact CD2-CD1 3.88Å |
| 467 | V | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -57.4 | -45.4 | 179.6 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | T152 Y182 L188 F271 F463 S471 | T152-V467 HydrophobicContact CG2-CG1 3.77Å; T152-V467 WeakPolarHBondContact OG1-CG1 3.15Å; Y182-V467 HydrophobicContact CD1-CB 4.31Å; Y182-V467 HydrophobicContact CD1-CG1 4.28Å; Y182-V467 HydrophobicContact CD1-CG2 4.2Å; Y182-V467 HydrophobicContact CD2-CG1 4.24Å; Y182-V467 HydrophobicContact CE1-CB 4.32Å; Y182-V467 HydrophobicContact CE1-CG1 4.47Å; Y182-V467 HydrophobicContact CE1-CG2 3.71Å; Y182-V467 HydrophobicContact CE2-CG1 4.41Å; Y182-V467 HydrophobicContact CE2-CG2 4.45Å; Y182-V467 HydrophobicContact CG-CG1 4.19Å; L188-V467 HydrophobicContact CD2-CG1 3.58Å; F271-V467 HydrophobicContact CE1-CG2 3.67Å; F271-V467 HydrophobicContact CZ-CG2 3.71Å; F463-V467 WeakPolarHBondContact O-CB 3.47Å; F463-V467 WeakPolarHBondContact O-CG2 3.49Å; F463-V467 PolarHBondContact O-N 3.48Å; V467-S471 VanDerWaalsContact O-CB 3.24Å; V467-S471 WeakPolarHBondContact O-CB 3.25Å; V467-S471 PolarHBondContact O-N 3.07Å; V467-S471 PolarHBondContact O-OG 2.87Å |
| 468 | N | 97.2 | Very high | 97 | Very high | 5 Ų | 5 | 8.7 Ų | 8.7 | 3% | 0.027 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.8 | -52.3 | 179.8 | -177.4 | -95.1 | 0 | 0 | 0 | 112 | G186 L188 P464 S465 L466 S471 L472 S519 | G186-N468 PolarHBondContact O-ND2 3.41Å; G186-N468 VanDerWaalsContact O-ND2 3.14Å; L188-N468 HydrophobicContact CD1-CB 3.82Å; P464-N468 WeakPolarHBondContact O-CB 3.29Å; P464-N468 PolarHBondContact O-N 3.12Å; S465-N468 PolarHBondContact O-N 2.91Å; L466-N468 VanDerWaalsContact C-N 3.31Å; L466-N468 PolarHBondContact O-N 2.66Å; N468-S471 PolarHBondContact O-OG 3.34Å; N468-L472 VanDerWaalsContact O-CB 3.26Å; N468-L472 WeakPolarHBondContact O-CB 3.42Å; N468-L472 VanDerWaalsContact O-CG 3.24Å; N468-L472 WeakPolarHBondContact O-CG 3.36Å; N468-L472 PolarHBondContact O-N 3.29Å; N468-S519 WeakPolarHBondContact CB-OG 3.41Å; N468-S519 WeakPolarHBondContact OD1-CB 3.49Å; N468-S519 PolarHBondContact OD1-OG 2.73Å; N468-S519 VanDerWaalsContact OD1-OG 3.05Å |
| 469 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S465 L466 S471 A473 I475 I522 | S465-A469 WeakPolarHBondContact O-CB 3.4Å; S465-A469 PolarHBondContact O-N 3.29Å; L466-A469 PolarHBondContact O-N 3.43Å; A469-S471 PolarHBondContact O-N 3.05Å; A469-A473 WeakPolarHBondContact O-CB 3.37Å; A469-A473 PolarHBondContact O-N 3.03Å; A469-I475 HydrophobicContact CB-CD1 4.14Å; A469-I475 WeakPolarHBondContact O-CD1 3.24Å; A469-I522 HydrophobicContact CB-CB 3.89Å; A469-I522 HydrophobicContact CB-CD1 4.4Å; A469-I522 HydrophobicContact CB-CG2 3.72Å |
| 470 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | -178 | -69.2 | 176.7 | 0 | 0 | 0 | 111.6 | I269 F271 L466 A474 I475 L478 | I269-L470 HydrophobicContact CG2-CB 3.78Å; I269-L470 HydrophobicContact CG2-CD1 4.44Å; I269-L470 HydrophobicContact CG2-CG 4.48Å; F271-L470 HydrophobicContact CD1-CD1 3.6Å; F271-L470 HydrophobicContact CE1-CD1 4.07Å; F271-L470 HydrophobicContact CG-CD1 4.42Å; L466-L470 HydrophobicContact CB-CD1 4.41Å; L466-L470 WeakPolarHBondContact O-CB 3.5Å; L466-L470 WeakPolarHBondContact O-CG 3.15Å; L466-L470 PolarHBondContact O-N 3.19Å; L470-A474 CarbonylContact O-C 3.28Å; L470-A474 WeakPolarHBondContact O-CA 3.21Å; L470-A474 PolarHBondContact O-N 3.47Å; L470-A474 VanDerWaalsContact O-N 3.07Å; L470-I475 HydrophobicContact CD2-CB 3.6Å; L470-I475 HydrophobicContact CD2-CD1 4.37Å; L470-I475 HydrophobicContact CD2-CG2 3.76Å; L470-I475 PolarHBondContact O-N 3.19Å; L470-L478 HydrophobicContact CD1-CD2 4.34Å; L470-L478 HydrophobicContact CD2-CB 4.21Å; L470-L478 HydrophobicContact CD2-CD1 4.12Å |
| 471 | S | 95.7 | Very high | 97.3 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 9% | 0.091 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -75.8 | -39.1 | -177.8 | 62.8 | 0 | 0 | 0 | 0 | 113 | V467 N468 A469 | V467-S471 VanDerWaalsContact O-CB 3.24Å; V467-S471 WeakPolarHBondContact O-CB 3.25Å; V467-S471 PolarHBondContact O-N 3.07Å; V467-S471 PolarHBondContact O-OG 2.87Å; N468-S471 PolarHBondContact O-OG 3.34Å; A469-S471 PolarHBondContact O-N 3.05Å |
| 472 | L | 95.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 16.7 Ų | 16.7 | 13% | 0.126 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -74.1 | -40.4 | -178.7 | -69.9 | -179 | 0 | 0 | 0 | 112.8 | N468 M523 F534 F544 I545 Y548 | N468-L472 VanDerWaalsContact O-CB 3.26Å; N468-L472 WeakPolarHBondContact O-CB 3.42Å; N468-L472 VanDerWaalsContact O-CG 3.24Å; N468-L472 WeakPolarHBondContact O-CG 3.36Å; N468-L472 PolarHBondContact O-N 3.29Å; L472-M523 HydrophobicContact CB-CE 3.97Å; L472-F534 WeakPolarHBondContact O-CB 2.97Å; L472-F534 WeakPolarHBondContact O-CD2 3.41Å; L472-F534 WeakPolarHBondContact O-CG 3.48Å; L472-F544 HydrophobicContact CB-CE1 3.97Å; L472-I545 HydrophobicContact CD1-CG1 4.17Å; L472-Y548 HydrophobicContact CD2-CD1 4.06Å; L472-Y548 HydrophobicContact CD2-CD2 3.89Å; L472-Y548 HydrophobicContact CD2-CE2 4.45Å; L472-Y548 HydrophobicContact CD2-CG 3.68Å |
| 473 | A | 97 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 4.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A469 I475 M523 Y527 A532 F533 F534 | A469-A473 WeakPolarHBondContact O-CB 3.37Å; A469-A473 PolarHBondContact O-N 3.03Å; A473-I475 VanDerWaalsContact C-N 3.33Å; A473-I475 HydrophobicContact CB-CD1 4.1Å; A473-I475 HydrophobicContact CB-CG1 3.77Å; A473-I475 PolarHBondContact O-N 3.44Å; A473-M523 HydrophobicContact CB-CE 3.9Å; A473-M523 HydrophobicContact CB-CG 3.78Å; A473-M523 HydrophobicContact CB-SD 4.19Å; A473-Y527 HydrophobicContact CB-CE2 4.18Å; A473-A532 HydrophobicContact CB-CB 4.16Å; A473-A532 CarbonylContact O-C 3.55Å; A473-A532 WeakPolarHBondContact O-CA 3.43Å; A473-F533 PolarHBondContact O-N 2.72Å; A473-F534 PolarHBondContact O-N 2.91Å; A473-F534 VanDerWaalsContact O-N 3.07Å |
| 474 | A | 96.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 17 Ų | 17 | 3% | 0.025 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 52.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | N244 I269 L470 F533 | N244-A474 HydrophobicContact CB-CB 4.29Å; I269-A474 HydrophobicContact CD1-CB 4.12Å; L470-A474 CarbonylContact O-C 3.28Å; L470-A474 WeakPolarHBondContact O-CA 3.21Å; L470-A474 PolarHBondContact O-N 3.47Å; L470-A474 VanDerWaalsContact O-N 3.07Å; A474-F533 HydrophobicContact CB-CB 4.23Å; A474-F533 VanDerWaalsContact O-CD2 3.23Å; A474-F533 WeakPolarHBondContact O-CD2 3.43Å; A474-F533 PolarHBondContact O-N 2.93Å |
| 475 | I | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -79.8 | 122.7 | -171.8 | -59.2 | 169.9 | 0 | 0 | 0 | 110.2 | A469 L470 A473 L482 I522 A526 I531 A532 | A469-I475 HydrophobicContact CB-CD1 4.14Å; A469-I475 WeakPolarHBondContact O-CD1 3.24Å; L470-I475 HydrophobicContact CD2-CB 3.6Å; L470-I475 HydrophobicContact CD2-CD1 4.37Å; L470-I475 HydrophobicContact CD2-CG2 3.76Å; L470-I475 PolarHBondContact O-N 3.19Å; A473-I475 VanDerWaalsContact C-N 3.33Å; A473-I475 HydrophobicContact CB-CD1 4.1Å; A473-I475 HydrophobicContact CB-CG1 3.77Å; A473-I475 PolarHBondContact O-N 3.44Å; I475-L482 HydrophobicContact CG2-CD1 3.65Å; I475-I522 HydrophobicContact CD1-CG2 3.9Å; I475-A526 HydrophobicContact CD1-CB 3.58Å; I475-A526 HydrophobicContact CG1-CB 3.77Å; I475-A526 HydrophobicContact CG2-CB 4Å; I475-I531 WeakPolarHBondContact CA-O 3.22Å; I475-A532 HydrophobicContact CG1-CB 4.24Å |
| 476 | R | 95.7 | Very high | 97.5 | Very high | 73 Ų | 73 | 18.4 Ų | 18.4 | 28% | 0.275 | 9% | 0.094 | S | C | . | . | trans | -148.3 | 131.6 | 174.3 | -174 | 174.2 | 68.4 | -153.8 | -4.3 | 111.8 | N267 H268 I269 I531 F533 | N267-R476 VanDerWaalsContact C-CD 3.41Å; N267-R476 PolarHBondContact O-NH1 2.95Å; H268-R476 VanDerWaalsContact C-CD 3.4Å; H268-R476 WeakPolarHBondContact O-CD 3.41Å; I269-R476 HydrophobicContact CG1-CB 4.1Å; R476-I531 PolarHBondContact N-O 2.88Å; R476-F533 HydrophobicContact CB-CD2 4.47Å; R476-F533 HydrophobicContact CB-CE2 4.08Å; R476-F533 VanDerWaalsContact O-CE2 3.23Å; R476-F533 WeakPolarHBondContact O-CE2 3.26Å | ||
| 477 | P | 96.2 | Very high | 97.5 | Very high | 32 Ų | 32 | 18.4 Ų | 18.4 | 21% | 0.208 | 9% | 0.094 | C | C | . | . | S | Bend | cis | -80.6 | 161.5 | -9.7 | 33.8 | -35.1 | 0 | 0 | 0 | 112.2 | R265 T479 | R265-P477 HydrophobicContact CG-CB 3.77Å; P477-T479 HydrophobicContact CG-CG2 4.22Å; P477-T479 PolarHBondContact O-N 3.09Å |
| 478 | L | 97.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | trans | -69.9 | 109.2 | 163.7 | -179 | 61.2 | 0 | 0 | 0 | 109.3 | F271 L466 L470 L482 L483 | F271-L478 HydrophobicContact CB-CD2 3.54Å; F271-L478 HydrophobicContact CG-CD2 4.25Å; L466-L478 HydrophobicContact CD2-CD1 4.16Å; L466-L478 HydrophobicContact CD2-CD2 4.2Å; L470-L478 HydrophobicContact CD1-CD2 4.34Å; L470-L478 HydrophobicContact CD2-CB 4.21Å; L470-L478 HydrophobicContact CD2-CD1 4.12Å; L478-L482 HydrophobicContact CD1-CB 3.82Å; L478-L482 HydrophobicContact CD1-CD1 4.12Å; L478-L483 HydrophobicContact CD1-CD2 4.15Å; L478-L483 HydrophobicContact CD1-CG 4.49Å; L478-L483 HydrophobicContact CD2-CD2 3.69Å; L478-L483 HydrophobicContact CD2-CG 4.48Å; L478-L483 HydrophobicContact CG-CD2 3.98Å; L478-L483 HydrophobicContact CG-CG 4.29Å | ||
| 479 | T | 96.9 | Very high | 97.6 | Very high | 38 Ų | 38 | 23.5 Ų | 23.5 | 23% | 0.233 | 12% | 0.116 | C | C | . | . | trans | -90.8 | 157.9 | -178.5 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | P477 K481 L482 L483 I531 | P477-T479 HydrophobicContact CG-CG2 4.22Å; P477-T479 PolarHBondContact O-N 3.09Å; T479-K481 PolarHBondContact O-N 2.89Å; T479-L482 PolarHBondContact O-N 3.02Å; T479-L482 VanDerWaalsContact O-N 3.08Å; T479-L482 PolarHBondContact OG1-N 3.03Å; T479-L483 PolarHBondContact O-N 3.45Å; T479-L483 VanDerWaalsContact O-N 3.13Å; T479-I531 HydrophobicContact CG2-CD1 3.91Å | ||
| 480 | N | 96.5 | Very high | 97.6 | Very high | 72 Ų | 72 | 23.5 Ų | 23.5 | 39% | 0.385 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -58.6 | -33.3 | 173.6 | -66.5 | -8.1 | 0 | 0 | 0 | 111.3 | L317 Q320 L482 L483 L484 | L317-N480 HydrophobicContact CD1-CB 4.49Å; Q320-N480 PolarHBondContact OE1-O 3.07Å; N480-L482 VanDerWaalsContact C-N 3.33Å; N480-L482 PolarHBondContact O-N 2.84Å; N480-L483 CarbonylContact O-C 3.54Å; N480-L483 WeakPolarHBondContact O-CA 3.24Å; N480-L483 WeakPolarHBondContact O-CB 3.47Å; N480-L483 PolarHBondContact O-N 3.42Å; N480-L483 VanDerWaalsContact O-N 3.09Å; N480-L484 PolarHBondContact O-N 2.89Å |
| 481 | K | 97.8 | Very high | 97.6 | Very high | 86 Ų | 86 | 23.6 Ų | 23.6 | 37% | 0.374 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -58 | -43.8 | 175.3 | -173.5 | 177.3 | 175.4 | -165.2 | 0 | 112 | Q320 T479 L484 T485 Q525 D529 | Q320-K481 VanDerWaalsContact NE2-CA 3.28Å; Q320-K481 VanDerWaalsContact NE2-N 3.12Å; T479-K481 PolarHBondContact O-N 2.89Å; K481-L484 PolarHBondContact O-N 3.38Å; K481-T485 PolarHBondContact O-N 3.23Å; K481-T485 PolarHBondContact O-OG1 2.66Å; K481-Q525 VanDerWaalsContact NZ-NE2 3.1Å; K481-D529 WeakPolarHBondContact CD-OD2 3.5Å; K481-D529 IonicContact NZ-OD1 3.42Å; K481-D529 PolarHBondContact NZ-OD1 3.08Å; K481-D529 IonicContact NZ-OD2 3.87Å; K481-D529 PolarHBondContact NZ-OD2 3.49Å |
| 482 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 174.3 | -67.4 | -178.7 | 0 | 0 | 0 | 112.7 | I475 L478 T479 N480 L484 T485 A486 I522 Q525 A526 I531 | I475-L482 HydrophobicContact CG2-CD1 3.65Å; L478-L482 HydrophobicContact CD1-CB 3.82Å; L478-L482 HydrophobicContact CD1-CD1 4.12Å; T479-L482 PolarHBondContact O-N 3.02Å; T479-L482 VanDerWaalsContact O-N 3.08Å; T479-L482 PolarHBondContact OG1-N 3.03Å; N480-L482 VanDerWaalsContact C-N 3.33Å; N480-L482 PolarHBondContact O-N 2.84Å; L482-L484 VanDerWaalsContact C-N 3.31Å; L482-L484 PolarHBondContact O-N 3.14Å; L482-T485 WeakPolarHBondContact O-CB 3.36Å; L482-T485 PolarHBondContact O-N 2.96Å; L482-A486 PolarHBondContact O-N 3.46Å; L482-I522 HydrophobicContact CD1-CG2 4.47Å; L482-I522 HydrophobicContact CD2-CG2 4.41Å; L482-Q525 HydrophobicContact CD2-CB 3.71Å; L482-Q525 HydrophobicContact CD2-CG 3.68Å; L482-A526 HydrophobicContact CD1-CB 4.08Å; L482-A526 HydrophobicContact CD2-CB 4.03Å; L482-I531 HydrophobicContact CD1-CD1 3.65Å; L482-I531 HydrophobicContact CG-CD1 4.23Å |
| 483 | L | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 173.7 | -64.5 | 176.8 | 0 | 0 | 0 | 111.4 | Q276 V280 L317 L466 L478 T479 N480 A486 A487 | Q276-L483 HydrophobicContact CB-CD1 3.87Å; Q276-L483 HydrophobicContact CB-CD2 4.01Å; Q276-L483 HydrophobicContact CG-CD1 3.92Å; V280-L483 HydrophobicContact CG2-CB 3.85Å; V280-L483 HydrophobicContact CG2-CD2 3.61Å; V280-L483 HydrophobicContact CG2-CG 4.31Å; L317-L483 HydrophobicContact CD1-CB 3.73Å; L317-L483 HydrophobicContact CD2-CB 4.16Å; L466-L483 HydrophobicContact CD2-CD2 4.32Å; L478-L483 HydrophobicContact CD1-CD2 4.15Å; L478-L483 HydrophobicContact CD1-CG 4.49Å; L478-L483 HydrophobicContact CD2-CD2 3.69Å; L478-L483 HydrophobicContact CD2-CG 4.48Å; L478-L483 HydrophobicContact CG-CD2 3.98Å; L478-L483 HydrophobicContact CG-CG 4.29Å; T479-L483 PolarHBondContact O-N 3.45Å; T479-L483 VanDerWaalsContact O-N 3.13Å; N480-L483 CarbonylContact O-C 3.54Å; N480-L483 WeakPolarHBondContact O-CA 3.24Å; N480-L483 WeakPolarHBondContact O-CB 3.47Å; N480-L483 PolarHBondContact O-N 3.42Å; N480-L483 VanDerWaalsContact O-N 3.09Å; L483-A486 WeakPolarHBondContact O-CB 3.33Å; L483-A486 PolarHBondContact O-N 3.25Å; L483-A487 PolarHBondContact O-N 2.93Å |
| 484 | L | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.1 | -39 | 178.4 | -174.5 | 54.7 | 0 | 0 | 0 | 111.4 | V283 L317 Q320 A321 E324 N480 K481 L482 A486 A487 K488 | V283-L484 HydrophobicContact CG1-CD1 4.14Å; L317-L484 HydrophobicContact CD1-CB 3.91Å; Q320-L484 HydrophobicContact CB-CD2 4.31Å; Q320-L484 HydrophobicContact CG-CD2 3.89Å; A321-L484 HydrophobicContact CB-CD1 3.79Å; A321-L484 HydrophobicContact CB-CD2 4.39Å; E324-L484 WeakPolarHBondContact OE2-CD2 3.44Å; N480-L484 PolarHBondContact O-N 2.89Å; K481-L484 PolarHBondContact O-N 3.38Å; L482-L484 VanDerWaalsContact C-N 3.31Å; L482-L484 PolarHBondContact O-N 3.14Å; L484-A486 VanDerWaalsContact C-N 3.31Å; L484-A486 PolarHBondContact O-N 3.33Å; L484-A487 PolarHBondContact O-N 3.16Å; L484-K488 HydrophobicContact CD1-CG 4.45Å; L484-K488 HydrophobicContact CG-CD 4.44Å; L484-K488 WeakPolarHBondContact O-CB 3.28Å; L484-K488 WeakPolarHBondContact O-CG 3.41Å; L484-K488 PolarHBondContact O-N 3.48Å |
| 485 | T | 98.8 | Very high | 97.9 | Very high | 28 Ų | 28 | 32 Ų | 32 | 17% | 0.172 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 170 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | K481 L482 A487 K488 K489 A521 Q525 | K481-T485 PolarHBondContact O-N 3.23Å; K481-T485 PolarHBondContact O-OG1 2.66Å; L482-T485 WeakPolarHBondContact O-CB 3.36Å; L482-T485 PolarHBondContact O-N 2.96Å; T485-A487 VanDerWaalsContact C-N 3.35Å; T485-A487 PolarHBondContact O-N 2.93Å; T485-K488 PolarHBondContact O-N 3.27Å; T485-K489 WeakPolarHBondContact O-CB 3.25Å; T485-K489 PolarHBondContact O-N 2.75Å; T485-A521 HydrophobicContact CG2-CB 4.11Å; T485-Q525 HydrophobicContact CG2-CB 4.05Å; T485-Q525 HydrophobicContact CG2-CG 4.45Å |
| 486 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V280 L482 L483 L484 K489 L490 V518 I522 | V280-A486 HydrophobicContact CG1-CB 3.7Å; L482-A486 PolarHBondContact O-N 3.46Å; L483-A486 WeakPolarHBondContact O-CB 3.33Å; L483-A486 PolarHBondContact O-N 3.25Å; L484-A486 VanDerWaalsContact C-N 3.31Å; L484-A486 PolarHBondContact O-N 3.33Å; A486-K489 PolarHBondContact O-N 3Å; A486-L490 WeakPolarHBondContact O-CB 3.37Å; A486-L490 PolarHBondContact O-N 3.02Å; A486-V518 HydrophobicContact CB-CG1 3.87Å; A486-I522 HydrophobicContact CB-CD1 3.89Å; A486-I522 HydrophobicContact CB-CG1 3.93Å |
| 487 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V280 V283 S284 I287 L483 L484 T485 S491 | V280-A487 HydrophobicContact CG1-CB 3.85Å; V280-A487 WeakPolarHBondContact O-CB 3.39Å; V283-A487 HydrophobicContact CB-CB 4.25Å; V283-A487 HydrophobicContact CG1-CB 4.08Å; S284-A487 VanDerWaalsContact CB-O 3.23Å; S284-A487 WeakPolarHBondContact CB-O 3.47Å; S284-A487 PolarHBondContact OG-O 2.88Å; I287-A487 HydrophobicContact CD1-CB 4.21Å; L483-A487 PolarHBondContact O-N 2.93Å; L484-A487 PolarHBondContact O-N 3.16Å; T485-A487 VanDerWaalsContact C-N 3.35Å; T485-A487 PolarHBondContact O-N 2.93Å; A487-S491 WeakPolarHBondContact O-CB 3.46Å; A487-S491 PolarHBondContact O-N 3.07Å |
| 488 | K | 98.7 | Very high | 97.5 | Very high | 67 Ų | 67 | 35.8 Ų | 35.8 | 29% | 0.291 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.7 | -51.7 | 175.7 | -74.2 | 179.5 | 169.7 | -160.9 | 0 | 111.5 | I287 E324 L484 T485 L490 S491 E492 | I287-K488 HydrophobicContact CD1-CG 3.81Å; E324-K488 IonicContact OE1-NZ 3.74Å; E324-K488 PolarHBondContact OE1-NZ 3.25Å; E324-K488 WeakPolarHBondContact OE2-CE 3.49Å; E324-K488 IonicContact OE2-NZ 3.94Å; E324-K488 PolarHBondContact OE2-NZ 3.14Å; L484-K488 HydrophobicContact CD1-CG 4.45Å; L484-K488 HydrophobicContact CG-CD 4.44Å; L484-K488 WeakPolarHBondContact O-CB 3.28Å; L484-K488 WeakPolarHBondContact O-CG 3.41Å; L484-K488 PolarHBondContact O-N 3.48Å; T485-K488 PolarHBondContact O-N 3.27Å; K488-L490 VanDerWaalsContact C-N 3.3Å; K488-L490 PolarHBondContact O-N 2.81Å; K488-S491 WeakPolarHBondContact O-CA 3.17Å; K488-S491 WeakPolarHBondContact O-CB 3.45Å; K488-S491 PolarHBondContact O-N 2.94Å; K488-E492 WeakPolarHBondContact O-CG 3.35Å; K488-E492 PolarHBondContact O-N 3.22Å |
| 489 | K | 98.8 | Very high | 97.3 | Very high | 45 Ų | 45 | 37 Ų | 37 | 20% | 0.196 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 179.2 | -176.2 | 63.7 | 178.3 | -174.2 | 0 | 111.9 | T485 A486 S491 E492 L493 E517 V518 A521 | T485-K489 WeakPolarHBondContact O-CB 3.25Å; T485-K489 PolarHBondContact O-N 2.75Å; A486-K489 PolarHBondContact O-N 3Å; K489-S491 VanDerWaalsContact C-N 3.33Å; K489-S491 PolarHBondContact O-N 3.1Å; K489-E492 PolarHBondContact O-N 2.98Å; K489-L493 VanDerWaalsContact O-CG 3.27Å; K489-L493 WeakPolarHBondContact O-CG 3.43Å; K489-L493 PolarHBondContact O-N 3.32Å; K489-E517 WeakPolarHBondContact CE-O 3.5Å; K489-E517 WeakPolarHBondContact CE-OE2 3.33Å; K489-E517 IonicContact NZ-OE2 2.78Å; K489-E517 PolarHBondContact NZ-OE2 2.87Å; K489-V518 HydrophobicContact CB-CG2 4.4Å; K489-V518 HydrophobicContact CG-CG2 4.06Å; K489-A521 HydrophobicContact CB-CB 3.94Å; K489-A521 HydrophobicContact CD-CB 4.1Å; K489-A521 HydrophobicContact CG-CB 3.72Å |
| 490 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 174.4 | 176.7 | 61.4 | 0 | 0 | 0 | 112.1 | S284 Y461 V462 A486 K488 L493 Y505 P506 I514 V518 | S284-L490 WeakPolarHBondContact OG-CB 3.37Å; S284-L490 VanDerWaalsContact OG-CG 3.28Å; S284-L490 WeakPolarHBondContact OG-CG 3.49Å; Y461-L490 HydrophobicContact CD1-CD1 3.82Å; Y461-L490 HydrophobicContact CG-CD1 4.38Å; Y461-L490 HydrophobicContact CG-CD2 4.43Å; V462-L490 HydrophobicContact CG2-CD2 3.79Å; A486-L490 WeakPolarHBondContact O-CB 3.37Å; A486-L490 PolarHBondContact O-N 3.02Å; K488-L490 VanDerWaalsContact C-N 3.3Å; K488-L490 PolarHBondContact O-N 2.81Å; L490-L493 PolarHBondContact O-N 3.11Å; L490-Y505 HydrophobicContact CD2-CD1 4.27Å; L490-Y505 HydrophobicContact CD2-CE1 4.45Å; L490-P506 HydrophobicContact CD1-CG 4.18Å; L490-I514 HydrophobicContact CD1-CG2 3.61Å; L490-V518 HydrophobicContact CB-CG2 4.23Å |
| 491 | S | 98.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.3 | -37.1 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | S284 I287 T288 R291 A487 K488 K489 L493 V494 | S284-S491 PolarHBondContact OG-N 3.04Å; S284-S491 VanDerWaalsContact OG-N 3.1Å; I287-S491 VanDerWaalsContact CG2-OG 3.3Å; I287-S491 WeakPolarHBondContact CG2-OG 3.28Å; T288-S491 WeakPolarHBondContact CA-OG 3.31Å; T288-S491 PolarHBondContact N-OG 2.87Å; T288-S491 WeakPolarHBondContact OG1-CB 3.28Å; T288-S491 PolarHBondContact OG1-OG 3.04Å; R291-S491 PolarHBondContact NH1-O 2.82Å; A487-S491 WeakPolarHBondContact O-CB 3.46Å; A487-S491 PolarHBondContact O-N 3.07Å; K488-S491 WeakPolarHBondContact O-CA 3.17Å; K488-S491 WeakPolarHBondContact O-CB 3.45Å; K488-S491 PolarHBondContact O-N 2.94Å; K489-S491 VanDerWaalsContact C-N 3.33Å; K489-S491 PolarHBondContact O-N 3.1Å; S491-L493 PolarHBondContact O-N 3.44Å; S491-V494 WeakPolarHBondContact O-CB 3.41Å; S491-V494 WeakPolarHBondContact O-CG2 3.22Å; S491-V494 PolarHBondContact O-N 3.16Å |
| 492 | E | 98.3 | Very high | 95.9 | Very high | 131 Ų | 131 | 40.5 Ų | 40.5 | 61% | 0.612 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -61.8 | -31.7 | 174.8 | -72.8 | 167.5 | -165.4 | 0 | 0 | 112.4 | K488 K489 V494 | K488-E492 WeakPolarHBondContact O-CG 3.35Å; K488-E492 PolarHBondContact O-N 3.22Å; K489-E492 PolarHBondContact O-N 2.98Å; E492-V494 PolarHBondContact O-N 3.36Å |
| 493 | L | 98.3 | Very high | 95.6 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.141 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -8.5 | 179.9 | -67.7 | 167.8 | 0 | 0 | 0 | 113.6 | K489 L490 S491 T495 P506 R510 I514 E517 V518 | K489-L493 VanDerWaalsContact O-CG 3.27Å; K489-L493 WeakPolarHBondContact O-CG 3.43Å; K489-L493 PolarHBondContact O-N 3.32Å; L490-L493 PolarHBondContact O-N 3.11Å; S491-L493 PolarHBondContact O-N 3.44Å; L493-T495 PolarHBondContact O-N 3.37Å; L493-P506 HydrophobicContact CB-CG 3.98Å; L493-R510 PolarHBondContact O-NH1 3.27Å; L493-R510 VanDerWaalsContact O-NH1 3.1Å; L493-R510 PolarHBondContact O-NH2 2.91Å; L493-R510 VanDerWaalsContact O-NH2 3.11Å; L493-I514 HydrophobicContact CD1-CB 4.25Å; L493-I514 HydrophobicContact CD1-CG1 4.26Å; L493-I514 HydrophobicContact CD1-CG2 3.94Å; L493-E517 HydrophobicContact CD1-CB 3.77Å; L493-E517 HydrophobicContact CD1-CG 4.48Å; L493-E517 HydrophobicContact CD2-CB 4.25Å; L493-E517 HydrophobicContact CD2-CG 4.18Å; L493-V518 HydrophobicContact CD1-CG2 4.08Å |
| 494 | V | 97.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | trans | -75 | 118.6 | 173.7 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | T288 R291 S491 E492 D498 I499 P506 | T288-V494 HydrophobicContact CG2-CB 4.03Å; T288-V494 HydrophobicContact CG2-CG1 3.82Å; T288-V494 HydrophobicContact CG2-CG2 4.01Å; R291-V494 PolarHBondContact NH1-O 3.05Å; R291-V494 PolarHBondContact NH2-O 3.32Å; S491-V494 WeakPolarHBondContact O-CB 3.41Å; S491-V494 WeakPolarHBondContact O-CG2 3.22Å; S491-V494 PolarHBondContact O-N 3.16Å; E492-V494 PolarHBondContact O-N 3.36Å; V494-D498 HydrophobicContact CG1-CB 3.65Å; V494-I499 HydrophobicContact CG1-CD1 4.43Å; V494-I499 HydrophobicContact CG1-CG1 3.91Å; V494-P506 HydrophobicContact CG2-CG 3.87Å | ||
| 495 | T | 96.6 | Very high | 95.4 | Very high | 57 Ų | 57 | 41.4 Ų | 41.4 | 35% | 0.35 | 21% | 0.206 | S | C | . | . | trans | -80 | 162 | 179.9 | 67.2 | 0 | 0 | 0 | 0 | 111.3 | L493 D497 D498 I499 | L493-T495 PolarHBondContact O-N 3.37Å; T495-D497 PolarHBondContact O-N 2.74Å; T495-D497 PolarHBondContact OG1-N 3.33Å; T495-D498 WeakPolarHBondContact CB-OD2 3.35Å; T495-D498 PolarHBondContact N-OD2 3.04Å; T495-D498 WeakPolarHBondContact O-CB 3.48Å; T495-D498 PolarHBondContact O-N 2.92Å; T495-D498 PolarHBondContact OG1-N 3.29Å; T495-D498 VanDerWaalsContact OG1-N 3.13Å; T495-D498 PolarHBondContact OG1-OD2 2.73Å; T495-I499 PolarHBondContact O-N 2.85Å; T495-I499 VanDerWaalsContact O-N 3.15Å | ||
| 496 | D | 95.3 | Very high | 95.2 | Very high | 97 Ų | 97 | 40 Ų | 40 | 52% | 0.519 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.2 | -24.4 | 172.1 | -63.8 | -25.8 | 0 | 0 | 0 | 112.1 | R291 R500 | R291-D496 IonicContact NH2-OD1 3.4Å; R291-D496 PolarHBondContact NH2-OD1 3.48Å; D496-R500 WeakPolarHBondContact O-CB 3.28Å; D496-R500 VanDerWaalsContact O-CG 3.28Å; D496-R500 WeakPolarHBondContact O-CG 3.2Å; D496-R500 PolarHBondContact O-N 2.94Å |
| 497 | D | 93 | Very high | 95 | Very high | 69 Ų | 69 | 42 Ų | 42 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.6 | -43.2 | 173.9 | -160.9 | 68 | 0 | 0 | 0 | 112.3 | T495 I499 R500 Q501 | T495-D497 PolarHBondContact O-N 2.74Å; T495-D497 PolarHBondContact OG1-N 3.33Å; D497-I499 VanDerWaalsContact C-N 3.27Å; D497-I499 PolarHBondContact O-N 3.1Å; D497-R500 VanDerWaalsContact CA-NH2 3.35Å; D497-R500 PolarHBondContact O-N 3.23Å; D497-R500 IonicContact OD1-CZ 3.17Å; D497-R500 IonicContact OD1-NE 3.25Å; D497-R500 IonicContact OD1-NH2 2.83Å; D497-R500 PolarHBondContact OD1-NH2 2.9Å; D497-Q501 WeakPolarHBondContact O-CG 3.42Å; D497-Q501 PolarHBondContact O-N 3.42Å; D497-Q501 VanDerWaalsContact O-N 3.1Å; D497-Q501 PolarHBondContact OD2-NE2 3.44Å |
| 498 | D | 92.9 | Very high | 94.7 | Very high | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.9 | -47.7 | 172.9 | -62.2 | -59.3 | 0 | 0 | 0 | 109.6 | V494 T495 Q501 G502 S503 S507 R510 | V494-D498 HydrophobicContact CG1-CB 3.65Å; T495-D498 WeakPolarHBondContact CB-OD2 3.35Å; T495-D498 PolarHBondContact N-OD2 3.04Å; T495-D498 WeakPolarHBondContact O-CB 3.48Å; T495-D498 PolarHBondContact O-N 2.92Å; T495-D498 PolarHBondContact OG1-N 3.29Å; T495-D498 VanDerWaalsContact OG1-N 3.13Å; T495-D498 PolarHBondContact OG1-OD2 2.73Å; D498-Q501 PolarHBondContact O-N 3.15Å; D498-G502 PolarHBondContact O-N 3.32Å; D498-S503 CarbonylContact C-O 3.14Å; D498-S503 WeakPolarHBondContact O-CA 3.41Å; D498-S503 VanDerWaalsContact O-CB 3.27Å; D498-S503 WeakPolarHBondContact O-CB 3.31Å; D498-S503 PolarHBondContact O-N 2.64Å; D498-S507 PolarHBondContact OD1-N 2.96Å; D498-R510 IonicContact OD2-NH1 2.75Å |
| 499 | I | 93.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 178.6 | -69.3 | 174.3 | 0 | 0 | 0 | 112.2 | T288 R291 V292 V494 T495 D497 Q501 G502 | T288-I499 HydrophobicContact CG2-CD1 4.18Å; T288-I499 HydrophobicContact CG2-CG1 4.19Å; R291-I499 HydrophobicContact CB-CD1 4.29Å; V292-I499 HydrophobicContact CG2-CG2 3.58Å; V494-I499 HydrophobicContact CG1-CD1 4.43Å; V494-I499 HydrophobicContact CG1-CG1 3.91Å; T495-I499 PolarHBondContact O-N 2.85Å; T495-I499 VanDerWaalsContact O-N 3.15Å; D497-I499 VanDerWaalsContact C-N 3.27Å; D497-I499 PolarHBondContact O-N 3.1Å; I499-Q501 PolarHBondContact O-N 2.83Å; I499-G502 WeakPolarHBondContact O-CA 3.37Å; I499-G502 PolarHBondContact O-N 2.87Å |
| 500 | R | 89 | Confident | 94.3 | Very high | 176 Ų | 176 | 45 Ų | 45 | 66% | 0.664 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -59.7 | -31.8 | 178.3 | -80.7 | -172.6 | -56.7 | -97.5 | 3.5 | 112.5 | D496 D497 G502 | D496-R500 WeakPolarHBondContact O-CB 3.28Å; D496-R500 VanDerWaalsContact O-CG 3.28Å; D496-R500 WeakPolarHBondContact O-CG 3.2Å; D496-R500 PolarHBondContact O-N 2.94Å; D497-R500 VanDerWaalsContact CA-NH2 3.35Å; D497-R500 PolarHBondContact O-N 3.23Å; D497-R500 IonicContact OD1-CZ 3.17Å; D497-R500 IonicContact OD1-NE 3.25Å; D497-R500 IonicContact OD1-NH2 2.83Å; D497-R500 PolarHBondContact OD1-NH2 2.9Å; R500-G502 PolarHBondContact O-N 3.46Å |
| 501 | Q | 85.4 | Confident | 94.2 | Very high | 69 Ų | 69 | 45 Ų | 45 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -2.8 | 175.3 | -62.6 | -175.9 | 30.9 | 0 | 0 | 113.4 | K453 D497 D498 I499 | K453-Q501 PolarHBondContact N-O 3.22Å; D497-Q501 WeakPolarHBondContact O-CG 3.42Å; D497-Q501 PolarHBondContact O-N 3.42Å; D497-Q501 VanDerWaalsContact O-N 3.1Å; D497-Q501 PolarHBondContact OD2-NE2 3.44Å; D498-Q501 PolarHBondContact O-N 3.15Å; I499-Q501 PolarHBondContact O-N 2.83Å |
| 502 | G | 87.2 | Confident | 94.1 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | 10 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D498 I499 R500 | D498-G502 PolarHBondContact O-N 3.32Å; I499-G502 WeakPolarHBondContact O-CA 3.37Å; I499-G502 PolarHBondContact O-N 2.87Å; R500-G502 PolarHBondContact O-N 3.46Å |
| 503 | S | 91.6 | Very high | 94 | Very high | 22 Ų | 22 | 43 Ų | 43 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | trans | -90.3 | 129.9 | -177.2 | -167.5 | 0 | 0 | 0 | 0 | 112.9 | S455 D498 Y505 | S455-S503 WeakPolarHBondContact OG-CA 3.36Å; S455-S503 PolarHBondContact OG-OG 2.94Å; D498-S503 CarbonylContact C-O 3.14Å; D498-S503 WeakPolarHBondContact O-CA 3.41Å; D498-S503 VanDerWaalsContact O-CB 3.27Å; D498-S503 WeakPolarHBondContact O-CB 3.31Å; D498-S503 PolarHBondContact O-N 2.64Å; S503-Y505 PolarHBondContact OG-N 2.71Å; S503-Y505 PolarHBondContact OG-O 3.33Å | ||
| 504 | M | 95.9 | Very high | 94 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -91.1 | 1.2 | 173 | -57.2 | -58.3 | 95.5 | 0 | 0 | 113.2 | T288 A289 V292 I434 V436 S455 | T288-M504 WeakPolarHBondContact CB-O 3.37Å; T288-M504 HydrophobicContact CG2-CB 4.35Å; T288-M504 HydrophobicContact CG2-SD 4.22Å; T288-M504 PolarHBondContact OG1-O 3.4Å; A289-M504 HydrophobicContact CB-SD 4Å; V292-M504 HydrophobicContact CG2-CE 3.94Å; V292-M504 HydrophobicContact CG2-SD 4.29Å; I434-M504 HydrophobicContact CD1-SD 4.35Å; I434-M504 HydrophobicContact CG2-CE 4.3Å; I434-M504 HydrophobicContact CG2-CG 3.63Å; I434-M504 HydrophobicContact CG2-SD 3.6Å; I434-M504 VanDerWaalsContact CG2-SD 3.6Å; V436-M504 HydrophobicContact CG2-CB 4.09Å; V436-M504 HydrophobicContact CG2-CG 3.83Å; S455-M504 PolarHBondContact OG-N 3.4Å |
| 505 | Y | 96.8 | Very high | 94 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -134.8 | 156.3 | 177.7 | -58.6 | -84.4 | 0 | 0 | 0 | 110.7 | V281 V436 Y461 L490 S503 | V281-Y505 HydrophobicContact CG1-CE1 3.6Å; V281-Y505 WeakPolarHBondContact O-CE1 3.42Å; V281-Y505 PolarHBondContact O-OH 2.91Å; V436-Y505 HydrophobicContact CG1-CE2 3.73Å; V436-Y505 HydrophobicContact CG2-CE2 4.37Å; Y461-Y505 HydrophobicContact CD2-CD1 4.49Å; Y461-Y505 HydrophobicContact CE2-CG 4.33Å; L490-Y505 HydrophobicContact CD2-CD1 4.27Å; L490-Y505 HydrophobicContact CD2-CE1 4.45Å; S503-Y505 PolarHBondContact OG-N 2.71Å; S503-Y505 PolarHBondContact OG-O 3.33Å |
| 506 | P | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -73.1 | 156.1 | 178.7 | -3.3 | 20.2 | 0 | 0 | 0 | 110.8 | Y461 L490 L493 V494 I508 I514 | Y461-P506 VanDerWaalsContact CE1-O 3.27Å; Y461-P506 WeakPolarHBondContact CE1-O 3.46Å; Y461-P506 PolarHBondContact OH-O 2.96Å; L490-P506 HydrophobicContact CD1-CG 4.18Å; L493-P506 HydrophobicContact CB-CG 3.98Å; V494-P506 HydrophobicContact CG2-CG 3.87Å; P506-I508 PolarHBondContact O-N 3.44Å; P506-I514 HydrophobicContact CB-CD1 3.61Å; P506-I514 HydrophobicContact CB-CG1 4.38Å; P506-I514 HydrophobicContact CG-CD1 3.77Å; P506-I514 HydrophobicContact CG-CG1 4.34Å | ||
| 507 | S | 93.5 | Very high | 94.3 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | trans | -47.2 | 138.2 | 178 | 170.1 | 0 | 0 | 0 | 0 | 114.3 | D498 A509 R510 | D498-S507 PolarHBondContact OD1-N 2.96Å; S507-A509 PolarHBondContact O-N 3.19Å; S507-A509 PolarHBondContact OG-N 2.96Å; S507-R510 WeakPolarHBondContact O-CB 3.14Å; S507-R510 PolarHBondContact O-N 3.5Å | ||
| 508 | I | 92.6 | Very high | 94.6 | Very high | 41 Ų | 41 | 35.9 Ų | 35.9 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -55.8 | -36.3 | 176.5 | -71.7 | 174.6 | 0 | 0 | 0 | 111.7 | L99 E100 L103 P506 R510 L511 | L99-I508 VanDerWaalsContact CD2-O 3.28Å; L99-I508 WeakPolarHBondContact CD2-O 3.07Å; L99-I508 HydrophobicContact CG-CG2 4.24Å; E100-I508 HydrophobicContact CG-CB 4.24Å; E100-I508 HydrophobicContact CG-CG2 4.04Å; L103-I508 HydrophobicContact CD2-CG2 3.7Å; P506-I508 PolarHBondContact O-N 3.44Å; I508-R510 PolarHBondContact O-N 2.83Å; I508-R510 VanDerWaalsContact O-N 3.08Å; I508-L511 HydrophobicContact CB-CD1 4.41Å; I508-L511 HydrophobicContact CG2-CD1 3.89Å; I508-L511 VanDerWaalsContact O-CB 3.31Å; I508-L511 WeakPolarHBondContact O-CB 3.23Å; I508-L511 VanDerWaalsContact O-CG 3.28Å; I508-L511 WeakPolarHBondContact O-CG 3.2Å; I508-L511 PolarHBondContact O-N 2.97Å |
| 509 | A | 93.2 | Very high | 94.8 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -58.7 | -24.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E100 S507 | E100-A509 HydrophobicContact CG-CB 4.33Å; S507-A509 PolarHBondContact O-N 3.19Å; S507-A509 PolarHBondContact OG-N 2.96Å |
| 510 | R | 95.8 | Very high | 95.1 | Very high | 80 Ų | 80 | 34 Ų | 34 | 30% | 0.302 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -91.5 | -3.7 | 179.2 | -65.4 | 171 | 60.8 | -147 | -5.1 | 113.6 | L493 D498 S507 I508 T513 I514 | L493-R510 PolarHBondContact O-NH1 3.27Å; L493-R510 VanDerWaalsContact O-NH1 3.1Å; L493-R510 PolarHBondContact O-NH2 2.91Å; L493-R510 VanDerWaalsContact O-NH2 3.11Å; D498-R510 IonicContact OD2-NH1 2.75Å; S507-R510 WeakPolarHBondContact O-CB 3.14Å; S507-R510 PolarHBondContact O-N 3.5Å; I508-R510 PolarHBondContact O-N 2.83Å; I508-R510 VanDerWaalsContact O-N 3.08Å; R510-T513 PolarHBondContact O-N 3.21Å; R510-I514 HydrophobicContact CB-CD1 3.85Å; R510-I514 HydrophobicContact CB-CG1 4.15Å; R510-I514 VanDerWaalsContact O-CG1 3.31Å; R510-I514 WeakPolarHBondContact O-CG1 3.13Å; R510-I514 PolarHBondContact O-N 3.04Å |
| 511 | L | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -45.6 | -40.1 | -179.4 | -80.4 | 172.1 | 0 | 0 | 0 | 114.6 | L99 L103 L185 Y461 I508 I514 T515 | L99-L511 HydrophobicContact CD2-CB 4.2Å; L103-L511 HydrophobicContact CD2-CD1 3.83Å; L185-L511 HydrophobicContact CD1-CB 4.48Å; L185-L511 HydrophobicContact CD1-CD1 4.07Å; L185-L511 HydrophobicContact CD2-CB 3.88Å; L185-L511 HydrophobicContact CD2-CD1 4.25Å; Y461-L511 HydrophobicContact CD1-CD2 3.35Å; Y461-L511 HydrophobicContact CD2-CD2 4.5Å; Y461-L511 HydrophobicContact CE1-CD2 3.55Å; Y461-L511 HydrophobicContact CE1-CG 4.37Å; Y461-L511 HydrophobicContact CG-CD2 3.87Å; I508-L511 HydrophobicContact CB-CD1 4.41Å; I508-L511 HydrophobicContact CG2-CD1 3.89Å; I508-L511 VanDerWaalsContact O-CB 3.31Å; I508-L511 WeakPolarHBondContact O-CB 3.23Å; I508-L511 VanDerWaalsContact O-CG 3.28Å; I508-L511 WeakPolarHBondContact O-CG 3.2Å; I508-L511 PolarHBondContact O-N 2.97Å; L511-I514 PolarHBondContact O-N 3.37Å; L511-T515 VanDerWaalsContact O-CB 3.28Å; L511-T515 WeakPolarHBondContact O-CB 3.35Å; L511-T515 PolarHBondContact O-N 3.33Å; L511-T515 PolarHBondContact O-OG1 3.42Å |
| 512 | P | 96.7 | Very high | 96.2 | Very high | 7 Ų | 7 | 23 Ų | 23 | 5% | 0.045 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 176 | -31.3 | 42.4 | 0 | 0 | 0 | 114.9 | L99 T515 K516 | L99-P512 HydrophobicContact CD2-CG 4.21Å; P512-T515 PolarHBondContact O-N 2.96Å; P512-K516 PolarHBondContact O-N 3.38Å |
| 513 | T | 97.3 | Very high | 96.7 | Very high | 84 Ų | 84 | 21.9 Ų | 21.9 | 52% | 0.515 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -70.1 | -43.6 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 109.6 | R510 T515 K516 E517 | R510-T513 PolarHBondContact O-N 3.21Å; T513-T515 PolarHBondContact O-N 3.08Å; T513-K516 PolarHBondContact O-N 3.07Å; T513-E517 HydrophobicContact CG2-CG 4.42Å; T513-E517 WeakPolarHBondContact O-CB 3.33Å; T513-E517 VanDerWaalsContact O-CG 3.29Å; T513-E517 WeakPolarHBondContact O-CG 3.46Å; T513-E517 PolarHBondContact O-N 2.96Å |
| 514 | I | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.2 | -43.4 | 173.7 | -64.2 | 162.9 | 0 | 0 | 0 | 110.2 | Y461 L490 L493 P506 R510 L511 K516 E517 V518 | Y461-I514 HydrophobicContact CD1-CD1 4.46Å; Y461-I514 HydrophobicContact CE1-CD1 4.21Å; L490-I514 HydrophobicContact CD1-CG2 3.61Å; L493-I514 HydrophobicContact CD1-CB 4.25Å; L493-I514 HydrophobicContact CD1-CG1 4.26Å; L493-I514 HydrophobicContact CD1-CG2 3.94Å; P506-I514 HydrophobicContact CB-CD1 3.61Å; P506-I514 HydrophobicContact CB-CG1 4.38Å; P506-I514 HydrophobicContact CG-CD1 3.77Å; P506-I514 HydrophobicContact CG-CG1 4.34Å; R510-I514 HydrophobicContact CB-CD1 3.85Å; R510-I514 HydrophobicContact CB-CG1 4.15Å; R510-I514 VanDerWaalsContact O-CG1 3.31Å; R510-I514 WeakPolarHBondContact O-CG1 3.13Å; R510-I514 PolarHBondContact O-N 3.04Å; L511-I514 PolarHBondContact O-N 3.37Å; I514-K516 PolarHBondContact O-N 2.97Å; I514-E517 PolarHBondContact O-N 3.37Å; I514-V518 HydrophobicContact CG2-CG2 4.13Å; I514-V518 WeakPolarHBondContact O-CB 3.48Å; I514-V518 WeakPolarHBondContact O-CG2 3.44Å; I514-V518 PolarHBondContact O-N 3.06Å |
| 515 | T | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -49 | -177.3 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | L185 P464 S465 L511 P512 T513 S519 | L185-T515 WeakPolarHBondContact O-CB 3.07Å; P464-T515 HydrophobicContact CB-CG2 3.74Å; S465-T515 WeakPolarHBondContact OG-CA 3.46Å; S465-T515 PolarHBondContact OG-O 3.48Å; L511-T515 VanDerWaalsContact O-CB 3.28Å; L511-T515 WeakPolarHBondContact O-CB 3.35Å; L511-T515 PolarHBondContact O-N 3.33Å; L511-T515 PolarHBondContact O-OG1 3.42Å; P512-T515 PolarHBondContact O-N 2.96Å; T513-T515 PolarHBondContact O-N 3.08Å; T515-S519 WeakPolarHBondContact O-CB 3.23Å; T515-S519 PolarHBondContact O-N 3.22Å; T515-S519 PolarHBondContact O-OG 3.21Å |
| 516 | K | 98.2 | Very high | 97.2 | Very high | 42 Ų | 42 | 27.1 Ų | 27.1 | 18% | 0.183 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 176.9 | -67.7 | 178.6 | 176.6 | -174.9 | 0 | 112.6 | P512 T513 I514 S519 C520 M542 I545 E546 Y549 | P512-K516 PolarHBondContact O-N 3.38Å; T513-K516 PolarHBondContact O-N 3.07Å; I514-K516 PolarHBondContact O-N 2.97Å; K516-S519 WeakPolarHBondContact O-CB 3.24Å; K516-S519 PolarHBondContact O-N 3.27Å; K516-C520 WeakPolarHBondContact O-CB 3.19Å; K516-C520 PolarHBondContact O-N 3.48Å; K516-M542 HydrophobicContact CB-CE 4.32Å; K516-M542 HydrophobicContact CB-SD 3.89Å; K516-M542 HydrophobicContact CD-SD 4.42Å; K516-I545 HydrophobicContact CG-CG2 4.3Å; K516-E546 HydrophobicContact CD-CG 4.19Å; K516-E546 IonicContact NZ-OE1 3.33Å; K516-E546 PolarHBondContact NZ-OE1 3.11Å; K516-Y549 HydrophobicContact CD-CE2 4.38Å; K516-Y549 VanDerWaalsContact CE-CD2 3.42Å; K516-Y549 HydrophobicContact CG-CE2 4.23Å |
| 517 | E | 98.7 | Very high | 97.4 | Very high | 59 Ų | 59 | 28 Ų | 28 | 28% | 0.276 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.1 | -45.5 | -179.2 | -74.5 | -74.2 | 163.5 | 0 | 0 | 112.3 | K489 L493 T513 I514 C520 A521 M542 | K489-E517 WeakPolarHBondContact CE-O 3.5Å; K489-E517 WeakPolarHBondContact CE-OE2 3.33Å; K489-E517 IonicContact NZ-OE2 2.78Å; K489-E517 PolarHBondContact NZ-OE2 2.87Å; L493-E517 HydrophobicContact CD1-CB 3.77Å; L493-E517 HydrophobicContact CD1-CG 4.48Å; L493-E517 HydrophobicContact CD2-CB 4.25Å; L493-E517 HydrophobicContact CD2-CG 4.18Å; T513-E517 HydrophobicContact CG2-CG 4.42Å; T513-E517 WeakPolarHBondContact O-CB 3.33Å; T513-E517 VanDerWaalsContact O-CG 3.29Å; T513-E517 WeakPolarHBondContact O-CG 3.46Å; T513-E517 PolarHBondContact O-N 2.96Å; I514-E517 PolarHBondContact O-N 3.37Å; E517-C520 PolarHBondContact O-N 3.32Å; E517-A521 PolarHBondContact O-N 3.41Å; E517-A521 VanDerWaalsContact O-N 3.14Å; E517-M542 HydrophobicContact CG-CE 4.38Å |
| 518 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.1 | -41 | 176.8 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | S465 A486 K489 L490 L493 I514 C520 A521 I522 | S465-V518 WeakPolarHBondContact OG-CB 3.23Å; A486-V518 HydrophobicContact CB-CG1 3.87Å; K489-V518 HydrophobicContact CB-CG2 4.4Å; K489-V518 HydrophobicContact CG-CG2 4.06Å; L490-V518 HydrophobicContact CB-CG2 4.23Å; L493-V518 HydrophobicContact CD1-CG2 4.08Å; I514-V518 HydrophobicContact CG2-CG2 4.13Å; I514-V518 WeakPolarHBondContact O-CB 3.48Å; I514-V518 WeakPolarHBondContact O-CG2 3.44Å; I514-V518 PolarHBondContact O-N 3.06Å; V518-C520 VanDerWaalsContact C-N 3.31Å; V518-C520 PolarHBondContact O-N 3.47Å; V518-A521 PolarHBondContact O-N 3Å; V518-I522 HydrophobicContact CG1-CD1 3.85Å; V518-I522 HydrophobicContact CG1-CG1 4.49Å; V518-I522 WeakPolarHBondContact O-CD1 3.38Å; V518-I522 VanDerWaalsContact O-CG1 3.28Å; V518-I522 WeakPolarHBondContact O-CG1 3.28Å; V518-I522 PolarHBondContact O-N 2.67Å |
| 519 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.1 | -44.7 | 173.4 | -68.7 | 0 | 0 | 0 | 0 | 112.2 | S465 N468 T515 K516 I522 M523 | S465-S519 VanDerWaalsContact CA-OG 3.28Å; S465-S519 WeakPolarHBondContact CA-OG 3.45Å; S465-S519 PolarHBondContact O-OG 2.86Å; N468-S519 WeakPolarHBondContact CB-OG 3.41Å; N468-S519 WeakPolarHBondContact OD1-CB 3.49Å; N468-S519 PolarHBondContact OD1-OG 2.73Å; N468-S519 VanDerWaalsContact OD1-OG 3.05Å; T515-S519 WeakPolarHBondContact O-CB 3.23Å; T515-S519 PolarHBondContact O-N 3.22Å; T515-S519 PolarHBondContact O-OG 3.21Å; K516-S519 WeakPolarHBondContact O-CB 3.24Å; K516-S519 PolarHBondContact O-N 3.27Å; S519-I522 PolarHBondContact O-N 3.2Å; S519-M523 WeakPolarHBondContact O-CB 3.38Å; S519-M523 PolarHBondContact O-N 3.28Å |
| 520 | C | 98.6 | Very high | 98.1 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | -179.9 | -163.8 | 0 | 0 | 0 | 0 | 110.8 | K516 E517 V518 I522 M523 E524 M542 I545 | K516-C520 WeakPolarHBondContact O-CB 3.19Å; K516-C520 PolarHBondContact O-N 3.48Å; E517-C520 PolarHBondContact O-N 3.32Å; V518-C520 VanDerWaalsContact C-N 3.31Å; V518-C520 PolarHBondContact O-N 3.47Å; C520-I522 PolarHBondContact O-N 3.37Å; C520-M523 WeakPolarHBondContact O-CB 3.33Å; C520-M523 PolarHBondContact O-N 3.3Å; C520-M523 VanDerWaalsContact O-N 3.16Å; C520-E524 WeakPolarHBondContact O-CG 3.16Å; C520-E524 PolarHBondContact O-N 3.14Å; C520-E524 PolarHBondContact SG-OE1 2.93Å; C520-M542 HydrophobicContact CB-CE 4.01Å; C520-I545 HydrophobicContact CB-CD1 3.94Å |
| 521 | A | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 11% | 0.107 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T485 K489 E517 V518 Q525 | T485-A521 HydrophobicContact CG2-CB 4.11Å; K489-A521 HydrophobicContact CB-CB 3.94Å; K489-A521 HydrophobicContact CD-CB 4.1Å; K489-A521 HydrophobicContact CG-CB 3.72Å; E517-A521 PolarHBondContact O-N 3.41Å; E517-A521 VanDerWaalsContact O-N 3.14Å; V518-A521 PolarHBondContact O-N 3Å; A521-Q525 WeakPolarHBondContact O-CB 3.33Å; A521-Q525 PolarHBondContact O-N 3.11Å; A521-Q525 VanDerWaalsContact O-N 3.07Å |
| 522 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 174.3 | -65.8 | 158.3 | 0 | 0 | 0 | 110.3 | L466 A469 I475 L482 A486 V518 S519 C520 Q525 A526 | L466-I522 HydrophobicContact CD2-CD1 3.88Å; A469-I522 HydrophobicContact CB-CB 3.89Å; A469-I522 HydrophobicContact CB-CD1 4.4Å; A469-I522 HydrophobicContact CB-CG2 3.72Å; I475-I522 HydrophobicContact CD1-CG2 3.9Å; L482-I522 HydrophobicContact CD1-CG2 4.47Å; L482-I522 HydrophobicContact CD2-CG2 4.41Å; A486-I522 HydrophobicContact CB-CD1 3.89Å; A486-I522 HydrophobicContact CB-CG1 3.93Å; V518-I522 HydrophobicContact CG1-CD1 3.85Å; V518-I522 HydrophobicContact CG1-CG1 4.49Å; V518-I522 WeakPolarHBondContact O-CD1 3.38Å; V518-I522 VanDerWaalsContact O-CG1 3.28Å; V518-I522 WeakPolarHBondContact O-CG1 3.28Å; V518-I522 PolarHBondContact O-N 2.67Å; S519-I522 PolarHBondContact O-N 3.2Å; C520-I522 PolarHBondContact O-N 3.37Å; I522-Q525 PolarHBondContact O-N 3.07Å; I522-A526 VanDerWaalsContact O-CB 3.25Å; I522-A526 WeakPolarHBondContact O-CB 3.47Å; I522-A526 PolarHBondContact O-N 3.46Å |
| 523 | M | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | -179.2 | -174.5 | 176 | -60.1 | 0 | 0 | 111.7 | L472 A473 S519 C520 Q525 A526 Y527 K541 F544 I545 | L472-M523 HydrophobicContact CB-CE 3.97Å; A473-M523 HydrophobicContact CB-CE 3.9Å; A473-M523 HydrophobicContact CB-CG 3.78Å; A473-M523 HydrophobicContact CB-SD 4.19Å; S519-M523 WeakPolarHBondContact O-CB 3.38Å; S519-M523 PolarHBondContact O-N 3.28Å; C520-M523 WeakPolarHBondContact O-CB 3.33Å; C520-M523 PolarHBondContact O-N 3.3Å; C520-M523 VanDerWaalsContact O-N 3.16Å; M523-Q525 PolarHBondContact O-N 3.28Å; M523-A526 PolarHBondContact O-N 2.91Å; M523-Y527 HydrophobicContact CG-CD2 3.84Å; M523-Y527 HydrophobicContact CG-CE2 3.63Å; M523-Y527 VanDerWaalsContact O-CD2 3.24Å; M523-Y527 WeakPolarHBondContact O-CD2 3.39Å; M523-Y527 PolarHBondContact O-N 2.89Å; M523-Y527 HydrophobicContact SD-CE2 4.21Å; M523-K541 HydrophobicContact CG-CG 3.9Å; M523-K541 HydrophobicContact SD-CB 3.95Å; M523-K541 HydrophobicContact SD-CG 3.67Å; M523-F544 HydrophobicContact CE-CD1 4.01Å; M523-F544 HydrophobicContact CE-CE1 4.08Å; M523-F544 HydrophobicContact SD-CD1 3.91Å; M523-F544 HydrophobicContact SD-CE1 4.27Å; M523-I545 HydrophobicContact CE-CD1 4.07Å; M523-I545 HydrophobicContact CE-CG1 3.79Å |
| 524 | E | 98.6 | Very high | 98 | Very high | 104 Ų | 104 | 41.8 Ų | 41.8 | 49% | 0.486 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.1 | -47.9 | 176.3 | -73.6 | 169.2 | -176.1 | 0 | 0 | 111.9 | C520 A526 Y527 K528 K541 | C520-E524 WeakPolarHBondContact O-CG 3.16Å; C520-E524 PolarHBondContact O-N 3.14Å; C520-E524 PolarHBondContact SG-OE1 2.93Å; E524-A526 VanDerWaalsContact C-N 3.32Å; E524-A526 PolarHBondContact O-N 3.33Å; E524-Y527 PolarHBondContact O-N 3.31Å; E524-K528 WeakPolarHBondContact O-CB 3.46Å; E524-K528 PolarHBondContact O-N 3.1Å; E524-K541 HydrophobicContact CG-CD 4.45Å; E524-K541 HydrophobicContact CG-CG 4.3Å |
| 525 | Q | 98.6 | Very high | 97.8 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -35 | 178.9 | -173.4 | 54.8 | 56.4 | 0 | 0 | 111.9 | K481 L482 T485 A521 I522 M523 K528 D529 | K481-Q525 VanDerWaalsContact NZ-NE2 3.1Å; L482-Q525 HydrophobicContact CD2-CB 3.71Å; L482-Q525 HydrophobicContact CD2-CG 3.68Å; T485-Q525 HydrophobicContact CG2-CB 4.05Å; T485-Q525 HydrophobicContact CG2-CG 4.45Å; A521-Q525 WeakPolarHBondContact O-CB 3.33Å; A521-Q525 PolarHBondContact O-N 3.11Å; A521-Q525 VanDerWaalsContact O-N 3.07Å; I522-Q525 PolarHBondContact O-N 3.07Å; M523-Q525 PolarHBondContact O-N 3.28Å; Q525-K528 PolarHBondContact O-N 3.37Å; Q525-D529 PolarHBondContact NE2-OD1 2.58Å; Q525-D529 PolarHBondContact NE2-OD2 2.74Å; Q525-D529 WeakPolarHBondContact O-CB 3.23Å; Q525-D529 PolarHBondContact O-N 3.43Å |
| 526 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.7 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | I475 L482 I522 M523 E524 D529 K530 I531 A532 | I475-A526 HydrophobicContact CD1-CB 3.58Å; I475-A526 HydrophobicContact CG1-CB 3.77Å; I475-A526 HydrophobicContact CG2-CB 4Å; L482-A526 HydrophobicContact CD1-CB 4.08Å; L482-A526 HydrophobicContact CD2-CB 4.03Å; I522-A526 VanDerWaalsContact O-CB 3.25Å; I522-A526 WeakPolarHBondContact O-CB 3.47Å; I522-A526 PolarHBondContact O-N 3.46Å; M523-A526 PolarHBondContact O-N 2.91Å; E524-A526 VanDerWaalsContact C-N 3.32Å; E524-A526 PolarHBondContact O-N 3.33Å; A526-D529 CarbonylContact O-C 3.54Å; A526-D529 PolarHBondContact O-N 2.95Å; A526-K530 PolarHBondContact O-N 2.72Å; A526-K530 VanDerWaalsContact O-N 3.08Å; A526-I531 HydrophobicContact CB-CG1 4.11Å; A526-I531 WeakPolarHBondContact O-CG1 3.32Å; A526-I531 PolarHBondContact O-N 3.36Å; A526-A532 HydrophobicContact CB-CB 4Å; A526-A532 PolarHBondContact O-N 3.49Å |
| 527 | Y | 98.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 55 Ų | 55 | 8% | 0.075 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 171.4 | -82.9 | -68.6 | 0 | 0 | 0 | 111.5 | A473 M523 E524 D529 K530 A532 F534 E537 P538 | A473-Y527 HydrophobicContact CB-CE2 4.18Å; M523-Y527 HydrophobicContact CG-CD2 3.84Å; M523-Y527 HydrophobicContact CG-CE2 3.63Å; M523-Y527 VanDerWaalsContact O-CD2 3.24Å; M523-Y527 WeakPolarHBondContact O-CD2 3.39Å; M523-Y527 PolarHBondContact O-N 2.89Å; M523-Y527 HydrophobicContact SD-CE2 4.21Å; E524-Y527 PolarHBondContact O-N 3.31Å; Y527-D529 VanDerWaalsContact C-N 3.27Å; Y527-D529 PolarHBondContact O-N 3.08Å; Y527-K530 PolarHBondContact O-N 3.11Å; Y527-A532 HydrophobicContact CD1-CB 3.63Å; Y527-A532 HydrophobicContact CD2-CB 3.94Å; Y527-A532 HydrophobicContact CE1-CB 3.66Å; Y527-A532 HydrophobicContact CE2-CB 3.98Å; Y527-A532 HydrophobicContact CG-CB 3.76Å; Y527-F534 WeakPolarHBondContact CE1-O 3.28Å; Y527-F534 PolarHBondContact OH-O 3.02Å; Y527-E537 HydrophobicContact CD1-CB 3.79Å; Y527-E537 VanDerWaalsContact CD1-CD 3.49Å; Y527-E537 HydrophobicContact CD1-CG 3.52Å; Y527-E537 HydrophobicContact CD2-CG 3.91Å; Y527-E537 HydrophobicContact CE1-CB 3.57Å; Y527-E537 HydrophobicContact CE1-CG 3.64Å; Y527-E537 HydrophobicContact CE2-CG 4Å; Y527-E537 HydrophobicContact CG-CB 4.45Å; Y527-E537 VanDerWaalsContact CG-CD 3.45Å; Y527-E537 HydrophobicContact CG-CG 3.68Å; Y527-P538 VanDerWaalsContact OH-CD 3.24Å; Y527-P538 WeakPolarHBondContact OH-CD 3.47Å |
| 528 | K | 98.2 | Very high | 97.4 | Very high | 156 Ų | 156 | 52.9 Ų | 52.9 | 68% | 0.678 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58.1 | -39.5 | 175 | -177 | 176.1 | 178 | -179.1 | 0 | 112.5 | E524 Q525 K530 | E524-K528 WeakPolarHBondContact O-CB 3.46Å; E524-K528 PolarHBondContact O-N 3.1Å; Q525-K528 PolarHBondContact O-N 3.37Å; K528-K530 VanDerWaalsContact C-N 3.26Å; K528-K530 PolarHBondContact O-N 2.6Å |
| 529 | D | 98 | Very high | 97.3 | Very high | 48 Ų | 48 | 61 Ų | 61 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.7 | 177.5 | -67.6 | -21.4 | 0 | 0 | 0 | 113.4 | K481 Q525 A526 Y527 I531 | K481-D529 WeakPolarHBondContact CD-OD2 3.5Å; K481-D529 IonicContact NZ-OD1 3.42Å; K481-D529 PolarHBondContact NZ-OD1 3.08Å; K481-D529 IonicContact NZ-OD2 3.87Å; K481-D529 PolarHBondContact NZ-OD2 3.49Å; Q525-D529 PolarHBondContact NE2-OD1 2.58Å; Q525-D529 PolarHBondContact NE2-OD2 2.74Å; Q525-D529 WeakPolarHBondContact O-CB 3.23Å; Q525-D529 PolarHBondContact O-N 3.43Å; A526-D529 CarbonylContact O-C 3.54Å; A526-D529 PolarHBondContact O-N 2.95Å; Y527-D529 VanDerWaalsContact C-N 3.27Å; Y527-D529 PolarHBondContact O-N 3.08Å; D529-I531 VanDerWaalsContact C-N 3.28Å; D529-I531 HydrophobicContact CB-CD1 4.14Å; D529-I531 HydrophobicContact CB-CG1 3.98Å; D529-I531 PolarHBondContact O-N 2.57Å |
| 530 | K | 97.6 | Very high | 97.2 | Very high | 179 Ų | 179 | 64.2 Ų | 64.2 | 78% | 0.778 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 35.4 | 179.5 | -54.7 | -179.5 | -179.2 | 179.5 | 0 | 114.1 | A526 Y527 K528 | A526-K530 PolarHBondContact O-N 2.72Å; A526-K530 VanDerWaalsContact O-N 3.08Å; Y527-K530 PolarHBondContact O-N 3.11Å; K528-K530 VanDerWaalsContact C-N 3.26Å; K528-K530 PolarHBondContact O-N 2.6Å |
| 531 | I | 96.9 | Very high | 97.2 | Very high | 26 Ų | 26 | 65.1 Ų | 65.1 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | trans | -117.8 | 4.3 | 178.4 | 56.6 | 173.8 | 0 | 0 | 0 | 113 | I475 R476 T479 L482 A526 D529 | I475-I531 WeakPolarHBondContact CA-O 3.22Å; R476-I531 PolarHBondContact N-O 2.88Å; T479-I531 HydrophobicContact CG2-CD1 3.91Å; L482-I531 HydrophobicContact CD1-CD1 3.65Å; L482-I531 HydrophobicContact CG-CD1 4.23Å; A526-I531 HydrophobicContact CB-CG1 4.11Å; A526-I531 WeakPolarHBondContact O-CG1 3.32Å; A526-I531 PolarHBondContact O-N 3.36Å; D529-I531 VanDerWaalsContact C-N 3.28Å; D529-I531 HydrophobicContact CB-CD1 4.14Å; D529-I531 HydrophobicContact CB-CG1 3.98Å; D529-I531 PolarHBondContact O-N 2.57Å | ||
| 532 | A | 97.8 | Very high | 97.1 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 124.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | A473 I475 A526 Y527 | A473-A532 HydrophobicContact CB-CB 4.16Å; A473-A532 CarbonylContact O-C 3.55Å; A473-A532 WeakPolarHBondContact O-CA 3.43Å; I475-A532 HydrophobicContact CG1-CB 4.24Å; A526-A532 HydrophobicContact CB-CB 4Å; A526-A532 PolarHBondContact O-N 3.49Å; Y527-A532 HydrophobicContact CD1-CB 3.63Å; Y527-A532 HydrophobicContact CD2-CB 3.94Å; Y527-A532 HydrophobicContact CE1-CB 3.66Å; Y527-A532 HydrophobicContact CE2-CB 3.98Å; Y527-A532 HydrophobicContact CG-CB 3.76Å |
| 533 | F | 95.7 | Very high | 97.1 | Very high | 107 Ų | 107 | 72.4 Ų | 72.4 | 47% | 0.469 | 36% | 0.361 | S | S | . | . | trans | -109.7 | 1.8 | -172.4 | -59.1 | -65.2 | 0 | 0 | 0 | 114.3 | A473 A474 R476 T535 | A473-F533 PolarHBondContact O-N 2.72Å; A474-F533 HydrophobicContact CB-CB 4.23Å; A474-F533 VanDerWaalsContact O-CD2 3.23Å; A474-F533 WeakPolarHBondContact O-CD2 3.43Å; A474-F533 PolarHBondContact O-N 2.93Å; R476-F533 HydrophobicContact CB-CD2 4.47Å; R476-F533 HydrophobicContact CB-CE2 4.08Å; R476-F533 VanDerWaalsContact O-CE2 3.23Å; R476-F533 WeakPolarHBondContact O-CE2 3.26Å; F533-T535 PolarHBondContact O-N 2.92Å | ||
| 534 | F | 95 | Very high | 97 | Very high | 69 Ų | 69 | 73.5 Ų | 73.5 | 30% | 0.303 | 37% | 0.366 | S | S | . | . | trans | -70.7 | 120.9 | 168.2 | -176.6 | -85.4 | 0 | 0 | 0 | 109.8 | L472 A473 Y527 P538 F544 | L472-F534 WeakPolarHBondContact O-CB 2.97Å; L472-F534 WeakPolarHBondContact O-CD2 3.41Å; L472-F534 WeakPolarHBondContact O-CG 3.48Å; A473-F534 PolarHBondContact O-N 2.91Å; A473-F534 VanDerWaalsContact O-N 3.07Å; Y527-F534 WeakPolarHBondContact CE1-O 3.28Å; Y527-F534 PolarHBondContact OH-O 3.02Å; F534-P538 HydrophobicContact CD1-CG 4.37Å; F534-P538 HydrophobicContact CE1-CG 4.41Å; F534-F544 HydrophobicContact CD1-CE2 4.3Å; F534-F544 AromaticContact CD1-CZ 3.83Å; F534-F544 HydrophobicContact CD1-CZ 3.83Å; F534-F544 HydrophobicContact CD2-CZ 4.35Å; F534-F544 AromaticContact CE1-CE2 3.57Å; F534-F544 HydrophobicContact CE1-CE2 3.57Å; F534-F544 AromaticContact CE1-CZ 3.53Å; F534-F544 HydrophobicContact CE1-CZ 3.53Å; F534-F544 HydrophobicContact CE2-CE2 4.46Å; F534-F544 HydrophobicContact CE2-CZ 4.07Å; F534-F544 HydrophobicContact CG-CZ 4.24Å; F534-F544 AromaticContact CZ-CE2 3.67Å; F534-F544 HydrophobicContact CZ-CE2 3.67Å; F534-F544 AromaticContact CZ-CZ 3.66Å; F534-F544 HydrophobicContact CZ-CZ 3.66Å | ||
| 535 | T | 92.7 | Very high | 96.8 | Very high | 115 Ų | 115 | 68.6 Ų | 68.6 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -125 | 145.2 | -178.4 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | F533 | F533-T535 PolarHBondContact O-N 2.92Š|
| 536 | P | 94.7 | Very high | 96.7 | Very high | 112 Ų | 112 | 71.5 Ų | 71.5 | 73% | 0.727 | 36% | 0.357 | S | S | * | . | S | Bend | cis | -66.2 | 156 | -7.4 | 30.2 | -35.5 | 0 | 0 | 0 | 111.5 | P538 | P536-P538 WeakPolarHBondContact O-CD 3.27Š|
| 537 | E | 97.3 | Very high | 96.5 | Very high | 94 Ų | 94 | 75.5 Ų | 75.5 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 127.3 | 170.5 | 176.2 | 173.7 | 170 | 0 | 0 | 108.9 | Y527 K541 | Y527-E537 HydrophobicContact CD1-CB 3.79Å; Y527-E537 VanDerWaalsContact CD1-CD 3.49Å; Y527-E537 HydrophobicContact CD1-CG 3.52Å; Y527-E537 HydrophobicContact CD2-CG 3.91Å; Y527-E537 HydrophobicContact CE1-CB 3.57Å; Y527-E537 HydrophobicContact CE1-CG 3.64Å; Y527-E537 HydrophobicContact CE2-CG 4Å; Y527-E537 HydrophobicContact CG-CB 4.45Å; Y527-E537 VanDerWaalsContact CG-CD 3.45Å; Y527-E537 HydrophobicContact CG-CG 3.68Å; E537-K541 WeakPolarHBondContact OE1-CE 3.43Å; E537-K541 IonicContact OE1-NZ 3.57Å; E537-K541 PolarHBondContact OE1-NZ 3.2Å |
| 538 | P | 96.5 | Very high | 96.2 | Very high | 16 Ų | 16 | 79.6 Ų | 79.6 | 10% | 0.104 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -63 | 136.9 | 178.3 | -21.1 | 31 | 0 | 0 | 0 | 111.3 | Y527 F534 P536 K541 F544 | Y527-P538 VanDerWaalsContact OH-CD 3.24Å; Y527-P538 WeakPolarHBondContact OH-CD 3.47Å; F534-P538 HydrophobicContact CD1-CG 4.37Å; F534-P538 HydrophobicContact CE1-CG 4.41Å; P536-P538 WeakPolarHBondContact O-CD 3.27Å; P538-K541 WeakPolarHBondContact O-CD 3.41Å; P538-K541 WeakPolarHBondContact O-CE 3.43Å; P538-K541 PolarHBondContact O-NZ 3.26Å; P538-F544 HydrophobicContact CB-CB 3.7Å; P538-F544 HydrophobicContact CB-CD1 4.3Å; P538-F544 HydrophobicContact CB-CD2 4.07Å; P538-F544 HydrophobicContact CB-CG 3.78Å; P538-F544 HydrophobicContact CG-CB 3.99Å; P538-F544 HydrophobicContact CG-CD1 3.63Å; P538-F544 HydrophobicContact CG-CD2 3.7Å; P538-F544 HydrophobicContact CG-CE1 3.92Å; P538-F544 HydrophobicContact CG-CE2 4Å; P538-F544 HydrophobicContact CG-CG 3.5Å; P538-F544 VanDerWaalsContact CG-CG 3.5Å; P538-F544 HydrophobicContact CG-CZ 4.11Å |
| 539 | D | 95.6 | Very high | 96 | Very high | 169 Ų | 169 | 74.4 Ų | 74.4 | 90% | 0.904 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -63.5 | -48.9 | 177.6 | -65.3 | -38.8 | 0 | 0 | 0 | 111.1 | ||
| 540 | N | 97.5 | Very high | 95.9 | Very high | 69 Ų | 69 | 72.8 Ų | 72.8 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -111.6 | 107.8 | 174 | -175.1 | -23.9 | 0 | 0 | 0 | 110.1 | M542 E543 F544 | N540-M542 PolarHBondContact OD1-N 2.87Å; N540-E543 HydrophobicContact CB-CB 4.06Å; N540-E543 HydrophobicContact CB-CG 4.28Å; N540-E543 WeakPolarHBondContact ND2-CG 3.44Å; N540-E543 PolarHBondContact ND2-OE1 3.41Å; N540-E543 PolarHBondContact OD1-N 2.96Å; N540-E543 VanDerWaalsContact OD1-N 3.1Å; N540-F544 WeakPolarHBondContact O-CB 3.48Å; N540-F544 PolarHBondContact O-N 2.95Å |
| 541 | K | 97.2 | Very high | 95.7 | Very high | 28 Ų | 28 | 67.3 Ų | 67.3 | 12% | 0.122 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.6 | -33.9 | -176.2 | -76.7 | 69.3 | 174.2 | 171.2 | 0 | 111.8 | M523 E524 E537 P538 F544 I545 | M523-K541 HydrophobicContact CG-CG 3.9Å; M523-K541 HydrophobicContact SD-CB 3.95Å; M523-K541 HydrophobicContact SD-CG 3.67Å; E524-K541 HydrophobicContact CG-CD 4.45Å; E524-K541 HydrophobicContact CG-CG 4.3Å; E537-K541 WeakPolarHBondContact OE1-CE 3.43Å; E537-K541 IonicContact OE1-NZ 3.57Å; E537-K541 PolarHBondContact OE1-NZ 3.2Å; P538-K541 WeakPolarHBondContact O-CD 3.41Å; P538-K541 WeakPolarHBondContact O-CE 3.43Å; P538-K541 PolarHBondContact O-NZ 3.26Å; K541-F544 PolarHBondContact O-N 3.23Å; K541-I545 WeakPolarHBondContact O-CD1 3.15Å; K541-I545 VanDerWaalsContact O-CG1 3.25Å; K541-I545 WeakPolarHBondContact O-CG1 3.24Å; K541-I545 PolarHBondContact O-N 2.68Å |
| 542 | M | 97.8 | Very high | 95.6 | Very high | 40 Ų | 40 | 67.3 Ų | 67.3 | 20% | 0.197 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.8 | -51 | 177.3 | -175.8 | 61.8 | 74.2 | 0 | 0 | 110.8 | K516 E517 C520 N540 F544 I545 E546 | K516-M542 HydrophobicContact CB-CE 4.32Å; K516-M542 HydrophobicContact CB-SD 3.89Å; K516-M542 HydrophobicContact CD-SD 4.42Å; E517-M542 HydrophobicContact CG-CE 4.38Å; C520-M542 HydrophobicContact CB-CE 4.01Å; N540-M542 PolarHBondContact OD1-N 2.87Å; M542-F544 PolarHBondContact O-N 3.33Å; M542-I545 PolarHBondContact O-N 2.73Å; M542-I545 VanDerWaalsContact O-N 3.14Å; M542-E546 WeakPolarHBondContact O-CG 3.18Å; M542-E546 PolarHBondContact O-N 3.03Å; M542-E546 HydrophobicContact SD-CG 4.45Å |
| 543 | E | 97.2 | Very high | 95.5 | Very high | 126 Ų | 126 | 73.8 Ų | 73.8 | 59% | 0.589 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.2 | -38.6 | 176 | -77.4 | 174.2 | -157.1 | 0 | 0 | 111.8 | N540 E546 S547 | N540-E543 HydrophobicContact CB-CB 4.06Å; N540-E543 HydrophobicContact CB-CG 4.28Å; N540-E543 WeakPolarHBondContact ND2-CG 3.44Å; N540-E543 PolarHBondContact ND2-OE1 3.41Å; N540-E543 PolarHBondContact OD1-N 2.96Å; N540-E543 VanDerWaalsContact OD1-N 3.1Å; E543-E546 PolarHBondContact O-N 3.25Å; E543-S547 WeakPolarHBondContact O-CB 3.49Å; E543-S547 PolarHBondContact O-N 3.45Å |
| 544 | F | 96.6 | Very high | 95.4 | Very high | 24 Ų | 24 | 70.7 Ų | 70.7 | 11% | 0.105 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60 | -50.6 | 173.9 | 177.6 | -107.9 | 0 | 0 | 0 | 111.7 | L472 M523 F534 P538 N540 K541 M542 E546 S547 Y548 | L472-F544 HydrophobicContact CB-CE1 3.97Å; M523-F544 HydrophobicContact CE-CD1 4.01Å; M523-F544 HydrophobicContact CE-CE1 4.08Å; M523-F544 HydrophobicContact SD-CD1 3.91Å; M523-F544 HydrophobicContact SD-CE1 4.27Å; F534-F544 HydrophobicContact CD1-CE2 4.3Å; F534-F544 AromaticContact CD1-CZ 3.83Å; F534-F544 HydrophobicContact CD1-CZ 3.83Å; F534-F544 HydrophobicContact CD2-CZ 4.35Å; F534-F544 AromaticContact CE1-CE2 3.57Å; F534-F544 HydrophobicContact CE1-CE2 3.57Å; F534-F544 AromaticContact CE1-CZ 3.53Å; F534-F544 HydrophobicContact CE1-CZ 3.53Å; F534-F544 HydrophobicContact CE2-CE2 4.46Å; F534-F544 HydrophobicContact CE2-CZ 4.07Å; F534-F544 HydrophobicContact CG-CZ 4.24Å; F534-F544 AromaticContact CZ-CE2 3.67Å; F534-F544 HydrophobicContact CZ-CE2 3.67Å; F534-F544 AromaticContact CZ-CZ 3.66Å; F534-F544 HydrophobicContact CZ-CZ 3.66Å; P538-F544 HydrophobicContact CB-CB 3.7Å; P538-F544 HydrophobicContact CB-CD1 4.3Å; P538-F544 HydrophobicContact CB-CD2 4.07Å; P538-F544 HydrophobicContact CB-CG 3.78Å; P538-F544 HydrophobicContact CG-CB 3.99Å; P538-F544 HydrophobicContact CG-CD1 3.63Å; P538-F544 HydrophobicContact CG-CD2 3.7Å; P538-F544 HydrophobicContact CG-CE1 3.92Å; P538-F544 HydrophobicContact CG-CE2 4Å; P538-F544 HydrophobicContact CG-CG 3.5Å; P538-F544 VanDerWaalsContact CG-CG 3.5Å; P538-F544 HydrophobicContact CG-CZ 4.11Å; N540-F544 WeakPolarHBondContact O-CB 3.48Å; N540-F544 PolarHBondContact O-N 2.95Å; K541-F544 PolarHBondContact O-N 3.23Å; M542-F544 PolarHBondContact O-N 3.33Å; F544-E546 VanDerWaalsContact C-N 3.29Å; F544-E546 PolarHBondContact O-N 3.19Å; F544-S547 PolarHBondContact O-N 3.35Å; F544-S547 PolarHBondContact O-OG 2.71Å; F544-Y548 AromaticContact CD2-CE2 3.99Å; F544-Y548 HydrophobicContact CD2-CE2 3.99Å; F544-Y548 HydrophobicContact CE2-CD2 4.38Å; F544-Y548 AromaticContact CE2-CE2 3.5Å; F544-Y548 HydrophobicContact CE2-CE2 3.5Å; F544-Y548 AromaticContact CZ-CE2 3.83Å; F544-Y548 HydrophobicContact CZ-CE2 3.83Å; F544-Y548 WeakPolarHBondContact O-CD2 3.16Å |
| 545 | I | 95.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.5 | -43.6 | 175.8 | -70.8 | 162.6 | 0 | 0 | 0 | 111 | L472 K516 C520 M523 K541 M542 S547 Y548 | L472-I545 HydrophobicContact CD1-CG1 4.17Å; K516-I545 HydrophobicContact CG-CG2 4.3Å; C520-I545 HydrophobicContact CB-CD1 3.94Å; M523-I545 HydrophobicContact CE-CD1 4.07Å; M523-I545 HydrophobicContact CE-CG1 3.79Å; K541-I545 WeakPolarHBondContact O-CD1 3.15Å; K541-I545 VanDerWaalsContact O-CG1 3.25Å; K541-I545 WeakPolarHBondContact O-CG1 3.24Å; K541-I545 PolarHBondContact O-N 2.68Å; M542-I545 PolarHBondContact O-N 2.73Å; M542-I545 VanDerWaalsContact O-N 3.14Å; I545-S547 VanDerWaalsContact C-N 3.32Å; I545-S547 PolarHBondContact O-N 3.25Å; I545-Y548 PolarHBondContact O-N 2.88Å |
| 546 | E | 95.5 | Very high | 94.9 | Very high | 92 Ų | 92 | 68.3 Ų | 68.3 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.1 | -30.6 | -179.8 | -68.8 | -167.1 | 138.7 | 0 | 0 | 113.4 | K516 M542 E543 F544 Y548 Y549 | K516-E546 HydrophobicContact CD-CG 4.19Å; K516-E546 IonicContact NZ-OE1 3.33Å; K516-E546 PolarHBondContact NZ-OE1 3.11Å; M542-E546 WeakPolarHBondContact O-CG 3.18Å; M542-E546 PolarHBondContact O-N 3.03Å; M542-E546 HydrophobicContact SD-CG 4.45Å; E543-E546 PolarHBondContact O-N 3.25Å; F544-E546 VanDerWaalsContact C-N 3.29Å; F544-E546 PolarHBondContact O-N 3.19Å; E546-Y548 PolarHBondContact O-N 3.44Å; E546-Y549 WeakPolarHBondContact O-CB 3.46Å; E546-Y549 PolarHBondContact O-N 3.5Å; E546-Y549 VanDerWaalsContact O-N 3.11Å |
| 547 | S | 94.7 | Very high | 94.6 | Very high | 83 Ų | 83 | 63.7 Ų | 63.7 | 58% | 0.58 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65 | -24.7 | 178.4 | 76.3 | 0 | 0 | 0 | 0 | 113.9 | E543 F544 I545 | E543-S547 WeakPolarHBondContact O-CB 3.49Å; E543-S547 PolarHBondContact O-N 3.45Å; F544-S547 PolarHBondContact O-N 3.35Å; F544-S547 PolarHBondContact O-OG 2.71Å; I545-S547 VanDerWaalsContact C-N 3.32Å; I545-S547 PolarHBondContact O-N 3.25Å |
| 548 | Y | 92.3 | Very high | 93.9 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -3.2 | 176.1 | -72.4 | -89.2 | 0 | 0 | 0 | 113.6 | Q189 L472 F544 I545 E546 Y550 | Q189-Y548 PolarHBondContact NE2-O 2.91Å; L472-Y548 HydrophobicContact CD2-CD1 4.06Å; L472-Y548 HydrophobicContact CD2-CD2 3.89Å; L472-Y548 HydrophobicContact CD2-CE2 4.45Å; L472-Y548 HydrophobicContact CD2-CG 3.68Å; F544-Y548 AromaticContact CD2-CE2 3.99Å; F544-Y548 HydrophobicContact CD2-CE2 3.99Å; F544-Y548 HydrophobicContact CE2-CD2 4.38Å; F544-Y548 AromaticContact CE2-CE2 3.5Å; F544-Y548 HydrophobicContact CE2-CE2 3.5Å; F544-Y548 AromaticContact CZ-CE2 3.83Å; F544-Y548 HydrophobicContact CZ-CE2 3.83Å; F544-Y548 WeakPolarHBondContact O-CD2 3.16Å; I545-Y548 PolarHBondContact O-N 2.88Å; E546-Y548 PolarHBondContact O-N 3.44Å; Y548-Y550 PolarHBondContact O-N 3.47Å |
| 549 | Y | 93.8 | Very high | 93.1 | Very high | 46 Ų | 46 | 63.5 Ų | 63.5 | 18% | 0.18 | 31% | 0.314 | C | S | . | . | trans | -69.3 | 130.1 | -171 | -157.4 | -82.5 | 0 | 0 | 0 | 111.8 | R96 G187 K516 E546 D551 | R96-Y549 PolarHBondContact NH1-OH 3.31Å; G187-Y549 CarbonylContact O-C 3.43Å; G187-Y549 WeakPolarHBondContact O-CA 3.33Å; K516-Y549 HydrophobicContact CD-CE2 4.38Å; K516-Y549 VanDerWaalsContact CE-CD2 3.42Å; K516-Y549 HydrophobicContact CG-CE2 4.23Å; E546-Y549 WeakPolarHBondContact O-CB 3.46Å; E546-Y549 PolarHBondContact O-N 3.5Å; E546-Y549 VanDerWaalsContact O-N 3.11Å; Y549-D551 PolarHBondContact O-N 2.87Å | ||
| 550 | Y | 95.4 | Very high | 92.2 | Very high | 15 Ų | 15 | 62.4 Ų | 62.4 | 6% | 0.059 | 31% | 0.308 | C | S | . | . | trans | -65.8 | 120 | -178.5 | 178.7 | -106.7 | 0 | 0 | 0 | 111.9 | E88 Y92 T183 G187 P190 Y548 H552 | E88-Y550 PolarHBondContact OE1-OH 3.06Å; Y92-Y550 HydrophobicContact CD2-CD1 4.39Å; Y92-Y550 AromaticContact CD2-CE1 3.57Å; Y92-Y550 HydrophobicContact CD2-CE1 3.57Å; Y92-Y550 HydrophobicContact CE2-CE1 4.34Å; Y92-Y550 AromaticContact CG-CE1 3.96Å; Y92-Y550 HydrophobicContact CG-CE1 3.96Å; T183-Y550 HydrophobicContact CG2-CD1 3.48Å; T183-Y550 VanDerWaalsContact CG2-CD1 3.48Å; T183-Y550 HydrophobicContact CG2-CE1 4.02Å; T183-Y550 HydrophobicContact CG2-CG 3.89Å; G187-Y550 WeakPolarHBondContact O-CB 3.31Å; G187-Y550 PolarHBondContact O-N 3.22Å; P190-Y550 VanDerWaalsContact CD-CD2 3.42Å; P190-Y550 VanDerWaalsContact CD-CE2 3.44Å; P190-Y550 HydrophobicContact CG-CD2 4.21Å; P190-Y550 HydrophobicContact CG-CE1 4.31Å; P190-Y550 HydrophobicContact CG-CE2 3.83Å; Y548-Y550 PolarHBondContact O-N 3.47Å; Y550-H552 HydrophobicContact CD1-CB 4.15Å; Y550-H552 HydrophobicContact CE1-CB 3.8Å; Y550-H552 PolarHBondContact O-N 3.05Å | ||
| 551 | D | 93.9 | Very high | 91.2 | Very high | 64 Ų | 64 | 64.8 Ų | 64.8 | 34% | 0.342 | 32% | 0.317 | S | S | . | . | trans | -89.2 | 100.5 | 172.9 | -170.2 | -2.9 | 0 | 0 | 0 | 111.1 | K89 Y549 R553 | K89-D551 PolarHBondContact NZ-O 3.35Å; Y549-D551 PolarHBondContact O-N 2.87Å; D551-R553 PolarHBondContact O-N 2.82Å; D551-R553 WeakPolarHBondContact OD1-CB 3.36Å; D551-R553 VanDerWaalsContact OD1-CG 3.28Å; D551-R553 WeakPolarHBondContact OD1-CG 3.28Å; D551-R553 IonicContact OD1-CZ 2.73Å; D551-R553 PolarHBondContact OD1-N 2.7Å; D551-R553 IonicContact OD1-NE 3.28Å; D551-R553 PolarHBondContact OD1-NE 3.36Å; D551-R553 IonicContact OD1-NH2 3.79Å; D551-R553 IonicContact OD2-CZ 3.83Å; D551-R553 IonicContact OD2-NE 2.68Å; D551-R553 PolarHBondContact OD2-NE 3Å; D551-R553 VanDerWaalsContact OD2-NE 3.11Å; D551-R553 IonicContact OD2-NH2 2.57Å; D551-R553 PolarHBondContact OD2-NH2 3.05Å | ||
| 552 | H | 94.9 | Very high | 90.6 | Very high | 26 Ų | 26 | 72.3 Ų | 72.3 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | trans | -73.8 | -3.1 | 177.1 | 59.1 | 50.7 | 0 | 0 | 0 | 113.8 | Q56 K89 Y550 | Q56-H552 PolarHBondContact NE2-O 2.94Å; K89-H552 WeakPolarHBondContact CB-O 3.26Å; Y550-H552 HydrophobicContact CD1-CB 4.15Å; Y550-H552 HydrophobicContact CE1-CB 3.8Å; Y550-H552 PolarHBondContact O-N 3.05Å | ||
| 553 | R | 95.2 | Very high | 89.8 | Confident | 148 Ų | 148 | 77.5 Ų | 77.5 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -70.6 | 142.3 | 175.1 | -63.6 | 174.9 | -63.3 | 176.7 | 2.8 | 110.1 | K89 D551 I555 | K89-R553 WeakPolarHBondContact CD-O 3.38Å; K89-R553 PolarHBondContact NZ-O 3.07Å; D551-R553 PolarHBondContact O-N 2.82Å; D551-R553 WeakPolarHBondContact OD1-CB 3.36Å; D551-R553 VanDerWaalsContact OD1-CG 3.28Å; D551-R553 WeakPolarHBondContact OD1-CG 3.28Å; D551-R553 IonicContact OD1-CZ 2.73Å; D551-R553 PolarHBondContact OD1-N 2.7Å; D551-R553 IonicContact OD1-NE 3.28Å; D551-R553 PolarHBondContact OD1-NE 3.36Å; D551-R553 IonicContact OD1-NH2 3.79Å; D551-R553 IonicContact OD2-CZ 3.83Å; D551-R553 IonicContact OD2-NE 2.68Å; D551-R553 PolarHBondContact OD2-NE 3Å; D551-R553 VanDerWaalsContact OD2-NE 3.11Å; D551-R553 IonicContact OD2-NH2 2.57Å; D551-R553 PolarHBondContact OD2-NH2 3.05Å; R553-I555 PolarHBondContact O-N 3.46Å |
| 554 | Y | 94.5 | Very high | 88.9 | Confident | 42 Ų | 42 | 85.6 Ų | 85.6 | 17% | 0.165 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 137.3 | 172.8 | -65.8 | -36.7 | 0 | 0 | 0 | 111.5 | K31 S34 Q56 E59 N87 K89 L90 | K31-Y554 HydrophobicContact CB-CD1 4.07Å; K31-Y554 HydrophobicContact CB-CD2 4.05Å; K31-Y554 HydrophobicContact CB-CE1 3.97Å; K31-Y554 HydrophobicContact CB-CE2 3.94Å; K31-Y554 HydrophobicContact CB-CG 4.12Å; K31-Y554 HydrophobicContact CD-CD1 4.38Å; K31-Y554 HydrophobicContact CD-CD2 4.31Å; K31-Y554 HydrophobicContact CD-CG 3.99Å; K31-Y554 HydrophobicContact CG-CD1 3.78Å; K31-Y554 HydrophobicContact CG-CD2 4.29Å; K31-Y554 HydrophobicContact CG-CE1 4.11Å; K31-Y554 HydrophobicContact CG-CG 3.88Å; K31-Y554 PolarHBondContact O-OH 3.31Å; S34-Y554 WeakPolarHBondContact OG-CE2 3.42Å; Q56-Y554 HydrophobicContact CB-CD2 3.59Å; Q56-Y554 HydrophobicContact CB-CE2 3.46Å; Q56-Y554 VanDerWaalsContact CB-CE2 3.46Å; Q56-Y554 HydrophobicContact CB-CG 4.47Å; Q56-Y554 HydrophobicContact CG-CD2 3.74Å; Q56-Y554 HydrophobicContact CG-CE1 4.25Å; Q56-Y554 HydrophobicContact CG-CE2 3.37Å; Q56-Y554 HydrophobicContact CG-CG 4.32Å; E59-Y554 PolarHBondContact OE2-OH 3.43Å; N87-Y554 PolarHBondContact ND2-OH 3.49Å; K89-Y554 HydrophobicContact CB-CD1 3.78Å; K89-Y554 HydrophobicContact CB-CE1 3.79Å; K89-Y554 HydrophobicContact CD-CD1 4.19Å; L90-Y554 WeakPolarHBondContact CB-OH 3.41Å |
| 555 | I | 89 | Confident | 88.6 | Confident | 42 Ų | 42 | 88.7 Ų | 88.7 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 139.1 | 179.1 | 46.1 | 164.5 | 0 | 0 | 0 | 109.7 | P14 K31 R553 F557 | P14-I555 HydrophobicContact CG-CD1 3.51Å; K31-I555 WeakPolarHBondContact CE-O 3.19Å; K31-I555 PolarHBondContact NZ-O 3.36Å; R553-I555 PolarHBondContact O-N 3.46Å; I555-F557 HydrophobicContact CD1-CD1 3.98Å; I555-F557 HydrophobicContact CD1-CE1 3.22Å; I555-F557 HydrophobicContact CD1-CE2 4.49Å; I555-F557 HydrophobicContact CD1-CZ 3.52Å; I555-F557 HydrophobicContact CG1-CD1 4.32Å; I555-F557 HydrophobicContact CG1-CE1 3.7Å; I555-F557 HydrophobicContact CG1-CE2 4.11Å; I555-F557 HydrophobicContact CG1-CZ 3.55Å; I555-F557 PolarHBondContact O-N 2.93Å |
| 556 | N | 87.8 | Confident | 88.2 | Confident | 91 Ų | 91 | 93.3 Ų | 93.3 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 127 | 173 | -171 | -6.1 | 0 | 0 | 0 | 109.8 | E39 T558 | E39-N556 PolarHBondContact OE1-OD1 3.43Å; N556-T558 VanDerWaalsContact CG-OG1 3.27Å; N556-T558 PolarHBondContact ND2-OG1 3.07Å; N556-T558 WeakPolarHBondContact OD1-CG2 3.07Å; N556-T558 PolarHBondContact OD1-N 3.15Å; N556-T558 PolarHBondContact OD1-OG1 3.29Å |
| 557 | F | 87.7 | Confident | 87.8 | Confident | 15 Ų | 15 | 93.4 Ų | 93.4 | 7% | 0.066 | 44% | 0.442 | C | S | . | . | trans | -99.7 | 2.6 | 179.3 | -68.5 | -66.6 | 0 | 0 | 0 | 113.5 | P14 L16 T29 K31 Y35 E39 L43 I555 | P14-F557 HydrophobicContact CG-CE1 4.21Å; L16-F557 HydrophobicContact CD1-CB 3.52Å; L16-F557 HydrophobicContact CD1-CD1 3.77Å; L16-F557 HydrophobicContact CD1-CD2 4.17Å; L16-F557 HydrophobicContact CD1-CE1 4.48Å; L16-F557 HydrophobicContact CD1-CG 3.59Å; L16-F557 HydrophobicContact CD2-CD1 3.79Å; L16-F557 HydrophobicContact CD2-CE1 3.8Å; L16-F557 HydrophobicContact CD2-CG 4.37Å; L16-F557 HydrophobicContact CD2-CZ 4.43Å; L16-F557 HydrophobicContact CG-CB 4.15Å; L16-F557 HydrophobicContact CG-CD1 3.63Å; L16-F557 HydrophobicContact CG-CE1 4.18Å; L16-F557 HydrophobicContact CG-CG 4.01Å; T29-F557 HydrophobicContact CG2-CZ 4.3Å; T29-F557 VanDerWaalsContact O-CE2 3.22Å; T29-F557 WeakPolarHBondContact O-CE2 3.22Å; K31-F557 HydrophobicContact CD-CE2 4.39Å; K31-F557 HydrophobicContact CG-CE2 4.31Å; Y35-F557 HydrophobicContact CE1-CD2 4.16Å; E39-F557 PolarHBondContact OE1-N 2.82Å; L43-F557 HydrophobicContact CD1-CB 4.14Å; L43-F557 HydrophobicContact CD2-CB 4.48Å; I555-F557 HydrophobicContact CD1-CD1 3.98Å; I555-F557 HydrophobicContact CD1-CE1 3.22Å; I555-F557 HydrophobicContact CD1-CE2 4.49Å; I555-F557 HydrophobicContact CD1-CZ 3.52Å; I555-F557 HydrophobicContact CG1-CD1 4.32Å; I555-F557 HydrophobicContact CG1-CE1 3.7Å; I555-F557 HydrophobicContact CG1-CE2 4.11Å; I555-F557 HydrophobicContact CG1-CZ 3.55Å; I555-F557 PolarHBondContact O-N 2.93Å | ||
| 558 | T | 83.5 | Confident | 87.4 | Confident | 28 Ų | 28 | 94 Ų | 94 | 17% | 0.172 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -61.9 | 143.8 | 172 | 58.9 | 0 | 0 | 0 | 0 | 110.2 | E39 L42 N556 | E39-T558 HydrophobicContact CG-CG2 3.61Å; L42-T558 HydrophobicContact CD1-CG2 3.73Å; N556-T558 VanDerWaalsContact CG-OG1 3.27Å; N556-T558 PolarHBondContact ND2-OG1 3.07Å; N556-T558 WeakPolarHBondContact OD1-CG2 3.07Å; N556-T558 PolarHBondContact OD1-N 3.15Å; N556-T558 PolarHBondContact OD1-OG1 3.29Å |
| 559 | P | 78.5 | Confident | 87.1 | Confident | 79 Ų | 79 | 93.3 Ų | 93.3 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 152.2 | 170.4 | -22.5 | 33.2 | 0 | 0 | 0 | 111.2 | Q561 | P559-Q561 PolarHBondContact O-N 2.86Š|
| 560 | D | 78.1 | Confident | 86.6 | Confident | 146 Ų | 146 | 96.4 Ų | 96.4 | 78% | 0.781 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 125.6 | 167.3 | -169.4 | 20.9 | 0 | 0 | 0 | 109 | ||
| 561 | Q | 76.4 | Confident | 86 | Confident | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | trans | -122.9 | 129.1 | -174.9 | -70.5 | 177.6 | 4.9 | 0 | 0 | 108.9 | P559 | P559-Q561 PolarHBondContact O-N 2.86Š| ||
| 562 | Y | 83.3 | Confident | 85.4 | Confident | 186 Ų | 186 | 105.2 Ų | 105.2 | 73% | 0.729 | 49% | 0.491 | S | S | * | . | trans | -135.6 | 143.7 | 175.1 | 55.1 | -87.9 | 0 | 0 | 0 | 109.7 | ||||
| 563 | V | 81.9 | Confident | 84.6 | Confident | 149 Ų | 149 | 111.8 Ų | 111.8 | 90% | 0.903 | 52% | 0.522 | S | S | * | . | trans | -83.3 | 125.5 | 170.9 | -177.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 564 | W | 79.1 | Confident | 83.6 | Confident | 297 Ų | 297 | 108.5 Ų | 108.5 | 100% | 1.125 | 52% | 0.519 | S | S | * | . | trans | -86.5 | 0 | 177.2 | -175.9 | 55.4 | 0 | 0 | 0 | 111.2 |
Retrieved 564 of 564 residues in 345.2 ms
(Link to these results)