| 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 | 33.8 | Very low | 64.2 | Low | 239 Ų | 239 | 128.9 Ų | 128.9 | 100% | 1.177 | 63% | 0.63 | S | S | * | * | 0 | 121 | 0 | -79.1 | 179.4 | -122.4 | 0 | 0 | 106 | |||||
| 2 | E | 25.9 | Very low | 66.9 | Low | 182 Ų | 182 | 132.5 Ų | 132.5 | 85% | 0.85 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 138.5 | 168.5 | -71.8 | 178.2 | 160.4 | 0 | 0 | 108.3 | E4 | E2-E4 PolarHBondContact O-N 3.45Å; E2-E4 VanDerWaalsContact O-N 3.13Å |
| 3 | P | 39.8 | Very low | 69.2 | Low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 120 | 175.3 | 23.3 | -29.7 | 0 | 0 | 0 | 108.4 | V5 | P3-V5 PolarHBondContact O-N 3.05Š|
| 4 | E | 54.1 | Low | 71.3 | Confident | 180 Ų | 180 | 124 Ų | 124 | 84% | 0.841 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 126.8 | 174.3 | -79.4 | -173.7 | 154.1 | 0 | 0 | 109 | E2 | E2-E4 PolarHBondContact O-N 3.45Å; E2-E4 VanDerWaalsContact O-N 3.13Å |
| 5 | V | 57.9 | Low | 73.1 | Confident | 117 Ų | 117 | 116.7 Ų | 116.7 | 71% | 0.709 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126.9 | 177.1 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | P3 R7 | P3-V5 PolarHBondContact O-N 3.05Å; V5-R7 PolarHBondContact O-N 2.89Å |
| 6 | P | 63.2 | Low | 74.7 | Confident | 68 Ų | 68 | 117.9 Ų | 117.9 | 44% | 0.442 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -55 | 137.3 | -180 | -24.8 | 32.3 | 0 | 0 | 0 | 111.2 | R8 Q551 | P6-R8 PolarHBondContact O-N 3.31Å; P6-Q551 HydrophobicContact CB-CB 4.46Å |
| 7 | R | 77.1 | Confident | 76.1 | Confident | 116 Ų | 116 | 117.6 Ų | 117.6 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 138.1 | 172.1 | -71.1 | -176.5 | -177.6 | -175.9 | 2.4 | 108.8 | V5 M544 D550 Q551 | V5-R7 PolarHBondContact O-N 2.89Å; R7-M544 PolarHBondContact NH1-O 2.77Å; R7-M544 PolarHBondContact NH2-O 3.23Å; R7-M544 VanDerWaalsContact NH2-O 3.13Å; R7-D550 WeakPolarHBondContact CB-OD1 3.38Å; R7-D550 CarbonylContact O-C 3.53Å; R7-D550 WeakPolarHBondContact O-CA 3.2Å; R7-D550 WeakPolarHBondContact O-CB 3.35Å; R7-Q551 PolarHBondContact O-N 3.11Å |
| 8 | R | 77.9 | Confident | 77.3 | Confident | 151 Ų | 151 | 111.1 Ų | 111.1 | 57% | 0.57 | 53% | 0.533 | S | S | * | . | B | Isolated β-bridge | trans | -99.7 | 134.8 | -176.8 | -65.1 | 175.7 | 173.9 | -165.6 | -15.6 | 110.1 | P6 D555 | P6-R8 PolarHBondContact O-N 3.31Å; R8-D555 IonicContact CZ-OD1 3.89Å; R8-D555 VanDerWaalsContact CZ-OD1 3.25Å; R8-D555 IonicContact CZ-OD2 2.85Å; R8-D555 IonicContact NH1-OD1 3.47Å; R8-D555 PolarHBondContact NH1-OD1 3.5Å; R8-D555 VanDerWaalsContact NH1-OD1 3.14Å; R8-D555 IonicContact NH1-OD2 2.78Å; R8-D555 PolarHBondContact NH1-OD2 2.89Å; R8-D555 IonicContact NH2-OD1 2.85Å; R8-D555 PolarHBondContact NH2-OD1 3.37Å; R8-D555 IonicContact NH2-OD2 3.97Å |
| 9 | R | 90.6 | Very high | 78.4 | Confident | 65 Ų | 65 | 106.6 Ų | 106.6 | 25% | 0.245 | 51% | 0.513 | C | S | . | . | trans | -130.6 | 132.7 | 172.3 | -179.1 | 179.9 | -178.2 | 174.4 | 7.7 | 107.7 | H23 Q186 D550 Q551 I552 | R9-H23 PolarHBondContact NH1-O 3.44Å; R9-H23 VanDerWaalsContact NH1-O 3.16Å; R9-Q186 VanDerWaalsContact CZ-OE1 3.24Å; R9-Q186 VanDerWaalsContact NH1-NE2 3.1Å; R9-D550 HydrophobicContact CB-CB 4.19Å; R9-Q551 PolarHBondContact N-O 3.17Å; R9-I552 HydrophobicContact CB-CG2 4.35Å; R9-I552 VanDerWaalsContact O-CA 3.29Å; R9-I552 WeakPolarHBondContact O-CA 3.24Å | ||
| 10 | H | 90.4 | Very high | 79.4 | Confident | 154 Ų | 154 | 108.6 Ų | 108.6 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | trans | -93.7 | 149.5 | 172.1 | 72 | -82.7 | 0 | 0 | 0 | 109.9 | ||||
| 11 | T | 95.3 | Very high | 80.3 | Confident | 24 Ų | 24 | 104.8 Ų | 104.8 | 15% | 0.147 | 50% | 0.498 | C | S | . | . | trans | -149.5 | 145.2 | 172.9 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | Q13 R14 L24 I552 | T11-Q13 PolarHBondContact OG1-N 3.18Å; T11-Q13 VanDerWaalsContact OG1-N 3.12Å; T11-R14 PolarHBondContact O-NH1 3.12Å; T11-R14 PolarHBondContact O-NH2 3.16Å; T11-L24 HydrophobicContact CG2-CD1 4.27Å; T11-L24 HydrophobicContact CG2-CD2 4.34Å; T11-I552 HydrophobicContact CG2-CB 4.21Å | ||
| 12 | H | 96.4 | Very high | 83.3 | Confident | 172 Ų | 172 | 94.4 Ų | 94.4 | 80% | 0.796 | 45% | 0.449 | S | S | * | . | trans | -92.8 | -12.6 | 170.5 | -61 | -63.9 | 0 | 0 | 0 | 112.7 | ||||
| 13 | Q | 97.4 | Very high | 86.7 | Confident | 61 Ų | 61 | 87.4 Ų | 87.4 | 29% | 0.285 | 42% | 0.416 | S | S | . | . | trans | -68.9 | 139.5 | 179.8 | -163.6 | 169.8 | 0.1 | 0 | 0 | 110.4 | T11 L17 L18 N21 L24 | T11-Q13 PolarHBondContact OG1-N 3.18Å; T11-Q13 VanDerWaalsContact OG1-N 3.12Å; Q13-L17 HydrophobicContact CG-CB 4.39Å; Q13-L17 VanDerWaalsContact NE2-C 3.27Å; Q13-L17 PolarHBondContact NE2-O 3.13Å; Q13-L18 HydrophobicContact CG-CB 4.3Å; Q13-L18 WeakPolarHBondContact O-CD1 3.49Å; Q13-N21 PolarHBondContact OE1-ND2 3.13Å; Q13-L24 HydrophobicContact CB-CD1 4.11Å | ||
| 14 | R | 97.8 | Very high | 89.5 | Confident | 85 Ų | 85 | 81.9 Ų | 81.9 | 32% | 0.321 | 38% | 0.38 | S | S | . | . | trans | -143.8 | 171.2 | -176.7 | -66.9 | -67 | -178.7 | -75.7 | -1.8 | 111 | T11 | T11-R14 PolarHBondContact O-NH1 3.12Å; T11-R14 PolarHBondContact O-NH2 3.16Å | ||
| 15 | G | 98.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 73.6 Ų | 73.6 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | 62.2 | -151.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L17 L18 L38 N39 I40 | G15-L17 VanDerWaalsContact C-N 3.27Å; G15-L17 PolarHBondContact O-N 3.43Å; G15-L18 WeakPolarHBondContact O-CB 3.37Å; G15-L18 PolarHBondContact O-N 2.81Å; G15-L38 PolarHBondContact N-O 2.87Å; G15-N39 WeakPolarHBondContact CA-O 3.48Å; G15-I40 VanDerWaalsContact O-CG2 3.22Å; G15-I40 WeakPolarHBondContact O-CG2 3.4Å |
| 16 | Y | 98.6 | Very high | 93.6 | Very high | 136 Ų | 136 | 68.6 Ų | 68.6 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -54.4 | -40.7 | -177.2 | 175.8 | -101.8 | 0 | 0 | 0 | 113.1 | L18 T19 R20 | Y16-L18 PolarHBondContact O-N 3.41Å; Y16-T19 PolarHBondContact O-N 2.93Å; Y16-T19 PolarHBondContact O-OG1 3.28Å; Y16-R20 HydrophobicContact CD1-CG 4.1Å; Y16-R20 HydrophobicContact CE1-CG 3.64Å; Y16-R20 HydrophobicContact CE2-CG 4.46Å; Y16-R20 PolarHBondContact O-N 3.4Å |
| 17 | L | 98.3 | Very high | 95.3 | Very high | 113 Ų | 113 | 66.8 Ų | 66.8 | 59% | 0.592 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -61.6 | -31.6 | -178.7 | -66.4 | 177.7 | 0 | 0 | 0 | 112.3 | Q13 G15 T19 R20 N21 | Q13-L17 HydrophobicContact CG-CB 4.39Å; Q13-L17 VanDerWaalsContact NE2-C 3.27Å; Q13-L17 PolarHBondContact NE2-O 3.13Å; G15-L17 VanDerWaalsContact C-N 3.27Å; G15-L17 PolarHBondContact O-N 3.43Å; L17-T19 VanDerWaalsContact C-N 3.31Å; L17-T19 PolarHBondContact O-N 3.17Å; L17-R20 WeakPolarHBondContact O-CB 3.15Å; L17-R20 PolarHBondContact O-N 3.47Å; L17-R20 VanDerWaalsContact O-N 3.12Å; L17-N21 PolarHBondContact O-N 3.25Å |
| 18 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 175.8 | -178 | 151.2 | 0 | 0 | 0 | 111.8 | Q13 G15 Y16 R20 N21 L24 F30 L38 I40 I552 | Q13-L18 HydrophobicContact CG-CB 4.3Å; Q13-L18 WeakPolarHBondContact O-CD1 3.49Å; G15-L18 WeakPolarHBondContact O-CB 3.37Å; G15-L18 PolarHBondContact O-N 2.81Å; Y16-L18 PolarHBondContact O-N 3.41Å; L18-R20 PolarHBondContact O-N 3.22Å; L18-N21 PolarHBondContact O-N 3.37Å; L18-L24 HydrophobicContact CG-CB 4.24Å; L18-L24 HydrophobicContact CG-CD1 4.49Å; L18-F30 HydrophobicContact CD2-CE1 4.25Å; L18-F30 HydrophobicContact CD2-CE2 4.02Å; L18-F30 HydrophobicContact CD2-CZ 3.47Å; L18-F30 VanDerWaalsContact CD2-CZ 3.47Å; L18-L38 HydrophobicContact CD1-CB 4.34Å; L18-L38 HydrophobicContact CD1-CD1 4.11Å; L18-L38 HydrophobicContact CD1-CD2 3.93Å; L18-L38 HydrophobicContact CD1-CG 4.35Å; L18-L38 HydrophobicContact CD2-CD1 4.46Å; L18-I40 HydrophobicContact CD2-CD1 4.48Å; L18-I552 HydrophobicContact CD1-CD1 4.12Å |
| 19 | T | 98.2 | Very high | 97.3 | Very high | 26 Ų | 26 | 55.6 Ų | 55.6 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.7 | -14.1 | 177.4 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | Y16 L17 I40 | Y16-T19 PolarHBondContact O-N 2.93Å; Y16-T19 PolarHBondContact O-OG1 3.28Å; L17-T19 VanDerWaalsContact C-N 3.31Å; L17-T19 PolarHBondContact O-N 3.17Å; T19-I40 HydrophobicContact CG2-CB 4.31Å; T19-I40 HydrophobicContact CG2-CG2 3.83Å |
| 20 | R | 98.1 | Very high | 97.7 | Very high | 146 Ų | 146 | 52.5 Ų | 52.5 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -90.8 | -14.5 | 175.3 | -55.2 | -54.6 | -67.3 | -174 | -6.7 | 113.4 | Y16 L17 L18 P22 | Y16-R20 HydrophobicContact CD1-CG 4.1Å; Y16-R20 HydrophobicContact CE1-CG 3.64Å; Y16-R20 HydrophobicContact CE2-CG 4.46Å; Y16-R20 PolarHBondContact O-N 3.4Å; L17-R20 WeakPolarHBondContact O-CB 3.15Å; L17-R20 PolarHBondContact O-N 3.47Å; L17-R20 VanDerWaalsContact O-N 3.12Å; L18-R20 PolarHBondContact O-N 3.22Å; R20-P22 WeakPolarHBondContact O-CD 3.42Å |
| 21 | N | 98.1 | Very high | 98.1 | Very high | 30 Ų | 30 | 48.2 Ų | 48.2 | 16% | 0.16 | 23% | 0.232 | C | C | . | . | trans | -88 | 109 | 176.3 | -174.1 | -24.9 | 0 | 0 | 0 | 109.6 | Q13 L17 L18 H23 L24 N25 | Q13-N21 PolarHBondContact OE1-ND2 3.13Å; L17-N21 PolarHBondContact O-N 3.25Å; L18-N21 PolarHBondContact O-N 3.37Å; N21-H23 PolarHBondContact O-N 3.16Å; N21-H23 VanDerWaalsContact O-N 3.16Å; N21-H23 VanDerWaalsContact OD1-CB 3.27Å; N21-H23 WeakPolarHBondContact OD1-CB 3.39Å; N21-H23 PolarHBondContact OD1-CD2 2.97Å; N21-H23 PolarHBondContact OD1-N 2.95Å; N21-L24 HydrophobicContact CB-CB 4.32Å; N21-L24 HydrophobicContact CB-CD1 4.28Å; N21-L24 HydrophobicContact CB-CG 4.4Å; N21-L24 PolarHBondContact O-N 3.37Å; N21-N25 WeakPolarHBondContact O-CB 3.28Å; N21-N25 PolarHBondContact O-N 3.21Å | ||
| 22 | P | 98.1 | Very high | 98.2 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.5 | -176.8 | 27.8 | -35.3 | 0 | 0 | 0 | 113.4 | R20 L24 Q79 E83 | R20-P22 WeakPolarHBondContact O-CD 3.42Å; P22-L24 VanDerWaalsContact C-N 3.31Å; P22-Q79 WeakPolarHBondContact CB-O 3.48Å; P22-E83 VanDerWaalsContact O-CB 3.31Å; P22-E83 WeakPolarHBondContact O-CB 3.32Å; P22-E83 PolarHBondContact O-N 3.42Å |
| 23 | H | 97.6 | Very high | 98.3 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -18 | 177.3 | -49.2 | -59.7 | 0 | 0 | 0 | 113.3 | R9 N21 E83 E142 Q186 | R9-H23 PolarHBondContact NH1-O 3.44Å; R9-H23 VanDerWaalsContact NH1-O 3.16Å; N21-H23 PolarHBondContact O-N 3.16Å; N21-H23 VanDerWaalsContact O-N 3.16Å; N21-H23 VanDerWaalsContact OD1-CB 3.27Å; N21-H23 WeakPolarHBondContact OD1-CB 3.39Å; N21-H23 PolarHBondContact OD1-CD2 2.97Å; N21-H23 PolarHBondContact OD1-N 2.95Å; H23-E83 IonicContact CE1-OE1 2.69Å; H23-E83 PolarHBondContact CE1-OE1 3.45Å; H23-E83 IonicContact CE1-OE2 2.96Å; H23-E83 IonicContact CG-OE2 3.2Å; H23-E83 IonicContact ND1-OE1 2.63Å; H23-E83 PolarHBondContact ND1-OE1 2.87Å; H23-E83 IonicContact ND1-OE2 3.03Å; H23-E83 PolarHBondContact ND1-OE2 3.33Å; H23-E142 IonicContact CD2-OE1 3.14Å; H23-Q186 HydrophobicContact CB-CG 4.45Å; H23-Q186 WeakPolarHBondContact ND1-CG 3.35Å |
| 24 | L | 98.2 | Very high | 98.4 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -29.8 | -177 | -61.3 | 177.3 | 0 | 0 | 0 | 112.5 | T11 Q13 L18 N21 P22 K26 F30 I552 | T11-L24 HydrophobicContact CG2-CD1 4.27Å; T11-L24 HydrophobicContact CG2-CD2 4.34Å; Q13-L24 HydrophobicContact CB-CD1 4.11Å; L18-L24 HydrophobicContact CG-CB 4.24Å; L18-L24 HydrophobicContact CG-CD1 4.49Å; N21-L24 HydrophobicContact CB-CB 4.32Å; N21-L24 HydrophobicContact CB-CD1 4.28Å; N21-L24 HydrophobicContact CB-CG 4.4Å; N21-L24 PolarHBondContact O-N 3.37Å; P22-L24 VanDerWaalsContact C-N 3.31Å; L24-K26 PolarHBondContact O-N 3.32Å; L24-F30 VanDerWaalsContact O-CZ 3.31Å; L24-F30 WeakPolarHBondContact O-CZ 3.35Å; L24-I552 HydrophobicContact CD2-CG2 4.27Å |
| 25 | N | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | trans | -65.3 | 128.4 | -177.2 | -178.7 | 37.8 | 0 | 0 | 0 | 111.7 | N21 D27 R81 N82 | N21-N25 WeakPolarHBondContact O-CB 3.28Å; N21-N25 PolarHBondContact O-N 3.21Å; N25-D27 PolarHBondContact ND2-OD1 2.71Å; N25-D27 PolarHBondContact OD1-N 3.08Å; N25-R81 WeakPolarHBondContact CB-O 3.22Å; N25-R81 PolarHBondContact ND2-O 2.98Å; N25-N82 VanDerWaalsContact O-CG 3.3Å; N25-N82 PolarHBondContact O-OD1 3.39Å | ||
| 26 | K | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 46.5 Ų | 46.5 | 6% | 0.057 | 23% | 0.225 | C | C | . | . | trans | -109.9 | 2.5 | 174.8 | -51.3 | -175 | -176.7 | -179.5 | 0 | 112.7 | L24 L28 A29 F30 E34 Q54 Y549 D550 | L24-K26 PolarHBondContact O-N 3.32Å; K26-L28 PolarHBondContact O-N 3.47Å; K26-A29 HydrophobicContact CB-CB 4.19Å; K26-A29 WeakPolarHBondContact O-CB 3.3Å; K26-A29 PolarHBondContact O-N 3.08Å; K26-F30 HydrophobicContact CB-CD1 3.9Å; K26-F30 HydrophobicContact CB-CD2 3.96Å; K26-F30 HydrophobicContact CB-CE1 3.84Å; K26-F30 HydrophobicContact CB-CE2 3.93Å; K26-F30 HydrophobicContact CB-CG 3.94Å; K26-F30 HydrophobicContact CB-CZ 3.85Å; K26-F30 HydrophobicContact CD-CD1 3.75Å; K26-F30 HydrophobicContact CD-CE1 3.64Å; K26-F30 HydrophobicContact CD-CZ 4.38Å; K26-F30 HydrophobicContact CG-CD1 3.92Å; K26-F30 HydrophobicContact CG-CE1 3.5Å; K26-F30 VanDerWaalsContact CG-CE1 3.5Å; K26-F30 HydrophobicContact CG-CE2 4.33Å; K26-F30 HydrophobicContact CG-CG 4.46Å; K26-F30 HydrophobicContact CG-CZ 3.72Å; K26-F30 VanDerWaalsContact N-CZ 3.28Å; K26-E34 IonicContact NZ-OE1 2.71Å; K26-E34 PolarHBondContact NZ-OE1 2.89Å; K26-E34 IonicContact NZ-OE2 3.16Å; K26-Q54 PolarHBondContact O-NE2 2.86Å; K26-Y549 HydrophobicContact CB-CD1 4.03Å; K26-Y549 HydrophobicContact CB-CE1 3.81Å; K26-Y549 HydrophobicContact CB-CE2 4.44Å; K26-Y549 HydrophobicContact CB-CG 4.42Å; K26-Y549 HydrophobicContact CD-CD1 3.93Å; K26-Y549 HydrophobicContact CD-CD2 4.46Å; K26-Y549 HydrophobicContact CD-CG 3.86Å; K26-Y549 HydrophobicContact CG-CD1 3.56Å; K26-Y549 HydrophobicContact CG-CE1 3.81Å; K26-Y549 HydrophobicContact CG-CG 4.01Å; K26-D550 WeakPolarHBondContact CE-O 3.4Å; K26-D550 PolarHBondContact NZ-O 3.47Å | ||
| 27 | D | 98.7 | Very high | 98.4 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | 47.8 | -127.6 | -170 | -57.3 | -56.5 | 0 | 0 | 0 | 111.3 | N25 A29 F30 L44 R81 N82 | N25-D27 PolarHBondContact ND2-OD1 2.71Å; N25-D27 PolarHBondContact OD1-N 3.08Å; D27-A29 PolarHBondContact O-N 3.02Å; D27-F30 WeakPolarHBondContact O-CD2 3.41Å; D27-F30 PolarHBondContact O-N 2.75Å; D27-L44 WeakPolarHBondContact O-CD1 3.48Å; D27-R81 IonicContact OD2-NE 3.86Å; D27-N82 WeakPolarHBondContact OD2-CB 3.13Å; D27-N82 PolarHBondContact OD2-ND2 3.44Å |
| 28 | L | 98.6 | Very high | 98.4 | Very high | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.063 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -74 | -3.8 | -179.1 | -59.8 | -179.7 | 0 | 0 | 0 | 114.3 | K26 F30 R35 L44 P45 F48 I49 | K26-L28 PolarHBondContact O-N 3.47Å; L28-F30 VanDerWaalsContact C-N 3.29Å; L28-R35 PolarHBondContact O-NH2 3.3Å; L28-R35 VanDerWaalsContact O-NH2 3.14Å; L28-L44 HydrophobicContact CD2-CB 4.31Å; L28-P45 HydrophobicContact CD2-CB 4.06Å; L28-P45 HydrophobicContact CD2-CG 4.11Å; L28-F48 WeakPolarHBondContact O-CA 3.48Å; L28-I49 HydrophobicContact CB-CD1 3.94Å; L28-I49 HydrophobicContact CB-CG1 3.6Å; L28-I49 HydrophobicContact CD1-CD1 4Å; L28-I49 HydrophobicContact CD1-CG1 4.42Å; L28-I49 PolarHBondContact O-N 2.9Å; L28-I49 VanDerWaalsContact O-N 3.13Å |
| 29 | A | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 45.3 Ų | 45.3 | 17% | 0.165 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -80.4 | -10.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K26 D27 T31 I49 Y549 | K26-A29 HydrophobicContact CB-CB 4.19Å; K26-A29 WeakPolarHBondContact O-CB 3.3Å; K26-A29 PolarHBondContact O-N 3.08Å; D27-A29 PolarHBondContact O-N 3.02Å; A29-T31 PolarHBondContact O-N 3.02Å; A29-I49 VanDerWaalsContact CA-O 3.3Å; A29-I49 WeakPolarHBondContact CA-O 3.39Å; A29-I49 WeakPolarHBondContact CB-O 3.45Å; A29-Y549 HydrophobicContact CB-CD2 3.99Å; A29-Y549 HydrophobicContact CB-CE2 3.41Å; A29-Y549 VanDerWaalsContact CB-CE2 3.41Å |
| 30 | F | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -58.9 | 125.9 | 166.7 | -76.7 | -59.6 | 0 | 0 | 0 | 110.4 | L18 L24 K26 D27 L28 E34 R35 L38 I40 L44 F48 I552 | L18-F30 HydrophobicContact CD2-CE1 4.25Å; L18-F30 HydrophobicContact CD2-CE2 4.02Å; L18-F30 HydrophobicContact CD2-CZ 3.47Å; L18-F30 VanDerWaalsContact CD2-CZ 3.47Å; L24-F30 VanDerWaalsContact O-CZ 3.31Å; L24-F30 WeakPolarHBondContact O-CZ 3.35Å; K26-F30 HydrophobicContact CB-CD1 3.9Å; K26-F30 HydrophobicContact CB-CD2 3.96Å; K26-F30 HydrophobicContact CB-CE1 3.84Å; K26-F30 HydrophobicContact CB-CE2 3.93Å; K26-F30 HydrophobicContact CB-CG 3.94Å; K26-F30 HydrophobicContact CB-CZ 3.85Å; K26-F30 HydrophobicContact CD-CD1 3.75Å; K26-F30 HydrophobicContact CD-CE1 3.64Å; K26-F30 HydrophobicContact CD-CZ 4.38Å; K26-F30 HydrophobicContact CG-CD1 3.92Å; K26-F30 HydrophobicContact CG-CE1 3.5Å; K26-F30 VanDerWaalsContact CG-CE1 3.5Å; K26-F30 HydrophobicContact CG-CE2 4.33Å; K26-F30 HydrophobicContact CG-CG 4.46Å; K26-F30 HydrophobicContact CG-CZ 3.72Å; K26-F30 VanDerWaalsContact N-CZ 3.28Å; D27-F30 WeakPolarHBondContact O-CD2 3.41Å; D27-F30 PolarHBondContact O-N 2.75Å; L28-F30 VanDerWaalsContact C-N 3.29Å; F30-E34 WeakPolarHBondContact CA-OE2 3.47Å; F30-E34 HydrophobicContact CB-CB 4.48Å; F30-E34 HydrophobicContact CD1-CB 4.06Å; F30-R35 HydrophobicContact CB-CG 3.73Å; F30-R35 PolarHBondContact O-NE 3.3Å; F30-R35 PolarHBondContact O-NH2 3.29Å; F30-R35 VanDerWaalsContact O-NH2 3.1Å; F30-L38 HydrophobicContact CD1-CD1 4.23Å; F30-L38 HydrophobicContact CE1-CD1 3.92Å; F30-I40 HydrophobicContact CB-CD1 4.37Å; F30-I40 HydrophobicContact CD1-CD1 4.31Å; F30-I40 HydrophobicContact CD2-CD1 3.53Å; F30-I40 HydrophobicContact CE2-CD1 3.77Å; F30-I40 HydrophobicContact CG-CD1 3.83Å; F30-I40 HydrophobicContact CZ-CD1 4.28Å; F30-L44 HydrophobicContact CD2-CD1 3.97Å; F30-F48 WeakPolarHBondContact O-CD1 3.37Å; F30-I552 HydrophobicContact CE1-CD1 3.81Å; F30-I552 HydrophobicContact CZ-CD1 4.34Å |
| 31 | T | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 42.8 Ų | 42.8 | 39% | 0.393 | 22% | 0.217 | S | C | . | . | trans | -67.4 | 166.7 | 174.7 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | A29 E33 E34 R35 | A29-T31 PolarHBondContact O-N 3.02Å; T31-E33 VanDerWaalsContact C-N 3.32Å; T31-E33 PolarHBondContact O-N 3.14Å; T31-E34 PolarHBondContact N-OE2 3.46Å; T31-E34 PolarHBondContact O-N 3.46Å; T31-E34 WeakPolarHBondContact OG1-CG 3.4Å; T31-E34 PolarHBondContact OG1-N 3.39Å; T31-E34 VanDerWaalsContact OG1-N 3.08Å; T31-R35 VanDerWaalsContact O-CG 3.25Å; T31-R35 WeakPolarHBondContact O-CG 3.44Å; T31-R35 PolarHBondContact O-N 3.4Å | ||
| 32 | L | 98.7 | Very high | 98.5 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 40% | 0.398 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.9 | -43.6 | 175.7 | 178.9 | 59.3 | 0 | 0 | 0 | 111.7 | R35 Q36 F48 | L32-R35 PolarHBondContact O-N 2.83Å; L32-Q36 HydrophobicContact CD1-CG 4.29Å; L32-Q36 WeakPolarHBondContact O-CG 2.83Å; L32-Q36 PolarHBondContact O-N 2.55Å; L32-F48 HydrophobicContact CB-CE1 3.85Å; L32-F48 HydrophobicContact CB-CZ 3.86Å; L32-F48 HydrophobicContact CD1-CZ 4.06Å; L32-F48 HydrophobicContact CG-CZ 4.47Å |
| 33 | E | 98.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 48 Ų | 48 | 58% | 0.575 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -58.5 | -50 | 176.2 | -180 | -177 | -163.5 | 0 | 0 | 111.1 | T31 R35 Q36 Q37 L553 | T31-E33 VanDerWaalsContact C-N 3.32Å; T31-E33 PolarHBondContact O-N 3.14Å; E33-R35 VanDerWaalsContact C-N 3.29Å; E33-R35 PolarHBondContact O-N 3Å; E33-Q36 PolarHBondContact O-N 3Å; E33-Q37 HydrophobicContact CG-CG 4.3Å; E33-Q37 WeakPolarHBondContact O-CB 3.41Å; E33-Q37 WeakPolarHBondContact O-CG 3.41Å; E33-Q37 PolarHBondContact O-N 3.01Å; E33-L553 HydrophobicContact CG-CD1 4.11Å |
| 34 | E | 98.4 | Very high | 98.6 | Very high | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.065 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 176.4 | -74.9 | -179.9 | 129.4 | 0 | 0 | 111 | K26 F30 T31 Q36 Q37 L38 L553 | K26-E34 IonicContact NZ-OE1 2.71Å; K26-E34 PolarHBondContact NZ-OE1 2.89Å; K26-E34 IonicContact NZ-OE2 3.16Å; F30-E34 WeakPolarHBondContact CA-OE2 3.47Å; F30-E34 HydrophobicContact CB-CB 4.48Å; F30-E34 HydrophobicContact CD1-CB 4.06Å; T31-E34 PolarHBondContact N-OE2 3.46Å; T31-E34 PolarHBondContact O-N 3.46Å; T31-E34 WeakPolarHBondContact OG1-CG 3.4Å; T31-E34 PolarHBondContact OG1-N 3.39Å; T31-E34 VanDerWaalsContact OG1-N 3.08Å; E34-Q36 VanDerWaalsContact C-N 3.32Å; E34-Q36 PolarHBondContact O-N 3.13Å; E34-Q37 PolarHBondContact O-N 2.88Å; E34-L38 HydrophobicContact CB-CD1 4.15Å; E34-L38 WeakPolarHBondContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CD1 3.49Å; E34-L38 WeakPolarHBondContact O-CG 3.14Å; E34-L38 PolarHBondContact O-N 3.41Å; E34-L553 HydrophobicContact CG-CD1 3.85Å; E34-L553 HydrophobicContact CG-CD2 4.45Å; E34-L553 HydrophobicContact CG-CG 4Å |
| 35 | R | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.011 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.6 | -39.3 | -179.3 | -69.2 | 178.4 | -158.1 | -164.9 | 5.3 | 112.8 | L28 F30 T31 L32 E33 N39 I40 H41 P45 S47 F48 | L28-R35 PolarHBondContact O-NH2 3.3Å; L28-R35 VanDerWaalsContact O-NH2 3.14Å; F30-R35 HydrophobicContact CB-CG 3.73Å; F30-R35 PolarHBondContact O-NE 3.3Å; F30-R35 PolarHBondContact O-NH2 3.29Å; F30-R35 VanDerWaalsContact O-NH2 3.1Å; T31-R35 VanDerWaalsContact O-CG 3.25Å; T31-R35 WeakPolarHBondContact O-CG 3.44Å; T31-R35 PolarHBondContact O-N 3.4Å; L32-R35 PolarHBondContact O-N 2.83Å; E33-R35 VanDerWaalsContact C-N 3.29Å; E33-R35 PolarHBondContact O-N 3Å; R35-N39 PolarHBondContact O-N 3.2Å; R35-I40 HydrophobicContact CB-CG1 3.94Å; R35-I40 HydrophobicContact CG-CD1 4.07Å; R35-I40 HydrophobicContact CG-CG1 3.96Å; R35-I40 PolarHBondContact O-N 2.88Å; R35-H41 HydrophobicContact CB-CB 4.12Å; R35-H41 PolarHBondContact O-N 3.11Å; R35-P45 PolarHBondContact NH1-O 2.99Å; R35-S47 PolarHBondContact NH2-O 2.92Å; R35-F48 VanDerWaalsContact CZ-CE1 3.43Å |
| 36 | Q | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 57.1 Ų | 57.1 | 49% | 0.486 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.6 | -51.1 | 178.2 | -71.5 | 170.5 | -22.5 | 0 | 0 | 110.9 | L32 E33 E34 L38 N39 H41 | L32-Q36 HydrophobicContact CD1-CG 4.29Å; L32-Q36 WeakPolarHBondContact O-CG 2.83Å; L32-Q36 PolarHBondContact O-N 2.55Å; E33-Q36 PolarHBondContact O-N 3Å; E34-Q36 VanDerWaalsContact C-N 3.32Å; E34-Q36 PolarHBondContact O-N 3.13Å; Q36-L38 VanDerWaalsContact C-N 3.31Å; Q36-L38 PolarHBondContact O-N 3.12Å; Q36-N39 PolarHBondContact O-N 3.01Å; Q36-H41 HydrophobicContact CG-CB 4.39Å |
| 37 | Q | 98.3 | Very high | 98.5 | Very high | 114 Ų | 114 | 58.7 Ų | 58.7 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.1 | -29.6 | -178.1 | -68.6 | -63.1 | -28.9 | 0 | 0 | 113.3 | E33 E34 L553 | E33-Q37 HydrophobicContact CG-CG 4.3Å; E33-Q37 WeakPolarHBondContact O-CB 3.41Å; E33-Q37 WeakPolarHBondContact O-CG 3.41Å; E33-Q37 PolarHBondContact O-N 3.01Å; E34-Q37 PolarHBondContact O-N 2.88Å; Q37-L553 HydrophobicContact CB-CD2 3.59Å; Q37-L553 HydrophobicContact CG-CD2 4.33Å |
| 38 | L | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 1.9 | 178.6 | -60 | 170.7 | 0 | 0 | 0 | 113.5 | G15 L18 F30 E34 Q36 I40 I552 L553 | G15-L38 PolarHBondContact N-O 2.87Å; L18-L38 HydrophobicContact CD1-CB 4.34Å; L18-L38 HydrophobicContact CD1-CD1 4.11Å; L18-L38 HydrophobicContact CD1-CD2 3.93Å; L18-L38 HydrophobicContact CD1-CG 4.35Å; L18-L38 HydrophobicContact CD2-CD1 4.46Å; F30-L38 HydrophobicContact CD1-CD1 4.23Å; F30-L38 HydrophobicContact CE1-CD1 3.92Å; E34-L38 HydrophobicContact CB-CD1 4.15Å; E34-L38 WeakPolarHBondContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CD1 3.49Å; E34-L38 WeakPolarHBondContact O-CG 3.14Å; E34-L38 PolarHBondContact O-N 3.41Å; Q36-L38 VanDerWaalsContact C-N 3.31Å; Q36-L38 PolarHBondContact O-N 3.12Å; L38-I40 HydrophobicContact CB-CD1 4.48Å; L38-I40 HydrophobicContact CB-CG1 4.28Å; L38-I40 PolarHBondContact O-N 2.92Å; L38-I552 HydrophobicContact CD1-CD1 3.68Å; L38-I552 HydrophobicContact CD1-CG1 3.98Å; L38-L553 HydrophobicContact CD2-CD2 4.1Å; L38-L553 HydrophobicContact CG-CD2 4.04Å |
| 39 | N | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 63.1 Ų | 63.1 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 38.3 | -179.1 | -45.5 | 103.3 | 0 | 0 | 0 | 114.1 | G15 R35 Q36 | G15-N39 WeakPolarHBondContact CA-O 3.48Å; R35-N39 PolarHBondContact O-N 3.2Å; Q36-N39 PolarHBondContact O-N 3.01Å |
| 40 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | trans | -117.9 | 0.3 | 178.2 | 62 | 172.9 | 0 | 0 | 0 | 113.2 | G15 L18 T19 F30 R35 L38 G42 L43 L44 | G15-I40 VanDerWaalsContact O-CG2 3.22Å; G15-I40 WeakPolarHBondContact O-CG2 3.4Å; L18-I40 HydrophobicContact CD2-CD1 4.48Å; T19-I40 HydrophobicContact CG2-CB 4.31Å; T19-I40 HydrophobicContact CG2-CG2 3.83Å; F30-I40 HydrophobicContact CB-CD1 4.37Å; F30-I40 HydrophobicContact CD1-CD1 4.31Å; F30-I40 HydrophobicContact CD2-CD1 3.53Å; F30-I40 HydrophobicContact CE2-CD1 3.77Å; F30-I40 HydrophobicContact CG-CD1 3.83Å; F30-I40 HydrophobicContact CZ-CD1 4.28Å; R35-I40 HydrophobicContact CB-CG1 3.94Å; R35-I40 HydrophobicContact CG-CD1 4.07Å; R35-I40 HydrophobicContact CG-CG1 3.96Å; R35-I40 PolarHBondContact O-N 2.88Å; L38-I40 HydrophobicContact CB-CD1 4.48Å; L38-I40 HydrophobicContact CB-CG1 4.28Å; L38-I40 PolarHBondContact O-N 2.92Å; I40-G42 PolarHBondContact O-N 3.35Å; I40-L43 HydrophobicContact CB-CD1 4.21Å; I40-L43 HydrophobicContact CG2-CD1 4.22Å; I40-L43 WeakPolarHBondContact O-CB 3.48Å; I40-L43 PolarHBondContact O-N 3.11Å; I40-L44 HydrophobicContact CD1-CD1 4.29Å | ||
| 41 | H | 98.6 | Very high | 98.5 | Very high | 119 Ų | 119 | 65.4 Ų | 65.4 | 55% | 0.551 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 131.4 | 172.9 | -172.9 | 72.6 | 0 | 0 | 0 | 110.3 | R35 Q36 | R35-H41 HydrophobicContact CB-CB 4.12Å; R35-H41 PolarHBondContact O-N 3.11Å; Q36-H41 HydrophobicContact CG-CB 4.39Å |
| 42 | G | 98.1 | Very high | 98.5 | Very high | 67 Ų | 67 | 67.6 Ų | 67.6 | 69% | 0.691 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -19.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I40 L44 | I40-G42 PolarHBondContact O-N 3.35Å; G42-L44 VanDerWaalsContact C-N 3.35Å |
| 43 | L | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 67.7 Ų | 67.7 | 49% | 0.492 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -15.9 | 175.3 | -58 | -177.1 | 0 | 0 | 0 | 113.4 | I40 | I40-L43 HydrophobicContact CB-CD1 4.21Å; I40-L43 HydrophobicContact CG2-CD1 4.22Å; I40-L43 WeakPolarHBondContact O-CB 3.48Å; I40-L43 PolarHBondContact O-N 3.11Å |
| 44 | L | 98.6 | Very high | 98.5 | Very high | 33 Ų | 33 | 62.2 Ų | 62.2 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -121.2 | 147.3 | -177.1 | -66.9 | 170.9 | 0 | 0 | 0 | 110.2 | D27 L28 F30 I40 G42 | D27-L44 WeakPolarHBondContact O-CD1 3.48Å; L28-L44 HydrophobicContact CD2-CB 4.31Å; F30-L44 HydrophobicContact CD2-CD1 3.97Å; I40-L44 HydrophobicContact CD1-CD1 4.29Å; G42-L44 VanDerWaalsContact C-N 3.35Å |
| 45 | P | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 62.5 Ų | 62.5 | 49% | 0.494 | 35% | 0.348 | S | S | . | . | trans | -48.6 | 147 | 171.4 | -28.9 | 32.8 | 0 | 0 | 0 | 113.1 | L28 R35 S47 | L28-P45 HydrophobicContact CD2-CB 4.06Å; L28-P45 HydrophobicContact CD2-CG 4.11Å; R35-P45 PolarHBondContact NH1-O 2.99Å; P45-S47 PolarHBondContact O-N 3.42Å | ||
| 46 | P | 98.1 | Very high | 98.5 | Very high | 128 Ų | 128 | 66.5 Ų | 66.5 | 83% | 0.831 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -77.4 | 48 | -176.8 | 34.7 | -38 | 0 | 0 | 0 | 112.4 | ||
| 47 | S | 98.3 | Very high | 98.5 | Very high | 45 Ų | 45 | 67.4 Ų | 67.4 | 32% | 0.315 | 37% | 0.368 | S | S | . | . | trans | -128.5 | 144.6 | 173.9 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | R35 P45 | R35-S47 PolarHBondContact NH2-O 2.92Å; P45-S47 PolarHBondContact O-N 3.42Å | ||
| 48 | F | 98.5 | Very high | 98.5 | Very high | 104 Ų | 104 | 62.5 Ų | 62.5 | 46% | 0.456 | 35% | 0.346 | S | S | . | . | trans | -124 | 120.4 | -179.5 | -51.4 | -86.5 | 0 | 0 | 0 | 107.1 | L28 F30 L32 R35 | L28-F48 WeakPolarHBondContact O-CA 3.48Å; F30-F48 WeakPolarHBondContact O-CD1 3.37Å; L32-F48 HydrophobicContact CB-CE1 3.85Å; L32-F48 HydrophobicContact CB-CZ 3.86Å; L32-F48 HydrophobicContact CD1-CZ 4.06Å; L32-F48 HydrophobicContact CG-CZ 4.47Å; R35-F48 VanDerWaalsContact CZ-CE1 3.43Å | ||
| 49 | I | 98.2 | Very high | 98.5 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 16% | 0.159 | 35% | 0.353 | C | S | . | . | trans | -133 | 145.9 | -173 | 60.7 | 171.6 | 0 | 0 | 0 | 110.7 | L28 A29 I53 Q54 | L28-I49 HydrophobicContact CB-CD1 3.94Å; L28-I49 HydrophobicContact CB-CG1 3.6Å; L28-I49 HydrophobicContact CD1-CD1 4Å; L28-I49 HydrophobicContact CD1-CG1 4.42Å; L28-I49 PolarHBondContact O-N 2.9Å; L28-I49 VanDerWaalsContact O-N 3.13Å; A29-I49 VanDerWaalsContact CA-O 3.3Å; A29-I49 WeakPolarHBondContact CA-O 3.39Å; A29-I49 WeakPolarHBondContact CB-O 3.45Å; I49-I53 HydrophobicContact CB-CB 4.01Å; I49-I53 HydrophobicContact CB-CG2 3.87Å; I49-I53 HydrophobicContact CD1-CB 4.48Å; I49-I53 HydrophobicContact CD1-CG2 3.98Å; I49-I53 HydrophobicContact CG1-CG2 4.48Å; I49-I53 HydrophobicContact CG2-CG2 4Å; I49-Q54 HydrophobicContact CD1-CG 3.54Å; I49-Q54 HydrophobicContact CG1-CG 3.83Å | ||
| 50 | S | 98.4 | Very high | 98.5 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 39% | 0.392 | 35% | 0.35 | S | S | . | . | trans | -68.9 | 165.3 | 175.5 | 81.3 | 0 | 0 | 0 | 0 | 111.4 | E52 I53 Q54 | S50-E52 WeakPolarHBondContact CB-OE2 3.35Å; S50-E52 PolarHBondContact O-N 2.89Å; S50-E52 PolarHBondContact OG-N 3.05Å; S50-E52 PolarHBondContact OG-OE2 2.84Å; S50-I53 PolarHBondContact O-N 3.15Å; S50-I53 PolarHBondContact OG-N 3.01Å; S50-Q54 PolarHBondContact O-N 3.41Å; S50-Q54 VanDerWaalsContact O-N 3.12Å | ||
| 51 | Q | 98.3 | Very high | 98.5 | Very high | 12 Ų | 12 | 67.8 Ų | 67.8 | 6% | 0.056 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.4 | -32.6 | 178 | -159.1 | -179.7 | 39.3 | 0 | 0 | 111.6 | Q54 V55 L85 K88 T547 Y549 | Q51-Q54 WeakPolarHBondContact O-CB 3.21Å; Q51-Q54 PolarHBondContact O-N 3.05Å; Q51-V55 WeakPolarHBondContact O-CG2 3.47Å; Q51-V55 PolarHBondContact O-N 3.04Å; Q51-L85 HydrophobicContact CG-CD1 4.24Å; Q51-K88 HydrophobicContact CG-CB 4.4Å; Q51-K88 HydrophobicContact CG-CG 4.03Å; Q51-K88 VanDerWaalsContact OE1-CD 3.29Å; Q51-K88 VanDerWaalsContact OE1-CE 3.31Å; Q51-T547 PolarHBondContact NE2-O 3.3Å; Q51-T547 PolarHBondContact OE1-O 3.45Å; Q51-Y549 HydrophobicContact CB-CD2 4.43Å; Q51-Y549 HydrophobicContact CB-CE2 3.96Å; Q51-Y549 HydrophobicContact CG-CD2 4.37Å; Q51-Y549 HydrophobicContact CG-CE2 3.7Å |
| 52 | E | 98.6 | Very high | 98.5 | Very high | 109 Ų | 109 | 62.6 Ų | 62.6 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.3 | -60.1 | 67.7 | -143.4 | 0 | 0 | 111.6 | S50 Q54 V55 L56 | S50-E52 WeakPolarHBondContact CB-OE2 3.35Å; S50-E52 PolarHBondContact O-N 2.89Å; S50-E52 PolarHBondContact OG-N 3.05Å; S50-E52 PolarHBondContact OG-OE2 2.84Å; E52-Q54 VanDerWaalsContact C-N 3.31Å; E52-V55 PolarHBondContact O-N 3.43Å; E52-L56 PolarHBondContact O-N 2.97Å |
| 53 | I | 98.6 | Very high | 98.5 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 41% | 0.405 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.6 | -33 | 175.2 | -60.2 | -60.9 | 0 | 0 | 0 | 111 | I49 S50 L56 R57 | I49-I53 HydrophobicContact CB-CB 4.01Å; I49-I53 HydrophobicContact CB-CG2 3.87Å; I49-I53 HydrophobicContact CD1-CB 4.48Å; I49-I53 HydrophobicContact CD1-CG2 3.98Å; I49-I53 HydrophobicContact CG1-CG2 4.48Å; I49-I53 HydrophobicContact CG2-CG2 4Å; S50-I53 PolarHBondContact O-N 3.15Å; S50-I53 PolarHBondContact OG-N 3.01Å; I53-L56 PolarHBondContact O-N 2.97Å; I53-R57 PolarHBondContact O-N 3.21Å; I53-R57 VanDerWaalsContact O-N 3.09Å |
| 54 | Q | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 69.4 Ų | 69.4 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 171.3 | -65 | 178.5 | -58.9 | 0 | 0 | 111.5 | K26 I49 S50 Q51 E52 R57 V58 L85 Y549 | K26-Q54 PolarHBondContact O-NE2 2.86Å; I49-Q54 HydrophobicContact CD1-CG 3.54Å; I49-Q54 HydrophobicContact CG1-CG 3.83Å; S50-Q54 PolarHBondContact O-N 3.41Å; S50-Q54 VanDerWaalsContact O-N 3.12Å; Q51-Q54 WeakPolarHBondContact O-CB 3.21Å; Q51-Q54 PolarHBondContact O-N 3.05Å; E52-Q54 VanDerWaalsContact C-N 3.31Å; Q54-R57 WeakPolarHBondContact O-CB 3.42Å; Q54-R57 PolarHBondContact O-N 2.85Å; Q54-V58 WeakPolarHBondContact O-CG2 3.42Å; Q54-V58 PolarHBondContact O-N 3.19Å; Q54-L85 HydrophobicContact CB-CD1 3.55Å; Q54-L85 HydrophobicContact CB-CD2 3.73Å; Q54-L85 HydrophobicContact CB-CG 4.3Å; Q54-L85 HydrophobicContact CG-CD2 4.46Å; Q54-Y549 PolarHBondContact NE2-OH 3.4Å; Q54-Y549 PolarHBondContact OE1-OH 3.08Å |
| 55 | V | 98.8 | Very high | 98.5 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 12% | 0.121 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -57.9 | -49.4 | 174.3 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | Q51 E52 R57 V58 V59 L85 K88 V89 | Q51-V55 WeakPolarHBondContact O-CG2 3.47Å; Q51-V55 PolarHBondContact O-N 3.04Å; E52-V55 PolarHBondContact O-N 3.43Å; V55-R57 VanDerWaalsContact C-N 3.25Å; V55-R57 PolarHBondContact O-N 2.98Å; V55-V58 PolarHBondContact O-N 3.28Å; V55-V59 HydrophobicContact CG1-CG2 4.05Å; V55-V59 WeakPolarHBondContact O-CG2 3.42Å; V55-V59 PolarHBondContact O-N 3.35Å; V55-L85 HydrophobicContact CG2-CD1 3.84Å; V55-K88 HydrophobicContact CG2-CB 4.26Å; V55-K88 HydrophobicContact CG2-CG 3.71Å; V55-V89 HydrophobicContact CB-CG2 4.4Å; V55-V89 HydrophobicContact CG1-CG2 4.32Å; V55-V89 HydrophobicContact CG2-CG2 3.99Å |
| 56 | L | 98.6 | Very high | 98.4 | Very high | 88 Ų | 88 | 74.2 Ų | 74.2 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -53.1 | -43.6 | 176.7 | 175.8 | 63.5 | 0 | 0 | 0 | 112 | E52 I53 K60 | E52-L56 PolarHBondContact O-N 2.97Å; I53-L56 PolarHBondContact O-N 2.97Å; L56-K60 HydrophobicContact CD1-CD 4.47Å; L56-K60 HydrophobicContact CD1-CG 4.31Å; L56-K60 WeakPolarHBondContact O-CB 3.41Å; L56-K60 WeakPolarHBondContact O-CG 3.27Å; L56-K60 PolarHBondContact O-N 3.43Å |
| 57 | R | 98.7 | Very high | 98.4 | Very high | 123 Ų | 123 | 70 Ų | 70 | 46% | 0.464 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 177.6 | -174.7 | -179.1 | -64 | 169.3 | 0.4 | 111.6 | I53 Q54 V55 N61 | I53-R57 PolarHBondContact O-N 3.21Å; I53-R57 VanDerWaalsContact O-N 3.09Å; Q54-R57 WeakPolarHBondContact O-CB 3.42Å; Q54-R57 PolarHBondContact O-N 2.85Å; V55-R57 VanDerWaalsContact C-N 3.25Å; V55-R57 PolarHBondContact O-N 2.98Å; R57-N61 PolarHBondContact O-N 2.86Å; R57-N61 PolarHBondContact O-ND2 3.03Å |
| 58 | V | 98.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 71.5 Ų | 71.5 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 178 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | Q54 V55 K60 N61 F62 L78 L85 V89 | Q54-V58 WeakPolarHBondContact O-CG2 3.42Å; Q54-V58 PolarHBondContact O-N 3.19Å; V55-V58 PolarHBondContact O-N 3.28Å; V58-K60 PolarHBondContact O-N 2.99Å; V58-N61 WeakPolarHBondContact O-CB 3.48Å; V58-N61 PolarHBondContact O-N 3.39Å; V58-F62 PolarHBondContact O-N 3.03Å; V58-L78 HydrophobicContact CG1-CD2 3.82Å; V58-L78 HydrophobicContact CG2-CD1 4.33Å; V58-L78 HydrophobicContact CG2-CD2 3.97Å; V58-L85 HydrophobicContact CG2-CD2 4.21Å; V58-V89 HydrophobicContact CB-CG2 3.98Å; V58-V89 HydrophobicContact CG1-CG1 4.11Å; V58-V89 HydrophobicContact CG1-CG2 3.92Å; V58-V89 HydrophobicContact CG2-CG2 4.29Å |
| 59 | V | 98.7 | Very high | 98.3 | Very high | 25 Ų | 25 | 68.2 Ų | 68.2 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | -178.5 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | V55 N61 F62 E63 F97 | V55-V59 HydrophobicContact CG1-CG2 4.05Å; V55-V59 WeakPolarHBondContact O-CG2 3.42Å; V55-V59 PolarHBondContact O-N 3.35Å; V59-N61 VanDerWaalsContact C-N 3.26Å; V59-N61 PolarHBondContact O-N 3.03Å; V59-F62 WeakPolarHBondContact O-CB 3.48Å; V59-F62 PolarHBondContact O-N 2.67Å; V59-F62 VanDerWaalsContact O-N 3.15Å; V59-E63 HydrophobicContact CG1-CG 4.27Å; V59-E63 WeakPolarHBondContact CG1-OE1 3.45Å; V59-E63 WeakPolarHBondContact O-CG 3.43Å; V59-E63 PolarHBondContact O-N 2.67Å; V59-F97 HydrophobicContact CG2-CZ 4.09Å |
| 60 | K | 98.6 | Very high | 98.3 | Very high | 125 Ų | 125 | 70 Ų | 70 | 54% | 0.543 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -33.4 | 173.7 | -79.4 | -168.6 | 175.1 | -170.6 | 0 | 113.4 | L56 V58 R64 | L56-K60 HydrophobicContact CD1-CD 4.47Å; L56-K60 HydrophobicContact CD1-CG 4.31Å; L56-K60 WeakPolarHBondContact O-CB 3.41Å; L56-K60 WeakPolarHBondContact O-CG 3.27Å; L56-K60 PolarHBondContact O-N 3.43Å; V58-K60 PolarHBondContact O-N 2.99Å; K60-R64 WeakPolarHBondContact O-CD 3.34Å; K60-R64 WeakPolarHBondContact O-CG 3.38Å |
| 61 | N | 98.7 | Very high | 98.3 | Very high | 73 Ų | 73 | 69.9 Ų | 69.9 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -73.5 | -43 | 174.2 | -77 | -80.1 | 0 | 0 | 0 | 110.7 | R57 V58 V59 E63 R64 L65 L74 | R57-N61 PolarHBondContact O-N 2.86Å; R57-N61 PolarHBondContact O-ND2 3.03Å; V58-N61 WeakPolarHBondContact O-CB 3.48Å; V58-N61 PolarHBondContact O-N 3.39Å; V59-N61 VanDerWaalsContact C-N 3.26Å; V59-N61 PolarHBondContact O-N 3.03Å; N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 PolarHBondContact O-N 2.93Å; N61-R64 PolarHBondContact O-N 3.41Å; N61-L65 WeakPolarHBondContact O-CG 3.44Å; N61-L65 PolarHBondContact O-N 2.89Å; N61-L74 HydrophobicContact CB-CD1 4.48Å; N61-L74 HydrophobicContact CB-CD2 4.15Å |
| 62 | F | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 69.9 Ų | 69.9 | 4% | 0.044 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.3 | -44.3 | 177.3 | 179.4 | -81.7 | 0 | 0 | 0 | 112.7 | V58 V59 R64 L65 R71 L74 L75 K96 F97 I100 | V58-F62 PolarHBondContact O-N 3.03Å; V59-F62 WeakPolarHBondContact O-CB 3.48Å; V59-F62 PolarHBondContact O-N 2.67Å; V59-F62 VanDerWaalsContact O-N 3.15Å; F62-R64 VanDerWaalsContact C-N 3.3Å; F62-R64 PolarHBondContact O-N 3.2Å; F62-L65 PolarHBondContact O-N 2.62Å; F62-R71 HydrophobicContact CD1-CG 4.43Å; F62-R71 HydrophobicContact CD2-CB 3.84Å; F62-R71 HydrophobicContact CD2-CG 3.83Å; F62-R71 HydrophobicContact CE1-CG 4.37Å; F62-R71 HydrophobicContact CE2-CB 3.57Å; F62-R71 HydrophobicContact CE2-CG 3.79Å; F62-R71 HydrophobicContact CG-CG 4.18Å; F62-R71 HydrophobicContact CZ-CB 4.17Å; F62-R71 HydrophobicContact CZ-CG 4.07Å; F62-R71 PolarHBondContact O-NE 2.82Å; F62-L74 HydrophobicContact CB-CD2 3.87Å; F62-L75 HydrophobicContact CD2-CD1 4.47Å; F62-L75 HydrophobicContact CD2-CG 4.48Å; F62-L75 HydrophobicContact CE2-CD1 4.12Å; F62-K96 HydrophobicContact CE1-CG 4.43Å; F62-F97 HydrophobicContact CD1-CE1 4.22Å; F62-F97 HydrophobicContact CD2-CD1 4.27Å; F62-F97 AromaticContact CD2-CE1 3.88Å; F62-F97 HydrophobicContact CD2-CE1 3.88Å; F62-F97 HydrophobicContact CE1-CE1 4.13Å; F62-F97 AromaticContact CE2-CD1 3.75Å; F62-F97 HydrophobicContact CE2-CD1 3.75Å; F62-F97 AromaticContact CE2-CE1 3.75Å; F62-F97 HydrophobicContact CE2-CE1 3.75Å; F62-F97 HydrophobicContact CG-CE1 4.1Å; F62-F97 AromaticContact CZ-CD1 3.95Å; F62-F97 HydrophobicContact CZ-CD1 3.95Å; F62-F97 AromaticContact CZ-CE1 3.87Å; F62-F97 HydrophobicContact CZ-CE1 3.87Å; F62-I100 HydrophobicContact CE2-CG1 4.03Å; F62-I100 HydrophobicContact CE2-CG2 4.36Å; F62-I100 HydrophobicContact CZ-CD1 4.41Å; F62-I100 HydrophobicContact CZ-CG1 3.88Å |
| 63 | E | 98 | Very high | 98.3 | Very high | 110 Ų | 110 | 65.8 Ų | 65.8 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.1 | -22.7 | -178.8 | -70.7 | 173.2 | 170.7 | 0 | 0 | 113.5 | V59 N61 L65 K96 | V59-E63 HydrophobicContact CG1-CG 4.27Å; V59-E63 WeakPolarHBondContact CG1-OE1 3.45Å; V59-E63 WeakPolarHBondContact O-CG 3.43Å; V59-E63 PolarHBondContact O-N 2.67Å; N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 PolarHBondContact O-N 2.93Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-K96 IonicContact OE1-NZ 3.86Å; E63-K96 PolarHBondContact OE1-NZ 3.46Å |
| 64 | R | 97.9 | Very high | 98.3 | Very high | 193 Ų | 193 | 63.9 Ų | 63.9 | 73% | 0.728 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -78.6 | -19.6 | 175.9 | -73.9 | 174.4 | 67.3 | -177.7 | 2.3 | 113.3 | K60 N61 F62 | K60-R64 WeakPolarHBondContact O-CD 3.34Å; K60-R64 WeakPolarHBondContact O-CG 3.38Å; N61-R64 PolarHBondContact O-N 3.41Å; F62-R64 VanDerWaalsContact C-N 3.3Å; F62-R64 PolarHBondContact O-N 3.2Å |
| 65 | L | 98.3 | Very high | 98.2 | Very high | 52 Ų | 52 | 63.6 Ų | 63.6 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | trans | -74.2 | 147.3 | 179.4 | -63.1 | 173.4 | 0 | 0 | 0 | 110.6 | N61 F62 E63 D70 R71 L74 | N61-L65 WeakPolarHBondContact O-CG 3.44Å; N61-L65 PolarHBondContact O-N 2.89Å; F62-L65 PolarHBondContact O-N 2.62Å; E63-L65 VanDerWaalsContact C-N 3.35Å; L65-D70 HydrophobicContact CB-CB 4.2Å; L65-D70 HydrophobicContact CD1-CB 4.06Å; L65-D70 HydrophobicContact CD2-CB 4.11Å; L65-D70 HydrophobicContact CG-CB 4.34Å; L65-R71 HydrophobicContact CB-CG 3.91Å; L65-R71 HydrophobicContact CD1-CB 4.46Å; L65-R71 HydrophobicContact CD1-CG 3.94Å; L65-R71 PolarHBondContact O-NH2 2.82Å; L65-L74 HydrophobicContact CD1-CB 3.9Å; L65-L74 HydrophobicContact CD1-CD2 3.8Å; L65-L74 HydrophobicContact CD1-CG 4.43Å | ||
| 66 | N | 97.6 | Very high | 98.2 | Very high | 158 Ų | 158 | 63.7 Ų | 63.7 | 85% | 0.845 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -99.9 | -9.6 | -172.4 | -59.9 | 101.9 | 0 | 0 | 0 | 113.9 | ||
| 67 | S | 97.9 | Very high | 98.2 | Very high | 41 Ų | 41 | 62 Ų | 62 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -133.6 | 151.5 | 178.3 | 80.8 | 0 | 0 | 0 | 0 | 111.9 | F69 D70 R71 | S67-F69 PolarHBondContact O-N 3.4Å; S67-D70 PolarHBondContact O-N 3.44Å; S67-D70 PolarHBondContact OG-N 2.94Å; S67-D70 PolarHBondContact OG-OD2 3.28Å; S67-R71 WeakPolarHBondContact O-CG 3.45Å; S67-R71 PolarHBondContact O-N 3.15Å |
| 68 | D | 96.8 | Very high | 98.2 | Very high | 75 Ų | 75 | 56.2 Ų | 56.2 | 40% | 0.401 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.6 | -27 | 173.8 | -71.5 | -20.5 | 0 | 0 | 0 | 112.4 | R71 Y72 I100 T105 | D68-R71 WeakPolarHBondContact O-CB 3.47Å; D68-R71 PolarHBondContact O-N 3.49Å; D68-R71 IonicContact OD1-CZ 3.25Å; D68-R71 IonicContact OD1-NH1 3.91Å; D68-R71 PolarHBondContact OD1-NH1 2.91Å; D68-Y72 PolarHBondContact O-N 3.2Å; D68-I100 HydrophobicContact CB-CD1 3.77Å; D68-I100 WeakPolarHBondContact OD1-CD1 3.36Å; D68-T105 HydrophobicContact CB-CG2 4.13Å; D68-T105 WeakPolarHBondContact O-CG2 3.49Å |
| 69 | F | 97.2 | Very high | 98.2 | Very high | 36 Ų | 36 | 55.9 Ų | 55.9 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 174.6 | -175.7 | -120.2 | 0 | 0 | 0 | 112 | S67 R71 Y72 L73 L108 A109 Q112 V116 | S67-F69 PolarHBondContact O-N 3.4Å; F69-R71 VanDerWaalsContact C-N 3.27Å; F69-R71 PolarHBondContact O-N 2.82Å; F69-Y72 WeakPolarHBondContact O-CB 3.35Å; F69-Y72 PolarHBondContact O-N 3.17Å; F69-Y72 VanDerWaalsContact O-N 3.17Å; F69-L73 HydrophobicContact CD1-CD1 4.35Å; F69-L73 HydrophobicContact CE1-CD1 4Å; F69-L73 HydrophobicContact CZ-CD1 4.27Å; F69-L73 HydrophobicContact CZ-CD2 4.39Å; F69-L73 HydrophobicContact CZ-CG 4.45Å; F69-L73 WeakPolarHBondContact O-CG 3.47Å; F69-L73 PolarHBondContact O-N 2.68Å; F69-L108 HydrophobicContact CB-CD2 4.11Å; F69-L108 HydrophobicContact CD2-CG 4.44Å; F69-A109 HydrophobicContact CD2-CB 4.34Å; F69-A109 HydrophobicContact CE2-CB 3.97Å; F69-Q112 HydrophobicContact CE2-CB 4.18Å; F69-Q112 HydrophobicContact CZ-CB 3.74Å; F69-Q112 HydrophobicContact CZ-CG 4.27Å; F69-V116 HydrophobicContact CE1-CG1 3.84Å; F69-V116 HydrophobicContact CE2-CG2 4.43Å; F69-V116 HydrophobicContact CZ-CB 4.24Å; F69-V116 HydrophobicContact CZ-CG1 3.52Å; F69-V116 HydrophobicContact CZ-CG2 3.89Å |
| 70 | D | 98.1 | Very high | 98.1 | Very high | 69 Ų | 69 | 55.7 Ų | 55.7 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 174.1 | -63.6 | -47.2 | 0 | 0 | 0 | 111.3 | L65 S67 Y72 L73 L74 | L65-D70 HydrophobicContact CB-CB 4.2Å; L65-D70 HydrophobicContact CD1-CB 4.06Å; L65-D70 HydrophobicContact CD2-CB 4.11Å; L65-D70 HydrophobicContact CG-CB 4.34Å; S67-D70 PolarHBondContact O-N 3.44Å; S67-D70 PolarHBondContact OG-N 2.94Å; S67-D70 PolarHBondContact OG-OD2 3.28Å; D70-Y72 VanDerWaalsContact C-N 3.33Å; D70-L73 PolarHBondContact O-N 3.21Å; D70-L74 PolarHBondContact O-N 3.25Å |
| 71 | R | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 54 Ų | 54 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175 | -70.4 | 168.6 | -175 | 137.9 | 3.9 | 111.5 | F62 L65 S67 D68 F69 L74 L75 I100 | F62-R71 HydrophobicContact CD1-CG 4.43Å; F62-R71 HydrophobicContact CD2-CB 3.84Å; F62-R71 HydrophobicContact CD2-CG 3.83Å; F62-R71 HydrophobicContact CE1-CG 4.37Å; F62-R71 HydrophobicContact CE2-CB 3.57Å; F62-R71 HydrophobicContact CE2-CG 3.79Å; F62-R71 HydrophobicContact CG-CG 4.18Å; F62-R71 HydrophobicContact CZ-CB 4.17Å; F62-R71 HydrophobicContact CZ-CG 4.07Å; F62-R71 PolarHBondContact O-NE 2.82Å; L65-R71 HydrophobicContact CB-CG 3.91Å; L65-R71 HydrophobicContact CD1-CB 4.46Å; L65-R71 HydrophobicContact CD1-CG 3.94Å; L65-R71 PolarHBondContact O-NH2 2.82Å; S67-R71 WeakPolarHBondContact O-CG 3.45Å; S67-R71 PolarHBondContact O-N 3.15Å; D68-R71 WeakPolarHBondContact O-CB 3.47Å; D68-R71 PolarHBondContact O-N 3.49Å; D68-R71 IonicContact OD1-CZ 3.25Å; D68-R71 IonicContact OD1-NH1 3.91Å; D68-R71 PolarHBondContact OD1-NH1 2.91Å; F69-R71 VanDerWaalsContact C-N 3.27Å; F69-R71 PolarHBondContact O-N 2.82Å; R71-L74 PolarHBondContact O-N 2.81Å; R71-L75 WeakPolarHBondContact O-CG 3.12Å; R71-L75 PolarHBondContact O-N 2.77Å; R71-L75 VanDerWaalsContact O-N 3.07Å; R71-I100 HydrophobicContact CB-CG2 3.93Å |
| 72 | Y | 98.3 | Very high | 98.1 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -50.4 | 171.9 | 169.7 | -90.9 | 0 | 0 | 0 | 111 | D68 F69 D70 L74 L75 M76 I100 T105 V106 A109 | D68-Y72 PolarHBondContact O-N 3.2Å; F69-Y72 WeakPolarHBondContact O-CB 3.35Å; F69-Y72 PolarHBondContact O-N 3.17Å; F69-Y72 VanDerWaalsContact O-N 3.17Å; D70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-L74 VanDerWaalsContact C-N 3.32Å; Y72-L74 PolarHBondContact O-N 2.93Å; Y72-L75 PolarHBondContact O-N 3.45Å; Y72-L75 VanDerWaalsContact O-N 3.09Å; Y72-M76 HydrophobicContact CD1-CG 4.07Å; Y72-M76 HydrophobicContact CD2-CE 4.47Å; Y72-M76 HydrophobicContact CD2-CG 4.25Å; Y72-M76 HydrophobicContact CE1-CG 3.61Å; Y72-M76 HydrophobicContact CE2-CE 4.16Å; Y72-M76 HydrophobicContact CE2-CG 3.85Å; Y72-M76 HydrophobicContact CE2-SD 3.91Å; Y72-M76 HydrophobicContact CG-CG 4.37Å; Y72-M76 WeakPolarHBondContact O-CG 3.42Å; Y72-M76 PolarHBondContact O-N 3.2Å; Y72-I100 VanDerWaalsContact CD2-O 3.32Å; Y72-I100 WeakPolarHBondContact CD2-O 3.4Å; Y72-T105 HydrophobicContact CG-CG2 4.45Å; Y72-V106 HydrophobicContact CE2-CG2 4.36Å; Y72-A109 HydrophobicContact CD1-CB 3.64Å; Y72-A109 HydrophobicContact CD2-CB 4.36Å; Y72-A109 HydrophobicContact CE1-CB 3.32Å; Y72-A109 HydrophobicContact CE2-CB 4.07Å; Y72-A109 HydrophobicContact CG-CB 4.15Å |
| 73 | L | 98 | Very high | 98.1 | Very high | 24 Ų | 24 | 50.2 Ų | 50.2 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59 | -42.3 | 178.6 | -64.3 | 177.2 | 0 | 0 | 0 | 112 | F69 D70 L75 M76 D77 V116 | F69-L73 HydrophobicContact CD1-CD1 4.35Å; F69-L73 HydrophobicContact CE1-CD1 4Å; F69-L73 HydrophobicContact CZ-CD1 4.27Å; F69-L73 HydrophobicContact CZ-CD2 4.39Å; F69-L73 HydrophobicContact CZ-CG 4.45Å; F69-L73 WeakPolarHBondContact O-CG 3.47Å; F69-L73 PolarHBondContact O-N 2.68Å; D70-L73 PolarHBondContact O-N 3.21Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L73-L75 PolarHBondContact O-N 3.16Å; L73-M76 PolarHBondContact O-N 3.22Å; L73-D77 WeakPolarHBondContact O-CB 3.38Å; L73-D77 PolarHBondContact O-N 2.85Å; L73-V116 HydrophobicContact CD1-CG1 4.47Å; L73-V116 HydrophobicContact CD2-CB 4.08Å; L73-V116 HydrophobicContact CD2-CG2 4.01Å |
| 74 | L | 98.6 | Very high | 98.2 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 20% | 0.204 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.6 | -44.2 | 174.5 | 173.8 | 69.5 | 0 | 0 | 0 | 112.2 | N61 F62 L65 D70 R71 Y72 L78 | N61-L74 HydrophobicContact CB-CD1 4.48Å; N61-L74 HydrophobicContact CB-CD2 4.15Å; F62-L74 HydrophobicContact CB-CD2 3.87Å; L65-L74 HydrophobicContact CD1-CB 3.9Å; L65-L74 HydrophobicContact CD1-CD2 3.8Å; L65-L74 HydrophobicContact CD1-CG 4.43Å; D70-L74 PolarHBondContact O-N 3.25Å; R71-L74 PolarHBondContact O-N 2.81Å; Y72-L74 VanDerWaalsContact C-N 3.32Å; Y72-L74 PolarHBondContact O-N 2.93Å; L74-L78 WeakPolarHBondContact O-CB 3.31Å; L74-L78 PolarHBondContact O-N 2.86Å; L74-L78 VanDerWaalsContact O-N 3.07Å |
| 75 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.5 | -36.3 | -178.8 | -69.6 | -178.1 | 0 | 0 | 0 | 112 | F62 R71 Y72 L73 L78 Q79 F86 V89 F97 I100 V101 | F62-L75 HydrophobicContact CD2-CD1 4.47Å; F62-L75 HydrophobicContact CD2-CG 4.48Å; F62-L75 HydrophobicContact CE2-CD1 4.12Å; R71-L75 WeakPolarHBondContact O-CG 3.12Å; R71-L75 PolarHBondContact O-N 2.77Å; R71-L75 VanDerWaalsContact O-N 3.07Å; Y72-L75 PolarHBondContact O-N 3.45Å; Y72-L75 VanDerWaalsContact O-N 3.09Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L73-L75 PolarHBondContact O-N 3.16Å; L75-L78 HydrophobicContact CD2-CD2 4.46Å; L75-L78 WeakPolarHBondContact O-CB 3.17Å; L75-L78 PolarHBondContact O-N 3.11Å; L75-Q79 PolarHBondContact O-N 3.21Å; L75-F86 HydrophobicContact CB-CE2 4.18Å; L75-F86 VanDerWaalsContact O-CD2 3.27Å; L75-F86 WeakPolarHBondContact O-CD2 3.41Å; L75-F86 WeakPolarHBondContact O-CE2 3.44Å; L75-V89 HydrophobicContact CD2-CG1 4.2Å; L75-F97 HydrophobicContact CD1-CD1 4.16Å; L75-I100 HydrophobicContact CD1-CB 4.19Å; L75-I100 HydrophobicContact CD1-CG2 3.82Å; L75-V101 HydrophobicContact CB-CG1 4.2Å; L75-V101 HydrophobicContact CD1-CG1 3.59Å |
| 76 | M | 98.1 | Very high | 98.2 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 11% | 0.108 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 173.2 | -64.7 | -57.5 | 97 | 0 | 0 | 111.4 | Y72 L73 L78 Q79 D80 F86 V101 V171 | Y72-M76 HydrophobicContact CD1-CG 4.07Å; Y72-M76 HydrophobicContact CD2-CE 4.47Å; Y72-M76 HydrophobicContact CD2-CG 4.25Å; Y72-M76 HydrophobicContact CE1-CG 3.61Å; Y72-M76 HydrophobicContact CE2-CE 4.16Å; Y72-M76 HydrophobicContact CE2-CG 3.85Å; Y72-M76 HydrophobicContact CE2-SD 3.91Å; Y72-M76 HydrophobicContact CG-CG 4.37Å; Y72-M76 WeakPolarHBondContact O-CG 3.42Å; Y72-M76 PolarHBondContact O-N 3.2Å; L73-M76 PolarHBondContact O-N 3.22Å; M76-L78 PolarHBondContact O-N 2.74Å; M76-Q79 WeakPolarHBondContact O-CB 3.47Å; M76-Q79 PolarHBondContact O-N 3.34Å; M76-Q79 VanDerWaalsContact O-N 3.12Å; M76-D80 PolarHBondContact O-N 3.33Å; M76-F86 HydrophobicContact CE-CE2 4.1Å; M76-F86 HydrophobicContact CE-CZ 4.2Å; M76-V101 HydrophobicContact CE-CB 4.44Å; M76-V101 HydrophobicContact CE-CG1 4.16Å; M76-V171 HydrophobicContact SD-CG1 4.37Å |
| 77 | D | 98.3 | Very high | 98.3 | Very high | 53 Ų | 53 | 26.8 Ų | 26.8 | 28% | 0.283 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.8 | -31.5 | 174.2 | -77.4 | -24.3 | 0 | 0 | 0 | 112.1 | L73 R81 R118 | L73-D77 WeakPolarHBondContact O-CB 3.38Å; L73-D77 PolarHBondContact O-N 2.85Å; D77-R81 WeakPolarHBondContact O-CB 3.47Å; D77-R81 PolarHBondContact O-N 3.44Å; D77-R81 PolarHBondContact O-NH1 3.28Å; D77-R118 IonicContact OD1-NH1 3.59Å; D77-R118 IonicContact OD2-NH1 3.01Å; D77-R118 PolarHBondContact OD2-NH1 2.9Å |
| 78 | L | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.9 | -43.8 | 173.8 | 174.4 | 63.1 | 0 | 0 | 0 | 111.7 | V58 L74 L75 M76 D80 R81 N82 L85 F86 V89 | V58-L78 HydrophobicContact CG1-CD2 3.82Å; V58-L78 HydrophobicContact CG2-CD1 4.33Å; V58-L78 HydrophobicContact CG2-CD2 3.97Å; L74-L78 WeakPolarHBondContact O-CB 3.31Å; L74-L78 PolarHBondContact O-N 2.86Å; L74-L78 VanDerWaalsContact O-N 3.07Å; L75-L78 HydrophobicContact CD2-CD2 4.46Å; L75-L78 WeakPolarHBondContact O-CB 3.17Å; L75-L78 PolarHBondContact O-N 3.11Å; M76-L78 PolarHBondContact O-N 2.74Å; L78-D80 PolarHBondContact O-N 2.79Å; L78-R81 PolarHBondContact O-N 2.92Å; L78-N82 HydrophobicContact CD1-CB 4.46Å; L78-N82 PolarHBondContact O-N 3.48Å; L78-L85 HydrophobicContact CD1-CB 4.23Å; L78-L85 HydrophobicContact CD1-CD2 3.74Å; L78-L85 HydrophobicContact CD1-CG 3.9Å; L78-F86 HydrophobicContact CD2-CB 4.34Å; L78-F86 HydrophobicContact CD2-CD2 4.47Å; L78-F86 HydrophobicContact CG-CB 3.98Å; L78-F86 HydrophobicContact CG-CD2 4.4Å; L78-V89 HydrophobicContact CD2-CB 4.39Å; L78-V89 HydrophobicContact CD2-CG2 4.06Å |
| 79 | Q | 98.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 1% | 0.014 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.6 | -43 | 175.6 | -167.7 | -179.7 | 35.5 | 0 | 0 | 111.2 | P22 L75 M76 R81 F86 R121 | P22-Q79 WeakPolarHBondContact CB-O 3.48Å; L75-Q79 PolarHBondContact O-N 3.21Å; M76-Q79 WeakPolarHBondContact O-CB 3.47Å; M76-Q79 PolarHBondContact O-N 3.34Å; M76-Q79 VanDerWaalsContact O-N 3.12Å; Q79-R81 PolarHBondContact O-N 3.44Å; Q79-F86 HydrophobicContact CB-CB 4.37Å; Q79-F86 HydrophobicContact CB-CD1 4.09Å; Q79-F86 HydrophobicContact CB-CD2 3.71Å; Q79-F86 HydrophobicContact CB-CE1 4.28Å; Q79-F86 HydrophobicContact CB-CE2 3.92Å; Q79-F86 HydrophobicContact CB-CG 3.79Å; Q79-F86 HydrophobicContact CB-CZ 4.2Å; Q79-F86 HydrophobicContact CG-CD1 3.81Å; Q79-F86 HydrophobicContact CG-CD2 4.35Å; Q79-F86 HydrophobicContact CG-CE1 3.91Å; Q79-F86 HydrophobicContact CG-CE2 4.44Å; Q79-F86 HydrophobicContact CG-CG 4.04Å; Q79-F86 HydrophobicContact CG-CZ 4.23Å; Q79-R121 VanDerWaalsContact CD-NH2 3.27Å; Q79-R121 VanDerWaalsContact NE2-NH2 3.15Å |
| 80 | D | 97.6 | Very high | 98.5 | Very high | 22 Ų | 22 | 21.8 Ų | 21.8 | 12% | 0.118 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 5.2 | 179.5 | -71.3 | -19.2 | 0 | 0 | 0 | 115 | M76 L78 K119 R121 | M76-D80 PolarHBondContact O-N 3.33Å; L78-D80 PolarHBondContact O-N 2.79Å; D80-K119 HydrophobicContact CB-CD 3.54Å; D80-K119 PolarHBondContact O-NZ 3.03Å; D80-K119 VanDerWaalsContact OD2-CB 3.27Å; D80-K119 WeakPolarHBondContact OD2-CB 3.42Å; D80-K119 WeakPolarHBondContact OD2-CD 3.32Å; D80-R121 WeakPolarHBondContact OD1-CD 3.36Å; D80-R121 IonicContact OD1-CZ 2.64Å; D80-R121 IonicContact OD1-NE 3.2Å; D80-R121 IonicContact OD1-NH1 3.31Å |
| 81 | R | 98.5 | Very high | 98.5 | Very high | 90 Ų | 90 | 20.6 Ų | 20.6 | 34% | 0.34 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -45.7 | 177.9 | -179 | 178.3 | 65.2 | -110.6 | 4.3 | 111.8 | N25 D27 D77 L78 Q79 | N25-R81 WeakPolarHBondContact CB-O 3.22Å; N25-R81 PolarHBondContact ND2-O 2.98Å; D27-R81 IonicContact OD2-NE 3.86Å; D77-R81 WeakPolarHBondContact O-CB 3.47Å; D77-R81 PolarHBondContact O-N 3.44Å; D77-R81 PolarHBondContact O-NH1 3.28Å; L78-R81 PolarHBondContact O-N 2.92Å; Q79-R81 PolarHBondContact O-N 3.44Å |
| 82 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -153.7 | 96.6 | -172.8 | -176.6 | -25.2 | 0 | 0 | 0 | 109.4 | N25 D27 L78 L85 F86 Y549 | N25-N82 VanDerWaalsContact O-CG 3.3Å; N25-N82 PolarHBondContact O-OD1 3.39Å; D27-N82 WeakPolarHBondContact OD2-CB 3.13Å; D27-N82 PolarHBondContact OD2-ND2 3.44Å; L78-N82 HydrophobicContact CD1-CB 4.46Å; L78-N82 PolarHBondContact O-N 3.48Å; N82-L85 HydrophobicContact CB-CB 4.03Å; N82-L85 PolarHBondContact O-N 2.94Å; N82-L85 VanDerWaalsContact OD1-CB 3.29Å; N82-L85 WeakPolarHBondContact OD1-CB 3.33Å; N82-L85 PolarHBondContact OD1-N 2.93Å; N82-F86 PolarHBondContact O-N 3.04Å; N82-Y549 PolarHBondContact ND2-OH 2.91Å; N82-Y549 PolarHBondContact OD1-OH 3.22Å | ||
| 83 | E | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.7 | -41.1 | -172 | -176.9 | 173.7 | -105.6 | 0 | 0 | 112.3 | P22 H23 F86 Y87 P185 | P22-E83 VanDerWaalsContact O-CB 3.31Å; P22-E83 WeakPolarHBondContact O-CB 3.32Å; P22-E83 PolarHBondContact O-N 3.42Å; H23-E83 IonicContact CE1-OE1 2.69Å; H23-E83 PolarHBondContact CE1-OE1 3.45Å; H23-E83 IonicContact CE1-OE2 2.96Å; H23-E83 IonicContact CG-OE2 3.2Å; H23-E83 IonicContact ND1-OE1 2.63Å; H23-E83 PolarHBondContact ND1-OE1 2.87Å; H23-E83 IonicContact ND1-OE2 3.03Å; H23-E83 PolarHBondContact ND1-OE2 3.33Å; E83-F86 WeakPolarHBondContact O-CB 3.37Å; E83-F86 PolarHBondContact O-N 2.96Å; E83-Y87 HydrophobicContact CG-CD2 3.86Å; E83-Y87 HydrophobicContact CG-CE2 3.61Å; E83-Y87 WeakPolarHBondContact O-CD2 3.48Å; E83-Y87 PolarHBondContact O-N 3.03Å; E83-Y87 VanDerWaalsContact O-N 3.09Å; E83-P185 HydrophobicContact CG-CB 4.46Å; E83-P185 HydrophobicContact CG-CG 3.97Å; E83-P185 WeakPolarHBondContact OE1-CB 3.49Å; E83-P185 WeakPolarHBondContact OE2-CG 3.2Å |
| 84 | K | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 6% | 0.057 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 177.1 | -73.9 | -85.1 | -179.8 | 163.4 | 0 | 111 | Y87 K88 Y545 S546 T547 D548 Y549 D550 | K84-Y87 PolarHBondContact O-N 3.33Å; K84-K88 WeakPolarHBondContact O-CB 3.46Å; K84-K88 PolarHBondContact O-N 3.07Å; K84-Y545 HydrophobicContact CD-CE2 4.45Å; K84-Y545 WeakPolarHBondContact CD-OH 3.44Å; K84-Y545 WeakPolarHBondContact CE-OH 3.38Å; K84-Y545 WeakPolarHBondContact CG-OH 3.45Å; K84-S546 PolarHBondContact NZ-O 3.41Å; K84-T547 WeakPolarHBondContact CD-O 3.45Å; K84-D548 VanDerWaalsContact CD-O 3.26Å; K84-D548 WeakPolarHBondContact CD-O 3.49Å; K84-D548 WeakPolarHBondContact CE-O 3.39Å; K84-D548 PolarHBondContact NZ-O 3.19Å; K84-Y549 HydrophobicContact CB-CD1 3.65Å; K84-Y549 HydrophobicContact CB-CE1 3.55Å; K84-Y549 HydrophobicContact CG-CD1 3.98Å; K84-Y549 HydrophobicContact CG-CE1 4.32Å; K84-D550 WeakPolarHBondContact CE-OD2 3.25Å; K84-D550 VanDerWaalsContact NZ-CG 3.28Å; K84-D550 IonicContact NZ-OD1 3.76Å; K84-D550 PolarHBondContact NZ-OD1 3.22Å; K84-D550 IonicContact NZ-OD2 3.81Å; K84-D550 PolarHBondContact NZ-OD2 3.33Å |
| 85 | L | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 177.1 | -177.9 | 60 | 0 | 0 | 0 | 112.4 | Q51 Q54 V55 V58 L78 N82 Y87 K88 V89 | Q51-L85 HydrophobicContact CG-CD1 4.24Å; Q54-L85 HydrophobicContact CB-CD1 3.55Å; Q54-L85 HydrophobicContact CB-CD2 3.73Å; Q54-L85 HydrophobicContact CB-CG 4.3Å; Q54-L85 HydrophobicContact CG-CD2 4.46Å; V55-L85 HydrophobicContact CG2-CD1 3.84Å; V58-L85 HydrophobicContact CG2-CD2 4.21Å; L78-L85 HydrophobicContact CD1-CB 4.23Å; L78-L85 HydrophobicContact CD1-CD2 3.74Å; L78-L85 HydrophobicContact CD1-CG 3.9Å; N82-L85 HydrophobicContact CB-CB 4.03Å; N82-L85 PolarHBondContact O-N 2.94Å; N82-L85 VanDerWaalsContact OD1-CB 3.29Å; N82-L85 WeakPolarHBondContact OD1-CB 3.33Å; N82-L85 PolarHBondContact OD1-N 2.93Å; L85-Y87 PolarHBondContact O-N 2.88Å; L85-K88 PolarHBondContact O-N 3.26Å; L85-V89 HydrophobicContact CD1-CG2 4.27Å; L85-V89 WeakPolarHBondContact O-CG2 3.44Å; L85-V89 PolarHBondContact O-N 3.14Å |
| 86 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.1 | -55.1 | 173.4 | 172.1 | -104.9 | 0 | 0 | 0 | 111.1 | L75 M76 L78 Q79 N82 E83 K88 V89 L90 V101 A175 | L75-F86 HydrophobicContact CB-CE2 4.18Å; L75-F86 VanDerWaalsContact O-CD2 3.27Å; L75-F86 WeakPolarHBondContact O-CD2 3.41Å; L75-F86 WeakPolarHBondContact O-CE2 3.44Å; M76-F86 HydrophobicContact CE-CE2 4.1Å; M76-F86 HydrophobicContact CE-CZ 4.2Å; L78-F86 HydrophobicContact CD2-CB 4.34Å; L78-F86 HydrophobicContact CD2-CD2 4.47Å; L78-F86 HydrophobicContact CG-CB 3.98Å; L78-F86 HydrophobicContact CG-CD2 4.4Å; Q79-F86 HydrophobicContact CB-CB 4.37Å; Q79-F86 HydrophobicContact CB-CD1 4.09Å; Q79-F86 HydrophobicContact CB-CD2 3.71Å; Q79-F86 HydrophobicContact CB-CE1 4.28Å; Q79-F86 HydrophobicContact CB-CE2 3.92Å; Q79-F86 HydrophobicContact CB-CG 3.79Å; Q79-F86 HydrophobicContact CB-CZ 4.2Å; Q79-F86 HydrophobicContact CG-CD1 3.81Å; Q79-F86 HydrophobicContact CG-CD2 4.35Å; Q79-F86 HydrophobicContact CG-CE1 3.91Å; Q79-F86 HydrophobicContact CG-CE2 4.44Å; Q79-F86 HydrophobicContact CG-CG 4.04Å; Q79-F86 HydrophobicContact CG-CZ 4.23Å; N82-F86 PolarHBondContact O-N 3.04Å; E83-F86 WeakPolarHBondContact O-CB 3.37Å; E83-F86 PolarHBondContact O-N 2.96Å; F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.17Å; F86-V89 PolarHBondContact O-N 2.84Å; F86-L90 HydrophobicContact CD1-CD2 4.45Å; F86-L90 HydrophobicContact CD2-CD1 3.83Å; F86-L90 HydrophobicContact CE1-CD1 4.25Å; F86-L90 HydrophobicContact CE1-CD2 3.69Å; F86-L90 HydrophobicContact CE2-CD1 3.53Å; F86-L90 HydrophobicContact CE2-CD2 4.23Å; F86-L90 HydrophobicContact CG-CD1 4.32Å; F86-L90 HydrophobicContact CZ-CD1 3.77Å; F86-L90 HydrophobicContact CZ-CD2 3.56Å; F86-L90 HydrophobicContact CZ-CG 4.34Å; F86-L90 VanDerWaalsContact O-CD1 3.29Å; F86-L90 WeakPolarHBondContact O-CD1 3.17Å; F86-L90 PolarHBondContact O-N 3.1Å; F86-V101 HydrophobicContact CE2-CG1 4.31Å; F86-V101 HydrophobicContact CZ-CG1 4.29Å; F86-A175 HydrophobicContact CE1-CB 4.16Å; F86-A175 HydrophobicContact CZ-CB 4.23Å |
| 87 | Y | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.4 | -30.4 | -180 | -69.7 | -63 | 0 | 0 | 0 | 113.1 | E83 K84 L85 V89 L90 T91 A175 T178 A179 P185 Y545 | E83-Y87 HydrophobicContact CG-CD2 3.86Å; E83-Y87 HydrophobicContact CG-CE2 3.61Å; E83-Y87 WeakPolarHBondContact O-CD2 3.48Å; E83-Y87 PolarHBondContact O-N 3.03Å; E83-Y87 VanDerWaalsContact O-N 3.09Å; K84-Y87 PolarHBondContact O-N 3.33Å; L85-Y87 PolarHBondContact O-N 2.88Å; Y87-V89 VanDerWaalsContact C-N 3.34Å; Y87-L90 HydrophobicContact CD1-CD2 4.39Å; Y87-L90 PolarHBondContact O-N 3.33Å; Y87-T91 WeakPolarHBondContact O-CB 3.14Å; Y87-T91 WeakPolarHBondContact O-CG2 3.09Å; Y87-T91 PolarHBondContact O-N 2.86Å; Y87-T91 PolarHBondContact O-OG1 2.66Å; Y87-A175 HydrophobicContact CE1-CB 4.46Å; Y87-A175 WeakPolarHBondContact CE1-O 3.33Å; Y87-T178 HydrophobicContact CD1-CG2 3.55Å; Y87-T178 HydrophobicContact CD2-CG2 3.74Å; Y87-T178 HydrophobicContact CE1-CG2 3.44Å; Y87-T178 VanDerWaalsContact CE1-CG2 3.44Å; Y87-T178 HydrophobicContact CE2-CG2 3.63Å; Y87-T178 HydrophobicContact CG-CG2 3.7Å; Y87-T178 VanDerWaalsContact CZ-CG2 3.47Å; Y87-A179 HydrophobicContact CD1-CB 4.23Å; Y87-P185 HydrophobicContact CD2-CG 4.39Å; Y87-P185 HydrophobicContact CE2-CB 3.7Å; Y87-P185 HydrophobicContact CE2-CG 3.74Å; Y87-Y545 AromaticContact CD2-CE1 3.83Å; Y87-Y545 HydrophobicContact CD2-CE1 3.83Å; Y87-Y545 HydrophobicContact CG-CE1 4.15Å |
| 88 | K | 98.8 | Very high | 97.7 | Very high | 44 Ų | 44 | 27.2 Ų | 27.2 | 19% | 0.191 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 171.6 | -168.9 | 73.2 | 166.4 | -159.4 | 0 | 111.5 | Q51 V55 K84 L85 F86 T91 S92 T547 D548 | Q51-K88 HydrophobicContact CG-CB 4.4Å; Q51-K88 HydrophobicContact CG-CG 4.03Å; Q51-K88 VanDerWaalsContact OE1-CD 3.29Å; Q51-K88 VanDerWaalsContact OE1-CE 3.31Å; V55-K88 HydrophobicContact CG2-CB 4.26Å; V55-K88 HydrophobicContact CG2-CG 3.71Å; K84-K88 WeakPolarHBondContact O-CB 3.46Å; K84-K88 PolarHBondContact O-N 3.07Å; L85-K88 PolarHBondContact O-N 3.26Å; F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.17Å; K88-T91 PolarHBondContact O-OG1 3.34Å; K88-S92 WeakPolarHBondContact O-CB 3.34Å; K88-S92 PolarHBondContact O-N 2.98Å; K88-T547 WeakPolarHBondContact CD-OG1 3.45Å; K88-D548 IonicContact NZ-OD1 3.63Å; K88-D548 PolarHBondContact NZ-OD1 3.24Å |
| 89 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64 | -52.3 | 175.2 | 171 | 0 | 0 | 0 | 0 | 110 | V55 V58 L75 L78 L85 F86 Y87 T91 S92 F97 | V55-V89 HydrophobicContact CB-CG2 4.4Å; V55-V89 HydrophobicContact CG1-CG2 4.32Å; V55-V89 HydrophobicContact CG2-CG2 3.99Å; V58-V89 HydrophobicContact CB-CG2 3.98Å; V58-V89 HydrophobicContact CG1-CG1 4.11Å; V58-V89 HydrophobicContact CG1-CG2 3.92Å; V58-V89 HydrophobicContact CG2-CG2 4.29Å; L75-V89 HydrophobicContact CD2-CG1 4.2Å; L78-V89 HydrophobicContact CD2-CB 4.39Å; L78-V89 HydrophobicContact CD2-CG2 4.06Å; L85-V89 HydrophobicContact CD1-CG2 4.27Å; L85-V89 WeakPolarHBondContact O-CG2 3.44Å; L85-V89 PolarHBondContact O-N 3.14Å; F86-V89 PolarHBondContact O-N 2.84Å; Y87-V89 VanDerWaalsContact C-N 3.34Å; V89-T91 VanDerWaalsContact C-N 3.3Å; V89-T91 PolarHBondContact O-N 2.77Å; V89-S92 WeakPolarHBondContact O-CB 3.48Å; V89-S92 PolarHBondContact O-N 3.47Å; V89-S92 VanDerWaalsContact O-N 3.09Å; V89-S92 PolarHBondContact O-OG 3.48Å; V89-F97 HydrophobicContact CG1-CD1 4.41Å; V89-F97 HydrophobicContact CG1-CD2 4.21Å; V89-F97 HydrophobicContact CG1-CE1 4.08Å; V89-F97 HydrophobicContact CG1-CE2 3.88Å; V89-F97 HydrophobicContact CG1-CG 4.49Å; V89-F97 HydrophobicContact CG1-CZ 3.82Å; V89-F97 WeakPolarHBondContact O-CD2 3.18Å; V89-F97 WeakPolarHBondContact O-CE2 3.19Å |
| 90 | L | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.8 | -43.2 | 179.5 | -91.5 | 62.9 | 0 | 0 | 0 | 112.4 | F86 Y87 S92 D93 V94 F97 V101 A179 | F86-L90 HydrophobicContact CD1-CD2 4.45Å; F86-L90 HydrophobicContact CD2-CD1 3.83Å; F86-L90 HydrophobicContact CE1-CD1 4.25Å; F86-L90 HydrophobicContact CE1-CD2 3.69Å; F86-L90 HydrophobicContact CE2-CD1 3.53Å; F86-L90 HydrophobicContact CE2-CD2 4.23Å; F86-L90 HydrophobicContact CG-CD1 4.32Å; F86-L90 HydrophobicContact CZ-CD1 3.77Å; F86-L90 HydrophobicContact CZ-CD2 3.56Å; F86-L90 HydrophobicContact CZ-CG 4.34Å; F86-L90 VanDerWaalsContact O-CD1 3.29Å; F86-L90 WeakPolarHBondContact O-CD1 3.17Å; F86-L90 PolarHBondContact O-N 3.1Å; Y87-L90 HydrophobicContact CD1-CD2 4.39Å; Y87-L90 PolarHBondContact O-N 3.33Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-D93 CarbonylContact O-C 3.55Å; L90-V94 VanDerWaalsContact O-CA 3.31Å; L90-V94 WeakPolarHBondContact O-CA 3.33Å; L90-V94 PolarHBondContact O-N 2.71Å; L90-F97 HydrophobicContact CG-CB 4.27Å; L90-V101 HydrophobicContact CD1-CG1 4.13Å; L90-V101 HydrophobicContact CD2-CG1 4.24Å; L90-V101 HydrophobicContact CD2-CG2 4.01Å; L90-V101 HydrophobicContact CG-CG1 4.34Å; L90-A179 HydrophobicContact CB-CB 4.23Å; L90-A179 HydrophobicContact CD2-CB 4.05Å |
| 91 | T | 98.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 27.8 Ų | 27.8 | 28% | 0.276 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -79.7 | -12.6 | -178.7 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | Y87 K88 V89 D93 A179 T547 | Y87-T91 WeakPolarHBondContact O-CB 3.14Å; Y87-T91 WeakPolarHBondContact O-CG2 3.09Å; Y87-T91 PolarHBondContact O-N 2.86Å; Y87-T91 PolarHBondContact O-OG1 2.66Å; K88-T91 PolarHBondContact O-OG1 3.34Å; V89-T91 VanDerWaalsContact C-N 3.3Å; V89-T91 PolarHBondContact O-N 2.77Å; T91-D93 VanDerWaalsContact C-N 3.33Å; T91-A179 HydrophobicContact CG2-CB 4.4Å; T91-T547 HydrophobicContact CG2-CG2 4.47Å |
| 92 | S | 97.9 | Very high | 97.1 | Very high | 69 Ų | 69 | 24.1 Ų | 24.1 | 48% | 0.483 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -70.6 | -30.1 | 174.6 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | K88 V89 L90 | K88-S92 WeakPolarHBondContact O-CB 3.34Å; K88-S92 PolarHBondContact O-N 2.98Å; V89-S92 WeakPolarHBondContact O-CB 3.48Å; V89-S92 PolarHBondContact O-N 3.47Å; V89-S92 VanDerWaalsContact O-N 3.09Å; V89-S92 PolarHBondContact O-OG 3.48Å; L90-S92 VanDerWaalsContact C-N 3.32Å |
| 93 | D | 97.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 25.8 Ų | 25.8 | 37% | 0.374 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -155.9 | 81.8 | 174.6 | -171 | -17 | 0 | 0 | 0 | 109.7 | L90 T91 E95 K96 F97 | L90-D93 CarbonylContact O-C 3.55Å; T91-D93 VanDerWaalsContact C-N 3.33Å; D93-E95 PolarHBondContact O-N 2.73Å; D93-E95 PolarHBondContact OD1-N 2.9Å; D93-K96 HydrophobicContact CB-CB 4.01Å; D93-K96 PolarHBondContact O-N 3.48Å; D93-K96 WeakPolarHBondContact OD1-CB 3.39Å; D93-K96 PolarHBondContact OD1-N 3.16Å; D93-K96 VanDerWaalsContact OD1-N 3.08Å; D93-K96 WeakPolarHBondContact OD2-CB 3.41Å; D93-F97 HydrophobicContact CB-CD2 4.14Å; D93-F97 HydrophobicContact CB-CE2 3.9Å; D93-F97 WeakPolarHBondContact O-CD2 3.43Å; D93-F97 PolarHBondContact O-N 3.07Å |
| 94 | V | 95 | Very high | 96 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 10% | 0.097 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -32.4 | -174.9 | 67.5 | 0 | 0 | 0 | 0 | 112.3 | L90 M98 L503 I506 | L90-V94 VanDerWaalsContact O-CA 3.31Å; L90-V94 WeakPolarHBondContact O-CA 3.33Å; L90-V94 PolarHBondContact O-N 2.71Å; V94-M98 HydrophobicContact CG2-CB 4.24Å; V94-M98 WeakPolarHBondContact O-CB 3.41Å; V94-M98 PolarHBondContact O-N 3.38Å; V94-L503 HydrophobicContact CG1-CB 4.49Å; V94-L503 VanDerWaalsContact CG1-O 3.31Å; V94-L503 WeakPolarHBondContact CG1-O 3.37Å; V94-I506 HydrophobicContact CG1-CG2 4.34Å; V94-I506 HydrophobicContact CG2-CG2 4.23Å |
| 95 | E | 92.4 | Very high | 95.8 | Very high | 108 Ų | 108 | 28 Ų | 28 | 51% | 0.505 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -68.2 | -37.1 | 179.6 | -171.4 | 166.6 | -176.1 | 0 | 0 | 111.3 | D93 P99 L503 | D93-E95 PolarHBondContact O-N 2.73Å; D93-E95 PolarHBondContact OD1-N 2.9Å; E95-P99 WeakPolarHBondContact O-CD 3.27Å; E95-P99 WeakPolarHBondContact O-CG 3.43Å; E95-L503 HydrophobicContact CB-CB 4.46Å; E95-L503 HydrophobicContact CG-CD1 4.17Å |
| 96 | K | 95.2 | Very high | 95.6 | Very high | 72 Ų | 72 | 27.9 Ų | 27.9 | 31% | 0.313 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -73.3 | -40.7 | 174.9 | -174.4 | 175.2 | -177.5 | 174.9 | 0 | 113.5 | F62 E63 D93 | F62-K96 HydrophobicContact CE1-CG 4.43Å; E63-K96 IonicContact OE1-NZ 3.86Å; E63-K96 PolarHBondContact OE1-NZ 3.46Å; D93-K96 HydrophobicContact CB-CB 4.01Å; D93-K96 PolarHBondContact O-N 3.48Å; D93-K96 WeakPolarHBondContact OD1-CB 3.39Å; D93-K96 PolarHBondContact OD1-N 3.16Å; D93-K96 VanDerWaalsContact OD1-N 3.08Å; D93-K96 WeakPolarHBondContact OD2-CB 3.41Å |
| 97 | F | 97.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -94.8 | -28 | -170.9 | -61.8 | -60.6 | 0 | 0 | 0 | 114.7 | V59 F62 L75 V89 L90 D93 I100 V101 | V59-F97 HydrophobicContact CG2-CZ 4.09Å; F62-F97 HydrophobicContact CD1-CE1 4.22Å; F62-F97 HydrophobicContact CD2-CD1 4.27Å; F62-F97 AromaticContact CD2-CE1 3.88Å; F62-F97 HydrophobicContact CD2-CE1 3.88Å; F62-F97 HydrophobicContact CE1-CE1 4.13Å; F62-F97 AromaticContact CE2-CD1 3.75Å; F62-F97 HydrophobicContact CE2-CD1 3.75Å; F62-F97 AromaticContact CE2-CE1 3.75Å; F62-F97 HydrophobicContact CE2-CE1 3.75Å; F62-F97 HydrophobicContact CG-CE1 4.1Å; F62-F97 AromaticContact CZ-CD1 3.95Å; F62-F97 HydrophobicContact CZ-CD1 3.95Å; F62-F97 AromaticContact CZ-CE1 3.87Å; F62-F97 HydrophobicContact CZ-CE1 3.87Å; L75-F97 HydrophobicContact CD1-CD1 4.16Å; V89-F97 HydrophobicContact CG1-CD1 4.41Å; V89-F97 HydrophobicContact CG1-CD2 4.21Å; V89-F97 HydrophobicContact CG1-CE1 4.08Å; V89-F97 HydrophobicContact CG1-CE2 3.88Å; V89-F97 HydrophobicContact CG1-CG 4.49Å; V89-F97 HydrophobicContact CG1-CZ 3.82Å; V89-F97 WeakPolarHBondContact O-CD2 3.18Å; V89-F97 WeakPolarHBondContact O-CE2 3.19Å; L90-F97 HydrophobicContact CG-CB 4.27Å; D93-F97 HydrophobicContact CB-CD2 4.14Å; D93-F97 HydrophobicContact CB-CE2 3.9Å; D93-F97 WeakPolarHBondContact O-CD2 3.43Å; D93-F97 PolarHBondContact O-N 3.07Å; F97-I100 WeakPolarHBondContact O-CB 3.33Å; F97-I100 PolarHBondContact O-N 3.48Å; F97-I100 VanDerWaalsContact O-N 3.08Å; F97-V101 PolarHBondContact O-N 3.45Å; F97-V101 VanDerWaalsContact O-N 3.12Å |
| 98 | M | 95.1 | Very high | 95 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57 | -44.4 | 179.5 | -179.5 | -177.1 | 77.5 | 0 | 0 | 112.8 | V94 I100 V101 Y102 L176 L503 | V94-M98 HydrophobicContact CG2-CB 4.24Å; V94-M98 WeakPolarHBondContact O-CB 3.41Å; V94-M98 PolarHBondContact O-N 3.38Å; M98-I100 PolarHBondContact O-N 2.85Å; M98-I100 VanDerWaalsContact O-N 3.16Å; M98-V101 PolarHBondContact O-N 3.24Å; M98-Y102 PolarHBondContact O-N 2.96Å; M98-L176 HydrophobicContact CB-CD2 4.44Å; M98-L176 HydrophobicContact CG-CD1 4Å; M98-L176 HydrophobicContact CG-CD2 3.85Å; M98-L176 HydrophobicContact SD-CD1 4.41Å; M98-L503 HydrophobicContact CE-CD1 3.72Å; M98-L503 HydrophobicContact CE-CD2 3.75Å; M98-L503 HydrophobicContact CE-CG 4.41Å; M98-L503 HydrophobicContact SD-CD2 4.3Å |
| 99 | P | 93.8 | Very high | 94.8 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 20% | 0.195 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -19.5 | 178.4 | -21.6 | 34.5 | 0 | 0 | 0 | 114.2 | E95 T103 P104 T105 | E95-P99 WeakPolarHBondContact O-CD 3.27Å; E95-P99 WeakPolarHBondContact O-CG 3.43Å; P99-T103 WeakPolarHBondContact CA-O 3.34Å; P99-P104 WeakPolarHBondContact O-CD 3.34Å; P99-T105 WeakPolarHBondContact O-CB 3.04Å; P99-T105 PolarHBondContact O-N 3.28Å; P99-T105 PolarHBondContact O-OG1 3.02Å; P99-T105 VanDerWaalsContact O-OG1 3.12Å |
| 100 | I | 97.2 | Very high | 94.7 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.036 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -84.8 | -48.3 | 178.4 | -53.6 | -60.2 | 0 | 0 | 0 | 111 | F62 D68 R71 Y72 L75 F97 M98 Y102 T105 | F62-I100 HydrophobicContact CE2-CG1 4.03Å; F62-I100 HydrophobicContact CE2-CG2 4.36Å; F62-I100 HydrophobicContact CZ-CD1 4.41Å; F62-I100 HydrophobicContact CZ-CG1 3.88Å; D68-I100 HydrophobicContact CB-CD1 3.77Å; D68-I100 WeakPolarHBondContact OD1-CD1 3.36Å; R71-I100 HydrophobicContact CB-CG2 3.93Å; Y72-I100 VanDerWaalsContact CD2-O 3.32Å; Y72-I100 WeakPolarHBondContact CD2-O 3.4Å; L75-I100 HydrophobicContact CD1-CB 4.19Å; L75-I100 HydrophobicContact CD1-CG2 3.82Å; F97-I100 WeakPolarHBondContact O-CB 3.33Å; F97-I100 PolarHBondContact O-N 3.48Å; F97-I100 VanDerWaalsContact O-N 3.08Å; M98-I100 PolarHBondContact O-N 2.85Å; M98-I100 VanDerWaalsContact O-N 3.16Å; I100-Y102 VanDerWaalsContact C-N 3.35Å; I100-T105 WeakPolarHBondContact O-CB 3.47Å |
| 101 | V | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -81.5 | -15.3 | -176.2 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | L75 M76 F86 L90 F97 M98 G172 L176 | L75-V101 HydrophobicContact CB-CG1 4.2Å; L75-V101 HydrophobicContact CD1-CG1 3.59Å; M76-V101 HydrophobicContact CE-CB 4.44Å; M76-V101 HydrophobicContact CE-CG1 4.16Å; F86-V101 HydrophobicContact CE2-CG1 4.31Å; F86-V101 HydrophobicContact CZ-CG1 4.29Å; L90-V101 HydrophobicContact CD1-CG1 4.13Å; L90-V101 HydrophobicContact CD2-CG1 4.24Å; L90-V101 HydrophobicContact CD2-CG2 4.01Å; L90-V101 HydrophobicContact CG-CG1 4.34Å; F97-V101 PolarHBondContact O-N 3.45Å; F97-V101 VanDerWaalsContact O-N 3.12Å; M98-V101 PolarHBondContact O-N 3.24Å; V101-G172 WeakPolarHBondContact O-CA 3.46Å; V101-L176 HydrophobicContact CG2-CD2 4.12Å |
| 102 | Y | 93.4 | Very high | 94.5 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -135.6 | -144.9 | 176.1 | -163.6 | -123.5 | 0 | 0 | 0 | 109.9 | M98 I100 P104 T105 V106 I169 K173 L176 E245 | M98-Y102 PolarHBondContact O-N 2.96Å; I100-Y102 VanDerWaalsContact C-N 3.35Å; Y102-P104 CarbonylContact O-C 3.46Å; Y102-T105 PolarHBondContact O-N 3.41Å; Y102-T105 VanDerWaalsContact O-N 3.09Å; Y102-V106 HydrophobicContact CD2-CG1 3.98Å; Y102-V106 HydrophobicContact CE2-CG1 4.49Å; Y102-V106 HydrophobicContact CG-CG1 4.47Å; Y102-V106 WeakPolarHBondContact O-CB 3.36Å; Y102-V106 WeakPolarHBondContact O-CG1 3.29Å; Y102-V106 PolarHBondContact O-N 3.13Å; Y102-I169 HydrophobicContact CE2-CG2 4.35Å; Y102-K173 HydrophobicContact CE2-CB 3.97Å; Y102-K173 HydrophobicContact CE2-CG 4.36Å; Y102-K173 PolarHBondContact OH-NZ 2.91Å; Y102-L176 HydrophobicContact CD1-CD1 3.53Å; Y102-L176 HydrophobicContact CE1-CD1 4.33Å; Y102-L176 HydrophobicContact CG-CD1 3.68Å; Y102-L176 HydrophobicContact CG-CG 4.5Å; Y102-E245 PolarHBondContact OH-OE1 3.34Å |
| 103 | T | 85.5 | Confident | 94.5 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 21% | 0.209 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 133 | -176.7 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | P99 | P99-T103 WeakPolarHBondContact CA-O 3.34Š|
| 104 | P | 89.8 | Confident | 94.4 | Very high | 53 Ų | 53 | 30.6 Ų | 30.6 | 34% | 0.344 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -93.4 | -19.3 | 8.1 | 34.7 | -34.7 | 0 | 0 | 0 | 115.1 | P99 Y102 V106 G107 P409 | P99-P104 WeakPolarHBondContact O-CD 3.34Å; Y102-P104 CarbonylContact O-C 3.46Å; P104-V106 VanDerWaalsContact C-N 3.31Å; P104-V106 PolarHBondContact O-N 3.13Å; P104-G107 PolarHBondContact O-N 2.6Å; P104-G107 VanDerWaalsContact O-N 3.09Å; P104-P409 HydrophobicContact CB-CB 4.02Å |
| 105 | T | 94.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 35 Ų | 35 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -31.5 | -166.9 | -60.1 | 0 | 0 | 0 | 0 | 113.7 | D68 Y72 P99 I100 Y102 G107 L108 A109 | D68-T105 HydrophobicContact CB-CG2 4.13Å; D68-T105 WeakPolarHBondContact O-CG2 3.49Å; Y72-T105 HydrophobicContact CG-CG2 4.45Å; P99-T105 WeakPolarHBondContact O-CB 3.04Å; P99-T105 PolarHBondContact O-N 3.28Å; P99-T105 PolarHBondContact O-OG1 3.02Å; P99-T105 VanDerWaalsContact O-OG1 3.12Å; I100-T105 WeakPolarHBondContact O-CB 3.47Å; Y102-T105 PolarHBondContact O-N 3.41Å; Y102-T105 VanDerWaalsContact O-N 3.09Å; T105-G107 PolarHBondContact O-N 3.32Å; T105-L108 WeakPolarHBondContact O-CB 3.35Å; T105-L108 PolarHBondContact O-N 3.45Å; T105-L108 VanDerWaalsContact O-N 3.16Å; T105-A109 PolarHBondContact O-N 3.14Å |
| 106 | V | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.2 | -31.5 | 176.2 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | Y72 Y102 P104 A109 C110 G168 I169 | Y72-V106 HydrophobicContact CE2-CG2 4.36Å; Y102-V106 HydrophobicContact CD2-CG1 3.98Å; Y102-V106 HydrophobicContact CE2-CG1 4.49Å; Y102-V106 HydrophobicContact CG-CG1 4.47Å; Y102-V106 WeakPolarHBondContact O-CB 3.36Å; Y102-V106 WeakPolarHBondContact O-CG1 3.29Å; Y102-V106 PolarHBondContact O-N 3.13Å; P104-V106 VanDerWaalsContact C-N 3.31Å; P104-V106 PolarHBondContact O-N 3.13Å; V106-A109 CarbonylContact O-C 3.45Å; V106-A109 WeakPolarHBondContact O-CB 3.34Å; V106-A109 PolarHBondContact O-N 3Å; V106-C110 PolarHBondContact O-N 2.93Å; V106-C110 PolarHBondContact O-SG 3.08Å; V106-G168 VanDerWaalsContact CG2-O 3.3Å; V106-G168 WeakPolarHBondContact CG2-O 3.13Å; V106-I169 HydrophobicContact CB-CD1 4.48Å; V106-I169 HydrophobicContact CG1-CD1 3.67Å; V106-I169 HydrophobicContact CG2-CD1 4.06Å |
| 107 | G | 91.5 | Very high | 94.4 | Very high | 9 Ų | 9 | 32 Ų | 32 | 9% | 0.093 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.8 | -45.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P104 T105 A109 C110 Q111 L159 | P104-G107 PolarHBondContact O-N 2.6Å; P104-G107 VanDerWaalsContact O-N 3.09Å; T105-G107 PolarHBondContact O-N 3.32Å; G107-A109 VanDerWaalsContact C-N 3.28Å; G107-A109 PolarHBondContact O-N 2.98Å; G107-C110 WeakPolarHBondContact O-CB 3.43Å; G107-C110 PolarHBondContact O-N 3.43Å; G107-C110 VanDerWaalsContact O-N 3.16Å; G107-Q111 PolarHBondContact O-N 3.5Å; G107-L159 VanDerWaalsContact C-CD1 3.48Å; G107-L159 VanDerWaalsContact CA-CD1 3.45Å; G107-L159 WeakPolarHBondContact O-CD1 3.11Å |
| 108 | L | 93.6 | Very high | 94 | Very high | 80 Ų | 80 | 39 Ų | 39 | 42% | 0.419 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61 | -40.8 | 172.4 | 176.3 | 61.4 | 0 | 0 | 0 | 111 | F69 T105 C110 Q111 Q112 | F69-L108 HydrophobicContact CB-CD2 4.11Å; F69-L108 HydrophobicContact CD2-CG 4.44Å; T105-L108 WeakPolarHBondContact O-CB 3.35Å; T105-L108 PolarHBondContact O-N 3.45Å; T105-L108 VanDerWaalsContact O-N 3.16Å; L108-C110 VanDerWaalsContact C-N 3.3Å; L108-C110 PolarHBondContact O-N 3.08Å; L108-Q111 PolarHBondContact O-N 2.94Å; L108-Q112 HydrophobicContact CD1-CG 4.36Å; L108-Q112 PolarHBondContact O-N 2.88Å; L108-Q112 VanDerWaalsContact O-N 3.08Å |
| 109 | A | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -35.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | F69 Y72 T105 V106 G107 Q112 Y113 | F69-A109 HydrophobicContact CD2-CB 4.34Å; F69-A109 HydrophobicContact CE2-CB 3.97Å; Y72-A109 HydrophobicContact CD1-CB 3.64Å; Y72-A109 HydrophobicContact CD2-CB 4.36Å; Y72-A109 HydrophobicContact CE1-CB 3.32Å; Y72-A109 HydrophobicContact CE2-CB 4.07Å; Y72-A109 HydrophobicContact CG-CB 4.15Å; T105-A109 PolarHBondContact O-N 3.14Å; V106-A109 CarbonylContact O-C 3.45Å; V106-A109 WeakPolarHBondContact O-CB 3.34Å; V106-A109 PolarHBondContact O-N 3Å; G107-A109 VanDerWaalsContact C-N 3.28Å; G107-A109 PolarHBondContact O-N 2.98Å; A109-Q112 CarbonylContact O-C 3.47Å; A109-Q112 PolarHBondContact O-N 3.28Å; A109-Y113 VanDerWaalsContact O-CA 3.24Å; A109-Y113 WeakPolarHBondContact O-CA 3.38Å; A109-Y113 WeakPolarHBondContact O-CB 3.22Å; A109-Y113 PolarHBondContact O-N 3.34Å |
| 110 | C | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 171.7 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | V106 G107 L108 Q112 Y113 L162 N165 | V106-C110 PolarHBondContact O-N 2.93Å; V106-C110 PolarHBondContact O-SG 3.08Å; G107-C110 WeakPolarHBondContact O-CB 3.43Å; G107-C110 PolarHBondContact O-N 3.43Å; G107-C110 VanDerWaalsContact O-N 3.16Å; L108-C110 VanDerWaalsContact C-N 3.3Å; L108-C110 PolarHBondContact O-N 3.08Å; C110-Q112 PolarHBondContact O-N 3.49Å; C110-Y113 VanDerWaalsContact O-CB 3.31Å; C110-Y113 WeakPolarHBondContact O-CB 3.22Å; C110-Y113 PolarHBondContact O-N 3.38Å; C110-Y113 VanDerWaalsContact O-N 3.13Å; C110-L162 HydrophobicContact CB-CD1 3.63Å; C110-N165 WeakPolarHBondContact CB-O 3.46Å; C110-N165 VanDerWaalsContact O-CB 3.25Å; C110-N165 WeakPolarHBondContact O-CB 3.32Å |
| 111 | Q | 95.8 | Very high | 93.3 | Very high | 89 Ų | 89 | 48.1 Ų | 48.1 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.7 | -31.1 | 176.4 | -67.2 | -178.6 | -63.3 | 0 | 0 | 113 | G107 L108 L159 L162 | G107-Q111 PolarHBondContact O-N 3.5Å; L108-Q111 PolarHBondContact O-N 2.94Å; Q111-L159 HydrophobicContact CG-CD1 4.12Å; Q111-L162 HydrophobicContact CG-CD1 4.02Å; Q111-L162 HydrophobicContact CG-CD2 4.25Å |
| 112 | Q | 96.9 | Very high | 93.3 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 36% | 0.36 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 5.6 | 179.3 | -60.4 | -60.4 | -66.2 | 0 | 0 | 113.5 | F69 L108 A109 C110 S114 L115 V116 | F69-Q112 HydrophobicContact CE2-CB 4.18Å; F69-Q112 HydrophobicContact CZ-CB 3.74Å; F69-Q112 HydrophobicContact CZ-CG 4.27Å; L108-Q112 HydrophobicContact CD1-CG 4.36Å; L108-Q112 PolarHBondContact O-N 2.88Å; L108-Q112 VanDerWaalsContact O-N 3.08Å; A109-Q112 CarbonylContact O-C 3.47Å; A109-Q112 PolarHBondContact O-N 3.28Å; C110-Q112 PolarHBondContact O-N 3.49Å; Q112-S114 PolarHBondContact O-N 2.94Å; Q112-L115 WeakPolarHBondContact O-CB 3.29Å; Q112-L115 PolarHBondContact O-N 3.38Å; Q112-V116 WeakPolarHBondContact O-CG2 3.49Å; Q112-V116 PolarHBondContact O-N 3.5Å; Q112-V116 VanDerWaalsContact O-N 3.14Å |
| 113 | Y | 97.1 | Very high | 93.5 | Very high | 24 Ų | 24 | 48.7 Ų | 48.7 | 9% | 0.094 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -42 | -162.8 | -155.9 | -96.6 | 0 | 0 | 0 | 113 | A109 C110 L115 V116 F117 N165 M167 I209 | A109-Y113 VanDerWaalsContact O-CA 3.24Å; A109-Y113 WeakPolarHBondContact O-CA 3.38Å; A109-Y113 WeakPolarHBondContact O-CB 3.22Å; A109-Y113 PolarHBondContact O-N 3.34Å; C110-Y113 VanDerWaalsContact O-CB 3.31Å; C110-Y113 WeakPolarHBondContact O-CB 3.22Å; C110-Y113 PolarHBondContact O-N 3.38Å; C110-Y113 VanDerWaalsContact O-N 3.13Å; Y113-L115 VanDerWaalsContact C-N 3.3Å; Y113-L115 PolarHBondContact O-N 2.87Å; Y113-V116 PolarHBondContact O-N 3.31Å; Y113-F117 HydrophobicContact CE1-CD2 4.14Å; Y113-F117 WeakPolarHBondContact O-CB 3.26Å; Y113-F117 PolarHBondContact O-N 3.04Å; Y113-N165 HydrophobicContact CG-CB 4.5Å; Y113-M167 HydrophobicContact CE1-CB 4.2Å; Y113-M167 HydrophobicContact CE1-CG 4.45Å; Y113-M167 WeakPolarHBondContact OH-CG 3.42Å; Y113-I209 HydrophobicContact CD1-CD1 3.94Å; Y113-I209 HydrophobicContact CE1-CD1 4.3Å |
| 114 | S | 96.8 | Very high | 94.2 | Very high | 12 Ų | 12 | 50.2 Ų | 50.2 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -36.9 | 176.1 | -73.8 | 0 | 0 | 0 | 0 | 113 | Q112 N165 L207 Y208 I209 | Q112-S114 PolarHBondContact O-N 2.94Å; S114-N165 PolarHBondContact N-OD1 3.13Å; S114-N165 PolarHBondContact OG-ND2 2.96Å; S114-N165 PolarHBondContact OG-OD1 2.84Å; S114-L207 WeakPolarHBondContact CB-O 3.44Å; S114-Y208 WeakPolarHBondContact OG-CA 3.45Å; S114-I209 PolarHBondContact OG-N 2.91Å |
| 115 | L | 95.6 | Very high | 94.6 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 57% | 0.571 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -72.1 | -41.7 | 179.4 | 175.9 | 64.2 | 0 | 0 | 0 | 112 | Q112 Y113 L207 | Q112-L115 WeakPolarHBondContact O-CB 3.29Å; Q112-L115 PolarHBondContact O-N 3.38Å; Y113-L115 VanDerWaalsContact C-N 3.3Å; Y113-L115 PolarHBondContact O-N 2.87Å; L115-L207 HydrophobicContact CD1-CD1 3.86Å |
| 116 | V | 92.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 48.1 Ų | 48.1 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -98.3 | 9.4 | -173.9 | -58.9 | 0 | 0 | 0 | 0 | 113.9 | F69 L73 Q112 Y113 R118 | F69-V116 HydrophobicContact CE1-CG1 3.84Å; F69-V116 HydrophobicContact CE2-CG2 4.43Å; F69-V116 HydrophobicContact CZ-CB 4.24Å; F69-V116 HydrophobicContact CZ-CG1 3.52Å; F69-V116 HydrophobicContact CZ-CG2 3.89Å; L73-V116 HydrophobicContact CD1-CG1 4.47Å; L73-V116 HydrophobicContact CD2-CB 4.08Å; L73-V116 HydrophobicContact CD2-CG2 4.01Å; Q112-V116 WeakPolarHBondContact O-CG2 3.49Å; Q112-V116 PolarHBondContact O-N 3.5Å; Q112-V116 VanDerWaalsContact O-N 3.14Å; Y113-V116 PolarHBondContact O-N 3.31Å; V116-R118 WeakPolarHBondContact O-CG 3.35Å; V116-R118 PolarHBondContact O-N 2.88Å |
| 117 | F | 94.4 | Very high | 95 | Very high | 86 Ų | 86 | 48.3 Ų | 48.3 | 38% | 0.377 | 24% | 0.237 | S | C | . | . | trans | -56.1 | 123.1 | 179.2 | -174.8 | -96.9 | 0 | 0 | 0 | 110.7 | Y113 P120 I209 | Y113-F117 HydrophobicContact CE1-CD2 4.14Å; Y113-F117 WeakPolarHBondContact O-CB 3.26Å; Y113-F117 PolarHBondContact O-N 3.04Å; F117-P120 HydrophobicContact CE2-CB 4.3Å; F117-P120 HydrophobicContact CZ-CB 3.88Å; F117-I209 HydrophobicContact CD2-CD1 3.83Å; F117-I209 HydrophobicContact CE2-CD1 4.23Å; F117-I209 HydrophobicContact CG-CD1 4.4Å | ||
| 118 | R | 87.7 | Confident | 95.4 | Very high | 150 Ų | 150 | 53.3 Ų | 53.3 | 57% | 0.566 | 26% | 0.258 | S | S | * | . | trans | -129.3 | -93.8 | -177 | -74.4 | 172 | 179 | -173 | 3.1 | 110.5 | D77 V116 | D77-R118 IonicContact OD1-NH1 3.59Å; D77-R118 IonicContact OD2-NH1 3.01Å; D77-R118 PolarHBondContact OD2-NH1 2.9Å; V116-R118 WeakPolarHBondContact O-CG 3.35Å; V116-R118 PolarHBondContact O-N 2.88Å | ||
| 119 | K | 88.6 | Confident | 95.6 | Very high | 95 Ų | 95 | 51.8 Ų | 51.8 | 41% | 0.413 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -89.4 | 121.7 | 175.4 | -71.3 | 177.6 | -178.8 | 175.1 | 0 | 108.1 | D80 R121 | D80-K119 HydrophobicContact CB-CD 3.54Å; D80-K119 PolarHBondContact O-NZ 3.03Å; D80-K119 VanDerWaalsContact OD2-CB 3.27Å; D80-K119 WeakPolarHBondContact OD2-CB 3.42Å; D80-K119 WeakPolarHBondContact OD2-CD 3.32Å; K119-R121 PolarHBondContact O-N 3.49Å |
| 120 | P | 89.8 | Confident | 95.8 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 57% | 0.571 | 27% | 0.267 | S | S | * | . | trans | -64.4 | 137.3 | 177.6 | 24.4 | -31.5 | 0 | 0 | 0 | 110.4 | F117 | F117-P120 HydrophobicContact CE2-CB 4.3Å; F117-P120 HydrophobicContact CZ-CB 3.88Å | ||
| 121 | R | 93.1 | Very high | 95.9 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 18% | 0.181 | 29% | 0.294 | C | S | . | . | trans | -127.9 | 136.8 | 172.4 | -76 | -74.8 | -82.1 | -171 | 7.4 | 108.9 | Q79 D80 K119 M167 V171 | Q79-R121 VanDerWaalsContact CD-NH2 3.27Å; Q79-R121 VanDerWaalsContact NE2-NH2 3.15Å; D80-R121 WeakPolarHBondContact OD1-CD 3.36Å; D80-R121 IonicContact OD1-CZ 2.64Å; D80-R121 IonicContact OD1-NE 3.2Å; D80-R121 IonicContact OD1-NH1 3.31Å; K119-R121 PolarHBondContact O-N 3.49Å; R121-M167 WeakPolarHBondContact O-CG 3.3Å; R121-M167 VanDerWaalsContact O-SD 3.38Å; R121-V171 HydrophobicContact CB-CG2 3.97Å | ||
| 122 | G | 96.4 | Very high | 96 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 83.3 | -176.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P190 | G122-P190 CarbonylContact C-O 3.55Å; G122-P190 WeakPolarHBondContact CA-O 3.01Å |
| 123 | L | 98.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 134.5 | -177.4 | -165.5 | 67.8 | 0 | 0 | 0 | 110.3 | I125 V136 L137 M167 L189 P190 V191 I192 | L123-I125 HydrophobicContact CD2-CD1 4.13Å; L123-I125 HydrophobicContact CD2-CG1 4.2Å; L123-I125 HydrophobicContact CG-CG1 4.18Å; L123-V136 HydrophobicContact CD1-CG1 3.98Å; L123-V136 HydrophobicContact CD2-CG1 4.18Å; L123-V136 HydrophobicContact CG-CG1 4.08Å; L123-L137 HydrophobicContact CD2-CD2 3.7Å; L123-M167 VanDerWaalsContact O-CE 3.24Å; L123-M167 WeakPolarHBondContact O-CE 3.18Å; L123-L189 HydrophobicContact CB-CD1 4.06Å; L123-P190 PolarHBondContact N-O 3.01Å; L123-V191 HydrophobicContact CB-CG2 4.5Å; L123-V191 WeakPolarHBondContact O-CA 3.29Å; L123-I192 PolarHBondContact O-N 2.82Å |
| 124 | F | 98.8 | Very high | 96.2 | Very high | 65 Ų | 65 | 58 Ų | 58 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 117 | 179.9 | -58.9 | -103.2 | 0 | 0 | 0 | 107.4 | C164 M167 I192 | F124-C164 VanDerWaalsContact CD1-SG 3.53Å; F124-M167 HydrophobicContact CD1-CE 4.37Å; F124-M167 HydrophobicContact CD2-CE 4.29Å; F124-M167 HydrophobicContact CE1-CB 4.1Å; F124-M167 HydrophobicContact CE1-CE 4.15Å; F124-M167 HydrophobicContact CE1-CG 4.12Å; F124-M167 HydrophobicContact CE2-CE 4.06Å; F124-M167 HydrophobicContact CG-CE 4.42Å; F124-M167 HydrophobicContact CZ-CB 4.29Å; F124-M167 HydrophobicContact CZ-CE 3.99Å; F124-M167 HydrophobicContact CZ-CG 3.83Å; F124-I192 HydrophobicContact CB-CG2 4.01Å; F124-I192 HydrophobicContact CD1-CG2 3.18Å; F124-I192 HydrophobicContact CE1-CG2 3.73Å; F124-I192 HydrophobicContact CG-CG2 3.74Å |
| 125 | I | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117.1 | 179.6 | -51.3 | 172 | 0 | 0 | 0 | 106.5 | L123 D129 I133 V136 V191 I192 L193 D194 F224 F228 | L123-I125 HydrophobicContact CD2-CD1 4.13Å; L123-I125 HydrophobicContact CD2-CG1 4.2Å; L123-I125 HydrophobicContact CG-CG1 4.18Å; I125-D129 HydrophobicContact CG2-CB 4.31Å; I125-I133 HydrophobicContact CD1-CG2 4.14Å; I125-I133 HydrophobicContact CG2-CD1 4.15Å; I125-I133 HydrophobicContact CG2-CG1 3.78Å; I125-I133 HydrophobicContact CG2-CG2 4.36Å; I125-V136 HydrophobicContact CG1-CG1 4.12Å; I125-V191 HydrophobicContact CD1-CG1 3.82Å; I125-V191 HydrophobicContact CG1-CG1 4.28Å; I125-I192 PolarHBondContact N-O 2.88Å; I125-L193 HydrophobicContact CB-CD2 3.97Å; I125-L193 HydrophobicContact CD1-CD2 4.34Å; I125-L193 HydrophobicContact CG2-CD2 4.48Å; I125-L193 CarbonylContact O-C 3.53Å; I125-L193 VanDerWaalsContact O-CA 3.3Å; I125-L193 WeakPolarHBondContact O-CA 3.5Å; I125-D194 PolarHBondContact O-N 3.08Å; I125-F224 HydrophobicContact CG2-CE2 3.96Å; I125-F224 HydrophobicContact CG2-CZ 3.83Å; I125-F228 HydrophobicContact CD1-CD2 3.86Å; I125-F228 HydrophobicContact CD1-CE2 3.86Å |
| 126 | S | 98.8 | Very high | 96.4 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 14% | 0.14 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 161.4 | -176.1 | 77.6 | 0 | 0 | 0 | 0 | 111.7 | H128 D129 D194 F224 | S126-H128 PolarHBondContact O-N 2.89Å; S126-H128 VanDerWaalsContact O-N 3.11Å; S126-H128 PolarHBondContact OG-N 3.13Å; S126-D129 WeakPolarHBondContact CA-OD2 3.38Å; S126-D129 WeakPolarHBondContact CB-OD2 3.28Å; S126-D129 PolarHBondContact N-OD2 3.3Å; S126-D129 WeakPolarHBondContact O-CB 3.32Å; S126-D129 PolarHBondContact O-N 3Å; S126-D129 PolarHBondContact OG-N 3.47Å; S126-D129 PolarHBondContact OG-OD2 3.21Å; S126-D194 CarbonylContact C-O 3.18Å; S126-D194 VanDerWaalsContact CA-O 3.23Å; S126-D194 WeakPolarHBondContact CA-O 3.46Å; S126-F224 WeakPolarHBondContact O-CE2 3.38Å; S126-F224 VanDerWaalsContact O-CZ 3.31Å; S126-F224 WeakPolarHBondContact O-CZ 3.47Å |
| 127 | I | 98.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -57.5 | -24.7 | 171.7 | -166.9 | 57.2 | 0 | 0 | 0 | 112.8 | D129 R130 D194 V195 L211 V216 E220 F224 | I127-D129 VanDerWaalsContact C-N 3.27Å; I127-D129 PolarHBondContact O-N 2.98Å; I127-R130 WeakPolarHBondContact O-CB 3.24Å; I127-R130 PolarHBondContact O-N 2.88Å; I127-D194 PolarHBondContact N-O 3.07Å; I127-V195 HydrophobicContact CB-CB 4.32Å; I127-V195 HydrophobicContact CB-CG1 4.12Å; I127-V195 HydrophobicContact CD1-CG1 4.4Å; I127-L211 HydrophobicContact CG2-CD1 3.95Å; I127-V216 HydrophobicContact CD1-CG1 4.39Å; I127-V216 HydrophobicContact CG1-CB 4.08Å; I127-V216 HydrophobicContact CG1-CG1 4.11Å; I127-V216 HydrophobicContact CG1-CG2 4.03Å; I127-V216 HydrophobicContact CG2-CG2 4.12Å; I127-E220 HydrophobicContact CD1-CG 4.35Å; I127-F224 HydrophobicContact CD1-CB 3.54Å; I127-F224 HydrophobicContact CD1-CD1 3.82Å; I127-F224 HydrophobicContact CD1-CD2 4.1Å; I127-F224 HydrophobicContact CD1-CG 3.55Å |
| 128 | H | 98.7 | Very high | 96.9 | Very high | 114 Ų | 114 | 56.2 Ų | 56.2 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -79.4 | -9.5 | 177.9 | -58.5 | -60 | 0 | 0 | 0 | 113.2 | S126 R130 Q213 | S126-H128 PolarHBondContact O-N 2.89Å; S126-H128 VanDerWaalsContact O-N 3.11Å; S126-H128 PolarHBondContact OG-N 3.13Å; H128-R130 VanDerWaalsContact C-N 3.29Å; H128-Q213 PolarHBondContact CE1-OE1 2.94Å; H128-Q213 PolarHBondContact NE2-OE1 3.28Å |
| 129 | D | 98.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 52.9 Ų | 52.9 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -89 | 5.3 | 172.6 | -59.2 | -61.8 | 0 | 0 | 0 | 112.6 | I125 S126 I127 G131 H132 I133 V136 | I125-D129 HydrophobicContact CG2-CB 4.31Å; S126-D129 WeakPolarHBondContact CA-OD2 3.38Å; S126-D129 WeakPolarHBondContact CB-OD2 3.28Å; S126-D129 PolarHBondContact N-OD2 3.3Å; S126-D129 WeakPolarHBondContact O-CB 3.32Å; S126-D129 PolarHBondContact O-N 3Å; S126-D129 PolarHBondContact OG-N 3.47Å; S126-D129 PolarHBondContact OG-OD2 3.21Å; I127-D129 VanDerWaalsContact C-N 3.27Å; I127-D129 PolarHBondContact O-N 2.98Å; D129-G131 PolarHBondContact O-N 2.82Å; D129-H132 CarbonylContact O-C 3.58Å; D129-H132 WeakPolarHBondContact O-CA 3.33Å; D129-H132 WeakPolarHBondContact O-CB 3.48Å; D129-H132 PolarHBondContact O-N 2.71Å; D129-I133 PolarHBondContact O-N 3.27Å; D129-V136 HydrophobicContact CB-CG2 4.19Å |
| 130 | R | 98.3 | Very high | 97.8 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 34% | 0.343 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 131.2 | 174.8 | -173.8 | -162 | 176 | 106.6 | -4.8 | 110.9 | I127 H128 H132 E220 D223 F224 E227 | I127-R130 WeakPolarHBondContact O-CB 3.24Å; I127-R130 PolarHBondContact O-N 2.88Å; H128-R130 VanDerWaalsContact C-N 3.29Å; R130-H132 VanDerWaalsContact C-N 3.31Å; R130-E220 PolarHBondContact NH1-O 2.83Å; R130-D223 VanDerWaalsContact CZ-CB 3.44Å; R130-D223 IonicContact CZ-OD2 2.71Å; R130-D223 IonicContact NH1-OD2 2.72Å; R130-D223 IonicContact NH2-OD2 3.96Å; R130-D223 PolarHBondContact NH2-OD2 3.18Å; R130-F224 HydrophobicContact CB-CD2 4.25Å; R130-E227 WeakPolarHBondContact CA-OE2 3.32Å; R130-E227 WeakPolarHBondContact CG-OE2 3.5Å |
| 131 | G | 98.4 | Very high | 98.2 | Very high | 56 Ų | 56 | 51 Ų | 51 | 58% | 0.577 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -4.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D129 E227 | D129-G131 PolarHBondContact O-N 2.82Å; G131-E227 VanDerWaalsContact C-OE1 3.26Å; G131-E227 VanDerWaalsContact CA-OE1 3.27Å; G131-E227 WeakPolarHBondContact CA-OE1 3.27Å; G131-E227 PolarHBondContact N-OE1 3.43Å; G131-E227 PolarHBondContact N-OE2 3.08Å |
| 132 | H | 98.8 | Very high | 98.4 | Very high | 119 Ų | 119 | 50.9 Ų | 50.9 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | trans | -134.9 | 7.8 | -170.5 | -58.9 | -66.9 | 0 | 0 | 0 | 113.9 | D129 R130 A134 S135 V136 E227 | D129-H132 CarbonylContact O-C 3.58Å; D129-H132 WeakPolarHBondContact O-CA 3.33Å; D129-H132 WeakPolarHBondContact O-CB 3.48Å; D129-H132 PolarHBondContact O-N 2.71Å; R130-H132 VanDerWaalsContact C-N 3.31Å; H132-A134 VanDerWaalsContact C-N 3.27Å; H132-A134 PolarHBondContact O-N 3.45Å; H132-S135 WeakPolarHBondContact O-CA 3.3Å; H132-S135 WeakPolarHBondContact O-CB 3.28Å; H132-S135 PolarHBondContact O-N 2.9Å; H132-S135 PolarHBondContact O-OG 2.89Å; H132-V136 PolarHBondContact O-N 2.89Å; H132-E227 PolarHBondContact N-OE1 3.37Å | ||
| 133 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57 | -41.5 | -177 | -63.9 | 178.9 | 0 | 0 | 0 | 111.6 | I125 D129 S135 V136 L137 F224 E227 F228 | I125-I133 HydrophobicContact CD1-CG2 4.14Å; I125-I133 HydrophobicContact CG2-CD1 4.15Å; I125-I133 HydrophobicContact CG2-CG1 3.78Å; I125-I133 HydrophobicContact CG2-CG2 4.36Å; D129-I133 PolarHBondContact O-N 3.27Å; I133-S135 PolarHBondContact O-N 3.42Å; I133-V136 PolarHBondContact O-N 2.87Å; I133-L137 HydrophobicContact CG2-CD1 4.32Å; I133-L137 HydrophobicContact CG2-CG 4.26Å; I133-L137 WeakPolarHBondContact O-CG 3.27Å; I133-L137 PolarHBondContact O-N 3.34Å; I133-F224 HydrophobicContact CD1-CD2 3.86Å; I133-F224 HydrophobicContact CD1-CE2 3.6Å; I133-F224 HydrophobicContact CD1-CZ 4.43Å; I133-F224 HydrophobicContact CG1-CE2 4.15Å; I133-E227 HydrophobicContact CB-CG 4.33Å; I133-E227 HydrophobicContact CD1-CB 3.96Å; I133-E227 HydrophobicContact CD1-CG 3.82Å; I133-E227 HydrophobicContact CG1-CG 4.2Å; I133-E227 WeakPolarHBondContact CG1-OE1 3.35Å; I133-E227 PolarHBondContact N-OE1 3.28Å; I133-F228 HydrophobicContact CD1-CB 3.94Å; I133-F228 HydrophobicContact CG2-CD2 4.47Å |
| 134 | A | 98.6 | Very high | 98.5 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 45% | 0.446 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.2 | -34.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H132 N138 | H132-A134 VanDerWaalsContact C-N 3.27Å; H132-A134 PolarHBondContact O-N 3.45Å; A134-N138 PolarHBondContact O-ND2 2.91Å |
| 135 | S | 98.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 56.7 Ų | 56.7 | 47% | 0.469 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73 | -39.9 | 176.5 | 77.5 | 0 | 0 | 0 | 0 | 112.1 | H132 I133 L137 N138 | H132-S135 WeakPolarHBondContact O-CA 3.3Å; H132-S135 WeakPolarHBondContact O-CB 3.28Å; H132-S135 PolarHBondContact O-N 2.9Å; H132-S135 PolarHBondContact O-OG 2.89Å; I133-S135 PolarHBondContact O-N 3.42Å; S135-L137 VanDerWaalsContact C-N 3.32Å; S135-L137 PolarHBondContact O-N 2.83Å; S135-N138 WeakPolarHBondContact O-CB 3.23Å; S135-N138 PolarHBondContact O-N 2.89Å; S135-N138 VanDerWaalsContact O-N 3.09Å |
| 136 | V | 98.8 | Very high | 98.5 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 16% | 0.164 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | L123 I125 D129 H132 I133 N138 A139 | L123-V136 HydrophobicContact CD1-CG1 3.98Å; L123-V136 HydrophobicContact CD2-CG1 4.18Å; L123-V136 HydrophobicContact CG-CG1 4.08Å; I125-V136 HydrophobicContact CG1-CG1 4.12Å; D129-V136 HydrophobicContact CB-CG2 4.19Å; H132-V136 PolarHBondContact O-N 2.89Å; I133-V136 PolarHBondContact O-N 2.87Å; V136-N138 PolarHBondContact O-N 3.27Å; V136-A139 WeakPolarHBondContact O-CB 3.3Å; V136-A139 PolarHBondContact O-N 3.02Å |
| 137 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.2 | -27.3 | 175.8 | -66.2 | 174.8 | 0 | 0 | 0 | 113 | L123 I133 S135 A139 W140 L189 V232 K235 Y236 | L123-L137 HydrophobicContact CD2-CD2 3.7Å; I133-L137 HydrophobicContact CG2-CD1 4.32Å; I133-L137 HydrophobicContact CG2-CG 4.26Å; I133-L137 WeakPolarHBondContact O-CG 3.27Å; I133-L137 PolarHBondContact O-N 3.34Å; S135-L137 VanDerWaalsContact C-N 3.32Å; S135-L137 PolarHBondContact O-N 2.83Å; L137-A139 PolarHBondContact O-N 2.91Å; L137-W140 PolarHBondContact O-N 3.28Å; L137-L189 HydrophobicContact CD2-CD2 4.47Å; L137-V232 HydrophobicContact CD1-CG2 4.19Å; L137-V232 HydrophobicContact CD2-CG2 4.31Å; L137-K235 HydrophobicContact CB-CD 3.48Å; L137-K235 VanDerWaalsContact CB-CD 3.48Å; L137-K235 HydrophobicContact CD1-CB 4.34Å; L137-K235 HydrophobicContact CD1-CD 4.12Å; L137-K235 HydrophobicContact CG-CD 4.4Å; L137-K235 VanDerWaalsContact O-CE 3.29Å; L137-K235 WeakPolarHBondContact O-CE 3.31Å; L137-Y236 HydrophobicContact CD2-CE2 4.14Å |
| 138 | N | 98.4 | Very high | 98.5 | Very high | 107 Ų | 107 | 58.7 Ų | 58.7 | 57% | 0.572 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12.7 | 177 | -63.7 | -30.5 | 0 | 0 | 0 | 113.5 | A134 S135 V136 W140 K235 | A134-N138 PolarHBondContact O-ND2 2.91Å; S135-N138 WeakPolarHBondContact O-CB 3.23Å; S135-N138 PolarHBondContact O-N 2.89Å; S135-N138 VanDerWaalsContact O-N 3.09Å; V136-N138 PolarHBondContact O-N 3.27Å; N138-W140 VanDerWaalsContact C-N 3.26Å; N138-K235 PolarHBondContact OD1-NZ 2.82Å |
| 139 | A | 98.4 | Very high | 98.5 | Very high | 80 Ų | 80 | 53.2 Ų | 53.2 | 66% | 0.661 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V136 L137 | V136-A139 WeakPolarHBondContact O-CB 3.3Å; V136-A139 PolarHBondContact O-N 3.02Å; L137-A139 PolarHBondContact O-N 2.91Å |
| 140 | W | 98.3 | Very high | 98.5 | Very high | 43 Ų | 43 | 51 Ų | 51 | 16% | 0.163 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -74.3 | 130.7 | 177 | -167.2 | -109.2 | 0 | 0 | 0 | 110.8 | L137 N138 E142 L189 | L137-W140 PolarHBondContact O-N 3.28Å; N138-W140 VanDerWaalsContact C-N 3.26Å; W140-E142 VanDerWaalsContact C-N 3.29Å; W140-E142 PolarHBondContact O-N 2.9Å; W140-L189 HydrophobicContact CD2-CD1 3.46Å; W140-L189 VanDerWaalsContact CD2-CD1 3.46Å; W140-L189 HydrophobicContact CE3-CD1 3.71Å; W140-L189 HydrophobicContact CG-CD1 3.95Å; W140-L189 HydrophobicContact CH2-CD1 4.06Å; W140-L189 HydrophobicContact CZ2-CD1 3.84Å; W140-L189 HydrophobicContact CZ3-CD1 4Å |
| 141 | P | 97 | Very high | 98.5 | Very high | 100 Ų | 100 | 46.6 Ų | 46.6 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -75.8 | -12.8 | -171.3 | 29.6 | -36.7 | 0 | 0 | 0 | 114.7 | ||
| 142 | E | 97.9 | Very high | 98.5 | Very high | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.21 | 26% | 0.256 | C | S | . | . | trans | -104.9 | 115.5 | -179.6 | -61.1 | -67.1 | 155.8 | 0 | 0 | 110.4 | H23 W140 V144 I145 Q186 | H23-E142 IonicContact CD2-OE1 3.14Å; W140-E142 VanDerWaalsContact C-N 3.29Å; W140-E142 PolarHBondContact O-N 2.9Å; E142-V144 VanDerWaalsContact C-N 3.31Å; E142-V144 PolarHBondContact O-N 3.02Å; E142-I145 HydrophobicContact CB-CD1 4Å; E142-Q186 WeakPolarHBondContact CB-O 3.5Å; E142-Q186 HydrophobicContact CG-CB 4.28Å | ||
| 143 | D | 97.7 | Very high | 98.5 | Very high | 123 Ų | 123 | 38.3 Ų | 38.3 | 66% | 0.658 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -74.5 | -22 | -179.2 | -67.9 | -51.1 | 0 | 0 | 0 | 113.4 | Y236 | D143-Y236 WeakPolarHBondContact O-CD1 3.15Š|
| 144 | V | 98.2 | Very high | 98.5 | Very high | 87 Ų | 87 | 40 Ų | 40 | 53% | 0.527 | 24% | 0.238 | S | C | . | . | trans | -108.9 | 85.9 | -173.9 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | E142 K187 | E142-V144 VanDerWaalsContact C-N 3.31Å; E142-V144 PolarHBondContact O-N 3.02Å; V144-K187 WeakPolarHBondContact O-CA 3.1Å | ||
| 145 | I | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | trans | -96.1 | 137.3 | 172.5 | -56.9 | -53.7 | 0 | 0 | 0 | 110.2 | E142 I148 L189 Y236 | E142-I145 HydrophobicContact CB-CD1 4Å; I145-I148 HydrophobicContact CG2-CD1 4.13Å; I145-I148 HydrophobicContact CG2-CG1 3.79Å; I145-L189 HydrophobicContact CD1-CB 4.12Å; I145-L189 HydrophobicContact CG1-CB 4.2Å; I145-L189 HydrophobicContact CG1-CD2 4.36Å; I145-L189 HydrophobicContact CG2-CB 3.71Å; I145-L189 HydrophobicContact CG2-CD2 4.45Å; I145-Y236 HydrophobicContact CB-CD1 3.72Å; I145-Y236 HydrophobicContact CB-CD2 3.99Å; I145-Y236 HydrophobicContact CB-CE1 3.88Å; I145-Y236 HydrophobicContact CB-CE2 4.14Å; I145-Y236 HydrophobicContact CB-CG 3.77Å; I145-Y236 HydrophobicContact CG1-CD1 3.92Å; I145-Y236 HydrophobicContact CG1-CD2 4.43Å; I145-Y236 HydrophobicContact CG1-CE1 3.53Å; I145-Y236 HydrophobicContact CG1-CE2 4.1Å; I145-Y236 HydrophobicContact CG1-CG 4.35Å; I145-Y236 HydrophobicContact CG2-CD2 4.42Å | ||
| 146 | K | 98.8 | Very high | 98.1 | Very high | 67 Ų | 67 | 37.2 Ų | 37.2 | 29% | 0.291 | 21% | 0.206 | S | C | . | . | trans | -125 | -18 | 177.4 | -62.9 | -159.8 | 178.5 | -165.7 | 0 | 113.5 | K187 L241 V466 | K146-K187 HydrophobicContact CB-CB 4.2Å; K146-K187 HydrophobicContact CD-CD 4Å; K146-K187 HydrophobicContact CG-CB 4.3Å; K146-K187 HydrophobicContact CG-CD 4.1Å; K146-K187 PolarHBondContact N-O 3.35Å; K146-L241 WeakPolarHBondContact O-CB 3.41Å; K146-L241 PolarHBondContact O-N 2.6Å; K146-V466 HydrophobicContact CB-CG1 3.83Å; K146-V466 HydrophobicContact CB-CG2 4.36Å; K146-V466 HydrophobicContact CD-CG1 3.53Å; K146-V466 HydrophobicContact CG-CG1 4.35Å | ||
| 147 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 128.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y177 K187 C188 L189 L241 | A147-Y177 HydrophobicContact CB-CD1 4.24Å; A147-Y177 HydrophobicContact CB-CE1 4.11Å; A147-K187 PolarHBondContact N-O 2.91Å; A147-C188 CarbonylContact O-C 3.55Å; A147-C188 VanDerWaalsContact O-CA 3.27Å; A147-C188 WeakPolarHBondContact O-CA 3.26Å; A147-L189 PolarHBondContact O-N 2.89Å; A147-L241 CarbonylContact C-O 3.57Å; A147-L241 WeakPolarHBondContact CA-O 3.45Å; A147-L241 HydrophobicContact CB-CB 4.42Å; A147-L241 HydrophobicContact CB-CD2 4.38Å |
| 148 | I | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.9 | 173.3 | -72.6 | 159.8 | 0 | 0 | 0 | 108 | I145 V150 L189 V191 F228 V232 Y236 L241 Q243 | I145-I148 HydrophobicContact CG2-CD1 4.13Å; I145-I148 HydrophobicContact CG2-CG1 3.79Å; I148-V150 HydrophobicContact CG2-CB 4.22Å; I148-L189 WeakPolarHBondContact CA-O 3.41Å; I148-L189 HydrophobicContact CD1-CD2 4.17Å; I148-L189 HydrophobicContact CG1-CB 3.82Å; I148-L189 HydrophobicContact CG1-CD2 4.1Å; I148-L189 HydrophobicContact CG1-CG 4.15Å; I148-V191 HydrophobicContact CG2-CB 4.45Å; I148-V191 HydrophobicContact CG2-CG2 3.88Å; I148-F228 HydrophobicContact CG2-CZ 4.29Å; I148-V232 HydrophobicContact CD1-CB 4.32Å; I148-V232 HydrophobicContact CD1-CG1 3.28Å; I148-V232 HydrophobicContact CD1-CG2 4.02Å; I148-Y236 HydrophobicContact CD1-CD2 4.32Å; I148-L241 PolarHBondContact N-O 3.41Å; I148-Q243 PolarHBondContact O-N 3.13Å |
| 149 | V | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125 | 161.5 | 177.6 | 0 | 0 | 0 | 0 | 106.3 | P170 K173 L174 Y177 L189 V191 Q243 E245 | V149-P170 HydrophobicContact CB-CB 4.23Å; V149-P170 HydrophobicContact CG1-CB 4.07Å; V149-P170 HydrophobicContact CG1-CG 4.37Å; V149-K173 HydrophobicContact CG1-CB 4.38Å; V149-K173 HydrophobicContact CG1-CD 4.23Å; V149-L174 HydrophobicContact CB-CD1 4.35Å; V149-L174 HydrophobicContact CB-CD2 4.37Å; V149-L174 HydrophobicContact CB-CG 4.09Å; V149-L174 HydrophobicContact CG2-CD1 4.44Å; V149-L174 HydrophobicContact CG2-CD2 3.59Å; V149-L174 HydrophobicContact CG2-CG 3.74Å; V149-Y177 HydrophobicContact CG2-CE2 4.03Å; V149-L189 PolarHBondContact N-O 3.38Å; V149-V191 PolarHBondContact O-N 2.9Å; V149-Q243 WeakPolarHBondContact CA-O 3.39Å; V149-Q243 HydrophobicContact CG2-CB 4.2Å; V149-E245 HydrophobicContact CG1-CB 3.96Å; V149-E245 HydrophobicContact CG1-CG 4.5Å |
| 150 | V | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 141.5 | -178 | 62.9 | 0 | 0 | 0 | 0 | 110 | I148 V191 L193 F228 I242 Q243 F244 E245 F247 | I148-V150 HydrophobicContact CG2-CB 4.22Å; V150-V191 WeakPolarHBondContact CA-O 3.46Å; V150-V191 HydrophobicContact CB-CB 4.15Å; V150-V191 HydrophobicContact CG2-CB 3.97Å; V150-V191 HydrophobicContact CG2-CG1 3.9Å; V150-L193 HydrophobicContact CG2-CD1 3.78Å; V150-L193 HydrophobicContact CG2-CD2 4.25Å; V150-L193 HydrophobicContact CG2-CG 3.61Å; V150-F228 HydrophobicContact CB-CE1 4.32Å; V150-F228 HydrophobicContact CB-CZ 4.13Å; V150-F228 HydrophobicContact CG1-CE1 4.1Å; V150-F228 HydrophobicContact CG1-CZ 4.39Å; V150-F228 HydrophobicContact CG2-CE1 4.15Å; V150-F228 HydrophobicContact CG2-CZ 3.96Å; V150-I242 HydrophobicContact CG1-CG2 4.07Å; V150-Q243 PolarHBondContact N-O 3.5Å; V150-F244 HydrophobicContact CG1-CD1 4.08Å; V150-F244 HydrophobicContact CG1-CE1 4.24Å; V150-F244 HydrophobicContact CG1-CG 4.43Å; V150-E245 PolarHBondContact O-N 3.1Å; V150-F247 WeakPolarHBondContact O-CE2 3.36Å |
| 151 | T | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 157 | 171 | -171.4 | 0 | 0 | 0 | 0 | 109.7 | G153 P170 V191 I192 L193 E245 | T151-G153 PolarHBondContact OG1-N 2.77Å; T151-P170 HydrophobicContact CG2-CG 3.57Å; T151-V191 PolarHBondContact N-O 3.5Å; T151-I192 HydrophobicContact CG2-CD1 3.49Å; T151-I192 VanDerWaalsContact CG2-CD1 3.49Å; T151-I192 WeakPolarHBondContact O-CA 3.4Å; T151-L193 PolarHBondContact O-N 3.39Å; T151-E245 WeakPolarHBondContact CA-O 3.35Å; T151-E245 WeakPolarHBondContact CB-O 3.42Å; T151-E245 PolarHBondContact OG1-O 3.14Å |
| 152 | D | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -103 | 2.7 | 163.5 | 69.7 | -0.1 | 0 | 0 | 0 | 112.5 | E154 L193 R215 Y221 F247 | D152-E154 PolarHBondContact O-N 2.85Å; D152-E154 VanDerWaalsContact OD1-CB 3.31Å; D152-E154 WeakPolarHBondContact OD1-CB 3.18Å; D152-E154 PolarHBondContact OD1-N 2.88Å; D152-E154 VanDerWaalsContact OD1-N 3.15Å; D152-L193 WeakPolarHBondContact CA-O 3.45Å; D152-L193 HydrophobicContact CB-CB 4.29Å; D152-R215 VanDerWaalsContact O-CZ 3.31Å; D152-R215 PolarHBondContact O-NH1 2.89Å; D152-R215 PolarHBondContact O-NH2 2.82Å; D152-R215 IonicContact OD2-NH1 3.35Å; D152-Y221 PolarHBondContact OD2-OH 3.08Å; D152-F247 HydrophobicContact CB-CD1 4.16Å; D152-F247 HydrophobicContact CB-CE1 3.74Å; D152-F247 HydrophobicContact CB-CZ 4.26Å; D152-F247 WeakPolarHBondContact OD2-CD1 3.31Å | ||
| 153 | G | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 69.6 | 11.3 | 176 | 0 | 0 | 0 | 0 | 0 | 115.2 | T151 D161 L162 G163 R215 | T151-G153 PolarHBondContact OG1-N 2.77Å; G153-D161 WeakPolarHBondContact O-CA 3.42Å; G153-L162 PolarHBondContact O-N 3.03Å; G153-G163 PolarHBondContact O-N 2.65Å; G153-R215 VanDerWaalsContact C-NH2 3.33Å; G153-R215 PolarHBondContact O-NH2 2.76Å |
| 154 | E | 98.4 | Very high | 96.2 | Very high | 35 Ų | 35 | 22.5 Ų | 22.5 | 16% | 0.164 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -28.4 | -174.3 | -168.5 | 179.9 | 173.3 | 0 | 0 | 113 | D152 G160 D161 R215 R217 A248 | D152-E154 PolarHBondContact O-N 2.85Å; D152-E154 VanDerWaalsContact OD1-CB 3.31Å; D152-E154 WeakPolarHBondContact OD1-CB 3.18Å; D152-E154 PolarHBondContact OD1-N 2.88Å; D152-E154 VanDerWaalsContact OD1-N 3.15Å; E154-G160 CarbonylContact O-C 3.6Å; E154-D161 VanDerWaalsContact O-CA 3.23Å; E154-D161 WeakPolarHBondContact O-CA 3.5Å; E154-D161 PolarHBondContact O-N 3.4Å; E154-R215 VanDerWaalsContact CA-NH2 3.32Å; E154-R217 IonicContact OE1-CZ 3.86Å; E154-R217 VanDerWaalsContact OE1-CZ 3.31Å; E154-R217 IonicContact OE1-NH1 2.85Å; E154-R217 PolarHBondContact OE1-NH1 3.03Å; E154-R217 IonicContact OE1-NH2 2.74Å; E154-R217 PolarHBondContact OE1-NH2 2.73Å; E154-R217 IonicContact OE2-CZ 3.23Å; E154-R217 IonicContact OE2-NH1 2.77Å; E154-R217 PolarHBondContact OE2-NH1 3.2Å; E154-R217 IonicContact OE2-NH2 2.81Å; E154-A248 HydrophobicContact CB-CB 4.31Å; E154-A248 HydrophobicContact CG-CB 3.85Å; E154-A248 WeakPolarHBondContact OE1-CB 3.43Å; E154-A248 WeakPolarHBondContact OE2-CB 3.38Å |
| 155 | R | 95.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 18.4 Ų | 18.4 | 23% | 0.23 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.9 | 58.1 | -175.7 | -165.9 | -173 | 161.4 | -86.6 | -10.6 | 111.2 | L157 D246 N249 E304 | R155-L157 PolarHBondContact O-N 3.47Å; R155-D246 CarbonylContact C-O 3.08Å; R155-D246 WeakPolarHBondContact CA-O 3.42Å; R155-D246 PolarHBondContact N-O 3.42Å; R155-D246 WeakPolarHBondContact O-CB 3.05Å; R155-N249 WeakPolarHBondContact CD-OD1 3.28Å; R155-N249 PolarHBondContact NE-OD1 2.97Å; R155-N249 VanDerWaalsContact NE-OD1 3.1Å; R155-E304 WeakPolarHBondContact CD-OE1 3.06Å; R155-E304 IonicContact CZ-OE1 2.9Å; R155-E304 IonicContact NE-OE1 2.6Å; R155-E304 IonicContact NH1-OE1 2.76Å; R155-E304 PolarHBondContact NH1-OE1 3.19Å; R155-E304 IonicContact NH1-OE2 3.61Å |
| 156 | I | 93.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.015 | 10% | 0.104 | C | C | . | . | B | Isolated β-bridge | trans | -57.8 | 124.6 | 170.7 | -54.5 | -46.6 | 0 | 0 | 0 | 108.8 | G158 L159 G160 L162 I169 D246 | I156-G158 PolarHBondContact O-N 2.93Å; I156-G158 VanDerWaalsContact O-N 3.08Å; I156-L159 HydrophobicContact CB-CB 4.36Å; I156-L159 HydrophobicContact CG2-CB 4.32Å; I156-L159 HydrophobicContact CG2-CD1 4.18Å; I156-L159 PolarHBondContact O-N 3.35Å; I156-G160 PolarHBondContact N-O 2.97Å; I156-G160 PolarHBondContact O-N 3.44Å; I156-L162 HydrophobicContact CB-CD1 3.98Å; I156-L162 HydrophobicContact CB-CG 4.2Å; I156-L162 HydrophobicContact CG1-CB 3.9Å; I156-L162 HydrophobicContact CG1-CD1 3.92Å; I156-L162 HydrophobicContact CG1-CG 3.94Å; I156-L162 HydrophobicContact CG2-CD1 4.04Å; I156-I169 HydrophobicContact CD1-CG1 3.9Å; I156-I169 HydrophobicContact CG2-CD1 4.03Å; I156-I169 HydrophobicContact CG2-CG1 3.98Å; I156-D246 WeakPolarHBondContact CA-OD2 3.31Å; I156-D246 HydrophobicContact CD1-CB 3.77Å |
| 157 | L | 85.6 | Confident | 96.2 | Very high | 57 Ų | 57 | 15 Ų | 15 | 30% | 0.298 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 115.3 | -166.7 | -173.4 | 64.9 | 0 | 0 | 0 | 113.2 | R155 L159 D246 N408 | R155-L157 PolarHBondContact O-N 3.47Å; L157-L159 PolarHBondContact O-N 3.43Å; L157-D246 PolarHBondContact N-OD1 2.8Å; L157-N408 HydrophobicContact CD2-CB 3.85Å; L157-N408 HydrophobicContact CG-CB 4.34Å |
| 158 | G | 83.1 | Confident | 96.1 | Very high | 36 Ų | 36 | 15 Ų | 15 | 37% | 0.371 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -2.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | I156 | I156-G158 PolarHBondContact O-N 2.93Å; I156-G158 VanDerWaalsContact O-N 3.08Å |
| 159 | L | 89.1 | Confident | 96.1 | Very high | 55 Ų | 55 | 15.2 Ų | 15.2 | 29% | 0.288 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -19.6 | -175.9 | -58.6 | 178 | 0 | 0 | 0 | 113.5 | G107 Q111 I156 L157 L162 | G107-L159 VanDerWaalsContact C-CD1 3.48Å; G107-L159 VanDerWaalsContact CA-CD1 3.45Å; G107-L159 WeakPolarHBondContact O-CD1 3.11Å; Q111-L159 HydrophobicContact CG-CD1 4.12Å; I156-L159 HydrophobicContact CB-CB 4.36Å; I156-L159 HydrophobicContact CG2-CB 4.32Å; I156-L159 HydrophobicContact CG2-CD1 4.18Å; I156-L159 PolarHBondContact O-N 3.35Å; L157-L159 PolarHBondContact O-N 3.43Å; L159-L162 HydrophobicContact CB-CD1 4.16Å; L159-L162 HydrophobicContact CD1-CD1 4.22Å |
| 160 | G | 93.8 | Very high | 96.1 | Very high | 31 Ų | 31 | 15.2 Ų | 15.2 | 32% | 0.32 | 9% | 0.091 | S | C | . | . | B | Isolated β-bridge | trans | 82.5 | -145.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E154 I156 L162 | E154-G160 CarbonylContact O-C 3.6Å; I156-G160 PolarHBondContact N-O 2.97Å; I156-G160 PolarHBondContact O-N 3.44Å; G160-L162 PolarHBondContact O-N 3.4Å |
| 161 | D | 98.2 | Very high | 96.1 | Very high | 23 Ų | 23 | 15.6 Ų | 15.6 | 12% | 0.123 | 9% | 0.093 | C | C | . | . | trans | -77.4 | 110.6 | -175.8 | -171.8 | -13.7 | 0 | 0 | 0 | 110.7 | G153 E154 G163 T197 E198 N199 R215 | G153-D161 WeakPolarHBondContact O-CA 3.42Å; E154-D161 VanDerWaalsContact O-CA 3.23Å; E154-D161 WeakPolarHBondContact O-CA 3.5Å; E154-D161 PolarHBondContact O-N 3.4Å; D161-G163 PolarHBondContact OD1-N 3.11Å; D161-T197 PolarHBondContact OD1-OG1 3.09Å; D161-T197 PolarHBondContact OD2-OG1 2.96Å; D161-E198 PolarHBondContact OD2-N 2.62Å; D161-N199 WeakPolarHBondContact O-CB 3.25Å; D161-N199 PolarHBondContact O-ND2 3.03Å; D161-R215 IonicContact OD1-CZ 3.67Å; D161-R215 IonicContact OD1-NE 2.71Å; D161-R215 PolarHBondContact OD1-NE 2.95Å; D161-R215 IonicContact OD1-NH2 3.71Å; D161-R215 PolarHBondContact OD1-NH2 3.25Å; D161-R215 IonicContact OD2-CZ 3.03Å; D161-R215 IonicContact OD2-NE 3.89Å; D161-R215 PolarHBondContact OD2-NE 2.87Å; D161-R215 IonicContact OD2-NH2 3.45Å | ||
| 162 | L | 98.4 | Very high | 96 | Very high | 8 Ų | 8 | 15.7 Ų | 15.7 | 4% | 0.042 | 9% | 0.094 | C | C | . | . | trans | -110.6 | 6.4 | 173.3 | -59.1 | -174.7 | 0 | 0 | 0 | 112.4 | C110 Q111 G153 I156 L159 G160 C164 N165 L202 | C110-L162 HydrophobicContact CB-CD1 3.63Å; Q111-L162 HydrophobicContact CG-CD1 4.02Å; Q111-L162 HydrophobicContact CG-CD2 4.25Å; G153-L162 PolarHBondContact O-N 3.03Å; I156-L162 HydrophobicContact CB-CD1 3.98Å; I156-L162 HydrophobicContact CB-CG 4.2Å; I156-L162 HydrophobicContact CG1-CB 3.9Å; I156-L162 HydrophobicContact CG1-CD1 3.92Å; I156-L162 HydrophobicContact CG1-CG 3.94Å; I156-L162 HydrophobicContact CG2-CD1 4.04Å; L159-L162 HydrophobicContact CB-CD1 4.16Å; L159-L162 HydrophobicContact CD1-CD1 4.22Å; G160-L162 PolarHBondContact O-N 3.4Å; L162-C164 PolarHBondContact O-N 2.93Å; L162-N165 HydrophobicContact CB-CB 4.42Å; L162-N165 VanDerWaalsContact O-CB 3.28Å; L162-N165 WeakPolarHBondContact O-CB 3.29Å; L162-N165 PolarHBondContact O-N 2.97Å; L162-L202 VanDerWaalsContact C-CD1 3.5Å; L162-L202 VanDerWaalsContact O-CD1 3.32Å; L162-L202 WeakPolarHBondContact O-CD1 3.36Å | ||
| 163 | G | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | 49.7 | -133.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | G153 D161 N165 G166 | G153-G163 PolarHBondContact O-N 2.65Å; D161-G163 PolarHBondContact OD1-N 3.11Å; G163-N165 PolarHBondContact O-N 3.46Å; G163-G166 PolarHBondContact O-N 3.49Å; G163-G166 VanDerWaalsContact O-N 3.07Å |
| 164 | C | 98.7 | Very high | 96 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.034 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -62.1 | -25 | -179.8 | -168.1 | 0 | 0 | 0 | 0 | 113.9 | F124 L162 G166 M167 D194 Y208 G210 | F124-C164 VanDerWaalsContact CD1-SG 3.53Å; L162-C164 PolarHBondContact O-N 2.93Å; C164-G166 PolarHBondContact O-N 3.23Å; C164-G166 VanDerWaalsContact O-N 3.11Å; C164-M167 PolarHBondContact O-N 3.33Å; C164-D194 WeakPolarHBondContact CB-OD2 3.46Å; C164-Y208 HydrophobicContact CB-CE2 4.26Å; C164-Y208 PolarHBondContact N-OH 3.43Å; C164-G210 VanDerWaalsContact CB-CA 3.41Å |
| 165 | N | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -66.2 | -13.8 | 177.1 | -71.1 | -11.9 | 0 | 0 | 0 | 112.8 | C110 Y113 S114 L162 G163 M167 | C110-N165 WeakPolarHBondContact CB-O 3.46Å; C110-N165 VanDerWaalsContact O-CB 3.25Å; C110-N165 WeakPolarHBondContact O-CB 3.32Å; Y113-N165 HydrophobicContact CG-CB 4.5Å; S114-N165 PolarHBondContact N-OD1 3.13Å; S114-N165 PolarHBondContact OG-ND2 2.96Å; S114-N165 PolarHBondContact OG-OD1 2.84Å; L162-N165 HydrophobicContact CB-CB 4.42Å; L162-N165 VanDerWaalsContact O-CB 3.28Å; L162-N165 WeakPolarHBondContact O-CB 3.29Å; L162-N165 PolarHBondContact O-N 2.97Å; G163-N165 PolarHBondContact O-N 3.46Å; N165-M167 PolarHBondContact O-N 2.99Å |
| 166 | G | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -64.3 | -10.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | G163 C164 G168 I169 P170 | G163-G166 PolarHBondContact O-N 3.49Å; G163-G166 VanDerWaalsContact O-N 3.07Å; C164-G166 PolarHBondContact O-N 3.23Å; C164-G166 VanDerWaalsContact O-N 3.11Å; G166-G168 PolarHBondContact O-N 2.96Å; G166-I169 WeakPolarHBondContact O-CB 3.48Å; G166-I169 PolarHBondContact O-N 3.09Å; G166-P170 VanDerWaalsContact O-CD 3.29Å; G166-P170 WeakPolarHBondContact O-CD 3.43Å |
| 167 | M | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | G | 310 helix | trans | -54 | -26.7 | 178.3 | 171.9 | 55.5 | 82.9 | 0 | 0 | 113.6 | Y113 R121 L123 F124 C164 N165 I169 P170 V171 P190 I192 | Y113-M167 HydrophobicContact CE1-CB 4.2Å; Y113-M167 HydrophobicContact CE1-CG 4.45Å; Y113-M167 WeakPolarHBondContact OH-CG 3.42Å; R121-M167 WeakPolarHBondContact O-CG 3.3Å; R121-M167 VanDerWaalsContact O-SD 3.38Å; L123-M167 VanDerWaalsContact O-CE 3.24Å; L123-M167 WeakPolarHBondContact O-CE 3.18Å; F124-M167 HydrophobicContact CD1-CE 4.37Å; F124-M167 HydrophobicContact CD2-CE 4.29Å; F124-M167 HydrophobicContact CE1-CB 4.1Å; F124-M167 HydrophobicContact CE1-CE 4.15Å; F124-M167 HydrophobicContact CE1-CG 4.12Å; F124-M167 HydrophobicContact CE2-CE 4.06Å; F124-M167 HydrophobicContact CG-CE 4.42Å; F124-M167 HydrophobicContact CZ-CB 4.29Å; F124-M167 HydrophobicContact CZ-CE 3.99Å; F124-M167 HydrophobicContact CZ-CG 3.83Å; C164-M167 PolarHBondContact O-N 3.33Å; N165-M167 PolarHBondContact O-N 2.99Å; M167-I169 PolarHBondContact O-N 2.71Å; M167-P170 WeakPolarHBondContact O-CD 3.29Å; M167-V171 HydrophobicContact CG-CG2 4.35Å; M167-V171 WeakPolarHBondContact O-CG2 3.46Å; M167-V171 PolarHBondContact O-N 3Å; M167-V171 HydrophobicContact SD-CG2 3.95Å; M167-P190 HydrophobicContact SD-CB 4.1Å; M167-I192 HydrophobicContact CB-CB 4.28Å; M167-I192 HydrophobicContact CB-CG2 4.37Å; M167-I192 HydrophobicContact CE-CB 3.78Å; M167-I192 HydrophobicContact CE-CG2 3.46Å; M167-I192 VanDerWaalsContact CE-CG2 3.46Å |
| 168 | G | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -56.8 | -30.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V106 G166 G172 | V106-G168 VanDerWaalsContact CG2-O 3.3Å; V106-G168 WeakPolarHBondContact CG2-O 3.13Å; G166-G168 PolarHBondContact O-N 2.96Å; G168-G172 PolarHBondContact O-N 3.19Å |
| 169 | I | 97.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 7.1 Ų | 7.1 | 3% | 0.026 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -68.3 | -56 | -178.5 | -57.8 | -54.4 | 0 | 0 | 0 | 112.1 | Y102 V106 I156 G166 M167 V171 G172 K173 E245 D246 | Y102-I169 HydrophobicContact CE2-CG2 4.35Å; V106-I169 HydrophobicContact CB-CD1 4.48Å; V106-I169 HydrophobicContact CG1-CD1 3.67Å; V106-I169 HydrophobicContact CG2-CD1 4.06Å; I156-I169 HydrophobicContact CD1-CG1 3.9Å; I156-I169 HydrophobicContact CG2-CD1 4.03Å; I156-I169 HydrophobicContact CG2-CG1 3.98Å; G166-I169 WeakPolarHBondContact O-CB 3.48Å; G166-I169 PolarHBondContact O-N 3.09Å; M167-I169 PolarHBondContact O-N 2.71Å; I169-V171 PolarHBondContact O-N 2.84Å; I169-G172 PolarHBondContact O-N 3.47Å; I169-K173 WeakPolarHBondContact O-CB 3.31Å; I169-K173 PolarHBondContact O-N 2.95Å; I169-E245 HydrophobicContact CG2-CG 3.59Å; I169-D246 WeakPolarHBondContact CG2-OD2 3.33Å |
| 170 | P | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -52.6 | -40.9 | 172.9 | -29.9 | 33.6 | 0 | 0 | 0 | 113.9 | V149 T151 G166 M167 K173 L174 P190 V191 | V149-P170 HydrophobicContact CB-CB 4.23Å; V149-P170 HydrophobicContact CG1-CB 4.07Å; V149-P170 HydrophobicContact CG1-CG 4.37Å; T151-P170 HydrophobicContact CG2-CG 3.57Å; G166-P170 VanDerWaalsContact O-CD 3.29Å; G166-P170 WeakPolarHBondContact O-CD 3.43Å; M167-P170 WeakPolarHBondContact O-CD 3.29Å; P170-K173 PolarHBondContact O-N 3.44Å; P170-L174 WeakPolarHBondContact O-CB 3.47Å; P170-L174 WeakPolarHBondContact O-CG 3.35Å; P170-L174 PolarHBondContact O-N 3.36Å; P170-P190 HydrophobicContact CB-CB 3.59Å; P170-V191 WeakPolarHBondContact CG-O 3.38Å |
| 171 | V | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 3 Ų | 3 | 4% | 0.042 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -63.4 | -51.2 | 179.3 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | M76 R121 M167 I169 K173 L174 A175 P190 | M76-V171 HydrophobicContact SD-CG1 4.37Å; R121-V171 HydrophobicContact CB-CG2 3.97Å; M167-V171 HydrophobicContact CG-CG2 4.35Å; M167-V171 WeakPolarHBondContact O-CG2 3.46Å; M167-V171 PolarHBondContact O-N 3Å; M167-V171 HydrophobicContact SD-CG2 3.95Å; I169-V171 PolarHBondContact O-N 2.84Å; V171-K173 VanDerWaalsContact C-N 3.35Å; V171-K173 PolarHBondContact O-N 3.39Å; V171-L174 PolarHBondContact O-N 3.47Å; V171-A175 PolarHBondContact O-N 3Å; V171-P190 HydrophobicContact CG2-CB 3.94Å; V171-P190 HydrophobicContact CG2-CG 3.97Å |
| 172 | G | 97.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 2 Ų | 2 | 2% | 0.021 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V101 G168 I169 A175 L176 | V101-G172 WeakPolarHBondContact O-CA 3.46Å; G168-G172 PolarHBondContact O-N 3.19Å; I169-G172 PolarHBondContact O-N 3.47Å; G172-A175 VanDerWaalsContact O-CB 3.31Å; G172-A175 WeakPolarHBondContact O-CB 3.17Å; G172-A175 PolarHBondContact O-N 3.43Å; G172-L176 PolarHBondContact O-N 3.2Å |
| 173 | K | 98.5 | Very high | 98.5 | Very high | 1 Ų | 1 | 2 Ų | 2 | 0% | 0.004 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -65.7 | -44.1 | 179.6 | -156.2 | 164.4 | -165.5 | 124.6 | 0 | 112 | Y102 V149 I169 P170 V171 A175 L176 Y177 Q243 E245 D268 F458 | Y102-K173 HydrophobicContact CE2-CB 3.97Å; Y102-K173 HydrophobicContact CE2-CG 4.36Å; Y102-K173 PolarHBondContact OH-NZ 2.91Å; V149-K173 HydrophobicContact CG1-CB 4.38Å; V149-K173 HydrophobicContact CG1-CD 4.23Å; I169-K173 WeakPolarHBondContact O-CB 3.31Å; I169-K173 PolarHBondContact O-N 2.95Å; P170-K173 PolarHBondContact O-N 3.44Å; V171-K173 VanDerWaalsContact C-N 3.35Å; V171-K173 PolarHBondContact O-N 3.39Å; K173-A175 VanDerWaalsContact C-N 3.28Å; K173-A175 PolarHBondContact O-N 3.46Å; K173-L176 CarbonylContact O-C 3.54Å; K173-L176 WeakPolarHBondContact O-CA 3.47Å; K173-L176 WeakPolarHBondContact O-CB 3.05Å; K173-L176 PolarHBondContact O-N 2.99Å; K173-Y177 HydrophobicContact CG-CD2 4.48Å; K173-Y177 HydrophobicContact CG-CE2 4.22Å; K173-Y177 VanDerWaalsContact O-CD2 3.29Å; K173-Y177 WeakPolarHBondContact O-CD2 3.46Å; K173-Y177 PolarHBondContact O-N 3.3Å; K173-Q243 VanDerWaalsContact CD-NE2 3.32Å; K173-Q243 VanDerWaalsContact CE-NE2 3.26Å; K173-E245 VanDerWaalsContact CD-CD 3.49Å; K173-E245 HydrophobicContact CD-CG 4.2Å; K173-E245 VanDerWaalsContact CD-OE2 3.22Å; K173-E245 WeakPolarHBondContact CD-OE2 3.33Å; K173-E245 WeakPolarHBondContact CE-OE2 3.37Å; K173-E245 IonicContact NZ-OE1 3.19Å; K173-E245 PolarHBondContact NZ-OE1 3.37Å; K173-E245 IonicContact NZ-OE2 3.05Å; K173-E245 PolarHBondContact NZ-OE2 3.18Å; K173-D268 WeakPolarHBondContact CE-OD2 3.24Å; K173-D268 IonicContact NZ-OD2 3.81Å; K173-D268 PolarHBondContact NZ-OD2 2.98Å; K173-F458 HydrophobicContact CG-CD2 4.46Å; K173-F458 HydrophobicContact CG-CE1 4.34Å; K173-F458 HydrophobicContact CG-CE2 4.03Å; K173-F458 HydrophobicContact CG-CZ 3.98Å |
| 174 | L | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 4.2 Ų | 4.2 | 4% | 0.042 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -68.5 | -25.1 | 174.9 | -71.6 | 172.8 | 0 | 0 | 0 | 113.3 | V149 P170 V171 L176 Y177 T178 C188 P190 | V149-L174 HydrophobicContact CB-CD1 4.35Å; V149-L174 HydrophobicContact CB-CD2 4.37Å; V149-L174 HydrophobicContact CB-CG 4.09Å; V149-L174 HydrophobicContact CG2-CD1 4.44Å; V149-L174 HydrophobicContact CG2-CD2 3.59Å; V149-L174 HydrophobicContact CG2-CG 3.74Å; P170-L174 WeakPolarHBondContact O-CB 3.47Å; P170-L174 WeakPolarHBondContact O-CG 3.35Å; P170-L174 PolarHBondContact O-N 3.36Å; V171-L174 PolarHBondContact O-N 3.47Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-Y177 HydrophobicContact CD2-CD1 3.96Å; L174-Y177 HydrophobicContact CD2-CD2 4.26Å; L174-Y177 HydrophobicContact CD2-CE1 4.32Å; L174-Y177 HydrophobicContact CD2-CG 3.94Å; L174-Y177 WeakPolarHBondContact O-CB 3.48Å; L174-Y177 PolarHBondContact O-N 3.18Å; L174-T178 PolarHBondContact O-N 3.47Å; L174-T178 PolarHBondContact O-OG1 2.91Å; L174-C188 HydrophobicContact CB-CB 4.29Å; L174-C188 HydrophobicContact CD1-CB 4.05Å; L174-C188 HydrophobicContact CD2-CB 3.82Å; L174-C188 HydrophobicContact CG-CB 4.27Å; L174-P190 HydrophobicContact CD1-CB 3.82Å; L174-P190 HydrophobicContact CD1-CG 3.9Å |
| 175 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111 | F86 Y87 V171 G172 K173 T178 A179 | F86-A175 HydrophobicContact CE1-CB 4.16Å; F86-A175 HydrophobicContact CZ-CB 4.23Å; Y87-A175 HydrophobicContact CE1-CB 4.46Å; Y87-A175 WeakPolarHBondContact CE1-O 3.33Å; V171-A175 PolarHBondContact O-N 3Å; G172-A175 VanDerWaalsContact O-CB 3.31Å; G172-A175 WeakPolarHBondContact O-CB 3.17Å; G172-A175 PolarHBondContact O-N 3.43Å; K173-A175 VanDerWaalsContact C-N 3.28Å; K173-A175 PolarHBondContact O-N 3.46Å; A175-T178 PolarHBondContact O-N 2.96Å; A175-A179 WeakPolarHBondContact O-CB 3.42Å; A175-A179 PolarHBondContact O-N 2.68Å |
| 176 | L | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.005 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -74.6 | -30.5 | 175.9 | -60.7 | -172.8 | 0 | 0 | 0 | 113.8 | M98 V101 Y102 G172 K173 L174 T178 A179 C180 G181 S455 F458 | M98-L176 HydrophobicContact CB-CD2 4.44Å; M98-L176 HydrophobicContact CG-CD1 4Å; M98-L176 HydrophobicContact CG-CD2 3.85Å; M98-L176 HydrophobicContact SD-CD1 4.41Å; V101-L176 HydrophobicContact CG2-CD2 4.12Å; Y102-L176 HydrophobicContact CD1-CD1 3.53Å; Y102-L176 HydrophobicContact CE1-CD1 4.33Å; Y102-L176 HydrophobicContact CG-CD1 3.68Å; Y102-L176 HydrophobicContact CG-CG 4.5Å; G172-L176 PolarHBondContact O-N 3.2Å; K173-L176 CarbonylContact O-C 3.54Å; K173-L176 WeakPolarHBondContact O-CA 3.47Å; K173-L176 WeakPolarHBondContact O-CB 3.05Å; K173-L176 PolarHBondContact O-N 2.99Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L176-T178 PolarHBondContact O-N 2.88Å; L176-A179 PolarHBondContact O-N 3.42Å; L176-C180 WeakPolarHBondContact O-CA 3.4Å; L176-C180 VanDerWaalsContact O-CB 3.22Å; L176-C180 WeakPolarHBondContact O-CB 3.16Å; L176-C180 PolarHBondContact O-N 2.9Å; L176-G181 PolarHBondContact O-N 3.41Å; L176-S455 WeakPolarHBondContact CD1-OG 3.32Å; L176-F458 HydrophobicContact CB-CE2 3.82Å; L176-F458 HydrophobicContact CB-CZ 3.76Å; L176-F458 HydrophobicContact CD1-CZ 4.05Å |
| 177 | Y | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 0% | 0.004 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -52.9 | -40 | 168.2 | -89 | -128.2 | 0 | 0 | 0 | 111.3 | A147 V149 K173 L174 G181 G182 M183 L241 Q243 F458 A462 | A147-Y177 HydrophobicContact CB-CD1 4.24Å; A147-Y177 HydrophobicContact CB-CE1 4.11Å; V149-Y177 HydrophobicContact CG2-CE2 4.03Å; K173-Y177 HydrophobicContact CG-CD2 4.48Å; K173-Y177 HydrophobicContact CG-CE2 4.22Å; K173-Y177 VanDerWaalsContact O-CD2 3.29Å; K173-Y177 WeakPolarHBondContact O-CD2 3.46Å; K173-Y177 PolarHBondContact O-N 3.3Å; L174-Y177 HydrophobicContact CD2-CD1 3.96Å; L174-Y177 HydrophobicContact CD2-CD2 4.26Å; L174-Y177 HydrophobicContact CD2-CE1 4.32Å; L174-Y177 HydrophobicContact CD2-CG 3.94Å; L174-Y177 WeakPolarHBondContact O-CB 3.48Å; L174-Y177 PolarHBondContact O-N 3.18Å; Y177-G181 CarbonylContact O-C 3.47Å; Y177-G181 VanDerWaalsContact O-C 3.28Å; Y177-G181 WeakPolarHBondContact O-CA 3.38Å; Y177-G181 PolarHBondContact O-N 2.84Å; Y177-G181 VanDerWaalsContact O-N 3.09Å; Y177-G182 PolarHBondContact O-N 3.28Å; Y177-G182 VanDerWaalsContact O-N 3.14Å; Y177-M183 WeakPolarHBondContact O-CB 3.25Å; Y177-M183 PolarHBondContact O-N 3.48Å; Y177-L241 HydrophobicContact CE1-CD2 4.12Å; Y177-Q243 PolarHBondContact OH-OE1 2.9Å; Y177-F458 AromaticContact CD2-CD2 3.35Å; Y177-F458 HydrophobicContact CD2-CD2 3.35Å; Y177-F458 AromaticContact CD2-CE2 3.54Å; Y177-F458 HydrophobicContact CD2-CE2 3.54Å; Y177-F458 HydrophobicContact CE2-CB 4.25Å; Y177-F458 AromaticContact CE2-CD2 3.18Å; Y177-F458 HydrophobicContact CE2-CD2 3.18Å; Y177-F458 AromaticContact CE2-CE2 3.78Å; Y177-F458 HydrophobicContact CE2-CE2 3.78Å; Y177-F458 AromaticContact CE2-CG 3.99Å; Y177-F458 HydrophobicContact CE2-CG 3.99Å; Y177-F458 HydrophobicContact CG-CD2 4.44Å; Y177-A462 HydrophobicContact CD1-CB 3.65Å; Y177-A462 HydrophobicContact CE1-CB 3.18Å |
| 178 | T | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -82.9 | -50.2 | 179.9 | -56.8 | 0 | 0 | 0 | 0 | 112 | Y87 L174 A175 L176 G182 M183 P185 R507 Y545 | Y87-T178 HydrophobicContact CD1-CG2 3.55Å; Y87-T178 HydrophobicContact CD2-CG2 3.74Å; Y87-T178 HydrophobicContact CE1-CG2 3.44Å; Y87-T178 VanDerWaalsContact CE1-CG2 3.44Å; Y87-T178 HydrophobicContact CE2-CG2 3.63Å; Y87-T178 HydrophobicContact CG-CG2 3.7Å; Y87-T178 VanDerWaalsContact CZ-CG2 3.47Å; L174-T178 PolarHBondContact O-N 3.47Å; L174-T178 PolarHBondContact O-OG1 2.91Å; A175-T178 PolarHBondContact O-N 2.96Å; L176-T178 PolarHBondContact O-N 2.88Å; T178-G182 VanDerWaalsContact O-CA 3.24Å; T178-G182 WeakPolarHBondContact O-CA 3.35Å; T178-G182 PolarHBondContact O-N 3.04Å; T178-M183 WeakPolarHBondContact CB-O 3.28Å; T178-M183 VanDerWaalsContact CG2-O 3.32Å; T178-M183 WeakPolarHBondContact CG2-O 3.34Å; T178-M183 PolarHBondContact OG1-O 2.85Å; T178-P185 HydrophobicContact CG2-CB 4.42Å; T178-P185 HydrophobicContact CG2-CG 4.29Å; T178-R507 PolarHBondContact O-NH1 2.85Å; T178-Y545 HydrophobicContact CG2-CD1 3.61Å; T178-Y545 HydrophobicContact CG2-CE1 4.04Å; T178-Y545 HydrophobicContact CG2-CG 4.13Å |
| 179 | A | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 2% | 0.017 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -67.5 | -40.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y87 L90 T91 A175 L176 R507 | Y87-A179 HydrophobicContact CD1-CB 4.23Å; L90-A179 HydrophobicContact CB-CB 4.23Å; L90-A179 HydrophobicContact CD2-CB 4.05Å; T91-A179 HydrophobicContact CG2-CB 4.4Å; A175-A179 WeakPolarHBondContact O-CB 3.42Å; A175-A179 PolarHBondContact O-N 2.68Å; L176-A179 PolarHBondContact O-N 3.42Å; A179-R507 VanDerWaalsContact O-CD 3.29Å; A179-R507 WeakPolarHBondContact O-CD 3.45Å; A179-R507 VanDerWaalsContact O-CG 3.26Å; A179-R507 WeakPolarHBondContact O-CG 3.35Å; A179-R507 PolarHBondContact O-NH1 3.13Å |
| 180 | C | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -40.3 | -179.4 | -55.9 | 0 | 0 | 0 | 0 | 112 | L176 P459 I506 R507 S510 | L176-C180 WeakPolarHBondContact O-CA 3.4Å; L176-C180 VanDerWaalsContact O-CB 3.22Å; L176-C180 WeakPolarHBondContact O-CB 3.16Å; L176-C180 PolarHBondContact O-N 2.9Å; C180-P459 HydrophobicContact CB-CB 3.88Å; C180-P459 HydrophobicContact CB-CG 3.69Å; C180-I506 HydrophobicContact CB-CG1 3.86Å; C180-I506 HydrophobicContact CB-CG2 3.98Å; C180-R507 VanDerWaalsContact O-CA 3.29Å; C180-R507 WeakPolarHBondContact O-CA 3.4Å; C180-R507 WeakPolarHBondContact O-CG 3.42Å; C180-S510 WeakPolarHBondContact O-CB 3.44Å; C180-S510 PolarHBondContact O-OG 3.31Å; C180-S510 VanDerWaalsContact O-OG 3.11Å |
| 181 | G | 98.2 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -13.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L176 Y177 M183 P459 L463 | L176-G181 PolarHBondContact O-N 3.41Å; Y177-G181 CarbonylContact O-C 3.47Å; Y177-G181 VanDerWaalsContact O-C 3.28Å; Y177-G181 WeakPolarHBondContact O-CA 3.38Å; Y177-G181 PolarHBondContact O-N 2.84Å; Y177-G181 VanDerWaalsContact O-N 3.09Å; G181-M183 PolarHBondContact O-N 3.19Å; G181-P459 VanDerWaalsContact N-CB 3.31Å; G181-L463 VanDerWaalsContact O-CD2 3.3Å; G181-L463 WeakPolarHBondContact O-CD2 3.37Å |
| 182 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | trans | 67 | 22.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y177 T178 M544 Y545 | Y177-G182 PolarHBondContact O-N 3.28Å; Y177-G182 VanDerWaalsContact O-N 3.14Å; T178-G182 VanDerWaalsContact O-CA 3.24Å; T178-G182 WeakPolarHBondContact O-CA 3.35Å; T178-G182 PolarHBondContact O-N 3.04Å; G182-M544 CarbonylContact O-C 3.43Å; G182-M544 WeakPolarHBondContact O-CA 3.47Å; G182-Y545 WeakPolarHBondContact O-CB 3.36Å; G182-Y545 PolarHBondContact O-N 3.2Å | ||
| 183 | M | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 9 Ų | 9 | 4% | 0.044 | 5% | 0.046 | C | C | . | . | trans | -61.3 | 146.4 | 168.1 | -163.5 | 59.8 | 67.2 | 0 | 0 | 110.1 | Y177 T178 G181 C188 A462 V466 Y545 | Y177-M183 WeakPolarHBondContact O-CB 3.25Å; Y177-M183 PolarHBondContact O-N 3.48Å; T178-M183 WeakPolarHBondContact CB-O 3.28Å; T178-M183 VanDerWaalsContact CG2-O 3.32Å; T178-M183 WeakPolarHBondContact CG2-O 3.34Å; T178-M183 PolarHBondContact OG1-O 2.85Å; G181-M183 PolarHBondContact O-N 3.19Å; M183-C188 VanDerWaalsContact CG-SG 3.51Å; M183-A462 VanDerWaalsContact CE-C 3.45Å; M183-A462 HydrophobicContact CE-CB 3.93Å; M183-A462 WeakPolarHBondContact CE-O 3.35Å; M183-V466 HydrophobicContact CE-CB 3.96Å; M183-V466 HydrophobicContact CE-CG1 4.4Å; M183-V466 HydrophobicContact CE-CG2 3.84Å; M183-V466 HydrophobicContact SD-CB 4.33Å; M183-V466 HydrophobicContact SD-CG1 4.1Å; M183-V466 HydrophobicContact SD-CG2 4.36Å; M183-Y545 WeakPolarHBondContact O-CB 3.42Å | ||
| 184 | N | 98.6 | Very high | 98.7 | Very high | 46 Ų | 46 | 9.5 Ų | 9.5 | 25% | 0.246 | 5% | 0.048 | C | C | . | . | trans | -76.1 | 121.5 | 174.6 | -177.8 | -26.9 | 0 | 0 | 0 | 109.5 | Q186 K187 C188 | N184-Q186 VanDerWaalsContact C-N 3.28Å; N184-Q186 PolarHBondContact O-N 3.35Å; N184-Q186 PolarHBondContact OD1-N 3.17Å; N184-K187 HydrophobicContact CB-CB 4.46Å; N184-K187 HydrophobicContact CB-CD 4.12Å; N184-K187 HydrophobicContact CB-CG 4.12Å; N184-K187 WeakPolarHBondContact O-CB 3.42Å; N184-K187 PolarHBondContact O-N 3.44Å; N184-C188 PolarHBondContact O-SG 2.99Å | ||
| 185 | P | 98.5 | Very high | 98.7 | Very high | 11 Ų | 11 | 9.1 Ų | 9.1 | 7% | 0.071 | 5% | 0.046 | C | C | . | . | G | 310 helix | trans | -64.1 | -27.1 | -174.3 | 27.2 | -36.9 | 0 | 0 | 0 | 114.1 | E83 Y87 T178 K187 C188 Y545 | E83-P185 HydrophobicContact CG-CB 4.46Å; E83-P185 HydrophobicContact CG-CG 3.97Å; E83-P185 WeakPolarHBondContact OE1-CB 3.49Å; E83-P185 WeakPolarHBondContact OE2-CG 3.2Å; Y87-P185 HydrophobicContact CD2-CG 4.39Å; Y87-P185 HydrophobicContact CE2-CB 3.7Å; Y87-P185 HydrophobicContact CE2-CG 3.74Å; T178-P185 HydrophobicContact CG2-CB 4.42Å; T178-P185 HydrophobicContact CG2-CG 4.29Å; P185-K187 PolarHBondContact O-N 2.98Å; P185-C188 WeakPolarHBondContact O-CB 3.45Å; P185-C188 PolarHBondContact O-N 3.02Å; P185-Y545 HydrophobicContact CG-CD2 4.39Å; P185-Y545 HydrophobicContact CG-CE2 4Å |
| 186 | Q | 98.1 | Very high | 98.7 | Very high | 27 Ų | 27 | 9.1 Ų | 9.1 | 13% | 0.126 | 5% | 0.046 | C | C | . | . | G | 310 helix | trans | -70.8 | -17.2 | 174.2 | -75 | 161.2 | 65.6 | 0 | 0 | 112.9 | R9 H23 E142 N184 C188 | R9-Q186 VanDerWaalsContact CZ-OE1 3.24Å; R9-Q186 VanDerWaalsContact NH1-NE2 3.1Å; H23-Q186 HydrophobicContact CB-CG 4.45Å; H23-Q186 WeakPolarHBondContact ND1-CG 3.35Å; E142-Q186 WeakPolarHBondContact CB-O 3.5Å; E142-Q186 HydrophobicContact CG-CB 4.28Å; N184-Q186 VanDerWaalsContact C-N 3.28Å; N184-Q186 PolarHBondContact O-N 3.35Å; N184-Q186 PolarHBondContact OD1-N 3.17Å; Q186-C188 VanDerWaalsContact C-N 3.32Å |
| 187 | K | 98.7 | Very high | 98.7 | Very high | 66 Ų | 66 | 9 Ų | 9 | 29% | 0.287 | 5% | 0.046 | S | C | . | . | G | 310 helix | trans | -94.4 | 7.7 | 175.1 | -57 | -175.6 | 178.9 | 172.7 | 0 | 112.5 | V144 K146 A147 N184 P185 | V144-K187 WeakPolarHBondContact O-CA 3.1Å; K146-K187 HydrophobicContact CB-CB 4.2Å; K146-K187 HydrophobicContact CD-CD 4Å; K146-K187 HydrophobicContact CG-CB 4.3Å; K146-K187 HydrophobicContact CG-CD 4.1Å; K146-K187 PolarHBondContact N-O 3.35Å; A147-K187 PolarHBondContact N-O 2.91Å; N184-K187 HydrophobicContact CB-CB 4.46Å; N184-K187 HydrophobicContact CB-CD 4.12Å; N184-K187 HydrophobicContact CB-CG 4.12Å; N184-K187 WeakPolarHBondContact O-CB 3.42Å; N184-K187 PolarHBondContact O-N 3.44Å; P185-K187 PolarHBondContact O-N 2.98Å |
| 188 | C | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 5% | 0.054 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.8 | -178.1 | -67.2 | 0 | 0 | 0 | 0 | 110 | A147 L174 M183 N184 P185 Q186 | A147-C188 CarbonylContact O-C 3.55Å; A147-C188 VanDerWaalsContact O-CA 3.27Å; A147-C188 WeakPolarHBondContact O-CA 3.26Å; L174-C188 HydrophobicContact CB-CB 4.29Å; L174-C188 HydrophobicContact CD1-CB 4.05Å; L174-C188 HydrophobicContact CD2-CB 3.82Å; L174-C188 HydrophobicContact CG-CB 4.27Å; M183-C188 VanDerWaalsContact CG-SG 3.51Å; N184-C188 PolarHBondContact O-SG 2.99Å; P185-C188 WeakPolarHBondContact O-CB 3.45Å; P185-C188 PolarHBondContact O-N 3.02Å; Q186-C188 VanDerWaalsContact C-N 3.32Å |
| 189 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 109.5 | 179.8 | 170.7 | 61.1 | 0 | 0 | 0 | 110.6 | L123 L137 W140 I145 A147 I148 V149 V191 Y236 | L123-L189 HydrophobicContact CB-CD1 4.06Å; L137-L189 HydrophobicContact CD2-CD2 4.47Å; W140-L189 HydrophobicContact CD2-CD1 3.46Å; W140-L189 VanDerWaalsContact CD2-CD1 3.46Å; W140-L189 HydrophobicContact CE3-CD1 3.71Å; W140-L189 HydrophobicContact CG-CD1 3.95Å; W140-L189 HydrophobicContact CH2-CD1 4.06Å; W140-L189 HydrophobicContact CZ2-CD1 3.84Å; W140-L189 HydrophobicContact CZ3-CD1 4Å; I145-L189 HydrophobicContact CD1-CB 4.12Å; I145-L189 HydrophobicContact CG1-CB 4.2Å; I145-L189 HydrophobicContact CG1-CD2 4.36Å; I145-L189 HydrophobicContact CG2-CB 3.71Å; I145-L189 HydrophobicContact CG2-CD2 4.45Å; A147-L189 PolarHBondContact O-N 2.89Å; I148-L189 WeakPolarHBondContact CA-O 3.41Å; I148-L189 HydrophobicContact CD1-CD2 4.17Å; I148-L189 HydrophobicContact CG1-CB 3.82Å; I148-L189 HydrophobicContact CG1-CD2 4.1Å; I148-L189 HydrophobicContact CG1-CG 4.15Å; V149-L189 PolarHBondContact N-O 3.38Å; L189-V191 HydrophobicContact CD1-CG2 4.45Å; L189-V191 HydrophobicContact CD2-CG2 4.26Å; L189-V191 HydrophobicContact CG-CG2 3.85Å; L189-Y236 HydrophobicContact CD2-CE2 3.97Å |
| 190 | P | 98.9 | Very high | 98.7 | Very high | 9 Ų | 9 | 18.3 Ų | 18.3 | 6% | 0.058 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 134.8 | 171.6 | 12.1 | -3.1 | 0 | 0 | 0 | 110.5 | G122 L123 M167 P170 V171 L174 | G122-P190 CarbonylContact C-O 3.55Å; G122-P190 WeakPolarHBondContact CA-O 3.01Å; L123-P190 PolarHBondContact N-O 3.01Å; M167-P190 HydrophobicContact SD-CB 4.1Å; P170-P190 HydrophobicContact CB-CB 3.59Å; V171-P190 HydrophobicContact CG2-CB 3.94Å; V171-P190 HydrophobicContact CG2-CG 3.97Å; L174-P190 HydrophobicContact CD1-CB 3.82Å; L174-P190 HydrophobicContact CD1-CG 3.9Å |
| 191 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 137.6 | -178.9 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | L123 I125 I148 V149 V150 T151 P170 L189 L193 F228 | L123-V191 HydrophobicContact CB-CG2 4.5Å; L123-V191 WeakPolarHBondContact O-CA 3.29Å; I125-V191 HydrophobicContact CD1-CG1 3.82Å; I125-V191 HydrophobicContact CG1-CG1 4.28Å; I148-V191 HydrophobicContact CG2-CB 4.45Å; I148-V191 HydrophobicContact CG2-CG2 3.88Å; V149-V191 PolarHBondContact O-N 2.9Å; V150-V191 WeakPolarHBondContact CA-O 3.46Å; V150-V191 HydrophobicContact CB-CB 4.15Å; V150-V191 HydrophobicContact CG2-CB 3.97Å; V150-V191 HydrophobicContact CG2-CG1 3.9Å; T151-V191 PolarHBondContact N-O 3.5Å; P170-V191 WeakPolarHBondContact CG-O 3.38Å; L189-V191 HydrophobicContact CD1-CG2 4.45Å; L189-V191 HydrophobicContact CD2-CG2 4.26Å; L189-V191 HydrophobicContact CG-CG2 3.85Å; V191-L193 HydrophobicContact CG1-CD2 3.99Å; V191-F228 HydrophobicContact CG1-CE2 3.92Å; V191-F228 HydrophobicContact CG1-CZ 4.31Å; V191-F228 HydrophobicContact CG2-CE2 4.5Å |
| 192 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.9 | 164.9 | -173.3 | 68.8 | 0 | 0 | 0 | 109.2 | L123 F124 I125 T151 M167 | L123-I192 PolarHBondContact O-N 2.82Å; F124-I192 HydrophobicContact CB-CG2 4.01Å; F124-I192 HydrophobicContact CD1-CG2 3.18Å; F124-I192 HydrophobicContact CE1-CG2 3.73Å; F124-I192 HydrophobicContact CG-CG2 3.74Å; I125-I192 PolarHBondContact N-O 2.88Å; T151-I192 HydrophobicContact CG2-CD1 3.49Å; T151-I192 VanDerWaalsContact CG2-CD1 3.49Å; T151-I192 WeakPolarHBondContact O-CA 3.4Å; M167-I192 HydrophobicContact CB-CB 4.28Å; M167-I192 HydrophobicContact CB-CG2 4.37Å; M167-I192 HydrophobicContact CE-CB 3.78Å; M167-I192 HydrophobicContact CE-CG2 3.46Å; M167-I192 VanDerWaalsContact CE-CG2 3.46Å |
| 193 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 97.9 | 173 | -61.1 | -175.7 | 0 | 0 | 0 | 109.1 | I125 V150 T151 D152 V191 V195 F224 L225 F228 | I125-L193 HydrophobicContact CB-CD2 3.97Å; I125-L193 HydrophobicContact CD1-CD2 4.34Å; I125-L193 HydrophobicContact CG2-CD2 4.48Å; I125-L193 CarbonylContact O-C 3.53Å; I125-L193 VanDerWaalsContact O-CA 3.3Å; I125-L193 WeakPolarHBondContact O-CA 3.5Å; V150-L193 HydrophobicContact CG2-CD1 3.78Å; V150-L193 HydrophobicContact CG2-CD2 4.25Å; V150-L193 HydrophobicContact CG2-CG 3.61Å; T151-L193 PolarHBondContact O-N 3.39Å; D152-L193 WeakPolarHBondContact CA-O 3.45Å; D152-L193 HydrophobicContact CB-CB 4.29Å; V191-L193 HydrophobicContact CG1-CD2 3.99Å; L193-V195 PolarHBondContact O-N 3.47Å; L193-F224 HydrophobicContact CB-CE1 4.16Å; L193-F224 HydrophobicContact CD1-CE1 4.5Å; L193-F224 HydrophobicContact CD2-CE1 4.19Å; L193-F224 HydrophobicContact CD2-CZ 4.18Å; L193-L225 HydrophobicContact CD1-CD1 3.48Å; L193-L225 VanDerWaalsContact CD1-CD1 3.48Å; L193-L225 HydrophobicContact CD1-CD2 3.99Å; L193-L225 HydrophobicContact CD1-CG 4.41Å; L193-F228 HydrophobicContact CD2-CD2 4.01Å; L193-F228 HydrophobicContact CD2-CE2 4.29Å; L193-F228 HydrophobicContact CD2-CG 4.36Å |
| 194 | D | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 6% | 0.059 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 100.7 | -178.2 | -167.5 | -9.5 | 0 | 0 | 0 | 110.7 | I125 S126 I127 C164 G196 G210 L211 | I125-D194 PolarHBondContact O-N 3.08Å; S126-D194 CarbonylContact C-O 3.18Å; S126-D194 VanDerWaalsContact CA-O 3.23Å; S126-D194 WeakPolarHBondContact CA-O 3.46Å; I127-D194 PolarHBondContact N-O 3.07Å; C164-D194 WeakPolarHBondContact CB-OD2 3.46Å; D194-G196 PolarHBondContact OD1-N 3.47Å; D194-G210 WeakPolarHBondContact OD2-CA 3.39Å; D194-L211 WeakPolarHBondContact O-CD1 3.19Å; D194-L211 PolarHBondContact OD2-N 2.78Å |
| 195 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -104.7 | 12.4 | 175.9 | -57 | 0 | 0 | 0 | 0 | 112.1 | I127 L193 R215 V216 Y221 F224 | I127-V195 HydrophobicContact CB-CB 4.32Å; I127-V195 HydrophobicContact CB-CG1 4.12Å; I127-V195 HydrophobicContact CD1-CG1 4.4Å; L193-V195 PolarHBondContact O-N 3.47Å; V195-R215 HydrophobicContact CG2-CB 4.39Å; V195-R215 HydrophobicContact CG2-CG 4.27Å; V195-R215 CarbonylContact O-C 3.51Å; V195-R215 VanDerWaalsContact O-CA 3.26Å; V195-R215 WeakPolarHBondContact O-CA 3.33Å; V195-V216 HydrophobicContact CB-CB 4.5Å; V195-V216 PolarHBondContact O-N 2.97Å; V195-Y221 HydrophobicContact CB-CD2 4.28Å; V195-Y221 HydrophobicContact CG1-CD2 3.9Å; V195-Y221 HydrophobicContact CG1-CE2 4.09Å; V195-Y221 HydrophobicContact CG2-CD2 3.98Å; V195-Y221 HydrophobicContact CG2-CE2 3.91Å; V195-F224 HydrophobicContact CG1-CD1 4Å; V195-F224 HydrophobicContact CG1-CE1 3.86Å | ||
| 196 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | 101.9 | -175.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D194 Q213 R215 | D194-G196 PolarHBondContact OD1-N 3.47Å; G196-Q213 CarbonylContact C-O 3.55Å; G196-Q213 VanDerWaalsContact CA-O 3.23Å; G196-Q213 WeakPolarHBondContact CA-O 3.48Å; G196-R215 VanDerWaalsContact O-CG 3.28Å; G196-R215 WeakPolarHBondContact O-CG 3.3Å | ||
| 197 | T | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -144.8 | 147.3 | 177.7 | -177.5 | 0 | 0 | 0 | 0 | 111 | D161 N199 L202 L203 Y208 Q213 | D161-T197 PolarHBondContact OD1-OG1 3.09Å; D161-T197 PolarHBondContact OD2-OG1 2.96Å; T197-N199 VanDerWaalsContact C-N 3.33Å; T197-N199 WeakPolarHBondContact OG1-CB 3.46Å; T197-N199 PolarHBondContact OG1-N 3.46Å; T197-N199 VanDerWaalsContact OG1-N 3.14Å; T197-L202 HydrophobicContact CG2-CB 4.25Å; T197-L203 HydrophobicContact CG2-CD2 3.87Å; T197-L203 HydrophobicContact CG2-CG 4.09Å; T197-Y208 HydrophobicContact CG2-CE1 3.93Å; T197-Q213 PolarHBondContact N-O 2.76Å | ||
| 198 | E | 98.7 | Very high | 98.7 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 36% | 0.364 | 20% | 0.204 | S | C | . | . | trans | -90.1 | -0.9 | 171 | -63.8 | -52.9 | 139.8 | 0 | 0 | 112.9 | D161 E200 R214 R215 | D161-E198 PolarHBondContact OD2-N 2.62Å; E198-E200 PolarHBondContact O-N 2.93Å; E198-R214 PolarHBondContact O-NH1 3.39Å; E198-R214 WeakPolarHBondContact OE1-CB 3.16Å; E198-R214 WeakPolarHBondContact OE2-CD 3.43Å; E198-R214 IonicContact OE2-CZ 3.03Å; E198-R214 IonicContact OE2-NE 3.97Å; E198-R214 IonicContact OE2-NH1 2.75Å; E198-R214 PolarHBondContact OE2-NH1 2.63Å; E198-R214 VanDerWaalsContact OE2-NH1 3.16Å; E198-R215 HydrophobicContact CG-CB 4.43Å; E198-R215 HydrophobicContact CG-CG 4.29Å; E198-R215 PolarHBondContact OE1-N 3.32Å | ||
| 199 | N | 98.6 | Very high | 98.6 | Very high | 36 Ų | 36 | 43 Ų | 43 | 19% | 0.193 | 22% | 0.217 | C | C | . | . | trans | -77.6 | 105.3 | -180 | -171.2 | -33.5 | 0 | 0 | 0 | 111.3 | D161 T197 E201 L202 L203 | D161-N199 WeakPolarHBondContact O-CB 3.25Å; D161-N199 PolarHBondContact O-ND2 3.03Å; T197-N199 VanDerWaalsContact C-N 3.33Å; T197-N199 WeakPolarHBondContact OG1-CB 3.46Å; T197-N199 PolarHBondContact OG1-N 3.46Å; T197-N199 VanDerWaalsContact OG1-N 3.14Å; N199-E201 PolarHBondContact O-N 2.95Å; N199-E201 WeakPolarHBondContact OD1-CB 3.36Å; N199-E201 PolarHBondContact OD1-N 2.91Å; N199-L202 HydrophobicContact CB-CB 4.18Å; N199-L202 HydrophobicContact CB-CD1 3.99Å; N199-L202 HydrophobicContact CB-CG 4.06Å; N199-L202 PolarHBondContact O-N 3.49Å; N199-L202 PolarHBondContact OD1-N 2.86Å; N199-L203 WeakPolarHBondContact O-CG 3.47Å; N199-L203 PolarHBondContact O-N 2.96Å | ||
| 200 | E | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 43.7 Ų | 43.7 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.7 | -34.4 | 178.6 | -60.9 | -60.6 | 156.4 | 0 | 0 | 114.1 | E198 K204 R214 | E198-E200 PolarHBondContact O-N 2.93Å; E200-K204 WeakPolarHBondContact O-CB 3.35Å; E200-K204 WeakPolarHBondContact O-CD 3.37Å; E200-K204 VanDerWaalsContact O-CG 3.25Å; E200-K204 WeakPolarHBondContact O-CG 3.44Å; E200-K204 PolarHBondContact O-N 3.46Å; E200-R214 IonicContact OE1-CZ 2.66Å; E200-R214 IonicContact OE1-NH1 2.71Å; E200-R214 PolarHBondContact OE1-NH1 3.27Å; E200-R214 IonicContact OE1-NH2 3.53Å; E200-R214 PolarHBondContact OE1-NH2 2.82Å; E200-R214 IonicContact OE2-CZ 2.77Å; E200-R214 IonicContact OE2-NH2 3.58Å; E200-R214 PolarHBondContact OE2-NH2 3.23Å |
| 201 | E | 98.4 | Very high | 98.6 | Very high | 156 Ų | 156 | 45.1 Ų | 45.1 | 73% | 0.729 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -68.6 | -45.1 | -178.8 | -59.3 | -175 | 165.4 | 0 | 0 | 109.5 | N199 K204 D205 | N199-E201 PolarHBondContact O-N 2.95Å; N199-E201 WeakPolarHBondContact OD1-CB 3.36Å; N199-E201 PolarHBondContact OD1-N 2.91Å; E201-K204 PolarHBondContact O-N 3.36Å; E201-D205 WeakPolarHBondContact O-CB 3.14Å; E201-D205 PolarHBondContact O-N 3.04Å |
| 202 | L | 98.6 | Very high | 98.6 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 176.5 | -64 | -177.8 | 0 | 0 | 0 | 112.5 | L162 T197 N199 K204 D205 Y208 | L162-L202 VanDerWaalsContact C-CD1 3.5Å; L162-L202 VanDerWaalsContact O-CD1 3.32Å; L162-L202 WeakPolarHBondContact O-CD1 3.36Å; T197-L202 HydrophobicContact CG2-CB 4.25Å; N199-L202 HydrophobicContact CB-CB 4.18Å; N199-L202 HydrophobicContact CB-CD1 3.99Å; N199-L202 HydrophobicContact CB-CG 4.06Å; N199-L202 PolarHBondContact O-N 3.49Å; N199-L202 PolarHBondContact OD1-N 2.86Å; L202-K204 PolarHBondContact O-N 3.04Å; L202-D205 PolarHBondContact O-N 3.13Å; L202-Y208 HydrophobicContact CB-CD1 4.3Å; L202-Y208 HydrophobicContact CB-CD2 3.98Å; L202-Y208 HydrophobicContact CB-CE1 4.46Å; L202-Y208 HydrophobicContact CB-CE2 4.17Å; L202-Y208 HydrophobicContact CB-CG 4.06Å; L202-Y208 HydrophobicContact CD1-CD2 4.34Å; L202-Y208 HydrophobicContact CD1-CE2 3.97Å; L202-Y208 HydrophobicContact CD2-CD2 4.03Å; L202-Y208 HydrophobicContact CD2-CE2 4.47Å; L202-Y208 HydrophobicContact CG-CD2 4.34Å; L202-Y208 HydrophobicContact CG-CE2 4.44Å; L202-Y208 WeakPolarHBondContact O-CB 3.46Å; L202-Y208 WeakPolarHBondContact O-CD1 3.16Å |
| 203 | L | 98.6 | Very high | 98.6 | Very high | 32 Ų | 32 | 53.5 Ų | 53.5 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -34.7 | 176.1 | -69.6 | 175 | 0 | 0 | 0 | 112 | T197 N199 R212 R214 | T197-L203 HydrophobicContact CG2-CD2 3.87Å; T197-L203 HydrophobicContact CG2-CG 4.09Å; N199-L203 WeakPolarHBondContact O-CG 3.47Å; N199-L203 PolarHBondContact O-N 2.96Å; L203-R212 PolarHBondContact O-NH1 3.49Å; L203-R212 VanDerWaalsContact O-NH1 3.17Å; L203-R214 VanDerWaalsContact CD1-CZ 3.41Å |
| 204 | K | 98.6 | Very high | 98.6 | Very high | 153 Ų | 153 | 58.4 Ų | 58.4 | 67% | 0.665 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -89.3 | -24.8 | -179.5 | -67.6 | 168.8 | -169.4 | 166.4 | 0 | 113.8 | E200 E201 L202 P206 | E200-K204 WeakPolarHBondContact O-CB 3.35Å; E200-K204 WeakPolarHBondContact O-CD 3.37Å; E200-K204 VanDerWaalsContact O-CG 3.25Å; E200-K204 WeakPolarHBondContact O-CG 3.44Å; E200-K204 PolarHBondContact O-N 3.46Å; E201-K204 PolarHBondContact O-N 3.36Å; L202-K204 PolarHBondContact O-N 3.04Å; K204-P206 WeakPolarHBondContact O-CD 3.31Å |
| 205 | D | 98.4 | Very high | 98.6 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | trans | -69.1 | 112.8 | -176.9 | 176.9 | -0.7 | 0 | 0 | 0 | 110.6 | E201 L202 L207 Y208 R212 | E201-D205 WeakPolarHBondContact O-CB 3.14Å; E201-D205 PolarHBondContact O-N 3.04Å; L202-D205 PolarHBondContact O-N 3.13Å; D205-L207 PolarHBondContact O-N 3.26Å; D205-L207 WeakPolarHBondContact OD1-CB 3.21Å; D205-L207 PolarHBondContact OD1-N 3.05Å; D205-Y208 WeakPolarHBondContact O-CB 3.19Å; D205-Y208 PolarHBondContact O-N 3.3Å; D205-R212 PolarHBondContact O-NH1 2.8Å; D205-R212 PolarHBondContact O-NH2 3Å | ||
| 206 | P | 98.1 | Very high | 98.6 | Very high | 112 Ų | 112 | 59.5 Ų | 59.5 | 73% | 0.727 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.3 | -178 | 28.6 | -37.1 | 0 | 0 | 0 | 114.4 | K204 R212 | K204-P206 WeakPolarHBondContact O-CD 3.31Å; P206-R212 PolarHBondContact O-NH2 3.31Å; P206-R212 VanDerWaalsContact O-NH2 3.07Å |
| 207 | L | 98.4 | Very high | 98.6 | Very high | 94 Ų | 94 | 64 Ų | 64 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -13.1 | 175.8 | -59.3 | -178.3 | 0 | 0 | 0 | 113.2 | S114 L115 D205 I209 | S114-L207 WeakPolarHBondContact CB-O 3.44Å; L115-L207 HydrophobicContact CD1-CD1 3.86Å; D205-L207 PolarHBondContact O-N 3.26Å; D205-L207 WeakPolarHBondContact OD1-CB 3.21Å; D205-L207 PolarHBondContact OD1-N 3.05Å; L207-I209 WeakPolarHBondContact O-CG2 3.4Å; L207-I209 PolarHBondContact O-N 3.47Å |
| 208 | Y | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 66.2 Ų | 66.2 | 4% | 0.035 | 33% | 0.329 | C | S | . | . | trans | -53.5 | 123.5 | 179.8 | -178.4 | -125.2 | 0 | 0 | 0 | 112 | S114 C164 T197 L202 D205 G210 R212 | S114-Y208 WeakPolarHBondContact OG-CA 3.45Å; C164-Y208 HydrophobicContact CB-CE2 4.26Å; C164-Y208 PolarHBondContact N-OH 3.43Å; T197-Y208 HydrophobicContact CG2-CE1 3.93Å; L202-Y208 HydrophobicContact CB-CD1 4.3Å; L202-Y208 HydrophobicContact CB-CD2 3.98Å; L202-Y208 HydrophobicContact CB-CE1 4.46Å; L202-Y208 HydrophobicContact CB-CE2 4.17Å; L202-Y208 HydrophobicContact CB-CG 4.06Å; L202-Y208 HydrophobicContact CD1-CD2 4.34Å; L202-Y208 HydrophobicContact CD1-CE2 3.97Å; L202-Y208 HydrophobicContact CD2-CD2 4.03Å; L202-Y208 HydrophobicContact CD2-CE2 4.47Å; L202-Y208 HydrophobicContact CG-CD2 4.34Å; L202-Y208 HydrophobicContact CG-CE2 4.44Å; L202-Y208 WeakPolarHBondContact O-CB 3.46Å; L202-Y208 WeakPolarHBondContact O-CD1 3.16Å; D205-Y208 WeakPolarHBondContact O-CB 3.19Å; D205-Y208 PolarHBondContact O-N 3.3Å; Y208-G210 VanDerWaalsContact CE1-C 3.48Å; Y208-R212 HydrophobicContact CD1-CG 4.17Å; Y208-R212 PolarHBondContact O-NH2 2.88Å | ||
| 209 | I | 98.1 | Very high | 98.4 | Very high | 64 Ų | 64 | 66.7 Ų | 66.7 | 33% | 0.328 | 34% | 0.341 | S | S | . | . | trans | -89.6 | -12.5 | -173.2 | 64.3 | 174.8 | 0 | 0 | 0 | 114.1 | Y113 S114 F117 L207 | Y113-I209 HydrophobicContact CD1-CD1 3.94Å; Y113-I209 HydrophobicContact CE1-CD1 4.3Å; S114-I209 PolarHBondContact OG-N 2.91Å; F117-I209 HydrophobicContact CD2-CD1 3.83Å; F117-I209 HydrophobicContact CE2-CD1 4.23Å; F117-I209 HydrophobicContact CG-CD1 4.4Å; L207-I209 WeakPolarHBondContact O-CG2 3.4Å; L207-I209 PolarHBondContact O-N 3.47Å | ||
| 210 | G | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 13% | 0.134 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -89.2 | -176.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | C164 D194 Y208 R212 | C164-G210 VanDerWaalsContact CB-CA 3.41Å; D194-G210 WeakPolarHBondContact OD2-CA 3.39Å; Y208-G210 VanDerWaalsContact CE1-C 3.48Å; G210-R212 PolarHBondContact O-N 3.15Å |
| 211 | L | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 65.8 Ų | 65.8 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | trans | -64.4 | 120.4 | 176.5 | -64.6 | -178.7 | 0 | 0 | 0 | 111.2 | I127 D194 Q213 | I127-L211 HydrophobicContact CG2-CD1 3.95Å; D194-L211 WeakPolarHBondContact O-CD1 3.19Å; D194-L211 PolarHBondContact OD2-N 2.78Å; L211-Q213 HydrophobicContact CB-CG 3.99Å; L211-Q213 PolarHBondContact O-N 3.01Å | ||
| 212 | R | 98.7 | Very high | 98.5 | Very high | 114 Ų | 114 | 60.3 Ų | 60.3 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -79.7 | 57.9 | 175.9 | -67.5 | 178.5 | -172.7 | -78.8 | -9.9 | 112.1 | L203 D205 P206 Y208 G210 | L203-R212 PolarHBondContact O-NH1 3.49Å; L203-R212 VanDerWaalsContact O-NH1 3.17Å; D205-R212 PolarHBondContact O-NH1 2.8Å; D205-R212 PolarHBondContact O-NH2 3Å; P206-R212 PolarHBondContact O-NH2 3.31Å; P206-R212 VanDerWaalsContact O-NH2 3.07Å; Y208-R212 HydrophobicContact CD1-CG 4.17Å; Y208-R212 PolarHBondContact O-NH2 2.88Å; G210-R212 PolarHBondContact O-N 3.15Å |
| 213 | Q | 98.8 | Very high | 98.5 | Very high | 63 Ų | 63 | 62.9 Ų | 62.9 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -144.2 | 163.5 | 176.1 | 65.5 | -179.8 | 75.9 | 0 | 0 | 110.4 | H128 G196 T197 L211 | H128-Q213 PolarHBondContact CE1-OE1 2.94Å; H128-Q213 PolarHBondContact NE2-OE1 3.28Å; G196-Q213 CarbonylContact C-O 3.55Å; G196-Q213 VanDerWaalsContact CA-O 3.23Å; G196-Q213 WeakPolarHBondContact CA-O 3.48Å; T197-Q213 PolarHBondContact N-O 2.76Å; L211-Q213 HydrophobicContact CB-CG 3.99Å; L211-Q213 PolarHBondContact O-N 3.01Å |
| 214 | R | 98.8 | Very high | 98.5 | Very high | 102 Ų | 102 | 61.4 Ų | 61.4 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 157.2 | 170.6 | -61.9 | -69.9 | 165.5 | 176 | 0.1 | 111.3 | E198 E200 L203 V216 | E198-R214 PolarHBondContact O-NH1 3.39Å; E198-R214 WeakPolarHBondContact OE1-CB 3.16Å; E198-R214 WeakPolarHBondContact OE2-CD 3.43Å; E198-R214 IonicContact OE2-CZ 3.03Å; E198-R214 IonicContact OE2-NE 3.97Å; E198-R214 IonicContact OE2-NH1 2.75Å; E198-R214 PolarHBondContact OE2-NH1 2.63Å; E198-R214 VanDerWaalsContact OE2-NH1 3.16Å; E200-R214 IonicContact OE1-CZ 2.66Å; E200-R214 IonicContact OE1-NH1 2.71Å; E200-R214 PolarHBondContact OE1-NH1 3.27Å; E200-R214 IonicContact OE1-NH2 3.53Å; E200-R214 PolarHBondContact OE1-NH2 2.82Å; E200-R214 IonicContact OE2-CZ 2.77Å; E200-R214 IonicContact OE2-NH2 3.58Å; E200-R214 PolarHBondContact OE2-NH2 3.23Å; L203-R214 VanDerWaalsContact CD1-CZ 3.41Å; R214-V216 PolarHBondContact O-N 2.86Å |
| 215 | R | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 54.1 Ų | 54.1 | 5% | 0.045 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 127.5 | 179.6 | -74.1 | -176.6 | 174.5 | -85.1 | -4.6 | 110.6 | D152 G153 E154 D161 V195 G196 E198 | D152-R215 VanDerWaalsContact O-CZ 3.31Å; D152-R215 PolarHBondContact O-NH1 2.89Å; D152-R215 PolarHBondContact O-NH2 2.82Å; D152-R215 IonicContact OD2-NH1 3.35Å; G153-R215 VanDerWaalsContact C-NH2 3.33Å; G153-R215 PolarHBondContact O-NH2 2.76Å; E154-R215 VanDerWaalsContact CA-NH2 3.32Å; D161-R215 IonicContact OD1-CZ 3.67Å; D161-R215 IonicContact OD1-NE 2.71Å; D161-R215 PolarHBondContact OD1-NE 2.95Å; D161-R215 IonicContact OD1-NH2 3.71Å; D161-R215 PolarHBondContact OD1-NH2 3.25Å; D161-R215 IonicContact OD2-CZ 3.03Å; D161-R215 IonicContact OD2-NE 3.89Å; D161-R215 PolarHBondContact OD2-NE 2.87Å; D161-R215 IonicContact OD2-NH2 3.45Å; V195-R215 HydrophobicContact CG2-CB 4.39Å; V195-R215 HydrophobicContact CG2-CG 4.27Å; V195-R215 CarbonylContact O-C 3.51Å; V195-R215 VanDerWaalsContact O-CA 3.26Å; V195-R215 WeakPolarHBondContact O-CA 3.33Å; G196-R215 VanDerWaalsContact O-CG 3.28Å; G196-R215 WeakPolarHBondContact O-CG 3.3Å; E198-R215 HydrophobicContact CG-CB 4.43Å; E198-R215 HydrophobicContact CG-CG 4.29Å; E198-R215 PolarHBondContact OE1-N 3.32Å |
| 216 | V | 98.7 | Very high | 98.5 | Very high | 22 Ų | 22 | 53.5 Ų | 53.5 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 135.9 | 166.7 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | I127 V195 R214 E220 | I127-V216 HydrophobicContact CD1-CG1 4.39Å; I127-V216 HydrophobicContact CG1-CB 4.08Å; I127-V216 HydrophobicContact CG1-CG1 4.11Å; I127-V216 HydrophobicContact CG1-CG2 4.03Å; I127-V216 HydrophobicContact CG2-CG2 4.12Å; V195-V216 HydrophobicContact CB-CB 4.5Å; V195-V216 PolarHBondContact O-N 2.97Å; R214-V216 PolarHBondContact O-N 2.86Å; V216-E220 HydrophobicContact CG1-CB 3.8Å; V216-E220 HydrophobicContact CG1-CG 3.79Å; V216-E220 WeakPolarHBondContact CG1-OE2 3.47Å |
| 217 | R | 98.1 | Very high | 98.6 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 36% | 0.362 | 25% | 0.254 | S | S | . | . | trans | -133.6 | 174.2 | -176 | -56 | -60.9 | -178 | 168.7 | 14.6 | 110.9 | E154 | E154-R217 IonicContact OE1-CZ 3.86Å; E154-R217 VanDerWaalsContact OE1-CZ 3.31Å; E154-R217 IonicContact OE1-NH1 2.85Å; E154-R217 PolarHBondContact OE1-NH1 3.03Å; E154-R217 IonicContact OE1-NH2 2.74Å; E154-R217 PolarHBondContact OE1-NH2 2.73Å; E154-R217 IonicContact OE2-CZ 3.23Å; E154-R217 IonicContact OE2-NH1 2.77Å; E154-R217 PolarHBondContact OE2-NH1 3.2Å; E154-R217 IonicContact OE2-NH2 2.81Å | ||
| 218 | G | 97.1 | Very high | 98.6 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 47% | 0.474 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | -151.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E220 Y221 D222 | G218-E220 PolarHBondContact O-N 2.91Å; G218-Y221 PolarHBondContact O-N 3.06Å; G218-D222 PolarHBondContact O-N 3.37Å; G218-D222 VanDerWaalsContact O-N 3.11Å |
| 219 | S | 98.1 | Very high | 98.6 | Very high | 88 Ų | 88 | 44.7 Ų | 44.7 | 62% | 0.615 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58 | -34.6 | -175.4 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | Y221 D222 D223 | S219-Y221 PolarHBondContact O-N 3.12Å; S219-D222 PolarHBondContact O-N 3.45Å; S219-D222 VanDerWaalsContact O-N 3.16Å; S219-D223 WeakPolarHBondContact O-CB 3.35Å; S219-D223 PolarHBondContact O-N 3.09Å |
| 220 | E | 98.6 | Very high | 98.6 | Very high | 97 Ų | 97 | 47.1 Ų | 47.1 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.9 | -42 | -179.3 | -169.3 | 178 | -178.3 | 0 | 0 | 112.1 | I127 R130 V216 G218 F224 | I127-E220 HydrophobicContact CD1-CG 4.35Å; R130-E220 PolarHBondContact NH1-O 2.83Å; V216-E220 HydrophobicContact CG1-CB 3.8Å; V216-E220 HydrophobicContact CG1-CG 3.79Å; V216-E220 WeakPolarHBondContact CG1-OE2 3.47Å; G218-E220 PolarHBondContact O-N 2.91Å; E220-F224 WeakPolarHBondContact O-CB 3.15Å; E220-F224 PolarHBondContact O-N 2.9Å |
| 221 | Y | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -42.9 | 171.5 | 177.9 | -84.4 | 0 | 0 | 0 | 111.4 | D152 V195 G218 S219 F224 L225 F247 L255 | D152-Y221 PolarHBondContact OD2-OH 3.08Å; V195-Y221 HydrophobicContact CB-CD2 4.28Å; V195-Y221 HydrophobicContact CG1-CD2 3.9Å; V195-Y221 HydrophobicContact CG1-CE2 4.09Å; V195-Y221 HydrophobicContact CG2-CD2 3.98Å; V195-Y221 HydrophobicContact CG2-CE2 3.91Å; G218-Y221 PolarHBondContact O-N 3.06Å; S219-Y221 PolarHBondContact O-N 3.12Å; Y221-F224 PolarHBondContact O-N 2.78Å; Y221-L225 HydrophobicContact CD1-CD2 4.04Å; Y221-L225 HydrophobicContact CD2-CD2 4.28Å; Y221-L225 HydrophobicContact CE1-CD2 3.69Å; Y221-L225 HydrophobicContact CE1-CG 3.99Å; Y221-L225 HydrophobicContact CE2-CD2 3.96Å; Y221-L225 HydrophobicContact CG-CD2 4.33Å; Y221-L225 WeakPolarHBondContact O-CD2 3.45Å; Y221-L225 PolarHBondContact O-N 3.48Å; Y221-F247 WeakPolarHBondContact OH-CD1 3.35Å; Y221-F247 WeakPolarHBondContact OH-CE1 3.31Å; Y221-L255 HydrophobicContact CE1-CD1 4.43Å |
| 222 | D | 98.6 | Very high | 98.6 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -47 | -175.4 | -71.9 | -12.5 | 0 | 0 | 0 | 112.8 | G218 S219 F224 L225 D226 R254 | G218-D222 PolarHBondContact O-N 3.37Å; G218-D222 VanDerWaalsContact O-N 3.11Å; S219-D222 PolarHBondContact O-N 3.45Å; S219-D222 VanDerWaalsContact O-N 3.16Å; D222-F224 VanDerWaalsContact C-N 3.29Å; D222-F224 PolarHBondContact O-N 3.12Å; D222-L225 PolarHBondContact O-N 3.25Å; D222-D226 PolarHBondContact O-N 3.41Å; D222-R254 IonicContact OD1-CZ 2.67Å; D222-R254 IonicContact OD1-NH1 3.65Å; D222-R254 PolarHBondContact OD1-NH1 3.49Å; D222-R254 IonicContact OD1-NH2 3.85Å; D222-R254 PolarHBondContact OD1-NH2 2.95Å; D222-R254 IonicContact OD2-CZ 2.62Å; D222-R254 IonicContact OD2-NH1 3.93Å; D222-R254 PolarHBondContact OD2-NH1 3.24Å; D222-R254 VanDerWaalsContact OD2-NH1 3.17Å |
| 223 | D | 98.8 | Very high | 98.6 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 37% | 0.369 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.3 | -31 | 177.8 | -61 | -18 | 0 | 0 | 0 | 111.4 | R130 S219 D226 E227 | R130-D223 VanDerWaalsContact CZ-CB 3.44Å; R130-D223 IonicContact CZ-OD2 2.71Å; R130-D223 IonicContact NH1-OD2 2.72Å; R130-D223 IonicContact NH2-OD2 3.96Å; R130-D223 PolarHBondContact NH2-OD2 3.18Å; S219-D223 WeakPolarHBondContact O-CB 3.35Å; S219-D223 PolarHBondContact O-N 3.09Å; D223-D226 PolarHBondContact O-N 3.47Å; D223-E227 PolarHBondContact O-N 2.52Å |
| 224 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 173.5 | 171.2 | -113.8 | 0 | 0 | 0 | 111.4 | I125 S126 I127 R130 I133 L193 V195 E220 Y221 D222 D226 E227 F228 | I125-F224 HydrophobicContact CG2-CE2 3.96Å; I125-F224 HydrophobicContact CG2-CZ 3.83Å; S126-F224 WeakPolarHBondContact O-CE2 3.38Å; S126-F224 VanDerWaalsContact O-CZ 3.31Å; S126-F224 WeakPolarHBondContact O-CZ 3.47Å; I127-F224 HydrophobicContact CD1-CB 3.54Å; I127-F224 HydrophobicContact CD1-CD1 3.82Å; I127-F224 HydrophobicContact CD1-CD2 4.1Å; I127-F224 HydrophobicContact CD1-CG 3.55Å; R130-F224 HydrophobicContact CB-CD2 4.25Å; I133-F224 HydrophobicContact CD1-CD2 3.86Å; I133-F224 HydrophobicContact CD1-CE2 3.6Å; I133-F224 HydrophobicContact CD1-CZ 4.43Å; I133-F224 HydrophobicContact CG1-CE2 4.15Å; L193-F224 HydrophobicContact CB-CE1 4.16Å; L193-F224 HydrophobicContact CD1-CE1 4.5Å; L193-F224 HydrophobicContact CD2-CE1 4.19Å; L193-F224 HydrophobicContact CD2-CZ 4.18Å; V195-F224 HydrophobicContact CG1-CD1 4Å; V195-F224 HydrophobicContact CG1-CE1 3.86Å; E220-F224 WeakPolarHBondContact O-CB 3.15Å; E220-F224 PolarHBondContact O-N 2.9Å; Y221-F224 PolarHBondContact O-N 2.78Å; D222-F224 VanDerWaalsContact C-N 3.29Å; D222-F224 PolarHBondContact O-N 3.12Å; F224-D226 VanDerWaalsContact C-N 3.34Å; F224-E227 PolarHBondContact O-N 2.81Å; F224-F228 PolarHBondContact O-N 2.94Å |
| 225 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.6 | -35.9 | 172.7 | -92.5 | -68.2 | 0 | 0 | 0 | 111.8 | L193 Y221 D222 F228 M229 F244 L255 | L193-L225 HydrophobicContact CD1-CD1 3.48Å; L193-L225 VanDerWaalsContact CD1-CD1 3.48Å; L193-L225 HydrophobicContact CD1-CD2 3.99Å; L193-L225 HydrophobicContact CD1-CG 4.41Å; Y221-L225 HydrophobicContact CD1-CD2 4.04Å; Y221-L225 HydrophobicContact CD2-CD2 4.28Å; Y221-L225 HydrophobicContact CE1-CD2 3.69Å; Y221-L225 HydrophobicContact CE1-CG 3.99Å; Y221-L225 HydrophobicContact CE2-CD2 3.96Å; Y221-L225 HydrophobicContact CG-CD2 4.33Å; Y221-L225 WeakPolarHBondContact O-CD2 3.45Å; Y221-L225 PolarHBondContact O-N 3.48Å; D222-L225 PolarHBondContact O-N 3.25Å; L225-F228 PolarHBondContact O-N 3.01Å; L225-M229 VanDerWaalsContact O-CG 3.28Å; L225-M229 WeakPolarHBondContact O-CG 3.5Å; L225-M229 PolarHBondContact O-N 3.23Å; L225-M229 VanDerWaalsContact O-N 3.08Å; L225-F244 HydrophobicContact CD1-CE1 4.17Å; L225-L255 HydrophobicContact CB-CD2 4.3Å; L225-L255 HydrophobicContact CD1-CD1 4.41Å; L225-L255 HydrophobicContact CG-CD1 4.39Å; L225-L255 HydrophobicContact CG-CD2 4.21Å |
| 226 | D | 98.9 | Very high | 98.6 | Very high | 41 Ų | 41 | 41.5 Ų | 41.5 | 22% | 0.219 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -50.3 | 173.2 | -75.9 | -32.4 | 0 | 0 | 0 | 111.1 | D222 D223 F224 F228 M229 E230 K258 Y259 | D222-D226 PolarHBondContact O-N 3.41Å; D223-D226 PolarHBondContact O-N 3.47Å; F224-D226 VanDerWaalsContact C-N 3.34Å; D226-F228 PolarHBondContact O-N 2.7Å; D226-M229 PolarHBondContact O-N 3.15Å; D226-M229 VanDerWaalsContact O-N 3.14Å; D226-E230 WeakPolarHBondContact O-CB 3.49Å; D226-E230 WeakPolarHBondContact O-CG 3.45Å; D226-E230 PolarHBondContact O-N 3.32Å; D226-K258 WeakPolarHBondContact OD1-CE 3.39Å; D226-K258 IonicContact OD1-NZ 3.9Å; D226-K258 PolarHBondContact OD1-NZ 3.21Å; D226-K258 IonicContact OD2-NZ 2.86Å; D226-K258 PolarHBondContact OD2-NZ 3.22Å; D226-Y259 PolarHBondContact N-OH 2.7Å; D226-Y259 VanDerWaalsContact OD1-CE1 3.3Å; D226-Y259 WeakPolarHBondContact OD1-CE1 3.21Å; D226-Y259 PolarHBondContact OD1-OH 3.47Å |
| 227 | E | 98.9 | Very high | 98.6 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -38.7 | 176.8 | -173.6 | -167.4 | 161 | 0 | 0 | 111.8 | R130 G131 H132 I133 D223 F224 S231 | R130-E227 WeakPolarHBondContact CA-OE2 3.32Å; R130-E227 WeakPolarHBondContact CG-OE2 3.5Å; G131-E227 VanDerWaalsContact C-OE1 3.26Å; G131-E227 VanDerWaalsContact CA-OE1 3.27Å; G131-E227 WeakPolarHBondContact CA-OE1 3.27Å; G131-E227 PolarHBondContact N-OE1 3.43Å; G131-E227 PolarHBondContact N-OE2 3.08Å; H132-E227 PolarHBondContact N-OE1 3.37Å; I133-E227 HydrophobicContact CB-CG 4.33Å; I133-E227 HydrophobicContact CD1-CB 3.96Å; I133-E227 HydrophobicContact CD1-CG 3.82Å; I133-E227 HydrophobicContact CG1-CG 4.2Å; I133-E227 WeakPolarHBondContact CG1-OE1 3.35Å; I133-E227 PolarHBondContact N-OE1 3.28Å; D223-E227 PolarHBondContact O-N 2.52Å; F224-E227 PolarHBondContact O-N 2.81Å; E227-S231 WeakPolarHBondContact O-CB 3.44Å; E227-S231 PolarHBondContact O-N 3.32Å; E227-S231 PolarHBondContact O-OG 3.36Å |
| 228 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -50.6 | 175.9 | 171 | -101.6 | 0 | 0 | 0 | 111.5 | I125 I133 I148 V150 V191 L193 F224 L225 D226 E230 S231 V232 I242 | I125-F228 HydrophobicContact CD1-CD2 3.86Å; I125-F228 HydrophobicContact CD1-CE2 3.86Å; I133-F228 HydrophobicContact CD1-CB 3.94Å; I133-F228 HydrophobicContact CG2-CD2 4.47Å; I148-F228 HydrophobicContact CG2-CZ 4.29Å; V150-F228 HydrophobicContact CB-CE1 4.32Å; V150-F228 HydrophobicContact CB-CZ 4.13Å; V150-F228 HydrophobicContact CG1-CE1 4.1Å; V150-F228 HydrophobicContact CG1-CZ 4.39Å; V150-F228 HydrophobicContact CG2-CE1 4.15Å; V150-F228 HydrophobicContact CG2-CZ 3.96Å; V191-F228 HydrophobicContact CG1-CE2 3.92Å; V191-F228 HydrophobicContact CG1-CZ 4.31Å; V191-F228 HydrophobicContact CG2-CE2 4.5Å; L193-F228 HydrophobicContact CD2-CD2 4.01Å; L193-F228 HydrophobicContact CD2-CE2 4.29Å; L193-F228 HydrophobicContact CD2-CG 4.36Å; F224-F228 PolarHBondContact O-N 2.94Å; L225-F228 PolarHBondContact O-N 3.01Å; D226-F228 PolarHBondContact O-N 2.7Å; F228-E230 VanDerWaalsContact C-N 3.34Å; F228-E230 PolarHBondContact O-N 3.36Å; F228-S231 PolarHBondContact O-N 3.22Å; F228-V232 HydrophobicContact CD2-CG2 3.95Å; F228-V232 HydrophobicContact CE1-CG2 4.3Å; F228-V232 HydrophobicContact CE2-CG2 3.54Å; F228-V232 HydrophobicContact CG-CG2 4.49Å; F228-V232 HydrophobicContact CZ-CG2 3.75Å; F228-V232 WeakPolarHBondContact O-CB 3.11Å; F228-V232 VanDerWaalsContact O-CG2 3.29Å; F228-V232 WeakPolarHBondContact O-CG2 3.27Å; F228-V232 PolarHBondContact O-N 2.63Å; F228-I242 HydrophobicContact CE1-CG2 4.2Å |
| 229 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | -179.5 | -64.4 | -62.6 | -69.5 | 0 | 0 | 111.6 | L225 D226 S233 I242 F244 Y259 Y263 T265 | L225-M229 VanDerWaalsContact O-CG 3.28Å; L225-M229 WeakPolarHBondContact O-CG 3.5Å; L225-M229 PolarHBondContact O-N 3.23Å; L225-M229 VanDerWaalsContact O-N 3.08Å; D226-M229 PolarHBondContact O-N 3.15Å; D226-M229 VanDerWaalsContact O-N 3.14Å; M229-S233 VanDerWaalsContact O-CB 3.29Å; M229-S233 WeakPolarHBondContact O-CB 3.34Å; M229-S233 PolarHBondContact O-N 2.91Å; M229-S233 VanDerWaalsContact O-N 3.09Å; M229-S233 PolarHBondContact O-OG 2.64Å; M229-I242 HydrophobicContact CE-CB 4.46Å; M229-I242 HydrophobicContact CE-CD1 3.64Å; M229-I242 HydrophobicContact CE-CG2 4.4Å; M229-I242 HydrophobicContact SD-CD1 3.81Å; M229-I242 HydrophobicContact SD-CG2 4.05Å; M229-F244 HydrophobicContact CE-CE2 4.35Å; M229-F244 HydrophobicContact CE-CZ 4.39Å; M229-F244 HydrophobicContact SD-CE2 4.21Å; M229-F244 HydrophobicContact SD-CZ 3.74Å; M229-Y259 HydrophobicContact CE-CD2 4.08Å; M229-Y259 HydrophobicContact CE-CG 3.99Å; M229-Y259 HydrophobicContact CG-CD1 4.28Å; M229-Y259 HydrophobicContact CG-CD2 3.99Å; M229-Y259 HydrophobicContact CG-CE1 4.1Å; M229-Y259 HydrophobicContact CG-CE2 3.76Å; M229-Y259 HydrophobicContact CG-CG 4.26Å; M229-Y259 HydrophobicContact SD-CD2 4.21Å; M229-Y259 HydrophobicContact SD-CE2 4.39Å; M229-Y263 HydrophobicContact CB-CD2 4.21Å; M229-Y263 HydrophobicContact CB-CE1 4.3Å; M229-Y263 HydrophobicContact CB-CE2 3.7Å; M229-Y263 HydrophobicContact CE-CD1 4.28Å; M229-Y263 HydrophobicContact CE-CD2 3.49Å; M229-Y263 VanDerWaalsContact CE-CD2 3.49Å; M229-Y263 HydrophobicContact CE-CE2 4.19Å; M229-Y263 HydrophobicContact CE-CG 3.53Å; M229-Y263 HydrophobicContact CG-CE2 4.43Å; M229-T265 HydrophobicContact CE-CG2 4.47Å |
| 230 | E | 98.9 | Very high | 98.7 | Very high | 114 Ų | 114 | 38.7 Ų | 38.7 | 53% | 0.533 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.5 | -48.5 | 176.4 | -71.5 | 176.2 | -176.7 | 0 | 0 | 111.7 | D226 F228 V232 S233 S234 | D226-E230 WeakPolarHBondContact O-CB 3.49Å; D226-E230 WeakPolarHBondContact O-CG 3.45Å; D226-E230 PolarHBondContact O-N 3.32Å; F228-E230 VanDerWaalsContact C-N 3.34Å; F228-E230 PolarHBondContact O-N 3.36Å; E230-V232 PolarHBondContact O-N 3.06Å; E230-S233 PolarHBondContact O-N 3.49Å; E230-S233 PolarHBondContact O-OG 3.21Å; E230-S233 VanDerWaalsContact O-OG 3.07Å; E230-S234 WeakPolarHBondContact O-CB 3.39Å; E230-S234 PolarHBondContact O-N 3.2Å |
| 231 | S | 98.9 | Very high | 98.7 | Very high | 18 Ų | 18 | 34.1 Ų | 34.1 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | -178.1 | -64.5 | 0 | 0 | 0 | 0 | 112 | E227 F228 K235 | E227-S231 WeakPolarHBondContact O-CB 3.44Å; E227-S231 PolarHBondContact O-N 3.32Å; E227-S231 PolarHBondContact O-OG 3.36Å; F228-S231 PolarHBondContact O-N 3.22Å; S231-K235 WeakPolarHBondContact O-CB 3.35Å; S231-K235 PolarHBondContact O-N 3.47Å |
| 232 | V | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -51.4 | 177.8 | 164 | 0 | 0 | 0 | 0 | 111 | L137 I148 F228 E230 S234 K235 Y236 I242 | L137-V232 HydrophobicContact CD1-CG2 4.19Å; L137-V232 HydrophobicContact CD2-CG2 4.31Å; I148-V232 HydrophobicContact CD1-CB 4.32Å; I148-V232 HydrophobicContact CD1-CG1 3.28Å; I148-V232 HydrophobicContact CD1-CG2 4.02Å; F228-V232 HydrophobicContact CD2-CG2 3.95Å; F228-V232 HydrophobicContact CE1-CG2 4.3Å; F228-V232 HydrophobicContact CE2-CG2 3.54Å; F228-V232 HydrophobicContact CG-CG2 4.49Å; F228-V232 HydrophobicContact CZ-CG2 3.75Å; F228-V232 WeakPolarHBondContact O-CB 3.11Å; F228-V232 VanDerWaalsContact O-CG2 3.29Å; F228-V232 WeakPolarHBondContact O-CG2 3.27Å; F228-V232 PolarHBondContact O-N 2.63Å; E230-V232 PolarHBondContact O-N 3.06Å; V232-S234 VanDerWaalsContact C-N 3.33Å; V232-S234 PolarHBondContact O-N 2.78Å; V232-K235 PolarHBondContact O-N 2.59Å; V232-Y236 HydrophobicContact CG1-CD2 4.24Å; V232-Y236 PolarHBondContact O-N 2.83Å; V232-I242 HydrophobicContact CB-CD1 4.26Å; V232-I242 HydrophobicContact CG1-CD1 3.59Å; V232-I242 HydrophobicContact CG1-CG1 3.95Å |
| 233 | S | 98.4 | Very high | 98.8 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.1 | -31.8 | -177.8 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | M229 E230 G237 Y263 | M229-S233 VanDerWaalsContact O-CB 3.29Å; M229-S233 WeakPolarHBondContact O-CB 3.34Å; M229-S233 PolarHBondContact O-N 2.91Å; M229-S233 VanDerWaalsContact O-N 3.09Å; M229-S233 PolarHBondContact O-OG 2.64Å; E230-S233 PolarHBondContact O-N 3.49Å; E230-S233 PolarHBondContact O-OG 3.21Å; E230-S233 VanDerWaalsContact O-OG 3.07Å; S233-G237 CarbonylContact O-C 3.54Å; S233-G237 WeakPolarHBondContact O-CA 3.33Å; S233-G237 PolarHBondContact O-N 3.36Å; S233-Y263 WeakPolarHBondContact OG-CE1 3.08Å |
| 234 | S | 98.7 | Very high | 98.8 | Very high | 103 Ų | 103 | 29 Ų | 29 | 72% | 0.72 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -67.5 | -41.3 | 172.8 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | E230 V232 | E230-S234 WeakPolarHBondContact O-CB 3.39Å; E230-S234 PolarHBondContact O-N 3.2Å; V232-S234 VanDerWaalsContact C-N 3.33Å; V232-S234 PolarHBondContact O-N 2.78Å |
| 235 | K | 98.6 | Very high | 98.7 | Very high | 63 Ų | 63 | 29.1 Ų | 29.1 | 27% | 0.274 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -77.6 | -45.3 | -178.2 | -175.2 | 179.6 | 168.2 | 73.4 | 0 | 112.4 | L137 N138 S231 V232 | L137-K235 HydrophobicContact CB-CD 3.48Å; L137-K235 VanDerWaalsContact CB-CD 3.48Å; L137-K235 HydrophobicContact CD1-CB 4.34Å; L137-K235 HydrophobicContact CD1-CD 4.12Å; L137-K235 HydrophobicContact CG-CD 4.4Å; L137-K235 VanDerWaalsContact O-CE 3.29Å; L137-K235 WeakPolarHBondContact O-CE 3.31Å; N138-K235 PolarHBondContact OD1-NZ 2.82Å; S231-K235 WeakPolarHBondContact O-CB 3.35Å; S231-K235 PolarHBondContact O-N 3.47Å; V232-K235 PolarHBondContact O-N 2.59Å |
| 236 | Y | 98.8 | Very high | 98.6 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -106.2 | -3.2 | -170.9 | -55.4 | -56.8 | 0 | 0 | 0 | 114 | L137 D143 I145 I148 L189 V232 | L137-Y236 HydrophobicContact CD2-CE2 4.14Å; D143-Y236 WeakPolarHBondContact O-CD1 3.15Å; I145-Y236 HydrophobicContact CB-CD1 3.72Å; I145-Y236 HydrophobicContact CB-CD2 3.99Å; I145-Y236 HydrophobicContact CB-CE1 3.88Å; I145-Y236 HydrophobicContact CB-CE2 4.14Å; I145-Y236 HydrophobicContact CB-CG 3.77Å; I145-Y236 HydrophobicContact CG1-CD1 3.92Å; I145-Y236 HydrophobicContact CG1-CD2 4.43Å; I145-Y236 HydrophobicContact CG1-CE1 3.53Å; I145-Y236 HydrophobicContact CG1-CE2 4.1Å; I145-Y236 HydrophobicContact CG1-CG 4.35Å; I145-Y236 HydrophobicContact CG2-CD2 4.42Å; I148-Y236 HydrophobicContact CD1-CD2 4.32Å; L189-Y236 HydrophobicContact CD2-CE2 3.97Å; V232-Y236 HydrophobicContact CG1-CD2 4.24Å; V232-Y236 PolarHBondContact O-N 2.83Å |
| 237 | G | 98.5 | Very high | 98.6 | Very high | 31 Ų | 31 | 27.4 Ų | 27.4 | 32% | 0.32 | 15% | 0.153 | S | C | . | . | trans | 90 | 156.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S233 N239 C240 | S233-G237 CarbonylContact O-C 3.54Å; S233-G237 WeakPolarHBondContact O-CA 3.33Å; S233-G237 PolarHBondContact O-N 3.36Å; G237-N239 PolarHBondContact O-N 2.74Å; G237-N239 VanDerWaalsContact O-N 3.09Å; G237-C240 VanDerWaalsContact O-CB 3.26Å; G237-C240 WeakPolarHBondContact O-CB 3.32Å; G237-C240 PolarHBondContact O-N 3.16Å | ||
| 238 | M | 98.4 | Very high | 98.4 | Very high | 89 Ų | 89 | 26.8 Ų | 26.8 | 44% | 0.438 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -17.7 | -178.3 | -65.2 | -57.8 | -60.2 | 0 | 0 | 114.7 | C240 Q262 Y263 | M238-C240 VanDerWaalsContact C-N 3.32Å; M238-Q262 WeakPolarHBondContact CE-O 3.22Å; M238-Y263 HydrophobicContact CE-CD1 3.7Å; M238-Y263 HydrophobicContact CE-CE1 3.89Å; M238-Y263 HydrophobicContact SD-CD1 4.46Å; M238-Y263 HydrophobicContact SD-CE1 4.35Å |
| 239 | N | 98.3 | Very high | 97.9 | Very high | 68 Ų | 68 | 29.6 Ų | 29.6 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -2.6 | 176 | -74.6 | -11.7 | 0 | 0 | 0 | 112.9 | G237 L241 T528 | G237-N239 PolarHBondContact O-N 2.74Å; G237-N239 VanDerWaalsContact O-N 3.09Å; N239-L241 PolarHBondContact O-N 3.49Å; N239-T528 PolarHBondContact ND2-OG1 3.32Å |
| 240 | C | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | trans | -65.8 | 120.3 | 172.6 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | G237 M238 | G237-C240 VanDerWaalsContact O-CB 3.26Å; G237-C240 WeakPolarHBondContact O-CB 3.32Å; G237-C240 PolarHBondContact O-N 3.16Å; M238-C240 VanDerWaalsContact C-N 3.32Å | ||
| 241 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 129.8 | 174.6 | 173.1 | 61.8 | 0 | 0 | 0 | 109.8 | K146 A147 I148 Y177 N239 C264 F266 A462 V465 V466 I473 | K146-L241 WeakPolarHBondContact O-CB 3.41Å; K146-L241 PolarHBondContact O-N 2.6Å; A147-L241 CarbonylContact C-O 3.57Å; A147-L241 WeakPolarHBondContact CA-O 3.45Å; A147-L241 HydrophobicContact CB-CB 4.42Å; A147-L241 HydrophobicContact CB-CD2 4.38Å; I148-L241 PolarHBondContact N-O 3.41Å; Y177-L241 HydrophobicContact CE1-CD2 4.12Å; N239-L241 PolarHBondContact O-N 3.49Å; L241-C264 WeakPolarHBondContact CA-O 3.35Å; L241-F266 HydrophobicContact CD1-CD1 3.8Å; L241-F266 HydrophobicContact CD1-CE1 3.86Å; L241-F266 HydrophobicContact CD2-CE1 4.25Å; L241-F266 HydrophobicContact CG-CE1 4.44Å; L241-A462 HydrophobicContact CD2-CB 3.54Å; L241-V465 HydrophobicContact CD1-CG1 4.37Å; L241-V466 HydrophobicContact CB-CG2 4.23Å; L241-V466 HydrophobicContact CD2-CG2 4.44Å; L241-I473 HydrophobicContact CD1-CD1 3.57Å |
| 242 | I | 98.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 109.6 | 173.5 | -55.9 | 169 | 0 | 0 | 0 | 108.4 | V150 F228 M229 V232 F244 C264 T265 F266 | V150-I242 HydrophobicContact CG1-CG2 4.07Å; F228-I242 HydrophobicContact CE1-CG2 4.2Å; M229-I242 HydrophobicContact CE-CB 4.46Å; M229-I242 HydrophobicContact CE-CD1 3.64Å; M229-I242 HydrophobicContact CE-CG2 4.4Å; M229-I242 HydrophobicContact SD-CD1 3.81Å; M229-I242 HydrophobicContact SD-CG2 4.05Å; V232-I242 HydrophobicContact CB-CD1 4.26Å; V232-I242 HydrophobicContact CG1-CD1 3.59Å; V232-I242 HydrophobicContact CG1-CG1 3.95Å; I242-F244 HydrophobicContact CG2-CE2 4.35Å; I242-C264 PolarHBondContact N-O 2.54Å; I242-T265 WeakPolarHBondContact O-CA 3.08Å; I242-T265 WeakPolarHBondContact O-CB 3.27Å; I242-T265 PolarHBondContact O-OG1 2.78Å; I242-F266 PolarHBondContact O-N 2.86Å |
| 243 | Q | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124.5 | 176.5 | -167.2 | -153.2 | -76.8 | 0 | 0 | 110.3 | I148 V149 V150 K173 Y177 E245 F266 D268 | I148-Q243 PolarHBondContact O-N 3.13Å; V149-Q243 WeakPolarHBondContact CA-O 3.39Å; V149-Q243 HydrophobicContact CG2-CB 4.2Å; V150-Q243 PolarHBondContact N-O 3.5Å; K173-Q243 VanDerWaalsContact CD-NE2 3.32Å; K173-Q243 VanDerWaalsContact CE-NE2 3.26Å; Y177-Q243 PolarHBondContact OH-OE1 2.9Å; Q243-E245 PolarHBondContact NE2-OE2 3.02Å; Q243-F266 WeakPolarHBondContact CA-O 3.33Å; Q243-F266 HydrophobicContact CB-CD1 4.42Å; Q243-F266 HydrophobicContact CB-CE1 4Å; Q243-F266 HydrophobicContact CB-CZ 4.25Å; Q243-F266 HydrophobicContact CG-CD1 4.15Å; Q243-F266 HydrophobicContact CG-CD2 4.18Å; Q243-F266 HydrophobicContact CG-CE1 3.71Å; Q243-F266 HydrophobicContact CG-CE2 3.75Å; Q243-F266 HydrophobicContact CG-CG 4.4Å; Q243-F266 HydrophobicContact CG-CZ 3.51Å; Q243-D268 HydrophobicContact CG-CB 4.37Å |
| 244 | F | 98.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.013 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 141.4 | 169.1 | -68.7 | -93.1 | 0 | 0 | 0 | 110.7 | V150 L225 M229 I242 F247 L255 Y259 T265 F266 N267 D268 | V150-F244 HydrophobicContact CG1-CD1 4.08Å; V150-F244 HydrophobicContact CG1-CE1 4.24Å; V150-F244 HydrophobicContact CG1-CG 4.43Å; L225-F244 HydrophobicContact CD1-CE1 4.17Å; M229-F244 HydrophobicContact CE-CE2 4.35Å; M229-F244 HydrophobicContact CE-CZ 4.39Å; M229-F244 HydrophobicContact SD-CE2 4.21Å; M229-F244 HydrophobicContact SD-CZ 3.74Å; I242-F244 HydrophobicContact CG2-CE2 4.35Å; F244-F247 HydrophobicContact CB-CD2 4.1Å; F244-F247 HydrophobicContact CB-CE2 4.08Å; F244-F247 AromaticContact CD1-CD2 3.98Å; F244-F247 HydrophobicContact CD1-CD2 3.98Å; F244-F247 HydrophobicContact CD1-CE1 4.34Å; F244-F247 AromaticContact CD1-CE2 3.45Å; F244-F247 HydrophobicContact CD1-CE2 3.45Å; F244-F247 VanDerWaalsContact CD1-CE2 3.45Å; F244-F247 AromaticContact CD1-CZ 3.66Å; F244-F247 HydrophobicContact CD1-CZ 3.66Å; F244-F247 HydrophobicContact CE1-CE2 4.35Å; F244-F247 HydrophobicContact CE1-CZ 4.13Å; F244-F247 HydrophobicContact CG-CE2 4.24Å; F244-L255 HydrophobicContact CD1-CD1 4.4Å; F244-L255 HydrophobicContact CE1-CB 4.39Å; F244-L255 HydrophobicContact CE1-CD1 4.12Å; F244-Y259 HydrophobicContact CE2-CD2 4.08Å; F244-Y259 AromaticContact CZ-CD2 3.7Å; F244-Y259 HydrophobicContact CZ-CD2 3.7Å; F244-Y259 HydrophobicContact CZ-CE2 4.02Å; F244-T265 VanDerWaalsContact CD2-OG1 3.31Å; F244-T265 WeakPolarHBondContact CD2-OG1 3.39Å; F244-T265 WeakPolarHBondContact CE2-OG1 3.39Å; F244-F266 PolarHBondContact N-O 2.91Å; F244-N267 HydrophobicContact CB-CB 4.1Å; F244-N267 WeakPolarHBondContact O-CA 3.25Å; F244-D268 PolarHBondContact O-N 2.97Å |
| 245 | E | 98.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | trans | -145.6 | 137.3 | -177 | -172.9 | 74.8 | 177.9 | 0 | 0 | 111 | Y102 V149 V150 T151 I169 K173 Q243 F247 D268 | Y102-E245 PolarHBondContact OH-OE1 3.34Å; V149-E245 HydrophobicContact CG1-CB 3.96Å; V149-E245 HydrophobicContact CG1-CG 4.5Å; V150-E245 PolarHBondContact O-N 3.1Å; T151-E245 WeakPolarHBondContact CA-O 3.35Å; T151-E245 WeakPolarHBondContact CB-O 3.42Å; T151-E245 PolarHBondContact OG1-O 3.14Å; I169-E245 HydrophobicContact CG2-CG 3.59Å; K173-E245 VanDerWaalsContact CD-CD 3.49Å; K173-E245 HydrophobicContact CD-CG 4.2Å; K173-E245 VanDerWaalsContact CD-OE2 3.22Å; K173-E245 WeakPolarHBondContact CD-OE2 3.33Å; K173-E245 WeakPolarHBondContact CE-OE2 3.37Å; K173-E245 IonicContact NZ-OE1 3.19Å; K173-E245 PolarHBondContact NZ-OE1 3.37Å; K173-E245 IonicContact NZ-OE2 3.05Å; K173-E245 PolarHBondContact NZ-OE2 3.18Å; Q243-E245 PolarHBondContact NE2-OE2 3.02Å; E245-F247 WeakPolarHBondContact O-CD2 3.44Å; E245-F247 PolarHBondContact O-N 3.25Å; E245-F247 VanDerWaalsContact O-N 3.12Å; E245-D268 WeakPolarHBondContact OE2-CB 3.39Å | ||
| 246 | D | 96.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 26.1 Ų | 26.1 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 55.2 | 32.3 | 169.1 | -76.9 | -18 | 0 | 0 | 0 | 114.9 | R155 I156 L157 I169 D269 | R155-D246 CarbonylContact C-O 3.08Å; R155-D246 WeakPolarHBondContact CA-O 3.42Å; R155-D246 PolarHBondContact N-O 3.42Å; R155-D246 WeakPolarHBondContact O-CB 3.05Å; I156-D246 WeakPolarHBondContact CA-OD2 3.31Å; I156-D246 HydrophobicContact CD1-CB 3.77Å; L157-D246 PolarHBondContact N-OD1 2.8Å; I169-D246 WeakPolarHBondContact CG2-OD2 3.33Å; D246-D269 PolarHBondContact N-OD2 2.78Å |
| 247 | F | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -79 | 153.9 | 167.8 | -75.7 | -100.7 | 0 | 0 | 0 | 110.1 | V150 D152 Y221 F244 E245 A252 L255 E304 | V150-F247 WeakPolarHBondContact O-CE2 3.36Å; D152-F247 HydrophobicContact CB-CD1 4.16Å; D152-F247 HydrophobicContact CB-CE1 3.74Å; D152-F247 HydrophobicContact CB-CZ 4.26Å; D152-F247 WeakPolarHBondContact OD2-CD1 3.31Å; Y221-F247 WeakPolarHBondContact OH-CD1 3.35Å; Y221-F247 WeakPolarHBondContact OH-CE1 3.31Å; F244-F247 HydrophobicContact CB-CD2 4.1Å; F244-F247 HydrophobicContact CB-CE2 4.08Å; F244-F247 AromaticContact CD1-CD2 3.98Å; F244-F247 HydrophobicContact CD1-CD2 3.98Å; F244-F247 HydrophobicContact CD1-CE1 4.34Å; F244-F247 AromaticContact CD1-CE2 3.45Å; F244-F247 HydrophobicContact CD1-CE2 3.45Å; F244-F247 VanDerWaalsContact CD1-CE2 3.45Å; F244-F247 AromaticContact CD1-CZ 3.66Å; F244-F247 HydrophobicContact CD1-CZ 3.66Å; F244-F247 HydrophobicContact CE1-CE2 4.35Å; F244-F247 HydrophobicContact CE1-CZ 4.13Å; F244-F247 HydrophobicContact CG-CE2 4.24Å; E245-F247 WeakPolarHBondContact O-CD2 3.44Å; E245-F247 PolarHBondContact O-N 3.25Å; E245-F247 VanDerWaalsContact O-N 3.12Å; F247-A252 HydrophobicContact CB-CB 4.09Å; F247-L255 HydrophobicContact CD1-CD1 3.95Å; F247-L255 HydrophobicContact CE1-CD1 4.02Å; F247-E304 VanDerWaalsContact O-OE1 3.11Å | ||
| 248 | A | 94.5 | Very high | 96.6 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 15% | 0.149 | 16% | 0.157 | C | C | . | . | trans | -64.5 | 146.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E154 V250 N251 A252 | E154-A248 HydrophobicContact CB-CB 4.31Å; E154-A248 HydrophobicContact CG-CB 3.85Å; E154-A248 WeakPolarHBondContact OE1-CB 3.43Å; E154-A248 WeakPolarHBondContact OE2-CB 3.38Å; A248-V250 VanDerWaalsContact C-N 3.29Å; A248-V250 PolarHBondContact O-N 2.97Å; A248-N251 WeakPolarHBondContact O-CA 3.07Å; A248-N251 PolarHBondContact O-N 3.45Å; A248-A252 PolarHBondContact O-N 3.36Å | ||
| 249 | N | 87.9 | Confident | 96.6 | Very high | 58 Ų | 58 | 26.1 Ų | 26.1 | 31% | 0.31 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -46.3 | -44.8 | -170.2 | -58.7 | 45.5 | 0 | 0 | 0 | 115.3 | R155 F253 G303 E304 | R155-N249 WeakPolarHBondContact CD-OD1 3.28Å; R155-N249 PolarHBondContact NE-OD1 2.97Å; R155-N249 VanDerWaalsContact NE-OD1 3.1Å; N249-F253 WeakPolarHBondContact O-CD2 3.28Å; N249-F253 PolarHBondContact O-N 2.71Å; N249-G303 WeakPolarHBondContact ND2-CA 3.43Å; N249-E304 WeakPolarHBondContact CA-OE1 3.37Å; N249-E304 HydrophobicContact CB-CG 4.13Å; N249-E304 VanDerWaalsContact CG-OE1 3.3Å; N249-E304 PolarHBondContact N-OE1 3.49Å; N249-E304 VanDerWaalsContact N-OE1 3.09Å; N249-E304 PolarHBondContact OD1-OE1 2.85Å; N249-E304 VanDerWaalsContact OD1-OE1 3.08Å |
| 250 | V | 90.3 | Very high | 96.6 | Very high | 114 Ų | 114 | 24.8 Ų | 24.8 | 69% | 0.691 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -65.1 | -44.7 | -178.4 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | A248 R254 | A248-V250 VanDerWaalsContact C-N 3.29Å; A248-V250 PolarHBondContact O-N 2.97Å; V250-R254 WeakPolarHBondContact O-CB 3.33Å; V250-R254 PolarHBondContact O-N 2.97Å |
| 251 | N | 95.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 10% | 0.096 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.7 | -42.3 | 178.5 | -75.3 | -24.4 | 0 | 0 | 0 | 111.5 | A248 F253 R254 L255 | A248-N251 WeakPolarHBondContact O-CA 3.07Å; A248-N251 PolarHBondContact O-N 3.45Å; N251-F253 PolarHBondContact O-N 3.48Å; N251-R254 PolarHBondContact O-N 2.9Å; N251-R254 PolarHBondContact OD1-NH2 3.42Å; N251-L255 HydrophobicContact CB-CD1 4.21Å; N251-L255 VanDerWaalsContact O-CB 3.27Å; N251-L255 WeakPolarHBondContact O-CB 3.5Å; N251-L255 WeakPolarHBondContact O-CG 3.26Å; N251-L255 PolarHBondContact O-N 3.02Å |
| 252 | A | 95.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.4 | -52.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F247 A248 L256 I270 E304 | F247-A252 HydrophobicContact CB-CB 4.09Å; A248-A252 PolarHBondContact O-N 3.36Å; A252-L256 VanDerWaalsContact O-CB 3.23Å; A252-L256 WeakPolarHBondContact O-CB 3.28Å; A252-L256 PolarHBondContact O-N 3.46Å; A252-L256 VanDerWaalsContact O-N 3.08Å; A252-I270 HydrophobicContact CB-CD1 3.96Å; A252-E304 HydrophobicContact CB-CG 3.95Å |
| 253 | F | 93.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 11% | 0.114 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.6 | -43.8 | 177.8 | -81.1 | -68.4 | 0 | 0 | 0 | 113.1 | N249 N251 L256 N257 I270 E304 L307 | N249-F253 WeakPolarHBondContact O-CD2 3.28Å; N249-F253 PolarHBondContact O-N 2.71Å; N251-F253 PolarHBondContact O-N 3.48Å; F253-L256 PolarHBondContact O-N 3.26Å; F253-N257 WeakPolarHBondContact O-CB 3.01Å; F253-N257 VanDerWaalsContact O-CG 3.28Å; F253-N257 PolarHBondContact O-N 3.32Å; F253-N257 PolarHBondContact O-ND2 3.35Å; F253-N257 VanDerWaalsContact O-ND2 3.15Å; F253-I270 HydrophobicContact CD1-CD1 3.69Å; F253-I270 HydrophobicContact CD1-CG1 4.44Å; F253-I270 HydrophobicContact CD1-CG2 4.49Å; F253-I270 HydrophobicContact CD2-CD1 4.31Å; F253-I270 HydrophobicContact CE1-CD1 3.72Å; F253-I270 HydrophobicContact CE1-CG1 3.97Å; F253-I270 HydrophobicContact CE1-CG2 3.69Å; F253-I270 HydrophobicContact CE2-CD1 4.34Å; F253-I270 HydrophobicContact CE2-CG1 4.46Å; F253-I270 HydrophobicContact CG-CD1 3.97Å; F253-I270 HydrophobicContact CZ-CD1 4.03Å; F253-I270 HydrophobicContact CZ-CG1 3.95Å; F253-I270 HydrophobicContact CZ-CG2 4.16Å; F253-E304 HydrophobicContact CD2-CG 4.35Å; F253-E304 HydrophobicContact CE2-CB 4.29Å; F253-E304 HydrophobicContact CE2-CG 3.92Å; F253-L307 HydrophobicContact CE1-CB 4.4Å; F253-L307 HydrophobicContact CE2-CB 4.3Å; F253-L307 HydrophobicContact CE2-CD1 3.82Å; F253-L307 HydrophobicContact CZ-CB 3.65Å; F253-L307 HydrophobicContact CZ-CD1 4Å; F253-L307 HydrophobicContact CZ-CG 4.49Å |
| 254 | R | 96.4 | Very high | 96.5 | Very high | 75 Ų | 75 | 36.5 Ų | 36.5 | 28% | 0.283 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.9 | -48.3 | -177.5 | -177.5 | 179.8 | 62.4 | 82.5 | -1.2 | 111.5 | D222 V250 N251 N257 K258 | D222-R254 IonicContact OD1-CZ 2.67Å; D222-R254 IonicContact OD1-NH1 3.65Å; D222-R254 PolarHBondContact OD1-NH1 3.49Å; D222-R254 IonicContact OD1-NH2 3.85Å; D222-R254 PolarHBondContact OD1-NH2 2.95Å; D222-R254 IonicContact OD2-CZ 2.62Å; D222-R254 IonicContact OD2-NH1 3.93Å; D222-R254 PolarHBondContact OD2-NH1 3.24Å; D222-R254 VanDerWaalsContact OD2-NH1 3.17Å; V250-R254 WeakPolarHBondContact O-CB 3.33Å; V250-R254 PolarHBondContact O-N 2.97Å; N251-R254 PolarHBondContact O-N 2.9Å; N251-R254 PolarHBondContact OD1-NH2 3.42Å; R254-N257 PolarHBondContact O-N 3.39Å; R254-K258 WeakPolarHBondContact O-CB 3.22Å; R254-K258 PolarHBondContact O-N 2.72Å |
| 255 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 179.1 | -63 | 172.6 | 0 | 0 | 0 | 111 | Y221 L225 F244 F247 N251 N257 K258 Y259 | Y221-L255 HydrophobicContact CE1-CD1 4.43Å; L225-L255 HydrophobicContact CB-CD2 4.3Å; L225-L255 HydrophobicContact CD1-CD1 4.41Å; L225-L255 HydrophobicContact CG-CD1 4.39Å; L225-L255 HydrophobicContact CG-CD2 4.21Å; F244-L255 HydrophobicContact CD1-CD1 4.4Å; F244-L255 HydrophobicContact CE1-CB 4.39Å; F244-L255 HydrophobicContact CE1-CD1 4.12Å; F247-L255 HydrophobicContact CD1-CD1 3.95Å; F247-L255 HydrophobicContact CE1-CD1 4.02Å; N251-L255 HydrophobicContact CB-CD1 4.21Å; N251-L255 VanDerWaalsContact O-CB 3.27Å; N251-L255 WeakPolarHBondContact O-CB 3.5Å; N251-L255 WeakPolarHBondContact O-CG 3.26Å; N251-L255 PolarHBondContact O-N 3.02Å; L255-N257 PolarHBondContact O-N 3.28Å; L255-K258 PolarHBondContact O-N 2.94Å; L255-Y259 HydrophobicContact CB-CD2 4.28Å; L255-Y259 HydrophobicContact CB-CE2 4.21Å; L255-Y259 HydrophobicContact CD2-CE2 3.75Å; L255-Y259 VanDerWaalsContact O-CD2 3.3Å; L255-Y259 WeakPolarHBondContact O-CD2 3.23Å; L255-Y259 PolarHBondContact O-N 3.01Å |
| 256 | L | 98 | Very high | 96.5 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.9 | -50.5 | 174.4 | 176 | 61.2 | 0 | 0 | 0 | 111.1 | A252 F253 K258 Y259 R260 N267 I270 Q271 | A252-L256 VanDerWaalsContact O-CB 3.23Å; A252-L256 WeakPolarHBondContact O-CB 3.28Å; A252-L256 PolarHBondContact O-N 3.46Å; A252-L256 VanDerWaalsContact O-N 3.08Å; F253-L256 PolarHBondContact O-N 3.26Å; L256-K258 VanDerWaalsContact C-N 3.33Å; L256-K258 PolarHBondContact O-N 2.98Å; L256-Y259 PolarHBondContact O-N 3.31Å; L256-R260 HydrophobicContact CD1-CB 4.14Å; L256-R260 WeakPolarHBondContact O-CB 3.41Å; L256-R260 WeakPolarHBondContact O-CD 3.43Å; L256-R260 WeakPolarHBondContact O-CG 3.32Å; L256-R260 PolarHBondContact O-N 3.02Å; L256-N267 HydrophobicContact CD1-CB 4.48Å; L256-N267 HydrophobicContact CD2-CB 4.39Å; L256-I270 HydrophobicContact CD2-CB 4.39Å; L256-I270 HydrophobicContact CD2-CD1 4Å; L256-I270 HydrophobicContact CD2-CG2 4.13Å; L256-Q271 HydrophobicContact CD2-CG 4.08Å |
| 257 | N | 96.9 | Very high | 96.6 | Very high | 79 Ų | 79 | 36.1 Ų | 36.1 | 42% | 0.422 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.2 | -35.9 | -179.4 | -72.3 | -32.3 | 0 | 0 | 0 | 112.7 | F253 R254 L255 | F253-N257 WeakPolarHBondContact O-CB 3.01Å; F253-N257 VanDerWaalsContact O-CG 3.28Å; F253-N257 PolarHBondContact O-N 3.32Å; F253-N257 PolarHBondContact O-ND2 3.35Å; F253-N257 VanDerWaalsContact O-ND2 3.15Å; R254-N257 PolarHBondContact O-N 3.39Å; L255-N257 PolarHBondContact O-N 3.28Å |
| 258 | K | 98.4 | Very high | 96.6 | Very high | 66 Ų | 66 | 36.1 Ų | 36.1 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.7 | -47 | 176.9 | -171.3 | 179.3 | -178.7 | -169.5 | 0 | 111.6 | D226 R254 L255 L256 Q262 | D226-K258 WeakPolarHBondContact OD1-CE 3.39Å; D226-K258 IonicContact OD1-NZ 3.9Å; D226-K258 PolarHBondContact OD1-NZ 3.21Å; D226-K258 IonicContact OD2-NZ 2.86Å; D226-K258 PolarHBondContact OD2-NZ 3.22Å; R254-K258 WeakPolarHBondContact O-CB 3.22Å; R254-K258 PolarHBondContact O-N 2.72Å; L255-K258 PolarHBondContact O-N 2.94Å; L256-K258 VanDerWaalsContact C-N 3.33Å; L256-K258 PolarHBondContact O-N 2.98Å; K258-Q262 PolarHBondContact O-NE2 2.82Å |
| 259 | Y | 98.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -99.7 | -22 | -166.7 | -60 | -42.1 | 0 | 0 | 0 | 115.8 | D226 M229 F244 L255 L256 N261 Q262 Y263 | D226-Y259 PolarHBondContact N-OH 2.7Å; D226-Y259 VanDerWaalsContact OD1-CE1 3.3Å; D226-Y259 WeakPolarHBondContact OD1-CE1 3.21Å; D226-Y259 PolarHBondContact OD1-OH 3.47Å; M229-Y259 HydrophobicContact CE-CD2 4.08Å; M229-Y259 HydrophobicContact CE-CG 3.99Å; M229-Y259 HydrophobicContact CG-CD1 4.28Å; M229-Y259 HydrophobicContact CG-CD2 3.99Å; M229-Y259 HydrophobicContact CG-CE1 4.1Å; M229-Y259 HydrophobicContact CG-CE2 3.76Å; M229-Y259 HydrophobicContact CG-CG 4.26Å; M229-Y259 HydrophobicContact SD-CD2 4.21Å; M229-Y259 HydrophobicContact SD-CE2 4.39Å; F244-Y259 HydrophobicContact CE2-CD2 4.08Å; F244-Y259 AromaticContact CZ-CD2 3.7Å; F244-Y259 HydrophobicContact CZ-CD2 3.7Å; F244-Y259 HydrophobicContact CZ-CE2 4.02Å; L255-Y259 HydrophobicContact CB-CD2 4.28Å; L255-Y259 HydrophobicContact CB-CE2 4.21Å; L255-Y259 HydrophobicContact CD2-CE2 3.75Å; L255-Y259 VanDerWaalsContact O-CD2 3.3Å; L255-Y259 WeakPolarHBondContact O-CD2 3.23Å; L255-Y259 PolarHBondContact O-N 3.01Å; L256-Y259 PolarHBondContact O-N 3.31Å; Y259-N261 PolarHBondContact O-N 2.89Å; Y259-Q262 PolarHBondContact O-N 3.2Å; Y259-Y263 HydrophobicContact CD1-CD2 4.02Å; Y259-Y263 HydrophobicContact CD1-CE2 4.01Å; Y259-Y263 HydrophobicContact CG-CD2 4.28Å; Y259-Y263 PolarHBondContact O-N 2.78Å |
| 260 | R | 98 | Very high | 97.1 | Very high | 41 Ų | 41 | 33.3 Ų | 33.3 | 16% | 0.155 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.8 | -172 | 63.7 | -170.1 | -62.1 | 172.7 | 4 | 116.2 | L256 D475 | L256-R260 HydrophobicContact CD1-CB 4.14Å; L256-R260 WeakPolarHBondContact O-CB 3.41Å; L256-R260 WeakPolarHBondContact O-CD 3.43Å; L256-R260 WeakPolarHBondContact O-CG 3.32Å; L256-R260 PolarHBondContact O-N 3.02Å; R260-D475 IonicContact CZ-OD1 2.55Å; R260-D475 IonicContact CZ-OD2 3.93Å; R260-D475 IonicContact NH1-OD2 2.98Å; R260-D475 IonicContact NH2-OD1 3.87Å; R260-D475 PolarHBondContact NH2-OD1 2.89Å; R260-D475 IonicContact NH2-OD2 2.85Å; R260-D475 PolarHBondContact NH2-OD2 2.88Å |
| 261 | N | 97.9 | Very high | 97.4 | Very high | 119 Ų | 119 | 28.2 Ų | 28.2 | 64% | 0.636 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 4.4 | -179.5 | -61.1 | -47.1 | 0 | 0 | 0 | 113.3 | Y259 H472 | Y259-N261 PolarHBondContact O-N 2.89Å; N261-H472 PolarHBondContact O-CE1 3.22Å |
| 262 | Q | 98.1 | Very high | 97.6 | Very high | 107 Ų | 107 | 27.3 Ų | 27.3 | 50% | 0.5 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -38.7 | -177.6 | -57.1 | -175.1 | 52.9 | 0 | 0 | 110.9 | M238 K258 Y259 | M238-Q262 WeakPolarHBondContact CE-O 3.22Å; K258-Q262 PolarHBondContact O-NE2 2.82Å; Y259-Q262 PolarHBondContact O-N 3.2Å |
| 263 | Y | 98.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 28 Ų | 28 | 11% | 0.106 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -118.9 | 162.7 | -178.2 | -61.7 | -76.6 | 0 | 0 | 0 | 111.6 | M229 S233 M238 Y259 T265 R471 H472 | M229-Y263 HydrophobicContact CB-CD2 4.21Å; M229-Y263 HydrophobicContact CB-CE1 4.3Å; M229-Y263 HydrophobicContact CB-CE2 3.7Å; M229-Y263 HydrophobicContact CE-CD1 4.28Å; M229-Y263 HydrophobicContact CE-CD2 3.49Å; M229-Y263 VanDerWaalsContact CE-CD2 3.49Å; M229-Y263 HydrophobicContact CE-CE2 4.19Å; M229-Y263 HydrophobicContact CE-CG 3.53Å; M229-Y263 HydrophobicContact CG-CE2 4.43Å; S233-Y263 WeakPolarHBondContact OG-CE1 3.08Å; M238-Y263 HydrophobicContact CE-CD1 3.7Å; M238-Y263 HydrophobicContact CE-CE1 3.89Å; M238-Y263 HydrophobicContact SD-CD1 4.46Å; M238-Y263 HydrophobicContact SD-CE1 4.35Å; Y259-Y263 HydrophobicContact CD1-CD2 4.02Å; Y259-Y263 HydrophobicContact CD1-CE2 4.01Å; Y259-Y263 HydrophobicContact CG-CD2 4.28Å; Y259-Y263 PolarHBondContact O-N 2.78Å; Y263-T265 VanDerWaalsContact C-N 3.28Å; Y263-T265 PolarHBondContact O-N 2.8Å; Y263-R471 CarbonylContact C-O 3.55Å; Y263-H472 PolarHBondContact O-ND1 3.14Å |
| 264 | C | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -77.7 | 80 | 168.5 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | L241 I242 V465 L470 R471 | L241-C264 WeakPolarHBondContact CA-O 3.35Å; I242-C264 PolarHBondContact N-O 2.54Å; C264-V465 WeakPolarHBondContact SG-CG1 3.13Å; C264-L470 PolarHBondContact SG-O 3.26Å; C264-L470 VanDerWaalsContact SG-O 3.33Å; C264-R471 VanDerWaalsContact CA-O 3.22Å; C264-R471 WeakPolarHBondContact CA-O 3.41Å; C264-R471 WeakPolarHBondContact CB-O 3.34Å; C264-R471 PolarHBondContact N-O 2.71Å |
| 265 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 152.8 | -172.7 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | M229 I242 F244 Y263 | M229-T265 HydrophobicContact CE-CG2 4.47Å; I242-T265 WeakPolarHBondContact O-CA 3.08Å; I242-T265 WeakPolarHBondContact O-CB 3.27Å; I242-T265 PolarHBondContact O-OG1 2.78Å; F244-T265 VanDerWaalsContact CD2-OG1 3.31Å; F244-T265 WeakPolarHBondContact CD2-OG1 3.39Å; F244-T265 WeakPolarHBondContact CE2-OG1 3.39Å; Y263-T265 VanDerWaalsContact C-N 3.28Å; Y263-T265 PolarHBondContact O-N 2.8Å |
| 266 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 167.4 | 170.4 | 77.6 | -81.3 | 0 | 0 | 0 | 110 | L241 I242 Q243 F244 D268 Q271 F458 I473 F478 | L241-F266 HydrophobicContact CD1-CD1 3.8Å; L241-F266 HydrophobicContact CD1-CE1 3.86Å; L241-F266 HydrophobicContact CD2-CE1 4.25Å; L241-F266 HydrophobicContact CG-CE1 4.44Å; I242-F266 PolarHBondContact O-N 2.86Å; Q243-F266 WeakPolarHBondContact CA-O 3.33Å; Q243-F266 HydrophobicContact CB-CD1 4.42Å; Q243-F266 HydrophobicContact CB-CE1 4Å; Q243-F266 HydrophobicContact CB-CZ 4.25Å; Q243-F266 HydrophobicContact CG-CD1 4.15Å; Q243-F266 HydrophobicContact CG-CD2 4.18Å; Q243-F266 HydrophobicContact CG-CE1 3.71Å; Q243-F266 HydrophobicContact CG-CE2 3.75Å; Q243-F266 HydrophobicContact CG-CG 4.4Å; Q243-F266 HydrophobicContact CG-CZ 3.51Å; F244-F266 PolarHBondContact N-O 2.91Å; F266-D268 HydrophobicContact CE2-CB 4.04Å; F266-Q271 VanDerWaalsContact CB-OE1 3.27Å; F266-F458 HydrophobicContact CE2-CB 4.45Å; F266-F458 HydrophobicContact CZ-CB 4.12Å; F266-I473 HydrophobicContact CB-CD1 4.11Å; F266-I473 HydrophobicContact CD1-CD1 3.53Å; F266-I473 HydrophobicContact CE1-CD1 4.33Å; F266-I473 HydrophobicContact CG-CD1 4.2Å; F266-F478 HydrophobicContact CB-CE2 4.22Å; F266-F478 HydrophobicContact CB-CZ 3.77Å; F266-F478 AromaticContact CD2-CE1 3.98Å; F266-F478 HydrophobicContact CD2-CE1 3.98Å; F266-F478 AromaticContact CD2-CZ 3.54Å; F266-F478 HydrophobicContact CD2-CZ 3.54Å; F266-F478 HydrophobicContact CE2-CE1 4.26Å; F266-F478 HydrophobicContact CE2-CZ 4.22Å; F266-F478 AromaticContact CG-CZ 3.77Å; F266-F478 HydrophobicContact CG-CZ 3.77Å |
| 267 | N | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.6 | 171.8 | 175.1 | -67.9 | 0 | 0 | 0 | 108.8 | F244 L256 D269 I270 Q271 | F244-N267 HydrophobicContact CB-CB 4.1Å; F244-N267 WeakPolarHBondContact O-CA 3.25Å; L256-N267 HydrophobicContact CD1-CB 4.48Å; L256-N267 HydrophobicContact CD2-CB 4.39Å; N267-D269 WeakPolarHBondContact OD1-CA 3.29Å; N267-D269 WeakPolarHBondContact OD1-CB 3.39Å; N267-D269 PolarHBondContact OD1-N 3.18Å; N267-I270 HydrophobicContact CB-CB 4.46Å; N267-I270 HydrophobicContact CB-CD1 4.24Å; N267-I270 WeakPolarHBondContact OD1-CG1 3.43Å; N267-I270 PolarHBondContact OD1-N 3.22Å; N267-Q271 WeakPolarHBondContact O-CB 3.46Å; N267-Q271 PolarHBondContact O-N 2.95Å |
| 268 | D | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -75 | -35.9 | -174.9 | -170.1 | 68.9 | 0 | 0 | 0 | 112.7 | K173 Q243 F244 E245 F266 I270 G272 T273 N454 F458 | K173-D268 WeakPolarHBondContact CE-OD2 3.24Å; K173-D268 IonicContact NZ-OD2 3.81Å; K173-D268 PolarHBondContact NZ-OD2 2.98Å; Q243-D268 HydrophobicContact CG-CB 4.37Å; F244-D268 PolarHBondContact O-N 2.97Å; E245-D268 WeakPolarHBondContact OE2-CB 3.39Å; F266-D268 HydrophobicContact CE2-CB 4.04Å; D268-I270 PolarHBondContact O-N 2.72Å; D268-G272 CarbonylContact O-C 3.59Å; D268-G272 WeakPolarHBondContact O-CA 3.4Å; D268-G272 PolarHBondContact O-N 3.01Å; D268-G272 WeakPolarHBondContact OD1-CA 3.35Å; D268-T273 PolarHBondContact O-N 3.04Å; D268-T273 PolarHBondContact O-OG1 3.05Å; D268-N454 PolarHBondContact O-ND2 2.91Å; D268-N454 WeakPolarHBondContact OD2-CB 3.25Å; D268-N454 PolarHBondContact OD2-ND2 2.88Å; D268-F458 WeakPolarHBondContact OD1-CB 3.29Å |
| 269 | D | 95 | Very high | 98.2 | Very high | 10 Ų | 10 | 16.4 Ų | 16.4 | 5% | 0.053 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -59.8 | -34.1 | 176.8 | -62.8 | -67.6 | 0 | 0 | 0 | 112.9 | D246 N267 T273 E304 | D246-D269 PolarHBondContact N-OD2 2.78Å; N267-D269 WeakPolarHBondContact OD1-CA 3.29Å; N267-D269 WeakPolarHBondContact OD1-CB 3.39Å; N267-D269 PolarHBondContact OD1-N 3.18Å; D269-T273 WeakPolarHBondContact O-CB 3.31Å; D269-T273 PolarHBondContact O-OG1 2.78Å; D269-E304 WeakPolarHBondContact CB-OE2 3.1Å |
| 270 | I | 96.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.036 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -88.6 | -62.3 | 176.5 | -61.8 | 164.6 | 0 | 0 | 0 | 110.7 | A252 F253 L256 N267 D268 A274 E304 | A252-I270 HydrophobicContact CB-CD1 3.96Å; F253-I270 HydrophobicContact CD1-CD1 3.69Å; F253-I270 HydrophobicContact CD1-CG1 4.44Å; F253-I270 HydrophobicContact CD1-CG2 4.49Å; F253-I270 HydrophobicContact CD2-CD1 4.31Å; F253-I270 HydrophobicContact CE1-CD1 3.72Å; F253-I270 HydrophobicContact CE1-CG1 3.97Å; F253-I270 HydrophobicContact CE1-CG2 3.69Å; F253-I270 HydrophobicContact CE2-CD1 4.34Å; F253-I270 HydrophobicContact CE2-CG1 4.46Å; F253-I270 HydrophobicContact CG-CD1 3.97Å; F253-I270 HydrophobicContact CZ-CD1 4.03Å; F253-I270 HydrophobicContact CZ-CG1 3.95Å; F253-I270 HydrophobicContact CZ-CG2 4.16Å; L256-I270 HydrophobicContact CD2-CB 4.39Å; L256-I270 HydrophobicContact CD2-CD1 4Å; L256-I270 HydrophobicContact CD2-CG2 4.13Å; N267-I270 HydrophobicContact CB-CB 4.46Å; N267-I270 HydrophobicContact CB-CD1 4.24Å; N267-I270 WeakPolarHBondContact OD1-CG1 3.43Å; N267-I270 PolarHBondContact OD1-N 3.22Å; D268-I270 PolarHBondContact O-N 2.72Å; I270-A274 VanDerWaalsContact O-CB 3.24Å; I270-A274 WeakPolarHBondContact O-CB 3.31Å; I270-A274 PolarHBondContact O-N 2.7Å; I270-E304 HydrophobicContact CD1-CG 4.33Å; I270-E304 HydrophobicContact CG1-CB 3.73Å; I270-E304 HydrophobicContact CG1-CG 3.94Å |
| 271 | Q | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 14.5 Ų | 14.5 | 3% | 0.033 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -89.9 | -34.8 | -166.4 | -61.7 | 175 | -81.3 | 0 | 0 | 112.9 | L256 F266 N267 A274 S275 D475 F478 | L256-Q271 HydrophobicContact CD2-CG 4.08Å; F266-Q271 VanDerWaalsContact CB-OE1 3.27Å; N267-Q271 WeakPolarHBondContact O-CB 3.46Å; N267-Q271 PolarHBondContact O-N 2.95Å; Q271-A274 PolarHBondContact O-N 2.64Å; Q271-S275 PolarHBondContact O-N 2.78Å; Q271-D475 PolarHBondContact NE2-OD1 2.65Å; Q271-F478 HydrophobicContact CB-CD1 4.1Å; Q271-F478 HydrophobicContact CB-CD2 3.81Å; Q271-F478 HydrophobicContact CB-CE1 3.91Å; Q271-F478 HydrophobicContact CB-CE2 3.6Å; Q271-F478 HydrophobicContact CB-CG 4.05Å; Q271-F478 HydrophobicContact CB-CZ 3.67Å; Q271-F478 HydrophobicContact CG-CD2 4.37Å; Q271-F478 HydrophobicContact CG-CE2 4.13Å; Q271-F478 VanDerWaalsContact NE2-CE2 3.33Å; Q271-F478 WeakPolarHBondContact O-CD1 3.34Å |
| 272 | G | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | I | π-helix | trans | -65.6 | -50.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D268 A274 S275 V276 | D268-G272 CarbonylContact O-C 3.59Å; D268-G272 WeakPolarHBondContact O-CA 3.4Å; D268-G272 PolarHBondContact O-N 3.01Å; D268-G272 WeakPolarHBondContact OD1-CA 3.35Å; G272-A274 VanDerWaalsContact C-N 3.28Å; G272-A274 PolarHBondContact O-N 3.28Å; G272-S275 PolarHBondContact O-N 2.93Å; G272-S275 VanDerWaalsContact O-N 3.13Å; G272-V276 PolarHBondContact O-N 2.66Å |
| 273 | T | 96.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 5.5 Ų | 5.5 | 10% | 0.104 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -57.8 | -41 | 174.7 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | D268 D269 V276 A277 A305 I309 N454 | D268-T273 PolarHBondContact O-N 3.04Å; D268-T273 PolarHBondContact O-OG1 3.05Å; D269-T273 WeakPolarHBondContact O-CB 3.31Å; D269-T273 PolarHBondContact O-OG1 2.78Å; T273-V276 WeakPolarHBondContact O-CG1 3.14Å; T273-A277 WeakPolarHBondContact O-CB 3.42Å; T273-A277 PolarHBondContact O-N 3.23Å; T273-A305 HydrophobicContact CG2-CB 3.67Å; T273-I309 HydrophobicContact CG2-CD1 4.09Å; T273-I309 HydrophobicContact CG2-CG1 4.3Å; T273-N454 PolarHBondContact N-ND2 2.9Å; T273-N454 PolarHBondContact OG1-ND2 3.31Å |
| 274 | A | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 4.2 Ų | 4.2 | 2% | 0.017 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -58.7 | -49.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I270 Q271 G272 A277 V278 G308 L312 | I270-A274 VanDerWaalsContact O-CB 3.24Å; I270-A274 WeakPolarHBondContact O-CB 3.31Å; I270-A274 PolarHBondContact O-N 2.7Å; Q271-A274 PolarHBondContact O-N 2.64Å; G272-A274 VanDerWaalsContact C-N 3.28Å; G272-A274 PolarHBondContact O-N 3.28Å; A274-A277 PolarHBondContact O-N 3.45Å; A274-V278 WeakPolarHBondContact O-CB 3.34Å; A274-V278 WeakPolarHBondContact O-CG2 3.32Å; A274-V278 PolarHBondContact O-N 2.8Å; A274-G308 VanDerWaalsContact CB-O 3.28Å; A274-G308 WeakPolarHBondContact CB-O 3.26Å; A274-L312 VanDerWaalsContact C-CD2 3.48Å; A274-L312 HydrophobicContact CB-CB 3.87Å; A274-L312 HydrophobicContact CB-CD2 3.84Å; A274-L312 HydrophobicContact CB-CG 4.48Å |
| 275 | S | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | -178 | -172 | 0 | 0 | 0 | 0 | 111.9 | Q271 G272 V278 A279 F478 A482 | Q271-S275 PolarHBondContact O-N 2.78Å; G272-S275 PolarHBondContact O-N 2.93Å; G272-S275 VanDerWaalsContact O-N 3.13Å; S275-V278 PolarHBondContact O-N 3.24Å; S275-A279 WeakPolarHBondContact O-CB 3.39Å; S275-A279 PolarHBondContact O-N 3.38Å; S275-F478 WeakPolarHBondContact CB-O 3.29Å; S275-F478 PolarHBondContact OG-O 2.96Å; S275-A482 WeakPolarHBondContact O-CB 3.26Å; S275-A482 PolarHBondContact OG-N 3.09Å |
| 276 | V | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.012 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67.4 | -41 | -179.6 | 70.8 | 0 | 0 | 0 | 0 | 111.7 | G272 T273 V278 A279 G280 Y456 V457 Y500 | G272-V276 PolarHBondContact O-N 2.66Å; T273-V276 WeakPolarHBondContact O-CG1 3.14Å; V276-V278 PolarHBondContact O-N 2.94Å; V276-A279 WeakPolarHBondContact O-CB 3.48Å; V276-A279 PolarHBondContact O-N 2.72Å; V276-G280 PolarHBondContact O-N 2.97Å; V276-Y456 HydrophobicContact CG2-CD2 4.4Å; V276-V457 HydrophobicContact CB-CG2 3.84Å; V276-Y500 HydrophobicContact CG2-CD1 4.22Å; V276-Y500 HydrophobicContact CG2-CE1 3.6Å; V276-Y500 VanDerWaalsContact O-CE1 3.3Å; V276-Y500 WeakPolarHBondContact O-CE1 3.29Å; V276-Y500 PolarHBondContact O-OH 3.36Å |
| 277 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T273 A274 A279 G280 L281 I309 L406 | T273-A277 WeakPolarHBondContact O-CB 3.42Å; T273-A277 PolarHBondContact O-N 3.23Å; A274-A277 PolarHBondContact O-N 3.45Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 3.22Å; A277-G280 PolarHBondContact O-N 3.44Å; A277-L281 WeakPolarHBondContact O-CG 3.42Å; A277-L281 PolarHBondContact O-N 3.5Å; A277-I309 HydrophobicContact CB-CB 4.38Å; A277-I309 HydrophobicContact CB-CD1 3.76Å; A277-I309 HydrophobicContact CB-CG1 3.67Å; A277-I309 HydrophobicContact CB-CG2 3.72Å; A277-L406 HydrophobicContact CB-CD1 4.23Å |
| 278 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.006 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | A274 S275 V276 G280 L281 L282 L312 I313 A316 L479 A482 | A274-V278 WeakPolarHBondContact O-CB 3.34Å; A274-V278 WeakPolarHBondContact O-CG2 3.32Å; A274-V278 PolarHBondContact O-N 2.8Å; S275-V278 PolarHBondContact O-N 3.24Å; V276-V278 PolarHBondContact O-N 2.94Å; V278-G280 VanDerWaalsContact C-N 3.32Å; V278-G280 PolarHBondContact O-N 3.37Å; V278-L281 PolarHBondContact O-N 2.87Å; V278-L282 HydrophobicContact CG1-CD1 4.03Å; V278-L282 HydrophobicContact CG1-CG 4.12Å; V278-L282 VanDerWaalsContact O-CG 3.29Å; V278-L282 WeakPolarHBondContact O-CG 3.45Å; V278-L282 PolarHBondContact O-N 3.06Å; V278-L312 HydrophobicContact CB-CD2 4.12Å; V278-L312 HydrophobicContact CG2-CB 3.99Å; V278-L312 HydrophobicContact CG2-CD2 3.88Å; V278-L312 HydrophobicContact CG2-CG 4.02Å; V278-I313 HydrophobicContact CG2-CG1 3.77Å; V278-A316 HydrophobicContact CG1-CB 4.49Å; V278-L479 HydrophobicContact CG1-CD1 4.17Å; V278-A482 HydrophobicContact CB-CB 4.09Å; V278-A482 HydrophobicContact CG1-CB 3.91Å |
| 279 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S275 V276 A277 L282 A283 A482 I485 Y500 | S275-A279 WeakPolarHBondContact O-CB 3.39Å; S275-A279 PolarHBondContact O-N 3.38Å; V276-A279 WeakPolarHBondContact O-CB 3.48Å; V276-A279 PolarHBondContact O-N 2.72Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 3.22Å; A279-L282 PolarHBondContact O-N 3.32Å; A279-A283 PolarHBondContact O-N 2.97Å; A279-A482 HydrophobicContact CB-CB 4.07Å; A279-A482 WeakPolarHBondContact CB-O 3.17Å; A279-I485 HydrophobicContact CB-CB 3.84Å; A279-I485 HydrophobicContact CB-CD1 4.33Å; A279-I485 HydrophobicContact CB-CG2 3.79Å; A279-Y500 HydrophobicContact CB-CE1 4.32Å |
| 280 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V276 A277 V278 A283 A284 Y500 | V276-G280 PolarHBondContact O-N 2.97Å; A277-G280 PolarHBondContact O-N 3.44Å; V278-G280 VanDerWaalsContact C-N 3.32Å; V278-G280 PolarHBondContact O-N 3.37Å; G280-A283 PolarHBondContact O-N 3.09Å; G280-A284 WeakPolarHBondContact O-CB 3.46Å; G280-A284 PolarHBondContact O-N 3.33Å; G280-Y500 WeakPolarHBondContact CA-OH 3.13Å |
| 281 | L | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -47 | 174.5 | -71.2 | 174.1 | 0 | 0 | 0 | 111.4 | A277 V278 A283 A284 L285 I297 I313 A375 I377 I402 F404 | A277-L281 WeakPolarHBondContact O-CG 3.42Å; A277-L281 PolarHBondContact O-N 3.5Å; V278-L281 PolarHBondContact O-N 2.87Å; L281-A283 VanDerWaalsContact C-N 3.28Å; L281-A283 PolarHBondContact O-N 2.68Å; L281-A284 CarbonylContact O-C 3.49Å; L281-A284 WeakPolarHBondContact O-CA 3.17Å; L281-A284 WeakPolarHBondContact O-CB 3.36Å; L281-A284 PolarHBondContact O-N 3.08Å; L281-L285 WeakPolarHBondContact O-CG 3.4Å; L281-L285 PolarHBondContact O-N 3.48Å; L281-I297 HydrophobicContact CD1-CD1 4.36Å; L281-I313 HydrophobicContact CD1-CD1 3.56Å; L281-I313 HydrophobicContact CD1-CG1 3.88Å; L281-A375 HydrophobicContact CD2-CB 4.35Å; L281-I377 HydrophobicContact CD1-CD1 4.31Å; L281-I402 HydrophobicContact CD2-CD1 4.33Å; L281-I402 HydrophobicContact CD2-CG2 3.99Å; L281-F404 HydrophobicContact CD2-CE2 3.89Å; L281-F404 HydrophobicContact CD2-CZ 4.04Å; L281-F404 HydrophobicContact CG-CE2 3.87Å; L281-F404 HydrophobicContact CG-CZ 4.31Å |
| 282 | L | 98.8 | Very high | 98.3 | Very high | 37 Ų | 37 | 28.8 Ų | 28.8 | 19% | 0.194 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -38.6 | 177.9 | -68 | 176.2 | 0 | 0 | 0 | 111.9 | V278 A279 L285 A482 E483 A486 | V278-L282 HydrophobicContact CG1-CD1 4.03Å; V278-L282 HydrophobicContact CG1-CG 4.12Å; V278-L282 VanDerWaalsContact O-CG 3.29Å; V278-L282 WeakPolarHBondContact O-CG 3.45Å; V278-L282 PolarHBondContact O-N 3.06Å; A279-L282 PolarHBondContact O-N 3.32Å; L282-L285 HydrophobicContact CD2-CD1 4.29Å; L282-A482 HydrophobicContact CD1-CB 4.43Å; L282-E483 HydrophobicContact CD1-CG 3.79Å; L282-A486 HydrophobicContact CB-CB 3.77Å |
| 283 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A279 G280 L281 L285 R286 V489 L494 L499 | A279-A283 PolarHBondContact O-N 2.97Å; G280-A283 PolarHBondContact O-N 3.09Å; L281-A283 VanDerWaalsContact C-N 3.28Å; L281-A283 PolarHBondContact O-N 2.68Å; A283-L285 VanDerWaalsContact C-N 3.3Å; A283-L285 PolarHBondContact O-N 2.95Å; A283-R286 WeakPolarHBondContact O-CB 3.31Å; A283-R286 PolarHBondContact O-N 3.34Å; A283-V489 HydrophobicContact CB-CG2 4.35Å; A283-L494 HydrophobicContact CB-CD2 4.28Å; A283-L499 HydrophobicContact CB-CB 4.39Å; A283-L499 HydrophobicContact CB-CD2 4.03Å; A283-L499 VanDerWaalsContact CB-O 3.31Å; A283-L499 WeakPolarHBondContact CB-O 3.29Å |
| 284 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -35.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G280 L281 R286 I287 T288 I402 I429 L499 | G280-A284 WeakPolarHBondContact O-CB 3.46Å; G280-A284 PolarHBondContact O-N 3.33Å; L281-A284 CarbonylContact O-C 3.49Å; L281-A284 WeakPolarHBondContact O-CA 3.17Å; L281-A284 WeakPolarHBondContact O-CB 3.36Å; L281-A284 PolarHBondContact O-N 3.08Å; A284-R286 PolarHBondContact O-N 2.87Å; A284-I287 WeakPolarHBondContact O-CA 3.37Å; A284-I287 WeakPolarHBondContact O-CB 3.41Å; A284-I287 PolarHBondContact O-N 2.79Å; A284-T288 PolarHBondContact O-N 3.45Å; A284-T288 PolarHBondContact O-OG1 3.24Å; A284-I402 HydrophobicContact CB-CD1 3.82Å; A284-I402 HydrophobicContact CB-CG1 4.12Å; A284-I429 HydrophobicContact CB-CD1 4.41Å; A284-I429 HydrophobicContact CB-CG2 3.92Å; A284-L499 HydrophobicContact CB-CD1 4.31Å; A284-L499 HydrophobicContact CB-CD2 3.94Å |
| 285 | L | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 33.4 Ų | 33.4 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.7 | -28 | 176.9 | -67.5 | 177.1 | 0 | 0 | 0 | 113.2 | L281 L282 A283 I287 T288 K289 N290 L292 Q295 | L281-L285 WeakPolarHBondContact O-CG 3.4Å; L281-L285 PolarHBondContact O-N 3.48Å; L282-L285 HydrophobicContact CD2-CD1 4.29Å; A283-L285 VanDerWaalsContact C-N 3.3Å; A283-L285 PolarHBondContact O-N 2.95Å; L285-I287 VanDerWaalsContact C-N 3.28Å; L285-I287 PolarHBondContact O-N 3.29Å; L285-T288 VanDerWaalsContact CA-OG1 3.3Å; L285-T288 WeakPolarHBondContact CA-OG1 3.11Å; L285-T288 PolarHBondContact O-OG1 3.11Å; L285-K289 WeakPolarHBondContact O-CA 3.22Å; L285-K289 PolarHBondContact O-N 2.95Å; L285-N290 WeakPolarHBondContact CD2-OD1 3.14Å; L285-L292 HydrophobicContact CD1-CB 3.74Å; L285-L292 HydrophobicContact CD1-CD1 4.24Å; L285-Q295 HydrophobicContact CD2-CG 4.06Å |
| 286 | R | 98.6 | Very high | 98.3 | Very high | 89 Ų | 89 | 35.2 Ų | 35.2 | 34% | 0.336 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -71.5 | -24.4 | 174.3 | -67.3 | 165.2 | 56.2 | -161.1 | -3.7 | 112.6 | A283 A284 A486 V489 D491 L494 | A283-R286 WeakPolarHBondContact O-CB 3.31Å; A283-R286 PolarHBondContact O-N 3.34Å; A284-R286 PolarHBondContact O-N 2.87Å; R286-A486 PolarHBondContact NH1-O 3.39Å; R286-V489 VanDerWaalsContact CZ-O 3.29Å; R286-V489 PolarHBondContact NH1-O 3.29Å; R286-V489 PolarHBondContact NH2-O 2.88Å; R286-D491 IonicContact CZ-OD1 2.85Å; R286-D491 IonicContact NE-OD1 3.78Å; R286-D491 IonicContact NH2-OD1 3.83Å; R286-D491 PolarHBondContact NH2-OD1 3.04Å; R286-L494 HydrophobicContact CB-CD1 3.62Å |
| 287 | I | 98.4 | Very high | 98.3 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 14% | 0.138 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -82.4 | -47.7 | 174.2 | -57 | 173.8 | 0 | 0 | 0 | 110.2 | A284 L285 K289 I429 L494 L499 | A284-I287 WeakPolarHBondContact O-CA 3.37Å; A284-I287 WeakPolarHBondContact O-CB 3.41Å; A284-I287 PolarHBondContact O-N 2.79Å; L285-I287 VanDerWaalsContact C-N 3.28Å; L285-I287 PolarHBondContact O-N 3.29Å; I287-K289 VanDerWaalsContact C-N 3.28Å; I287-K289 PolarHBondContact O-N 2.82Å; I287-I429 HydrophobicContact CB-CD1 3.79Å; I287-I429 HydrophobicContact CD1-CD1 4.26Å; I287-I429 HydrophobicContact CD1-CG1 4.25Å; I287-I429 HydrophobicContact CD1-CG2 4.08Å; I287-I429 HydrophobicContact CG2-CD1 3.69Å; I287-I429 HydrophobicContact CG2-CG1 4.1Å; I287-L494 HydrophobicContact CD1-CB 4.23Å; I287-L494 HydrophobicContact CD1-CD2 4.06Å; I287-L494 HydrophobicContact CG1-CB 4.01Å; I287-L494 HydrophobicContact CG1-CD1 4.32Å; I287-L494 HydrophobicContact CG1-CD2 4.09Å; I287-L494 HydrophobicContact CG1-CG 4.37Å; I287-L499 HydrophobicContact CD1-CD2 3.99Å |
| 288 | T | 98.1 | Very high | 98.3 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -74.3 | -18.3 | -178.8 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | A284 L285 N290 R400 I402 I429 | A284-T288 PolarHBondContact O-N 3.45Å; A284-T288 PolarHBondContact O-OG1 3.24Å; L285-T288 VanDerWaalsContact CA-OG1 3.3Å; L285-T288 WeakPolarHBondContact CA-OG1 3.11Å; L285-T288 PolarHBondContact O-OG1 3.11Å; T288-N290 VanDerWaalsContact CB-OD1 3.26Å; T288-N290 WeakPolarHBondContact CB-OD1 3.25Å; T288-N290 PolarHBondContact O-N 2.87Å; T288-N290 PolarHBondContact OG1-OD1 3.3Å; T288-R400 HydrophobicContact CG2-CB 4.21Å; T288-I402 HydrophobicContact CG2-CD1 4.42Å; T288-I429 HydrophobicContact CG2-CD1 3.56Å |
| 289 | K | 98 | Very high | 98.3 | Very high | 189 Ų | 189 | 35 Ų | 35 | 82% | 0.822 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 30.7 | 178.9 | -60.2 | 177.1 | 178.8 | 176.9 | 0 | 113.6 | L285 I287 | L285-K289 WeakPolarHBondContact O-CA 3.22Å; L285-K289 PolarHBondContact O-N 2.95Å; I287-K289 VanDerWaalsContact C-N 3.28Å; I287-K289 PolarHBondContact O-N 2.82Å |
| 290 | N | 96.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 35.6 Ų | 35.6 | 31% | 0.305 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -124.8 | 177 | 174.3 | 58.6 | 14.2 | 0 | 0 | 0 | 110.1 | L285 T288 D294 Q295 | L285-N290 WeakPolarHBondContact CD2-OD1 3.14Å; T288-N290 VanDerWaalsContact CB-OD1 3.26Å; T288-N290 WeakPolarHBondContact CB-OD1 3.25Å; T288-N290 PolarHBondContact O-N 2.87Å; T288-N290 PolarHBondContact OG1-OD1 3.3Å; N290-D294 HydrophobicContact CB-CB 4.25Å; N290-Q295 PolarHBondContact ND2-NE2 3.08Å; N290-Q295 PolarHBondContact OD1-NE2 3.18Å |
| 291 | K | 97.7 | Very high | 98.2 | Very high | 131 Ų | 131 | 36 Ų | 36 | 57% | 0.57 | 18% | 0.176 | S | C | * | . | trans | -93.1 | 164 | -177.5 | -63.4 | 179.9 | 179.6 | -179.2 | 0 | 111.7 | S293 D294 Q295 | K291-S293 WeakPolarHBondContact CB-OG 3.36Å; K291-S293 PolarHBondContact O-N 3.47Å; K291-D294 WeakPolarHBondContact CB-OD2 3.16Å; K291-D294 PolarHBondContact N-OD2 3.19Å; K291-D294 WeakPolarHBondContact O-CB 3.33Å; K291-D294 PolarHBondContact O-N 3.29Å; K291-Q295 PolarHBondContact O-NE2 2.92Å | ||
| 292 | L | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -62.8 | -38.6 | 172.5 | -169.1 | 60.1 | 0 | 0 | 0 | 109.8 | L285 D294 Q295 I313 A316 M317 E320 | L285-L292 HydrophobicContact CD1-CB 3.74Å; L285-L292 HydrophobicContact CD1-CD1 4.24Å; L292-D294 PolarHBondContact O-N 2.95Å; L292-Q295 HydrophobicContact CD1-CG 4.26Å; L292-Q295 WeakPolarHBondContact O-CB 3.49Å; L292-Q295 WeakPolarHBondContact O-CG 3.42Å; L292-Q295 PolarHBondContact O-N 3.39Å; L292-I313 HydrophobicContact CD2-CG2 4.31Å; L292-A316 HydrophobicContact CD2-CB 3.4Å; L292-M317 HydrophobicContact CB-CG 4.4Å; L292-M317 HydrophobicContact CD2-CG 3.95Å; L292-M317 HydrophobicContact CG-CE 4.05Å; L292-M317 HydrophobicContact CG-CG 3.87Å; L292-M317 WeakPolarHBondContact O-CE 3.35Å; L292-E320 WeakPolarHBondContact CB-OE1 3.08Å; L292-E320 PolarHBondContact N-OE1 2.89Å; L292-E320 VanDerWaalsContact N-OE1 3.12Å; L292-E320 PolarHBondContact N-OE2 3.03Å |
| 293 | S | 97.1 | Very high | 97.7 | Very high | 27 Ų | 27 | 35.3 Ų | 35.3 | 19% | 0.189 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -59.2 | -12.3 | 173.1 | 69.3 | 0 | 0 | 0 | 0 | 115 | K291 E320 K330 | K291-S293 WeakPolarHBondContact CB-OG 3.36Å; K291-S293 PolarHBondContact O-N 3.47Å; S293-E320 WeakPolarHBondContact CB-OE2 3.23Å; S293-E320 PolarHBondContact N-OE2 3.25Å; S293-K330 WeakPolarHBondContact O-CE 3.36Å; S293-K330 PolarHBondContact O-NZ 2.86Å |
| 294 | D | 97.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 35.3 Ų | 35.3 | 46% | 0.46 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -91.3 | -13 | 177 | -57.7 | -32.3 | 0 | 0 | 0 | 111.9 | N290 K291 L292 | N290-D294 HydrophobicContact CB-CB 4.25Å; K291-D294 WeakPolarHBondContact CB-OD2 3.16Å; K291-D294 PolarHBondContact N-OD2 3.19Å; K291-D294 WeakPolarHBondContact O-CB 3.33Å; K291-D294 PolarHBondContact O-N 3.29Å; L292-D294 PolarHBondContact O-N 2.95Å |
| 295 | Q | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | trans | -78.1 | 154.9 | -175.2 | -52.2 | -49 | -53.7 | 0 | 0 | 112.8 | L285 N290 K291 L292 I297 K330 T374 | L285-Q295 HydrophobicContact CD2-CG 4.06Å; N290-Q295 PolarHBondContact ND2-NE2 3.08Å; N290-Q295 PolarHBondContact OD1-NE2 3.18Å; K291-Q295 PolarHBondContact O-NE2 2.92Å; L292-Q295 HydrophobicContact CD1-CG 4.26Å; L292-Q295 WeakPolarHBondContact O-CB 3.49Å; L292-Q295 WeakPolarHBondContact O-CG 3.42Å; L292-Q295 PolarHBondContact O-N 3.39Å; Q295-I297 HydrophobicContact CB-CD1 4.37Å; Q295-I297 HydrophobicContact CB-CG1 4.05Å; Q295-K330 WeakPolarHBondContact O-CD 3.42Å; Q295-K330 PolarHBondContact O-NZ 3.09Å; Q295-T374 WeakPolarHBondContact CA-OG1 3.38Å; Q295-T374 WeakPolarHBondContact CB-OG1 3.4Å; Q295-T374 VanDerWaalsContact OE1-CB 3.25Å; Q295-T374 PolarHBondContact OE1-OG1 3.14Å | ||
| 296 | T | 98.8 | Very high | 97 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 23% | 0.227 | 18% | 0.18 | C | C | . | . | trans | -124.5 | 123.2 | 161.9 | -62.5 | 0 | 0 | 0 | 0 | 107.2 | K330 I371 P373 T374 A375 | T296-K330 CarbonylContact C-O 3.5Å; T296-K330 WeakPolarHBondContact CA-O 2.93Å; T296-I371 HydrophobicContact CG2-CG2 3.96Å; T296-P373 HydrophobicContact CG2-CB 4.47Å; T296-P373 CarbonylContact O-C 3.09Å; T296-P373 WeakPolarHBondContact O-CA 3.39Å; T296-P373 WeakPolarHBondContact O-CB 3.49Å; T296-T374 PolarHBondContact N-OG1 2.81Å; T296-T374 PolarHBondContact O-N 3.39Å; T296-T374 PolarHBondContact O-OG1 3.15Å; T296-A375 PolarHBondContact O-N 3.28Å | ||
| 297 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124 | -165.8 | -50.6 | -178.8 | 0 | 0 | 0 | 109 | L281 Q295 F299 I313 M317 K330 I331 W332 A375 I377 | L281-I297 HydrophobicContact CD1-CD1 4.36Å; Q295-I297 HydrophobicContact CB-CD1 4.37Å; Q295-I297 HydrophobicContact CB-CG1 4.05Å; I297-F299 HydrophobicContact CB-CE2 4.4Å; I297-F299 HydrophobicContact CG2-CD2 4.09Å; I297-F299 HydrophobicContact CG2-CE2 3.51Å; I297-F299 HydrophobicContact CG2-CZ 3.96Å; I297-I313 HydrophobicContact CD1-CD1 3.69Å; I297-I313 HydrophobicContact CD1-CG1 4.46Å; I297-I313 HydrophobicContact CD1-CG2 3.73Å; I297-M317 HydrophobicContact CD1-CE 4.37Å; I297-K330 PolarHBondContact N-O 3.03Å; I297-I331 CarbonylContact O-C 3.33Å; I297-I331 WeakPolarHBondContact O-CA 3.3Å; I297-W332 PolarHBondContact O-N 2.72Å; I297-A375 WeakPolarHBondContact CA-O 3.4Å; I297-A375 HydrophobicContact CG1-CB 4.26Å; I297-A375 HydrophobicContact CG2-CB 4.27Å; I297-I377 HydrophobicContact CG2-CD1 3.72Å; I297-I377 HydrophobicContact CG2-CG1 4.25Å |
| 298 | L | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 125.2 | 176.7 | -179.6 | 63.4 | 0 | 0 | 0 | 109.9 | W332 V334 L339 I367 V368 P373 A375 L376 I377 | L298-W332 WeakPolarHBondContact CA-O 3.37Å; L298-W332 HydrophobicContact CD1-CB 3.62Å; L298-V334 HydrophobicContact CD1-CG2 3.93Å; L298-L339 HydrophobicContact CD1-CD1 4.49Å; L298-I367 HydrophobicContact CD1-CG2 3.89Å; L298-I367 HydrophobicContact CD2-CG2 3.84Å; L298-V368 HydrophobicContact CD2-CG2 3.69Å; L298-P373 HydrophobicContact CB-CB 3.66Å; L298-P373 HydrophobicContact CB-CG 3.65Å; L298-P373 HydrophobicContact CD2-CG 3.94Å; L298-P373 HydrophobicContact CG-CG 4.46Å; L298-A375 PolarHBondContact N-O 3.11Å; L298-L376 HydrophobicContact CB-CD1 4.11Å; L298-L376 HydrophobicContact CD2-CD1 3.91Å; L298-L376 HydrophobicContact CG-CD1 4Å; L298-L376 WeakPolarHBondContact O-CA 3.18Å; L298-I377 PolarHBondContact O-N 2.81Å |
| 299 | F | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.2 | 175 | -71.8 | -91.7 | 0 | 0 | 0 | 111.2 | I297 A306 I309 A310 I313 I331 W332 L333 V334 I377 | I297-F299 HydrophobicContact CB-CE2 4.4Å; I297-F299 HydrophobicContact CG2-CD2 4.09Å; I297-F299 HydrophobicContact CG2-CE2 3.51Å; I297-F299 HydrophobicContact CG2-CZ 3.96Å; F299-A306 HydrophobicContact CB-CB 4.49Å; F299-A306 HydrophobicContact CD1-CB 4.14Å; F299-A306 HydrophobicContact CG-CB 4.48Å; F299-I309 HydrophobicContact CE1-CB 3.88Å; F299-I309 HydrophobicContact CE1-CD1 4.06Å; F299-I309 HydrophobicContact CE1-CG2 3.77Å; F299-I309 HydrophobicContact CZ-CB 4Å; F299-I309 HydrophobicContact CZ-CG2 3.62Å; F299-A310 HydrophobicContact CE2-CB 4.21Å; F299-I313 HydrophobicContact CE2-CD1 4.37Å; F299-I313 HydrophobicContact CZ-CD1 3.89Å; F299-I331 HydrophobicContact CD2-CG2 3.9Å; F299-I331 HydrophobicContact CE2-CG2 3.74Å; F299-W332 PolarHBondContact N-O 2.84Å; F299-L333 HydrophobicContact CB-CD2 4.31Å; F299-L333 HydrophobicContact CB-CG 4.22Å; F299-L333 HydrophobicContact CD2-CG 4.37Å; F299-V334 WeakPolarHBondContact O-CB 3.3Å; F299-V334 PolarHBondContact O-N 3.27Å; F299-I377 CarbonylContact C-O 3.59Å; F299-I377 VanDerWaalsContact CA-O 3.29Å; F299-I377 WeakPolarHBondContact CA-O 3.24Å; F299-I377 HydrophobicContact CD1-CB 3.73Å; F299-I377 HydrophobicContact CD1-CG2 3.84Å; F299-I377 HydrophobicContact CE1-CB 3.74Å; F299-I377 HydrophobicContact CE1-CD1 3.72Å; F299-I377 HydrophobicContact CE1-CG1 4.28Å; F299-I377 HydrophobicContact CE1-CG2 3.66Å; F299-I377 HydrophobicContact CG-CB 4.48Å; F299-I377 HydrophobicContact CZ-CB 4.47Å; F299-I377 HydrophobicContact CZ-CD1 3.72Å |
| 300 | Q | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 20.1 Ų | 20.1 | 5% | 0.051 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 107.1 | 158.8 | -174.2 | -154.5 | -5.9 | 0 | 0 | 108.7 | L364 I377 V379 A380 A385 F386 | Q300-L364 HydrophobicContact CB-CD2 4.3Å; Q300-L364 HydrophobicContact CG-CD2 3.97Å; Q300-I377 PolarHBondContact N-O 3.26Å; Q300-V379 PolarHBondContact O-N 3.41Å; Q300-A380 HydrophobicContact CG-CB 4.05Å; Q300-A380 PolarHBondContact O-N 3.08Å; Q300-A385 VanDerWaalsContact CD-CB 3.5Å; Q300-F386 HydrophobicContact CB-CE1 4.08Å |
| 301 | G | 96.2 | Very high | 97 | Very high | 8 Ų | 8 | 20.7 Ų | 20.7 | 8% | 0.082 | 12% | 0.116 | C | C | . | . | trans | 113.9 | 143 | -169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A306 V334 | G301-A306 WeakPolarHBondContact O-CB 3.48Å; G301-V334 CarbonylContact C-O 3.57Å; G301-V334 WeakPolarHBondContact CA-O 3.35Å; G301-V334 PolarHBondContact N-O 3.24Å | ||
| 302 | A | 95.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 6% | 0.058 | 9% | 0.089 | C | C | . | . | trans | -138 | 39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L333 V334 D335 I340 K351 | A302-L333 HydrophobicContact CB-CB 4.17Å; A302-L333 HydrophobicContact CB-CD2 4.12Å; A302-V334 PolarHBondContact N-O 3.43Å; A302-D335 HydrophobicContact CB-CB 3.96Å; A302-I340 HydrophobicContact CB-CD1 4.42Å; A302-I340 HydrophobicContact CB-CG1 4.44Å; A302-K351 HydrophobicContact CB-CD 4.32Å; A302-K351 HydrophobicContact CB-CG 4.44Å; A302-K351 WeakPolarHBondContact O-CE 3.21Å | ||
| 303 | G | 92.4 | Very high | 97.1 | Very high | 19 Ų | 19 | 14.5 Ų | 14.5 | 20% | 0.196 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -93.9 | -160 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N249 A305 A306 L307 | N249-G303 WeakPolarHBondContact ND2-CA 3.43Å; G303-A305 PolarHBondContact O-N 2.9Å; G303-A306 PolarHBondContact O-N 2.96Å; G303-L307 WeakPolarHBondContact O-CB 3.39Å; G303-L307 WeakPolarHBondContact O-CG 3.17Å; G303-L307 PolarHBondContact O-N 3.23Å |
| 304 | E | 90.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -48.3 | -58.1 | 178.9 | -72.4 | 162.9 | -120 | 0 | 0 | 113.3 | R155 F247 N249 A252 F253 D269 I270 A306 L307 G308 | R155-E304 WeakPolarHBondContact CD-OE1 3.06Å; R155-E304 IonicContact CZ-OE1 2.9Å; R155-E304 IonicContact NE-OE1 2.6Å; R155-E304 IonicContact NH1-OE1 2.76Å; R155-E304 PolarHBondContact NH1-OE1 3.19Å; R155-E304 IonicContact NH1-OE2 3.61Å; F247-E304 VanDerWaalsContact O-OE1 3.11Å; N249-E304 WeakPolarHBondContact CA-OE1 3.37Å; N249-E304 HydrophobicContact CB-CG 4.13Å; N249-E304 VanDerWaalsContact CG-OE1 3.3Å; N249-E304 PolarHBondContact N-OE1 3.49Å; N249-E304 VanDerWaalsContact N-OE1 3.09Å; N249-E304 PolarHBondContact OD1-OE1 2.85Å; N249-E304 VanDerWaalsContact OD1-OE1 3.08Å; A252-E304 HydrophobicContact CB-CG 3.95Å; F253-E304 HydrophobicContact CD2-CG 4.35Å; F253-E304 HydrophobicContact CE2-CB 4.29Å; F253-E304 HydrophobicContact CE2-CG 3.92Å; D269-E304 WeakPolarHBondContact CB-OE2 3.1Å; I270-E304 HydrophobicContact CD1-CG 4.33Å; I270-E304 HydrophobicContact CG1-CB 3.73Å; I270-E304 HydrophobicContact CG1-CG 3.94Å; E304-A306 PolarHBondContact O-N 3.31Å; E304-L307 PolarHBondContact O-N 2.78Å; E304-G308 PolarHBondContact O-N 2.81Å |
| 305 | A | 93 | Very high | 97.2 | Very high | 17 Ų | 17 | 11.5 Ų | 11.5 | 14% | 0.14 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -56.8 | -53.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | T273 G303 L307 G308 I309 V379 | T273-A305 HydrophobicContact CG2-CB 3.67Å; G303-A305 PolarHBondContact O-N 2.9Å; A305-L307 PolarHBondContact O-N 3.14Å; A305-G308 PolarHBondContact O-N 2.91Å; A305-I309 WeakPolarHBondContact O-CB 3.49Å; A305-I309 WeakPolarHBondContact O-CD1 3.47Å; A305-I309 WeakPolarHBondContact O-CG1 3.35Å; A305-I309 PolarHBondContact O-N 2.9Å; A305-V379 HydrophobicContact CB-CB 4.05Å; A305-V379 HydrophobicContact CB-CG1 3.98Å; A305-V379 HydrophobicContact CB-CG2 4.42Å |
| 306 | A | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.5 | -47.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F299 G301 G303 E304 I309 A310 L333 V379 | F299-A306 HydrophobicContact CB-CB 4.49Å; F299-A306 HydrophobicContact CD1-CB 4.14Å; F299-A306 HydrophobicContact CG-CB 4.48Å; G301-A306 WeakPolarHBondContact O-CB 3.48Å; G303-A306 PolarHBondContact O-N 2.96Å; E304-A306 PolarHBondContact O-N 3.31Å; A306-I309 PolarHBondContact O-N 3.32Å; A306-A310 WeakPolarHBondContact O-CB 3.42Å; A306-A310 PolarHBondContact O-N 2.76Å; A306-L333 HydrophobicContact CB-CD2 3.97Å; A306-V379 HydrophobicContact CB-CG2 3.64Å |
| 307 | L | 96.8 | Very high | 97.2 | Very high | 12 Ų | 12 | 9.9 Ų | 9.9 | 6% | 0.063 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -70 | -37.4 | -178 | -69.9 | 167.8 | 0 | 0 | 0 | 111.5 | F253 G303 E304 A305 H311 L333 E350 K351 F354 | F253-L307 HydrophobicContact CE1-CB 4.4Å; F253-L307 HydrophobicContact CE2-CB 4.3Å; F253-L307 HydrophobicContact CE2-CD1 3.82Å; F253-L307 HydrophobicContact CZ-CB 3.65Å; F253-L307 HydrophobicContact CZ-CD1 4Å; F253-L307 HydrophobicContact CZ-CG 4.49Å; G303-L307 WeakPolarHBondContact O-CB 3.39Å; G303-L307 WeakPolarHBondContact O-CG 3.17Å; G303-L307 PolarHBondContact O-N 3.23Å; E304-L307 PolarHBondContact O-N 2.78Å; A305-L307 PolarHBondContact O-N 3.14Å; L307-H311 VanDerWaalsContact O-CB 3.31Å; L307-H311 WeakPolarHBondContact O-CB 3.46Å; L307-H311 PolarHBondContact O-N 3.21Å; L307-L333 HydrophobicContact CD2-CD2 4.17Å; L307-E350 HydrophobicContact CD1-CB 3.79Å; L307-E350 HydrophobicContact CD2-CB 4.2Å; L307-K351 HydrophobicContact CD2-CG 4.39Å; L307-F354 HydrophobicContact CD2-CD2 4.28Å; L307-F354 HydrophobicContact CD2-CE2 4.29Å |
| 308 | G | 97.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 13.6 Ų | 13.6 | 5% | 0.052 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.7 | -51.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | A274 E304 A305 A310 H311 L312 | A274-G308 VanDerWaalsContact CB-O 3.28Å; A274-G308 WeakPolarHBondContact CB-O 3.26Å; E304-G308 PolarHBondContact O-N 2.81Å; A305-G308 PolarHBondContact O-N 2.91Å; G308-A310 PolarHBondContact O-N 2.88Å; G308-H311 PolarHBondContact O-N 2.9Å; G308-L312 PolarHBondContact O-N 3.12Å |
| 309 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 178.1 | -59.5 | 161.9 | 0 | 0 | 0 | 109.9 | T273 A277 F299 A305 A306 H311 L312 I313 I377 V379 L406 | T273-I309 HydrophobicContact CG2-CD1 4.09Å; T273-I309 HydrophobicContact CG2-CG1 4.3Å; A277-I309 HydrophobicContact CB-CB 4.38Å; A277-I309 HydrophobicContact CB-CD1 3.76Å; A277-I309 HydrophobicContact CB-CG1 3.67Å; A277-I309 HydrophobicContact CB-CG2 3.72Å; F299-I309 HydrophobicContact CE1-CB 3.88Å; F299-I309 HydrophobicContact CE1-CD1 4.06Å; F299-I309 HydrophobicContact CE1-CG2 3.77Å; F299-I309 HydrophobicContact CZ-CB 4Å; F299-I309 HydrophobicContact CZ-CG2 3.62Å; A305-I309 WeakPolarHBondContact O-CB 3.49Å; A305-I309 WeakPolarHBondContact O-CD1 3.47Å; A305-I309 WeakPolarHBondContact O-CG1 3.35Å; A305-I309 PolarHBondContact O-N 2.9Å; A306-I309 PolarHBondContact O-N 3.32Å; I309-H311 VanDerWaalsContact C-N 3.34Å; I309-H311 PolarHBondContact O-N 2.6Å; I309-L312 PolarHBondContact O-N 3.05Å; I309-I313 HydrophobicContact CG2-CD1 3.63Å; I309-I313 HydrophobicContact CG2-CG1 4.21Å; I309-I313 VanDerWaalsContact O-CG1 3.27Å; I309-I313 WeakPolarHBondContact O-CG1 3.46Å; I309-I313 PolarHBondContact O-N 3.47Å; I309-I377 HydrophobicContact CD1-CG2 4.45Å; I309-V379 HydrophobicContact CD1-CG1 4.17Å; I309-L406 HydrophobicContact CD1-CD1 4.22Å |
| 310 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.7 | -44.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F299 A306 G308 I313 V314 I331 F354 | F299-A310 HydrophobicContact CE2-CB 4.21Å; A306-A310 WeakPolarHBondContact O-CB 3.42Å; A306-A310 PolarHBondContact O-N 2.76Å; G308-A310 PolarHBondContact O-N 2.88Å; A310-I313 PolarHBondContact O-N 3.16Å; A310-V314 WeakPolarHBondContact O-CG2 3.34Å; A310-V314 PolarHBondContact O-N 3.01Å; A310-I331 HydrophobicContact CB-CD1 4.4Å; A310-I331 HydrophobicContact CB-CG2 3.88Å; A310-I331 WeakPolarHBondContact O-CD1 3.32Å; A310-F354 HydrophobicContact CB-CE1 3.97Å; A310-F354 HydrophobicContact CB-CE2 4.04Å; A310-F354 HydrophobicContact CB-CZ 3.58Å |
| 311 | H | 98.2 | Very high | 97 | Very high | 69 Ų | 69 | 26.1 Ų | 26.1 | 32% | 0.319 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 176.1 | 174.7 | 75.1 | 0 | 0 | 0 | 112.2 | L307 G308 I309 V314 M315 D475 | L307-H311 VanDerWaalsContact O-CB 3.31Å; L307-H311 WeakPolarHBondContact O-CB 3.46Å; L307-H311 PolarHBondContact O-N 3.21Å; G308-H311 PolarHBondContact O-N 2.9Å; I309-H311 VanDerWaalsContact C-N 3.34Å; I309-H311 PolarHBondContact O-N 2.6Å; H311-V314 WeakPolarHBondContact O-CB 3.23Å; H311-V314 PolarHBondContact O-N 3.04Å; H311-M315 PolarHBondContact O-N 3.46Å; H311-M315 VanDerWaalsContact O-N 3.11Å; H311-D475 IonicContact CD2-OD2 3.72Å; H311-D475 IonicContact CE1-OD2 2.6Å; H311-D475 IonicContact NE2-OD2 2.74Å; H311-D475 PolarHBondContact NE2-OD2 3.41Å |
| 312 | L | 98.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.2 | -32.4 | -179.7 | -161.3 | 69.4 | 0 | 0 | 0 | 112.6 | A274 V278 G308 I309 M315 A316 D475 F478 L479 | A274-L312 VanDerWaalsContact C-CD2 3.48Å; A274-L312 HydrophobicContact CB-CB 3.87Å; A274-L312 HydrophobicContact CB-CD2 3.84Å; A274-L312 HydrophobicContact CB-CG 4.48Å; V278-L312 HydrophobicContact CB-CD2 4.12Å; V278-L312 HydrophobicContact CG2-CB 3.99Å; V278-L312 HydrophobicContact CG2-CD2 3.88Å; V278-L312 HydrophobicContact CG2-CG 4.02Å; G308-L312 PolarHBondContact O-N 3.12Å; I309-L312 PolarHBondContact O-N 3.05Å; L312-M315 HydrophobicContact CD1-SD 4.48Å; L312-M315 PolarHBondContact O-N 3.34Å; L312-A316 WeakPolarHBondContact O-CB 3.43Å; L312-A316 PolarHBondContact O-N 2.89Å; L312-D475 HydrophobicContact CD1-CB 4.44Å; L312-F478 HydrophobicContact CD1-CB 4.31Å; L312-F478 HydrophobicContact CD2-CB 4.23Å; L312-L479 HydrophobicContact CD1-CB 3.96Å |
| 313 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 170.6 | -70.5 | 167.4 | 0 | 0 | 0 | 110.7 | V278 L281 L292 I297 F299 I309 A310 M315 A316 M317 I331 | V278-I313 HydrophobicContact CG2-CG1 3.77Å; L281-I313 HydrophobicContact CD1-CD1 3.56Å; L281-I313 HydrophobicContact CD1-CG1 3.88Å; L292-I313 HydrophobicContact CD2-CG2 4.31Å; I297-I313 HydrophobicContact CD1-CD1 3.69Å; I297-I313 HydrophobicContact CD1-CG1 4.46Å; I297-I313 HydrophobicContact CD1-CG2 3.73Å; F299-I313 HydrophobicContact CE2-CD1 4.37Å; F299-I313 HydrophobicContact CZ-CD1 3.89Å; I309-I313 HydrophobicContact CG2-CD1 3.63Å; I309-I313 HydrophobicContact CG2-CG1 4.21Å; I309-I313 VanDerWaalsContact O-CG1 3.27Å; I309-I313 WeakPolarHBondContact O-CG1 3.46Å; I309-I313 PolarHBondContact O-N 3.47Å; A310-I313 PolarHBondContact O-N 3.16Å; I313-M315 VanDerWaalsContact C-N 3.3Å; I313-M315 PolarHBondContact O-N 3.48Å; I313-A316 WeakPolarHBondContact O-CB 3.44Å; I313-A316 PolarHBondContact O-N 2.81Å; I313-A316 VanDerWaalsContact O-N 3.15Å; I313-M317 HydrophobicContact CG2-CE 3.69Å; I313-M317 HydrophobicContact CG2-CG 4.48Å; I313-M317 HydrophobicContact CG2-SD 4.32Å; I313-M317 WeakPolarHBondContact O-CG 3.34Å; I313-M317 PolarHBondContact O-N 2.77Å; I313-I331 HydrophobicContact CB-CD1 4.17Å; I313-I331 HydrophobicContact CG2-CD1 3.83Å; I313-I331 HydrophobicContact CG2-CG1 4.38Å |
| 314 | V | 98.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.7 | -48 | 175.6 | 168.7 | 0 | 0 | 0 | 0 | 110.1 | A310 H311 A316 M317 E318 K324 A327 I328 I331 F354 | A310-V314 WeakPolarHBondContact O-CG2 3.34Å; A310-V314 PolarHBondContact O-N 3.01Å; H311-V314 WeakPolarHBondContact O-CB 3.23Å; H311-V314 PolarHBondContact O-N 3.04Å; V314-A316 VanDerWaalsContact C-N 3.31Å; V314-A316 PolarHBondContact O-N 3.36Å; V314-M317 PolarHBondContact O-N 2.68Å; V314-E318 HydrophobicContact CG1-CG 4.46Å; V314-E318 WeakPolarHBondContact O-CG 3.41Å; V314-E318 PolarHBondContact O-N 2.98Å; V314-K324 HydrophobicContact CG1-CG 3.75Å; V314-A327 HydrophobicContact CB-CB 4.42Å; V314-A327 HydrophobicContact CG1-CB 4.07Å; V314-A327 HydrophobicContact CG2-CB 4.34Å; V314-I328 HydrophobicContact CG1-CG1 4.43Å; V314-I328 HydrophobicContact CG2-CG1 3.95Å; V314-I331 HydrophobicContact CG2-CD1 3.59Å; V314-F354 HydrophobicContact CG2-CE1 4.06Å; V314-F354 HydrophobicContact CG2-CZ 4.49Å |
| 315 | M | 98.5 | Very high | 97.7 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 22% | 0.222 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62 | -37.2 | 177 | -71.1 | -175.3 | 60.4 | 0 | 0 | 113.1 | H311 L312 I313 E318 K319 D475 L479 | H311-M315 PolarHBondContact O-N 3.46Å; H311-M315 VanDerWaalsContact O-N 3.11Å; L312-M315 HydrophobicContact CD1-SD 4.48Å; L312-M315 PolarHBondContact O-N 3.34Å; I313-M315 VanDerWaalsContact C-N 3.3Å; I313-M315 PolarHBondContact O-N 3.48Å; M315-E318 PolarHBondContact O-N 3.19Å; M315-K319 PolarHBondContact O-N 3.25Å; M315-D475 HydrophobicContact CE-CB 3.74Å; M315-D475 HydrophobicContact SD-CB 3.43Å; M315-D475 WeakPolarHBondContact SD-CB 3.24Å; M315-L479 HydrophobicContact CB-CD2 4.44Å |
| 316 | A | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V278 L292 L312 I313 V314 K319 E320 L479 | V278-A316 HydrophobicContact CG1-CB 4.49Å; L292-A316 HydrophobicContact CD2-CB 3.4Å; L312-A316 WeakPolarHBondContact O-CB 3.43Å; L312-A316 PolarHBondContact O-N 2.89Å; I313-A316 WeakPolarHBondContact O-CB 3.44Å; I313-A316 PolarHBondContact O-N 2.81Å; I313-A316 VanDerWaalsContact O-N 3.15Å; V314-A316 VanDerWaalsContact C-N 3.31Å; V314-A316 PolarHBondContact O-N 3.36Å; A316-K319 WeakPolarHBondContact O-CB 3.44Å; A316-K319 PolarHBondContact O-N 3.04Å; A316-E320 PolarHBondContact O-N 2.81Å; A316-E320 VanDerWaalsContact O-N 3.13Å; A316-L479 HydrophobicContact CB-CD1 3.68Å |
| 317 | M | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 173.6 | -68.8 | 179.5 | -178.6 | 0 | 0 | 112.2 | L292 I297 I313 V314 K319 E320 G321 L322 A327 K330 | L292-M317 HydrophobicContact CB-CG 4.4Å; L292-M317 HydrophobicContact CD2-CG 3.95Å; L292-M317 HydrophobicContact CG-CE 4.05Å; L292-M317 HydrophobicContact CG-CG 3.87Å; L292-M317 WeakPolarHBondContact O-CE 3.35Å; I297-M317 HydrophobicContact CD1-CE 4.37Å; I313-M317 HydrophobicContact CG2-CE 3.69Å; I313-M317 HydrophobicContact CG2-CG 4.48Å; I313-M317 HydrophobicContact CG2-SD 4.32Å; I313-M317 WeakPolarHBondContact O-CG 3.34Å; I313-M317 PolarHBondContact O-N 2.77Å; V314-M317 PolarHBondContact O-N 2.68Å; M317-K319 VanDerWaalsContact C-N 3.3Å; M317-K319 PolarHBondContact O-N 3.39Å; M317-E320 WeakPolarHBondContact O-CB 3.23Å; M317-E320 PolarHBondContact O-N 3.19Å; M317-E320 VanDerWaalsContact O-N 3.16Å; M317-G321 PolarHBondContact O-N 3.29Å; M317-L322 HydrophobicContact CB-CB 4.27Å; M317-L322 HydrophobicContact CB-CD2 4.22Å; M317-L322 WeakPolarHBondContact O-CB 3.49Å; M317-L322 PolarHBondContact O-N 2.98Å; M317-L322 HydrophobicContact SD-CD2 4.14Å; M317-A327 HydrophobicContact CB-CB 3.75Å; M317-A327 HydrophobicContact CG-CB 4.38Å; M317-A327 HydrophobicContact SD-CB 3.71Å; M317-K330 HydrophobicContact CE-CB 4.06Å; M317-K330 HydrophobicContact CE-CD 4.05Å; M317-K330 HydrophobicContact SD-CB 4.41Å; M317-K330 HydrophobicContact SD-CD 4.03Å |
| 318 | E | 98.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 36% | 0.36 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 172.4 | -73.4 | -179.5 | 116.8 | 0 | 0 | 111.6 | V314 M315 E320 G321 L322 K324 | V314-E318 HydrophobicContact CG1-CG 4.46Å; V314-E318 WeakPolarHBondContact O-CG 3.41Å; V314-E318 PolarHBondContact O-N 2.98Å; M315-E318 PolarHBondContact O-N 3.19Å; E318-E320 VanDerWaalsContact C-N 3.29Å; E318-E320 PolarHBondContact O-N 3.44Å; E318-G321 WeakPolarHBondContact O-CA 3.39Å; E318-G321 PolarHBondContact O-N 3.44Å; E318-L322 VanDerWaalsContact CA-O 3.3Å; E318-L322 WeakPolarHBondContact CA-O 3.12Å; E318-K324 HydrophobicContact CG-CB 4.42Å; E318-K324 VanDerWaalsContact OE1-CB 3.24Å; E318-K324 WeakPolarHBondContact OE1-CB 3.24Å |
| 319 | K | 97.7 | Very high | 98.2 | Very high | 123 Ų | 123 | 55.5 Ų | 55.5 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.8 | -30.8 | 174.1 | -170 | 176.3 | 178.6 | 178.3 | 0 | 112.6 | M315 A316 M317 G321 L479 E483 | M315-K319 PolarHBondContact O-N 3.25Å; A316-K319 WeakPolarHBondContact O-CB 3.44Å; A316-K319 PolarHBondContact O-N 3.04Å; M317-K319 VanDerWaalsContact C-N 3.3Å; M317-K319 PolarHBondContact O-N 3.39Å; K319-G321 PolarHBondContact O-N 3.44Å; K319-L479 HydrophobicContact CB-CD2 4.44Å; K319-L479 HydrophobicContact CD-CD2 3.94Å; K319-E483 WeakPolarHBondContact CD-OE1 3.32Å; K319-E483 WeakPolarHBondContact CE-OE1 3.36Å; K319-E483 IonicContact NZ-OE1 2.68Å; K319-E483 PolarHBondContact NZ-OE1 3.11Å; K319-E483 IonicContact NZ-OE2 3.53Å; K319-E483 PolarHBondContact NZ-OE2 3.01Å |
| 320 | E | 96.8 | Very high | 98.2 | Very high | 88 Ų | 88 | 57.7 Ų | 57.7 | 41% | 0.411 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -7.8 | 169.7 | -67.5 | -175 | 163.3 | 0 | 0 | 113.4 | L292 S293 A316 M317 E318 | L292-E320 WeakPolarHBondContact CB-OE1 3.08Å; L292-E320 PolarHBondContact N-OE1 2.89Å; L292-E320 VanDerWaalsContact N-OE1 3.12Å; L292-E320 PolarHBondContact N-OE2 3.03Å; S293-E320 WeakPolarHBondContact CB-OE2 3.23Å; S293-E320 PolarHBondContact N-OE2 3.25Å; A316-E320 PolarHBondContact O-N 2.81Å; A316-E320 VanDerWaalsContact O-N 3.13Å; M317-E320 WeakPolarHBondContact O-CB 3.23Å; M317-E320 PolarHBondContact O-N 3.19Å; M317-E320 VanDerWaalsContact O-N 3.16Å; E318-E320 VanDerWaalsContact C-N 3.29Å; E318-E320 PolarHBondContact O-N 3.44Å |
| 321 | G | 97.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 57.7 Ų | 57.7 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | 5.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | M317 E318 K319 | M317-G321 PolarHBondContact O-N 3.29Å; E318-G321 WeakPolarHBondContact O-CA 3.39Å; E318-G321 PolarHBondContact O-N 3.44Å; K319-G321 PolarHBondContact O-N 3.44Å |
| 322 | L | 97.9 | Very high | 98.2 | Very high | 34 Ų | 34 | 56.1 Ų | 56.1 | 18% | 0.178 | 28% | 0.279 | C | S | . | . | trans | -80.8 | 124.8 | 177 | -170.1 | 68.9 | 0 | 0 | 0 | 110.4 | M317 E318 K326 A327 K330 | M317-L322 HydrophobicContact CB-CB 4.27Å; M317-L322 HydrophobicContact CB-CD2 4.22Å; M317-L322 WeakPolarHBondContact O-CB 3.49Å; M317-L322 PolarHBondContact O-N 2.98Å; M317-L322 HydrophobicContact SD-CD2 4.14Å; E318-L322 VanDerWaalsContact CA-O 3.3Å; E318-L322 WeakPolarHBondContact CA-O 3.12Å; L322-K326 HydrophobicContact CD1-CB 3.83Å; L322-K326 HydrophobicContact CD1-CD 4.07Å; L322-K326 HydrophobicContact CD2-CB 4.26Å; L322-K326 HydrophobicContact CG-CB 3.91Å; L322-A327 HydrophobicContact CD2-CB 4.08Å; L322-K330 HydrophobicContact CD2-CD 4.07Å | ||
| 323 | P | 98.1 | Very high | 98.2 | Very high | 75 Ų | 75 | 56 Ų | 56 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | trans | -58.7 | 143.4 | 177.6 | -24.9 | 33.9 | 0 | 0 | 0 | 112.6 | E325 K326 A327 | P323-E325 VanDerWaalsContact C-N 3.27Å; P323-E325 PolarHBondContact O-N 3.2Å; P323-E325 VanDerWaalsContact O-N 3.11Å; P323-K326 WeakPolarHBondContact O-CA 3.38Å; P323-K326 WeakPolarHBondContact O-CB 3.42Å; P323-K326 PolarHBondContact O-N 3.07Å; P323-A327 PolarHBondContact O-N 3.12Å | ||
| 324 | K | 97.8 | Very high | 98.2 | Very high | 106 Ų | 106 | 56.5 Ų | 56.5 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -43.9 | -48.5 | -178.5 | -161.8 | 172.3 | 179.8 | 168 | 0 | 114.6 | V314 E318 K326 A327 I328 | V314-K324 HydrophobicContact CG1-CG 3.75Å; E318-K324 HydrophobicContact CG-CB 4.42Å; E318-K324 VanDerWaalsContact OE1-CB 3.24Å; E318-K324 WeakPolarHBondContact OE1-CB 3.24Å; K324-K326 VanDerWaalsContact C-N 3.26Å; K324-K326 PolarHBondContact O-N 3.34Å; K324-A327 PolarHBondContact O-N 3.03Å; K324-A327 VanDerWaalsContact O-N 3.17Å; K324-I328 HydrophobicContact CG-CD1 4.01Å; K324-I328 WeakPolarHBondContact O-CG1 3.46Å; K324-I328 PolarHBondContact O-N 3.39Å |
| 325 | E | 97.1 | Very high | 98.1 | Very high | 160 Ų | 160 | 57.3 Ų | 57.3 | 75% | 0.748 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.1 | -33.6 | -177.7 | -62.6 | 177.6 | -177.6 | 0 | 0 | 112.5 | P323 K329 | P323-E325 VanDerWaalsContact C-N 3.27Å; P323-E325 PolarHBondContact O-N 3.2Å; P323-E325 VanDerWaalsContact O-N 3.11Å; E325-K329 WeakPolarHBondContact O-CG 3.35Å; E325-K329 PolarHBondContact O-N 3.06Å |
| 326 | K | 98.1 | Very high | 97.9 | Very high | 128 Ų | 128 | 60.5 Ų | 60.5 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -79 | -35.3 | 175.9 | -67.6 | -172.7 | 178.7 | -179.5 | 0 | 111.7 | L322 P323 K324 K329 | L322-K326 HydrophobicContact CD1-CB 3.83Å; L322-K326 HydrophobicContact CD1-CD 4.07Å; L322-K326 HydrophobicContact CD2-CB 4.26Å; L322-K326 HydrophobicContact CG-CB 3.91Å; P323-K326 WeakPolarHBondContact O-CA 3.38Å; P323-K326 WeakPolarHBondContact O-CB 3.42Å; P323-K326 PolarHBondContact O-N 3.07Å; K324-K326 VanDerWaalsContact C-N 3.26Å; K324-K326 PolarHBondContact O-N 3.34Å; K326-K329 PolarHBondContact O-N 3.32Å |
| 327 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V314 M317 L322 P323 K324 K329 K330 | V314-A327 HydrophobicContact CB-CB 4.42Å; V314-A327 HydrophobicContact CG1-CB 4.07Å; V314-A327 HydrophobicContact CG2-CB 4.34Å; M317-A327 HydrophobicContact CB-CB 3.75Å; M317-A327 HydrophobicContact CG-CB 4.38Å; M317-A327 HydrophobicContact SD-CB 3.71Å; L322-A327 HydrophobicContact CD2-CB 4.08Å; P323-A327 PolarHBondContact O-N 3.12Å; K324-A327 PolarHBondContact O-N 3.03Å; K324-A327 VanDerWaalsContact O-N 3.17Å; A327-K329 VanDerWaalsContact C-N 3.3Å; A327-K329 PolarHBondContact O-N 3.35Å; A327-K330 WeakPolarHBondContact O-CB 3.47Å; A327-K330 PolarHBondContact O-N 2.93Å; A327-K330 VanDerWaalsContact O-N 3.08Å |
| 328 | I | 98.4 | Very high | 97.7 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.7 | -42.5 | 176.4 | -75.3 | 169.8 | 0 | 0 | 0 | 111.5 | V314 K324 K330 I331 K353 F354 H356 | V314-I328 HydrophobicContact CG1-CG1 4.43Å; V314-I328 HydrophobicContact CG2-CG1 3.95Å; K324-I328 HydrophobicContact CG-CD1 4.01Å; K324-I328 WeakPolarHBondContact O-CG1 3.46Å; K324-I328 PolarHBondContact O-N 3.39Å; I328-K330 PolarHBondContact O-N 3.46Å; I328-I331 PolarHBondContact O-N 3.04Å; I328-I331 VanDerWaalsContact O-N 3.08Å; I328-K353 WeakPolarHBondContact CG2-O 3.29Å; I328-F354 HydrophobicContact CG1-CE1 4.34Å; I328-F354 HydrophobicContact CG2-CD1 4.17Å; I328-H356 PolarHBondContact O-CE1 3.26Å; I328-H356 PolarHBondContact O-NE2 2.86Å |
| 329 | K | 98.3 | Very high | 97.7 | Very high | 149 Ų | 149 | 61.8 Ų | 61.8 | 65% | 0.648 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -11.3 | 179 | -74.9 | 179.8 | 179.6 | -174.7 | 0 | 114.8 | E325 K326 A327 | E325-K329 WeakPolarHBondContact O-CG 3.35Å; E325-K329 PolarHBondContact O-N 3.06Å; K326-K329 PolarHBondContact O-N 3.32Å; A327-K329 VanDerWaalsContact C-N 3.3Å; A327-K329 PolarHBondContact O-N 3.35Å |
| 330 | K | 98.6 | Very high | 97.7 | Very high | 47 Ų | 47 | 56 Ų | 56 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -4.2 | 178.1 | -70.1 | 177.6 | 157.5 | -82.2 | 0 | 113.5 | S293 Q295 T296 I297 M317 L322 A327 I328 | S293-K330 WeakPolarHBondContact O-CE 3.36Å; S293-K330 PolarHBondContact O-NZ 2.86Å; Q295-K330 WeakPolarHBondContact O-CD 3.42Å; Q295-K330 PolarHBondContact O-NZ 3.09Å; T296-K330 CarbonylContact C-O 3.5Å; T296-K330 WeakPolarHBondContact CA-O 2.93Å; I297-K330 PolarHBondContact N-O 3.03Å; M317-K330 HydrophobicContact CE-CB 4.06Å; M317-K330 HydrophobicContact CE-CD 4.05Å; M317-K330 HydrophobicContact SD-CB 4.41Å; M317-K330 HydrophobicContact SD-CD 4.03Å; L322-K330 HydrophobicContact CD2-CD 4.07Å; A327-K330 WeakPolarHBondContact O-CB 3.47Å; A327-K330 PolarHBondContact O-N 2.93Å; A327-K330 VanDerWaalsContact O-N 3.08Å; I328-K330 PolarHBondContact O-N 3.46Å |
| 331 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.1 | -172.3 | -61.3 | 165.8 | 0 | 0 | 0 | 110.1 | I297 F299 A310 I313 V314 I328 L333 F354 H356 | I297-I331 CarbonylContact O-C 3.33Å; I297-I331 WeakPolarHBondContact O-CA 3.3Å; F299-I331 HydrophobicContact CD2-CG2 3.9Å; F299-I331 HydrophobicContact CE2-CG2 3.74Å; A310-I331 HydrophobicContact CB-CD1 4.4Å; A310-I331 HydrophobicContact CB-CG2 3.88Å; A310-I331 WeakPolarHBondContact O-CD1 3.32Å; I313-I331 HydrophobicContact CB-CD1 4.17Å; I313-I331 HydrophobicContact CG2-CD1 3.83Å; I313-I331 HydrophobicContact CG2-CG1 4.38Å; V314-I331 HydrophobicContact CG2-CD1 3.59Å; I328-I331 PolarHBondContact O-N 3.04Å; I328-I331 VanDerWaalsContact O-N 3.08Å; I331-L333 HydrophobicContact CG2-CD1 4.21Å; I331-F354 HydrophobicContact CB-CD1 4.08Å; I331-F354 HydrophobicContact CB-CE1 4.22Å; I331-F354 HydrophobicContact CD1-CE1 4.02Å; I331-F354 HydrophobicContact CG2-CD1 4.04Å; I331-F354 HydrophobicContact CG2-CE1 4.17Å; I331-H356 PolarHBondContact O-NE2 3.08Å |
| 332 | W | 98.9 | Very high | 97.8 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139.2 | 179.5 | -62.2 | 84 | 0 | 0 | 0 | 109.5 | I297 L298 F299 L339 H356 H358 I371 | I297-W332 PolarHBondContact O-N 2.72Å; L298-W332 WeakPolarHBondContact CA-O 3.37Å; L298-W332 HydrophobicContact CD1-CB 3.62Å; F299-W332 PolarHBondContact N-O 2.84Å; W332-L339 HydrophobicContact CB-CD1 4.49Å; W332-L339 HydrophobicContact CE3-CD1 4.14Å; W332-L339 HydrophobicContact CE3-CD2 4.27Å; W332-L339 HydrophobicContact CE3-CG 4.48Å; W332-L339 HydrophobicContact CZ3-CD2 4.37Å; W332-H356 AromaticContact CD2-CD2 3.6Å; W332-H356 AromaticContact CE2-CD2 3.72Å; W332-H356 HydrophobicContact CE3-CB 4.49Å; W332-H356 AromaticContact CE3-CD2 3.5Å; W332-H356 HydrophobicContact CH2-CB 3.61Å; W332-H356 AromaticContact CH2-CD2 3.7Å; W332-H356 AromaticContact CH2-CG 3.91Å; W332-H356 HydrophobicContact CZ2-CB 4.33Å; W332-H356 AromaticContact CZ2-CD2 3.78Å; W332-H356 HydrophobicContact CZ3-CB 3.71Å; W332-H356 AromaticContact CZ3-CD2 3.56Å; W332-H358 HydrophobicContact CH2-CB 4.15Å; W332-H358 AromaticContact CH2-CD2 3.94Å; W332-H358 HydrophobicContact CZ3-CB 3.87Å; W332-I371 HydrophobicContact CB-CG2 4.47Å; W332-I371 HydrophobicContact CD2-CD1 3.71Å; W332-I371 HydrophobicContact CD2-CG1 4.35Å; W332-I371 HydrophobicContact CD2-CG2 4.32Å; W332-I371 HydrophobicContact CE3-CD1 3.71Å; W332-I371 HydrophobicContact CG-CD1 4.33Å; W332-I371 HydrophobicContact CG-CG1 4.49Å; W332-I371 HydrophobicContact CG-CG2 3.89Å; W332-I371 HydrophobicContact CH2-CD1 4.09Å; W332-I371 HydrophobicContact CZ2-CD1 4.1Å; W332-I371 HydrophobicContact CZ3-CD1 3.9Å |
| 333 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 148.1 | 179 | -60.8 | 105.4 | 0 | 0 | 0 | 111.1 | F299 A302 A306 L307 I331 I340 F354 | F299-L333 HydrophobicContact CB-CD2 4.31Å; F299-L333 HydrophobicContact CB-CG 4.22Å; F299-L333 HydrophobicContact CD2-CG 4.37Å; A302-L333 HydrophobicContact CB-CB 4.17Å; A302-L333 HydrophobicContact CB-CD2 4.12Å; A306-L333 HydrophobicContact CB-CD2 3.97Å; L307-L333 HydrophobicContact CD2-CD2 4.17Å; I331-L333 HydrophobicContact CG2-CD1 4.21Å; L333-I340 HydrophobicContact CB-CB 4.34Å; L333-I340 HydrophobicContact CB-CG1 3.7Å; L333-I340 WeakPolarHBondContact O-CG1 3.43Å; L333-I340 PolarHBondContact O-N 3.37Å; L333-F354 HydrophobicContact CD1-CB 3.22Å; L333-F354 HydrophobicContact CD1-CD1 4.12Å; L333-F354 HydrophobicContact CD1-CD2 3.74Å; L333-F354 HydrophobicContact CD1-CG 3.45Å; L333-F354 VanDerWaalsContact CD1-CG 3.45Å |
| 334 | V | 98.3 | Very high | 97.4 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.4 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | L298 F299 G301 A302 G338 L339 L364 I367 | L298-V334 HydrophobicContact CD1-CG2 3.93Å; F299-V334 WeakPolarHBondContact O-CB 3.3Å; F299-V334 PolarHBondContact O-N 3.27Å; G301-V334 CarbonylContact C-O 3.57Å; G301-V334 WeakPolarHBondContact CA-O 3.35Å; G301-V334 PolarHBondContact N-O 3.24Å; A302-V334 PolarHBondContact N-O 3.43Å; V334-G338 WeakPolarHBondContact CA-O 3.34Å; V334-L339 HydrophobicContact CG2-CD1 3.95Å; V334-L364 HydrophobicContact CG2-CD1 4.24Å; V334-I367 HydrophobicContact CG1-CD1 4.18Å; V334-I367 HydrophobicContact CG2-CD1 3.96Å; V334-I367 HydrophobicContact CG2-CG2 4.18Å |
| 335 | D | 96.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 12% | 0.118 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | -172 | 169.7 | 69.6 | 11.6 | 0 | 0 | 0 | 111.8 | A302 K337 G338 I340 R344 K351 | A302-D335 HydrophobicContact CB-CB 3.96Å; D335-K337 PolarHBondContact O-N 3.45Å; D335-K337 WeakPolarHBondContact OD1-CB 3.45Å; D335-K337 PolarHBondContact OD1-N 2.97Å; D335-G338 PolarHBondContact N-O 3.23Å; D335-G338 PolarHBondContact O-N 2.84Å; D335-G338 PolarHBondContact OD1-N 3.42Å; D335-I340 HydrophobicContact CB-CD1 4.33Å; D335-I340 WeakPolarHBondContact OD2-CD1 3.42Å; D335-R344 VanDerWaalsContact CG-NH2 3.31Å; D335-R344 IonicContact OD1-CZ 3.48Å; D335-R344 IonicContact OD1-NH1 2.99Å; D335-R344 PolarHBondContact OD1-NH1 3.39Å; D335-R344 IonicContact OD1-NH2 3.11Å; D335-R344 PolarHBondContact OD1-NH2 2.72Å; D335-R344 VanDerWaalsContact OD1-NH2 3.11Å; D335-R344 IonicContact OD2-CZ 2.65Å; D335-R344 IonicContact OD2-NH2 2.64Å; D335-R344 PolarHBondContact OD2-NH2 3.27Å; D335-K351 IonicContact OD2-NZ 3.17Å; D335-K351 PolarHBondContact OD2-NZ 3.09Å |
| 336 | S | 94.5 | Very high | 96.8 | Very high | 111 Ų | 111 | 48.9 Ų | 48.9 | 78% | 0.776 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.5 | -179.3 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 337 | K | 96.3 | Very high | 96.5 | Very high | 110 Ų | 110 | 44.2 Ų | 44.2 | 48% | 0.478 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -11.9 | 176 | -57.3 | -170.8 | -179.3 | 81 | 0 | 113 | D335 S346 | D335-K337 PolarHBondContact O-N 3.45Å; D335-K337 WeakPolarHBondContact OD1-CB 3.45Å; D335-K337 PolarHBondContact OD1-N 2.97Å; K337-S346 WeakPolarHBondContact CE-OG 3.44Å |
| 338 | G | 97.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.6 | -160.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V334 D335 R344 M361 | V334-G338 WeakPolarHBondContact CA-O 3.34Å; D335-G338 PolarHBondContact N-O 3.23Å; D335-G338 PolarHBondContact O-N 2.84Å; D335-G338 PolarHBondContact OD1-N 3.42Å; G338-R344 PolarHBondContact O-NH1 2.76Å; G338-M361 CarbonylContact C-O 3.6Å; G338-M361 VanDerWaalsContact CA-O 3.27Å; G338-M361 WeakPolarHBondContact CA-O 3.35Å |
| 339 | L | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 137.2 | 176.4 | -169.8 | 64.8 | 0 | 0 | 0 | 110.6 | L298 W332 V334 V341 R344 M361 I367 | L298-L339 HydrophobicContact CD1-CD1 4.49Å; W332-L339 HydrophobicContact CB-CD1 4.49Å; W332-L339 HydrophobicContact CE3-CD1 4.14Å; W332-L339 HydrophobicContact CE3-CD2 4.27Å; W332-L339 HydrophobicContact CE3-CG 4.48Å; W332-L339 HydrophobicContact CZ3-CD2 4.37Å; V334-L339 HydrophobicContact CG2-CD1 3.95Å; L339-V341 HydrophobicContact CB-CG1 4.19Å; L339-V341 HydrophobicContact CD2-CG1 3.69Å; L339-V341 HydrophobicContact CG-CG1 3.72Å; L339-V341 PolarHBondContact O-N 3.35Å; L339-R344 WeakPolarHBondContact O-CD 3.42Å; L339-R344 PolarHBondContact O-NH1 3.29Å; L339-M361 HydrophobicContact CB-CB 4.3Å; L339-M361 HydrophobicContact CD2-CB 4.48Å; L339-M361 HydrophobicContact CD2-SD 4.49Å; L339-M361 PolarHBondContact N-O 3.29Å; L339-I367 HydrophobicContact CB-CD1 4.02Å; L339-I367 HydrophobicContact CB-CG1 4.46Å; L339-I367 HydrophobicContact CD1-CG2 3.89Å |
| 340 | I | 98.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | trans | -77.8 | 110.9 | 172.2 | -56.4 | -51.5 | 0 | 0 | 0 | 108.1 | A302 L333 D335 R344 L347 K351 A355 | A302-I340 HydrophobicContact CB-CD1 4.42Å; A302-I340 HydrophobicContact CB-CG1 4.44Å; L333-I340 HydrophobicContact CB-CB 4.34Å; L333-I340 HydrophobicContact CB-CG1 3.7Å; L333-I340 WeakPolarHBondContact O-CG1 3.43Å; L333-I340 PolarHBondContact O-N 3.37Å; D335-I340 HydrophobicContact CB-CD1 4.33Å; D335-I340 WeakPolarHBondContact OD2-CD1 3.42Å; I340-R344 VanDerWaalsContact CD1-CZ 3.41Å; I340-L347 HydrophobicContact CD1-CD2 3.86Å; I340-L347 HydrophobicContact CG2-CD2 3.79Å; I340-K351 HydrophobicContact CD1-CD 4.03Å; I340-K351 HydrophobicContact CG2-CB 4.31Å; I340-A355 HydrophobicContact CG2-CB 3.95Å | ||
| 341 | V | 98.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -134.2 | 156.5 | 179.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | L339 G343 R344 H356 H358 E360 | L339-V341 HydrophobicContact CB-CG1 4.19Å; L339-V341 HydrophobicContact CD2-CG1 3.69Å; L339-V341 HydrophobicContact CG-CG1 3.72Å; L339-V341 PolarHBondContact O-N 3.35Å; V341-G343 PolarHBondContact O-N 3.01Å; V341-R344 HydrophobicContact CG2-CB 3.96Å; V341-R344 VanDerWaalsContact O-CB 3.22Å; V341-R344 WeakPolarHBondContact O-CB 3.47Å; V341-R344 PolarHBondContact O-N 2.91Å; V341-H356 CarbonylContact C-O 3.54Å; V341-H356 WeakPolarHBondContact CA-O 3.33Å; V341-H356 WeakPolarHBondContact CB-O 3.49Å; V341-H358 HydrophobicContact CB-CB 4.47Å; V341-H358 HydrophobicContact CG1-CB 3.82Å; V341-E360 HydrophobicContact CG2-CB 4.5Å; V341-E360 HydrophobicContact CG2-CG 3.63Å |
| 342 | K | 97.1 | Very high | 94.9 | Very high | 143 Ų | 143 | 51.2 Ų | 51.2 | 62% | 0.622 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 129.4 | -176.4 | -171.7 | -178.3 | -175.8 | -172.6 | 0 | 110.9 | R344 H356 | K342-R344 VanDerWaalsContact C-N 3.27Å; K342-R344 PolarHBondContact O-N 2.94Å; K342-H356 PolarHBondContact N-O 2.88Å |
| 343 | G | 92.9 | Very high | 94.7 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 73% | 0.732 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | -1.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V341 | V341-G343 PolarHBondContact O-N 3.01Š|
| 344 | R | 94.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 56 Ų | 56 | 5% | 0.053 | 31% | 0.313 | C | S | . | . | trans | -63.1 | 140.7 | 173.3 | -168.3 | -171.8 | 79 | 156.1 | 13.1 | 110.5 | D335 G338 L339 I340 V341 K342 L347 E360 | D335-R344 VanDerWaalsContact CG-NH2 3.31Å; D335-R344 IonicContact OD1-CZ 3.48Å; D335-R344 IonicContact OD1-NH1 2.99Å; D335-R344 PolarHBondContact OD1-NH1 3.39Å; D335-R344 IonicContact OD1-NH2 3.11Å; D335-R344 PolarHBondContact OD1-NH2 2.72Å; D335-R344 VanDerWaalsContact OD1-NH2 3.11Å; D335-R344 IonicContact OD2-CZ 2.65Å; D335-R344 IonicContact OD2-NH2 2.64Å; D335-R344 PolarHBondContact OD2-NH2 3.27Å; G338-R344 PolarHBondContact O-NH1 2.76Å; L339-R344 WeakPolarHBondContact O-CD 3.42Å; L339-R344 PolarHBondContact O-NH1 3.29Å; I340-R344 VanDerWaalsContact CD1-CZ 3.41Å; V341-R344 HydrophobicContact CG2-CB 3.96Å; V341-R344 VanDerWaalsContact O-CB 3.22Å; V341-R344 WeakPolarHBondContact O-CB 3.47Å; V341-R344 PolarHBondContact O-N 2.91Å; K342-R344 VanDerWaalsContact C-N 3.27Å; K342-R344 PolarHBondContact O-N 2.94Å; R344-L347 HydrophobicContact CB-CD1 4.22Å; R344-L347 HydrophobicContact CB-CG 4.49Å; R344-L347 WeakPolarHBondContact O-CG 3.43Å; R344-E360 HydrophobicContact CG-CG 4.29Å; R344-E360 WeakPolarHBondContact CG-OE1 3.48Å | ||
| 345 | A | 91.9 | Very high | 94.7 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 59% | 0.587 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -63.7 | 158.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 346 | S | 90.5 | Very high | 94.7 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 53% | 0.531 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 60.3 | 44.5 | 172.4 | -52.8 | 0 | 0 | 0 | 0 | 115.6 | K337 | K337-S346 WeakPolarHBondContact CE-OG 3.44Š|
| 347 | L | 91.5 | Very high | 94.9 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | trans | -95.7 | 143.5 | 171.2 | -65.4 | 178.2 | 0 | 0 | 0 | 111.2 | I340 R344 K351 E352 A355 | I340-L347 HydrophobicContact CD1-CD2 3.86Å; I340-L347 HydrophobicContact CG2-CD2 3.79Å; R344-L347 HydrophobicContact CB-CD1 4.22Å; R344-L347 HydrophobicContact CB-CG 4.49Å; R344-L347 WeakPolarHBondContact O-CG 3.43Å; L347-K351 HydrophobicContact CD2-CB 4.07Å; L347-K351 HydrophobicContact CD2-CD 4.44Å; L347-E352 HydrophobicContact CB-CG 3.85Å; L347-E352 VanDerWaalsContact CB-OE1 3.28Å; L347-E352 WeakPolarHBondContact CB-OE1 3.26Å; L347-E352 VanDerWaalsContact CD1-CD 3.43Å; L347-E352 HydrophobicContact CD1-CG 4.34Å; L347-E352 WeakPolarHBondContact CD1-OE1 3.4Å; L347-E352 WeakPolarHBondContact CD1-OE2 3.36Å; L347-A355 HydrophobicContact CD1-CB 4.12Å | ||
| 348 | T | 90.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 56.5 Ų | 56.5 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | trans | -91 | 162.3 | 168.3 | 68.9 | 0 | 0 | 0 | 0 | 109.3 | E350 K351 E352 | T348-E350 PolarHBondContact O-N 2.91Å; T348-E350 VanDerWaalsContact O-N 3.14Å; T348-E350 PolarHBondContact OG1-OE2 3.07Å; T348-K351 PolarHBondContact O-N 2.91Å; T348-K351 WeakPolarHBondContact OG1-CG 3.21Å; T348-K351 PolarHBondContact OG1-N 3.3Å; T348-E352 WeakPolarHBondContact O-CG 3.47Å; T348-E352 PolarHBondContact O-N 2.93Å | ||
| 349 | Q | 89.9 | Confident | 95 | Very high | 151 Ų | 151 | 63.9 Ų | 63.9 | 71% | 0.706 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55 | -34.8 | 178.6 | -172 | -177.1 | 8.7 | 0 | 0 | 112.6 | ||
| 350 | E | 90.5 | Very high | 94.9 | Very high | 45 Ų | 45 | 69.9 Ų | 69.9 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.6 | -37.8 | 177.7 | -63.5 | 70.4 | -153.7 | 0 | 0 | 112.3 | L307 T348 | L307-E350 HydrophobicContact CD1-CB 3.79Å; L307-E350 HydrophobicContact CD2-CB 4.2Å; T348-E350 PolarHBondContact O-N 2.91Å; T348-E350 VanDerWaalsContact O-N 3.14Å; T348-E350 PolarHBondContact OG1-OE2 3.07Å |
| 351 | K | 94.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 13% | 0.13 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -73.2 | -37.5 | 179.1 | -68.8 | 177.7 | 179 | -173.8 | 0 | 112.2 | A302 L307 D335 I340 L347 T348 K353 F354 A355 | A302-K351 HydrophobicContact CB-CD 4.32Å; A302-K351 HydrophobicContact CB-CG 4.44Å; A302-K351 WeakPolarHBondContact O-CE 3.21Å; L307-K351 HydrophobicContact CD2-CG 4.39Å; D335-K351 IonicContact OD2-NZ 3.17Å; D335-K351 PolarHBondContact OD2-NZ 3.09Å; I340-K351 HydrophobicContact CD1-CD 4.03Å; I340-K351 HydrophobicContact CG2-CB 4.31Å; L347-K351 HydrophobicContact CD2-CB 4.07Å; L347-K351 HydrophobicContact CD2-CD 4.44Å; T348-K351 PolarHBondContact O-N 2.91Å; T348-K351 WeakPolarHBondContact OG1-CG 3.21Å; T348-K351 PolarHBondContact OG1-N 3.3Å; K351-K353 PolarHBondContact O-N 3.03Å; K351-K353 VanDerWaalsContact O-N 3.13Å; K351-F354 PolarHBondContact O-N 3.25Å; K351-A355 PolarHBondContact O-N 2.86Å |
| 352 | E | 94.9 | Very high | 94.9 | Very high | 91 Ų | 91 | 79.5 Ų | 79.5 | 43% | 0.425 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55.3 | -30.8 | 178.4 | -73.7 | -71.6 | -174.6 | 0 | 0 | 112.9 | L347 T348 F354 A355 | L347-E352 HydrophobicContact CB-CG 3.85Å; L347-E352 VanDerWaalsContact CB-OE1 3.28Å; L347-E352 WeakPolarHBondContact CB-OE1 3.26Å; L347-E352 VanDerWaalsContact CD1-CD 3.43Å; L347-E352 HydrophobicContact CD1-CG 4.34Å; L347-E352 WeakPolarHBondContact CD1-OE1 3.4Å; L347-E352 WeakPolarHBondContact CD1-OE2 3.36Å; T348-E352 WeakPolarHBondContact O-CG 3.47Å; T348-E352 PolarHBondContact O-N 2.93Å; E352-F354 PolarHBondContact O-N 3.45Å; E352-F354 VanDerWaalsContact O-N 3.13Å; E352-A355 WeakPolarHBondContact O-CB 3.44Å; E352-A355 PolarHBondContact O-N 3.19Å; E352-A355 VanDerWaalsContact O-N 3.12Å |
| 353 | K | 95.4 | Very high | 94.9 | Very high | 123 Ų | 123 | 77 Ų | 77 | 54% | 0.535 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.1 | 178.3 | -61.9 | 173.7 | -167.7 | 172.3 | 0 | 113.5 | I328 K351 | I328-K353 WeakPolarHBondContact CG2-O 3.29Å; K351-K353 PolarHBondContact O-N 3.03Å; K351-K353 VanDerWaalsContact O-N 3.13Å |
| 354 | F | 97.8 | Very high | 95.2 | Very high | 13 Ų | 13 | 74.9 Ų | 74.9 | 6% | 0.057 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 11.6 | 179.6 | -59.8 | -80.9 | 0 | 0 | 0 | 112.4 | L307 A310 V314 I328 I331 L333 K351 E352 H356 | L307-F354 HydrophobicContact CD2-CD2 4.28Å; L307-F354 HydrophobicContact CD2-CE2 4.29Å; A310-F354 HydrophobicContact CB-CE1 3.97Å; A310-F354 HydrophobicContact CB-CE2 4.04Å; A310-F354 HydrophobicContact CB-CZ 3.58Å; V314-F354 HydrophobicContact CG2-CE1 4.06Å; V314-F354 HydrophobicContact CG2-CZ 4.49Å; I328-F354 HydrophobicContact CG1-CE1 4.34Å; I328-F354 HydrophobicContact CG2-CD1 4.17Å; I331-F354 HydrophobicContact CB-CD1 4.08Å; I331-F354 HydrophobicContact CB-CE1 4.22Å; I331-F354 HydrophobicContact CD1-CE1 4.02Å; I331-F354 HydrophobicContact CG2-CD1 4.04Å; I331-F354 HydrophobicContact CG2-CE1 4.17Å; L333-F354 HydrophobicContact CD1-CB 3.22Å; L333-F354 HydrophobicContact CD1-CD1 4.12Å; L333-F354 HydrophobicContact CD1-CD2 3.74Å; L333-F354 HydrophobicContact CD1-CG 3.45Å; L333-F354 VanDerWaalsContact CD1-CG 3.45Å; K351-F354 PolarHBondContact O-N 3.25Å; E352-F354 PolarHBondContact O-N 3.45Å; E352-F354 VanDerWaalsContact O-N 3.13Å; F354-H356 PolarHBondContact O-CD2 2.95Å; F354-H356 PolarHBondContact O-N 3.5Å; F354-H356 VanDerWaalsContact O-N 3.16Å; F354-H356 PolarHBondContact O-NE2 3.39Å |
| 355 | A | 97.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 77.4 Ų | 77.4 | 13% | 0.132 | 39% | 0.389 | C | S | . | . | trans | -81 | 94.5 | -180 | 0 | 0 | 0 | 0 | 0 | 110.3 | I340 L347 K351 E352 | I340-A355 HydrophobicContact CG2-CB 3.95Å; L347-A355 HydrophobicContact CD1-CB 4.12Å; K351-A355 PolarHBondContact O-N 2.86Å; E352-A355 WeakPolarHBondContact O-CB 3.44Å; E352-A355 PolarHBondContact O-N 3.19Å; E352-A355 VanDerWaalsContact O-N 3.12Å | ||
| 356 | H | 96.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 75.7 Ų | 75.7 | 11% | 0.106 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 155.6 | 177.9 | -52 | -53 | 0 | 0 | 0 | 111.5 | I328 I331 W332 V341 K342 F354 H358 | I328-H356 PolarHBondContact O-CE1 3.26Å; I328-H356 PolarHBondContact O-NE2 2.86Å; I331-H356 PolarHBondContact O-NE2 3.08Å; W332-H356 AromaticContact CD2-CD2 3.6Å; W332-H356 AromaticContact CE2-CD2 3.72Å; W332-H356 HydrophobicContact CE3-CB 4.49Å; W332-H356 AromaticContact CE3-CD2 3.5Å; W332-H356 HydrophobicContact CH2-CB 3.61Å; W332-H356 AromaticContact CH2-CD2 3.7Å; W332-H356 AromaticContact CH2-CG 3.91Å; W332-H356 HydrophobicContact CZ2-CB 4.33Å; W332-H356 AromaticContact CZ2-CD2 3.78Å; W332-H356 HydrophobicContact CZ3-CB 3.71Å; W332-H356 AromaticContact CZ3-CD2 3.56Å; V341-H356 CarbonylContact C-O 3.54Å; V341-H356 WeakPolarHBondContact CA-O 3.33Å; V341-H356 WeakPolarHBondContact CB-O 3.49Å; K342-H356 PolarHBondContact N-O 2.88Å; F354-H356 PolarHBondContact O-CD2 2.95Å; F354-H356 PolarHBondContact O-N 3.5Å; F354-H356 VanDerWaalsContact O-N 3.16Å; F354-H356 PolarHBondContact O-NE2 3.39Å; H356-H358 PolarHBondContact O-N 3.26Å; H356-H358 VanDerWaalsContact O-N 3.17Å |
| 357 | E | 97.9 | Very high | 96 | Very high | 170 Ų | 170 | 72 Ų | 72 | 79% | 0.794 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -70.1 | 109.1 | 168.2 | -174.7 | 171.8 | -173.8 | 0 | 0 | 109.1 | ||
| 358 | H | 98.2 | Very high | 96.4 | Very high | 55 Ų | 55 | 70.6 Ų | 70.6 | 26% | 0.255 | 34% | 0.342 | S | S | . | . | trans | -163.6 | 157.4 | -177.4 | -168.1 | -78.3 | 0 | 0 | 0 | 109.2 | W332 V341 H356 | W332-H358 HydrophobicContact CH2-CB 4.15Å; W332-H358 AromaticContact CH2-CD2 3.94Å; W332-H358 HydrophobicContact CZ3-CB 3.87Å; V341-H358 HydrophobicContact CB-CB 4.47Å; V341-H358 HydrophobicContact CG1-CB 3.82Å; H356-H358 PolarHBondContact O-N 3.26Å; H356-H358 VanDerWaalsContact O-N 3.17Å | ||
| 359 | E | 97.5 | Very high | 96.8 | Very high | 158 Ų | 158 | 71.9 Ų | 71.9 | 74% | 0.738 | 34% | 0.343 | S | S | * | . | trans | -62.2 | 143.6 | 173 | -170.3 | 173.9 | 177.3 | 0 | 0 | 111.5 | M361 | E359-M361 PolarHBondContact O-N 2.95Š| ||
| 360 | E | 97.8 | Very high | 97.2 | Very high | 125 Ų | 125 | 70.2 Ų | 70.2 | 58% | 0.584 | 34% | 0.336 | S | S | * | . | trans | -65.8 | 125.7 | 173.1 | -72.2 | -168.9 | -166.8 | 0 | 0 | 110.4 | V341 R344 | V341-E360 HydrophobicContact CG2-CB 4.5Å; V341-E360 HydrophobicContact CG2-CG 3.63Å; R344-E360 HydrophobicContact CG-CG 4.29Å; R344-E360 WeakPolarHBondContact CG-OE1 3.48Å | ||
| 361 | M | 98.3 | Very high | 97.6 | Very high | 41 Ų | 41 | 69.1 Ų | 69.1 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | trans | -129.4 | 141.5 | 178.3 | -60.3 | -177.1 | 85.9 | 0 | 0 | 110 | G338 L339 E359 A366 I367 E370 | G338-M361 CarbonylContact C-O 3.6Å; G338-M361 VanDerWaalsContact CA-O 3.27Å; G338-M361 WeakPolarHBondContact CA-O 3.35Å; L339-M361 HydrophobicContact CB-CB 4.3Å; L339-M361 HydrophobicContact CD2-CB 4.48Å; L339-M361 HydrophobicContact CD2-SD 4.49Å; L339-M361 PolarHBondContact N-O 3.29Å; E359-M361 PolarHBondContact O-N 2.95Å; M361-A366 HydrophobicContact CE-CB 3.83Å; M361-I367 HydrophobicContact CB-CD1 4Å; M361-I367 HydrophobicContact CB-CG1 3.49Å; M361-I367 VanDerWaalsContact CB-CG1 3.49Å; M361-I367 HydrophobicContact CE-CG1 4.44Å; M361-I367 HydrophobicContact CG-CG1 4.41Å; M361-I367 HydrophobicContact SD-CG1 4.07Å; M361-E370 HydrophobicContact CE-CB 3.97Å; M361-E370 HydrophobicContact CE-CG 4.43Å; M361-E370 HydrophobicContact SD-CB 4.01Å; M361-E370 HydrophobicContact SD-CG 4.07Å | ||
| 362 | K | 96.7 | Very high | 97.8 | Very high | 164 Ų | 164 | 73.6 Ų | 73.6 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | trans | -113.1 | -35.9 | -179.6 | -169.7 | 178.1 | 179.2 | -178.2 | 0 | 114 | ||||
| 363 | N | 97.9 | Very high | 98 | Very high | 91 Ų | 91 | 69.3 Ų | 69.3 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | trans | -79.4 | 122.8 | -176.7 | 177.6 | -74.8 | 0 | 0 | 0 | 110.4 | E365 A366 I367 | N363-E365 PolarHBondContact O-N 3.02Å; N363-E365 WeakPolarHBondContact OD1-CA 3.36Å; N363-E365 VanDerWaalsContact OD1-CB 3.31Å; N363-E365 WeakPolarHBondContact OD1-CB 3.29Å; N363-E365 PolarHBondContact OD1-N 3.21Å; N363-A366 HydrophobicContact CB-CB 4.19Å; N363-A366 PolarHBondContact O-N 3.03Å; N363-A366 PolarHBondContact OD1-N 3.22Å; N363-I367 VanDerWaalsContact O-CG1 3.27Å; N363-I367 WeakPolarHBondContact O-CG1 3.27Å; N363-I367 PolarHBondContact O-N 3.04Å | ||
| 364 | L | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.9 | -36.4 | -175.4 | -175 | 64 | 0 | 0 | 0 | 113.1 | Q300 V334 I367 V368 F386 I390 | Q300-L364 HydrophobicContact CB-CD2 4.3Å; Q300-L364 HydrophobicContact CG-CD2 3.97Å; V334-L364 HydrophobicContact CG2-CD1 4.24Å; L364-I367 PolarHBondContact O-N 2.93Å; L364-V368 VanDerWaalsContact O-CG2 3.29Å; L364-V368 WeakPolarHBondContact O-CG2 3.4Å; L364-V368 PolarHBondContact O-N 3.13Å; L364-F386 HydrophobicContact CD2-CD1 4.36Å; L364-F386 HydrophobicContact CD2-CE1 4.36Å; L364-I390 HydrophobicContact CB-CD1 4.25Å; L364-I390 HydrophobicContact CD2-CD1 3.74Å; L364-I390 HydrophobicContact CG-CD1 3.73Å |
| 365 | E | 98.4 | Very high | 98.2 | Very high | 67 Ų | 67 | 64 Ų | 64 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 175.6 | -75.1 | 169.5 | -174.3 | 0 | 0 | 111 | N363 I367 V368 Q369 S387 Q389 I390 | N363-E365 PolarHBondContact O-N 3.02Å; N363-E365 WeakPolarHBondContact OD1-CA 3.36Å; N363-E365 VanDerWaalsContact OD1-CB 3.31Å; N363-E365 WeakPolarHBondContact OD1-CB 3.29Å; N363-E365 PolarHBondContact OD1-N 3.21Å; E365-I367 VanDerWaalsContact C-N 3.34Å; E365-I367 PolarHBondContact O-N 2.68Å; E365-V368 PolarHBondContact O-N 3.35Å; E365-Q369 WeakPolarHBondContact O-CG 3.29Å; E365-Q369 PolarHBondContact O-N 3.48Å; E365-S387 WeakPolarHBondContact OE1-CB 3.43Å; E365-S387 PolarHBondContact OE1-OG 3.13Å; E365-Q389 HydrophobicContact CG-CB 4.45Å; E365-I390 HydrophobicContact CB-CG1 4.3Å; E365-I390 HydrophobicContact CG-CD1 3.91Å; E365-I390 HydrophobicContact CG-CG1 3.42Å; E365-I390 VanDerWaalsContact CG-CG1 3.42Å |
| 366 | A | 98.4 | Very high | 98.3 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | M361 N363 V368 Q369 E370 | M361-A366 HydrophobicContact CE-CB 3.83Å; N363-A366 HydrophobicContact CB-CB 4.19Å; N363-A366 PolarHBondContact O-N 3.03Å; N363-A366 PolarHBondContact OD1-N 3.22Å; A366-V368 VanDerWaalsContact C-N 3.35Å; A366-V368 PolarHBondContact O-N 2.89Å; A366-Q369 PolarHBondContact O-N 2.93Å; A366-E370 WeakPolarHBondContact O-CB 3.47Å; A366-E370 PolarHBondContact O-N 3.11Å |
| 367 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 175.7 | -67.5 | 163.8 | 0 | 0 | 0 | 110.8 | L298 V334 L339 M361 N363 L364 E365 Q369 E370 I371 | L298-I367 HydrophobicContact CD1-CG2 3.89Å; L298-I367 HydrophobicContact CD2-CG2 3.84Å; V334-I367 HydrophobicContact CG1-CD1 4.18Å; V334-I367 HydrophobicContact CG2-CD1 3.96Å; V334-I367 HydrophobicContact CG2-CG2 4.18Å; L339-I367 HydrophobicContact CB-CD1 4.02Å; L339-I367 HydrophobicContact CB-CG1 4.46Å; L339-I367 HydrophobicContact CD1-CG2 3.89Å; M361-I367 HydrophobicContact CB-CD1 4Å; M361-I367 HydrophobicContact CB-CG1 3.49Å; M361-I367 VanDerWaalsContact CB-CG1 3.49Å; M361-I367 HydrophobicContact CE-CG1 4.44Å; M361-I367 HydrophobicContact CG-CG1 4.41Å; M361-I367 HydrophobicContact SD-CG1 4.07Å; N363-I367 VanDerWaalsContact O-CG1 3.27Å; N363-I367 WeakPolarHBondContact O-CG1 3.27Å; N363-I367 PolarHBondContact O-N 3.04Å; L364-I367 PolarHBondContact O-N 2.93Å; E365-I367 VanDerWaalsContact C-N 3.34Å; E365-I367 PolarHBondContact O-N 2.68Å; I367-Q369 VanDerWaalsContact C-N 3.31Å; I367-Q369 PolarHBondContact O-N 3.1Å; I367-E370 PolarHBondContact O-N 3.44Å; I367-I371 HydrophobicContact CG2-CG1 3.96Å; I367-I371 WeakPolarHBondContact O-CB 3.45Å; I367-I371 VanDerWaalsContact O-CG1 3.29Å; I367-I371 WeakPolarHBondContact O-CG1 3.22Å; I367-I371 PolarHBondContact O-N 3.2Å |
| 368 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 177.6 | 167.4 | 0 | 0 | 0 | 0 | 111 | L298 L364 E365 A366 K372 P373 L376 I390 D393 M394 F397 | L298-V368 HydrophobicContact CD2-CG2 3.69Å; L364-V368 VanDerWaalsContact O-CG2 3.29Å; L364-V368 WeakPolarHBondContact O-CG2 3.4Å; L364-V368 PolarHBondContact O-N 3.13Å; E365-V368 PolarHBondContact O-N 3.35Å; A366-V368 VanDerWaalsContact C-N 3.35Å; A366-V368 PolarHBondContact O-N 2.89Å; V368-K372 WeakPolarHBondContact O-CA 3.42Å; V368-K372 PolarHBondContact O-N 3.06Å; V368-P373 WeakPolarHBondContact O-CD 3.32Å; V368-L376 HydrophobicContact CG2-CD1 4.38Å; V368-I390 HydrophobicContact CG1-CG2 4.43Å; V368-I390 HydrophobicContact CG2-CD1 4.45Å; V368-I390 HydrophobicContact CG2-CG2 4.13Å; V368-D393 HydrophobicContact CG1-CB 4.27Å; V368-M394 HydrophobicContact CG1-CG 4.27Å; V368-M394 HydrophobicContact CG1-SD 4.07Å; V368-F397 HydrophobicContact CG1-CE2 4.14Å; V368-F397 WeakPolarHBondContact O-CE2 3.39Å |
| 369 | Q | 98.7 | Very high | 98.3 | Very high | 85 Ų | 85 | 52.7 Ų | 52.7 | 40% | 0.397 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.6 | -33.8 | 178.8 | -70.2 | 171.7 | -0.3 | 0 | 0 | 113.5 | E365 A366 I367 K372 D393 F397 | E365-Q369 WeakPolarHBondContact O-CG 3.29Å; E365-Q369 PolarHBondContact O-N 3.48Å; A366-Q369 PolarHBondContact O-N 2.93Å; I367-Q369 VanDerWaalsContact C-N 3.31Å; I367-Q369 PolarHBondContact O-N 3.1Å; Q369-K372 WeakPolarHBondContact O-CE 3.37Å; Q369-K372 WeakPolarHBondContact O-CG 3.25Å; Q369-D393 WeakPolarHBondContact CG-OD2 3.48Å; Q369-D393 PolarHBondContact NE2-OD2 2.95Å; Q369-F397 HydrophobicContact CG-CZ 4.3Å |
| 370 | E | 98.6 | Very high | 98.1 | Very high | 116 Ų | 116 | 47 Ų | 47 | 54% | 0.542 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -76.9 | -53.3 | 178.1 | -173.9 | 58.4 | -149.7 | 0 | 0 | 111.4 | M361 A366 I367 K372 | M361-E370 HydrophobicContact CE-CB 3.97Å; M361-E370 HydrophobicContact CE-CG 4.43Å; M361-E370 HydrophobicContact SD-CB 4.01Å; M361-E370 HydrophobicContact SD-CG 4.07Å; A366-E370 WeakPolarHBondContact O-CB 3.47Å; A366-E370 PolarHBondContact O-N 3.11Å; I367-E370 PolarHBondContact O-N 3.44Å; E370-K372 PolarHBondContact O-N 3.07Å |
| 371 | I | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.6 | -29.7 | -175.6 | -58.9 | -54.6 | 0 | 0 | 0 | 112 | T296 W332 I367 P373 | T296-I371 HydrophobicContact CG2-CG2 3.96Å; W332-I371 HydrophobicContact CB-CG2 4.47Å; W332-I371 HydrophobicContact CD2-CD1 3.71Å; W332-I371 HydrophobicContact CD2-CG1 4.35Å; W332-I371 HydrophobicContact CD2-CG2 4.32Å; W332-I371 HydrophobicContact CE3-CD1 3.71Å; W332-I371 HydrophobicContact CG-CD1 4.33Å; W332-I371 HydrophobicContact CG-CG1 4.49Å; W332-I371 HydrophobicContact CG-CG2 3.89Å; W332-I371 HydrophobicContact CH2-CD1 4.09Å; W332-I371 HydrophobicContact CZ2-CD1 4.1Å; W332-I371 HydrophobicContact CZ3-CD1 3.9Å; I367-I371 HydrophobicContact CG2-CG1 3.96Å; I367-I371 WeakPolarHBondContact O-CB 3.45Å; I367-I371 VanDerWaalsContact O-CG1 3.29Å; I367-I371 WeakPolarHBondContact O-CG1 3.22Å; I367-I371 PolarHBondContact O-N 3.2Å; I371-P373 HydrophobicContact CG2-CB 4.36Å |
| 372 | K | 98.8 | Very high | 97.7 | Very high | 125 Ų | 125 | 45.2 Ų | 45.2 | 54% | 0.543 | 24% | 0.235 | S | C | . | . | trans | 46.1 | 56 | -175.7 | -59.2 | 179.5 | -178.5 | 165.1 | 0 | 112.5 | V368 Q369 E370 F397 | V368-K372 WeakPolarHBondContact O-CA 3.42Å; V368-K372 PolarHBondContact O-N 3.06Å; Q369-K372 WeakPolarHBondContact O-CE 3.37Å; Q369-K372 WeakPolarHBondContact O-CG 3.25Å; E370-K372 PolarHBondContact O-N 3.07Å; K372-F397 HydrophobicContact CB-CD2 4Å; K372-F397 HydrophobicContact CB-CE2 4.43Å; K372-F397 HydrophobicContact CB-CG 4.24Å; K372-F397 HydrophobicContact CD-CD1 4.49Å; K372-F397 HydrophobicContact CG-CD1 4.42Å; K372-F397 HydrophobicContact CG-CD2 4.01Å; K372-F397 HydrophobicContact CG-CE1 4.44Å; K372-F397 HydrophobicContact CG-CE2 4.01Å; K372-F397 HydrophobicContact CG-CG 4.23Å; K372-F397 HydrophobicContact CG-CZ 4.25Å | ||
| 373 | P | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -67.7 | 154.6 | -175 | 31.5 | -35.9 | 0 | 0 | 0 | 111.5 | T296 L298 V368 I371 M394 N398 | T296-P373 HydrophobicContact CG2-CB 4.47Å; T296-P373 CarbonylContact O-C 3.09Å; T296-P373 WeakPolarHBondContact O-CA 3.39Å; T296-P373 WeakPolarHBondContact O-CB 3.49Å; L298-P373 HydrophobicContact CB-CB 3.66Å; L298-P373 HydrophobicContact CB-CG 3.65Å; L298-P373 HydrophobicContact CD2-CG 3.94Å; L298-P373 HydrophobicContact CG-CG 4.46Å; V368-P373 WeakPolarHBondContact O-CD 3.32Å; I371-P373 HydrophobicContact CG2-CB 4.36Å; P373-M394 HydrophobicContact CG-CE 4.35Å; P373-M394 HydrophobicContact CG-SD 3.76Å; P373-M394 WeakPolarHBondContact O-CE 3.44Å; P373-N398 PolarHBondContact O-ND2 3.22Å | ||
| 374 | T | 98.8 | Very high | 97.6 | Very high | 26 Ų | 26 | 37.2 Ų | 37.2 | 16% | 0.16 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -87.2 | -28.7 | 172.1 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | Q295 T296 N398 I402 | Q295-T374 WeakPolarHBondContact CA-OG1 3.38Å; Q295-T374 WeakPolarHBondContact CB-OG1 3.4Å; Q295-T374 VanDerWaalsContact OE1-CB 3.25Å; Q295-T374 PolarHBondContact OE1-OG1 3.14Å; T296-T374 PolarHBondContact N-OG1 2.81Å; T296-T374 PolarHBondContact O-N 3.39Å; T296-T374 PolarHBondContact O-OG1 3.15Å; T374-N398 WeakPolarHBondContact CA-OD1 3.39Å; T374-N398 WeakPolarHBondContact CG2-OD1 3.16Å; T374-I402 PolarHBondContact O-N 3.05Å; T374-I402 VanDerWaalsContact O-N 3.08Å |
| 375 | A | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L281 T296 I297 L298 I402 | L281-A375 HydrophobicContact CD2-CB 4.35Å; T296-A375 PolarHBondContact O-N 3.28Å; I297-A375 WeakPolarHBondContact CA-O 3.4Å; I297-A375 HydrophobicContact CG1-CB 4.26Å; I297-A375 HydrophobicContact CG2-CB 4.27Å; L298-A375 PolarHBondContact N-O 3.11Å; A375-I402 CarbonylContact C-O 3.53Å; A375-I402 WeakPolarHBondContact CA-O 3.35Å; A375-I402 HydrophobicContact CB-CB 3.82Å; A375-I402 HydrophobicContact CB-CD1 4.38Å; A375-I402 HydrophobicContact CB-CG2 4.1Å |
| 376 | L | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 120.3 | 175.2 | -179.3 | 65.9 | 0 | 0 | 0 | 109.4 | L298 V368 F386 I390 M394 I402 I403 F404 | L298-L376 HydrophobicContact CB-CD1 4.11Å; L298-L376 HydrophobicContact CD2-CD1 3.91Å; L298-L376 HydrophobicContact CG-CD1 4Å; L298-L376 WeakPolarHBondContact O-CA 3.18Å; V368-L376 HydrophobicContact CG2-CD1 4.38Å; L376-F386 HydrophobicContact CD1-CE1 4.09Å; L376-F386 HydrophobicContact CD1-CZ 4.18Å; L376-F386 HydrophobicContact CD2-CD1 3.72Å; L376-F386 HydrophobicContact CD2-CD2 4.06Å; L376-F386 HydrophobicContact CD2-CE1 3.65Å; L376-F386 HydrophobicContact CD2-CE2 3.98Å; L376-F386 HydrophobicContact CD2-CG 3.95Å; L376-F386 HydrophobicContact CD2-CZ 3.79Å; L376-F386 HydrophobicContact CG-CD1 4.34Å; L376-F386 HydrophobicContact CG-CE1 3.75Å; L376-F386 HydrophobicContact CG-CE2 3.94Å; L376-F386 HydrophobicContact CG-CZ 3.52Å; L376-I390 HydrophobicContact CD2-CG2 3.46Å; L376-I390 VanDerWaalsContact CD2-CG2 3.46Å; L376-M394 HydrophobicContact CB-CE 3.74Å; L376-M394 HydrophobicContact CB-SD 4.1Å; L376-M394 HydrophobicContact CD2-CG 4.21Å; L376-I402 PolarHBondContact N-O 3.04Å; L376-I403 WeakPolarHBondContact O-CA 3.5Å; L376-F404 PolarHBondContact O-N 3.03Å |
| 377 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 119.5 | -173.7 | -53.9 | 178.9 | 0 | 0 | 0 | 110.1 | L281 I297 L298 F299 Q300 I309 V379 F404 L406 | L281-I377 HydrophobicContact CD1-CD1 4.31Å; I297-I377 HydrophobicContact CG2-CD1 3.72Å; I297-I377 HydrophobicContact CG2-CG1 4.25Å; L298-I377 PolarHBondContact O-N 2.81Å; F299-I377 CarbonylContact C-O 3.59Å; F299-I377 VanDerWaalsContact CA-O 3.29Å; F299-I377 WeakPolarHBondContact CA-O 3.24Å; F299-I377 HydrophobicContact CD1-CB 3.73Å; F299-I377 HydrophobicContact CD1-CG2 3.84Å; F299-I377 HydrophobicContact CE1-CB 3.74Å; F299-I377 HydrophobicContact CE1-CD1 3.72Å; F299-I377 HydrophobicContact CE1-CG1 4.28Å; F299-I377 HydrophobicContact CE1-CG2 3.66Å; F299-I377 HydrophobicContact CG-CB 4.48Å; F299-I377 HydrophobicContact CZ-CB 4.47Å; F299-I377 HydrophobicContact CZ-CD1 3.72Å; Q300-I377 PolarHBondContact N-O 3.26Å; I309-I377 HydrophobicContact CD1-CG2 4.45Å; I377-V379 HydrophobicContact CG2-CG1 4.44Å; I377-F404 CarbonylContact C-O 3.6Å; I377-F404 WeakPolarHBondContact CA-O 3.47Å; I377-F404 HydrophobicContact CB-CB 4.39Å; I377-F404 HydrophobicContact CD1-CD2 4.32Å; I377-F404 HydrophobicContact CG1-CB 4.18Å; I377-F404 HydrophobicContact CG1-CD2 4.25Å; I377-F404 HydrophobicContact CG1-CG 4.47Å; I377-F404 HydrophobicContact CG2-CB 4.11Å; I377-L406 HydrophobicContact CG2-CD1 3.88Å; I377-L406 HydrophobicContact CG2-CG 4.46Å |
| 378 | G | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | F404 L406 E414 | G378-F404 PolarHBondContact N-O 2.75Å; G378-L406 WeakPolarHBondContact O-CA 3.36Å; G378-L406 VanDerWaalsContact O-CB 3.31Å; G378-L406 WeakPolarHBondContact O-CB 3.26Å; G378-L406 PolarHBondContact O-N 3.02Å; G378-E414 VanDerWaalsContact C-CD 3.46Å; G378-E414 VanDerWaalsContact CA-CD 3.46Å; G378-E414 VanDerWaalsContact CA-OE1 3.31Å; G378-E414 WeakPolarHBondContact CA-OE1 3.29Å |
| 379 | V | 96.2 | Very high | 97.6 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 16% | 0.158 | 24% | 0.241 | C | C | . | . | trans | -146.1 | 28.3 | -179.9 | -71.6 | 0 | 0 | 0 | 0 | 111.1 | Q300 A305 A306 I309 I377 L406 E414 | Q300-V379 PolarHBondContact O-N 3.41Å; A305-V379 HydrophobicContact CB-CB 4.05Å; A305-V379 HydrophobicContact CB-CG1 3.98Å; A305-V379 HydrophobicContact CB-CG2 4.42Å; A306-V379 HydrophobicContact CB-CG2 3.64Å; I309-V379 HydrophobicContact CD1-CG1 4.17Å; I377-V379 HydrophobicContact CG2-CG1 4.44Å; V379-L406 HydrophobicContact CG1-CB 3.86Å; V379-L406 HydrophobicContact CG1-CD1 4.12Å; V379-L406 HydrophobicContact CG1-CG 4.47Å; V379-E414 PolarHBondContact N-OE1 3.35Å | ||
| 380 | A | 94.2 | Very high | 97.6 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -102.7 | -4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q300 I382 S407 E414 | Q300-A380 HydrophobicContact CG-CB 4.05Å; Q300-A380 PolarHBondContact O-N 3.08Å; A380-I382 VanDerWaalsContact C-N 3.28Å; A380-I382 HydrophobicContact CB-CD1 4.17Å; A380-I382 HydrophobicContact CB-CG1 3.96Å; A380-I382 PolarHBondContact O-N 3.19Å; A380-S407 PolarHBondContact N-OG 3.27Å; A380-E414 PolarHBondContact N-OE1 2.88Å |
| 381 | A | 93 | Very high | 97.6 | Very high | 37 Ų | 37 | 32.2 Ų | 32.2 | 31% | 0.306 | 20% | 0.197 | S | C | . | . | trans | 55.7 | 38.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S407 K412 | A381-S407 WeakPolarHBondContact CA-OG 3.12Å; A381-S407 PolarHBondContact N-OG 3.33Å; A381-K412 HydrophobicContact CB-CB 4.27Å; A381-K412 HydrophobicContact CB-CG 4.49Å | ||
| 382 | I | 94.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 35.6 Ų | 35.6 | 48% | 0.477 | 21% | 0.211 | S | C | . | . | trans | -110.8 | 96.3 | 176.8 | -52.2 | -174.9 | 0 | 0 | 0 | 108.6 | A380 G384 A385 | A380-I382 VanDerWaalsContact C-N 3.28Å; A380-I382 HydrophobicContact CB-CD1 4.17Å; A380-I382 HydrophobicContact CB-CG1 3.96Å; A380-I382 PolarHBondContact O-N 3.19Å; I382-G384 PolarHBondContact O-N 3.23Å; I382-A385 HydrophobicContact CB-CB 4.14Å; I382-A385 HydrophobicContact CG2-CB 4.01Å; I382-A385 VanDerWaalsContact O-CB 3.28Å; I382-A385 WeakPolarHBondContact O-CB 3.47Å; I382-A385 PolarHBondContact O-N 3.26Å | ||
| 383 | G | 95.8 | Very high | 97.6 | Very high | 42 Ų | 42 | 30.6 Ų | 30.6 | 43% | 0.433 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 131.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A385 A413 | G383-A385 VanDerWaalsContact C-N 3.29Å; G383-A385 PolarHBondContact O-N 3.2Å; G383-A413 WeakPolarHBondContact CA-O 3.47Å |
| 384 | G | 96.9 | Very high | 97.6 | Very high | 44 Ų | 44 | 30.6 Ų | 30.6 | 45% | 0.454 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 12.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I382 F386 A413 E414 | I382-G384 PolarHBondContact O-N 3.23Å; G384-F386 PolarHBondContact O-N 2.93Å; G384-A413 PolarHBondContact N-O 2.99Å; G384-A413 VanDerWaalsContact N-O 3.11Å; G384-E414 CarbonylContact C-O 3.5Å; G384-E414 WeakPolarHBondContact CA-O 3.38Å; G384-E414 PolarHBondContact N-O 2.98Å |
| 385 | A | 97.7 | Very high | 97.6 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | trans | -62.1 | -29.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q300 I382 G383 S387 I390 E414 | Q300-A385 VanDerWaalsContact CD-CB 3.5Å; I382-A385 HydrophobicContact CB-CB 4.14Å; I382-A385 HydrophobicContact CG2-CB 4.01Å; I382-A385 VanDerWaalsContact O-CB 3.28Å; I382-A385 WeakPolarHBondContact O-CB 3.47Å; I382-A385 PolarHBondContact O-N 3.26Å; G383-A385 VanDerWaalsContact C-N 3.29Å; G383-A385 PolarHBondContact O-N 3.2Å; A385-S387 VanDerWaalsContact C-N 3.3Å; A385-S387 PolarHBondContact O-N 3.46Å; A385-S387 VanDerWaalsContact O-N 3.08Å; A385-I390 WeakPolarHBondContact O-CD1 3.32Å; A385-E414 HydrophobicContact CB-CB 4.47Å; A385-E414 HydrophobicContact CB-CG 4.31Å; A385-E414 PolarHBondContact N-O 2.84Å; A385-E414 VanDerWaalsContact N-O 3.08Å | ||
| 386 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -85.7 | 79.4 | 173.6 | -62.7 | -8.3 | 0 | 0 | 0 | 108.7 | Q300 L364 L376 G384 L391 I403 E414 C415 Q419 | Q300-F386 HydrophobicContact CB-CE1 4.08Å; L364-F386 HydrophobicContact CD2-CD1 4.36Å; L364-F386 HydrophobicContact CD2-CE1 4.36Å; L376-F386 HydrophobicContact CD1-CE1 4.09Å; L376-F386 HydrophobicContact CD1-CZ 4.18Å; L376-F386 HydrophobicContact CD2-CD1 3.72Å; L376-F386 HydrophobicContact CD2-CD2 4.06Å; L376-F386 HydrophobicContact CD2-CE1 3.65Å; L376-F386 HydrophobicContact CD2-CE2 3.98Å; L376-F386 HydrophobicContact CD2-CG 3.95Å; L376-F386 HydrophobicContact CD2-CZ 3.79Å; L376-F386 HydrophobicContact CG-CD1 4.34Å; L376-F386 HydrophobicContact CG-CE1 3.75Å; L376-F386 HydrophobicContact CG-CE2 3.94Å; L376-F386 HydrophobicContact CG-CZ 3.52Å; G384-F386 PolarHBondContact O-N 2.93Å; F386-L391 HydrophobicContact CB-CD2 4.19Å; F386-I403 HydrophobicContact CD2-CG2 3.85Å; F386-I403 HydrophobicContact CE2-CG2 4.12Å; F386-E414 HydrophobicContact CB-CB 4.25Å; F386-E414 HydrophobicContact CD1-CB 3.85Å; F386-E414 HydrophobicContact CD1-CG 4.28Å; F386-E414 HydrophobicContact CD2-CB 3.52Å; F386-E414 HydrophobicContact CD2-CG 4.42Å; F386-E414 HydrophobicContact CE1-CB 3.97Å; F386-E414 HydrophobicContact CE1-CG 3.96Å; F386-E414 HydrophobicContact CE2-CB 3.67Å; F386-E414 HydrophobicContact CE2-CG 4.13Å; F386-E414 HydrophobicContact CG-CB 3.61Å; F386-E414 HydrophobicContact CG-CG 4.49Å; F386-E414 HydrophobicContact CZ-CB 3.88Å; F386-E414 HydrophobicContact CZ-CG 3.88Å; F386-E414 PolarHBondContact N-O 3.26Å; F386-C415 HydrophobicContact CB-CB 3.96Å; F386-Q419 PolarHBondContact O-NE2 3.24Å |
| 387 | S | 98.6 | Very high | 97.6 | Very high | 26 Ų | 26 | 37 Ų | 37 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | trans | -60.9 | 166.8 | -178.9 | 77 | 0 | 0 | 0 | 0 | 112.2 | E365 A385 Q389 I390 L391 | E365-S387 WeakPolarHBondContact OE1-CB 3.43Å; E365-S387 PolarHBondContact OE1-OG 3.13Å; A385-S387 VanDerWaalsContact C-N 3.3Å; A385-S387 PolarHBondContact O-N 3.46Å; A385-S387 VanDerWaalsContact O-N 3.08Å; S387-Q389 PolarHBondContact O-N 2.9Å; S387-Q389 PolarHBondContact OG-N 3.2Å; S387-I390 PolarHBondContact O-N 3.05Å; S387-I390 PolarHBondContact OG-N 2.77Å; S387-L391 WeakPolarHBondContact O-CG 3.3Å; S387-L391 PolarHBondContact O-N 3.04Å | ||
| 388 | E | 98.6 | Very high | 97.6 | Very high | 100 Ų | 100 | 38.1 Ų | 38.1 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -55.1 | -36.5 | 173.4 | 177.2 | 173.8 | 160.1 | 0 | 0 | 112.6 | L391 K392 I423 | E388-L391 PolarHBondContact O-N 2.94Å; E388-K392 HydrophobicContact CG-CD 4.25Å; E388-K392 WeakPolarHBondContact O-CB 3.12Å; E388-K392 WeakPolarHBondContact O-CG 3.38Å; E388-K392 PolarHBondContact O-N 3.04Å; E388-K392 WeakPolarHBondContact OE1-CE 3.37Å; E388-K392 IonicContact OE1-NZ 2.77Å; E388-K392 PolarHBondContact OE1-NZ 2.66Å; E388-I423 HydrophobicContact CB-CD1 3.83Å; E388-I423 HydrophobicContact CG-CD1 3.74Å; E388-I423 HydrophobicContact CG-CG1 4.05Å; E388-I423 HydrophobicContact CG-CG2 4.23Å |
| 389 | Q | 98.7 | Very high | 97.6 | Very high | 76 Ų | 76 | 46 Ų | 46 | 36% | 0.355 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.6 | -47.4 | 178.8 | -171.9 | 56 | 47.6 | 0 | 0 | 111.4 | E365 S387 L391 K392 D393 | E365-Q389 HydrophobicContact CG-CB 4.45Å; S387-Q389 PolarHBondContact O-N 2.9Å; S387-Q389 PolarHBondContact OG-N 3.2Å; Q389-L391 VanDerWaalsContact C-N 3.32Å; Q389-L391 PolarHBondContact O-N 3.14Å; Q389-K392 PolarHBondContact O-N 3Å; Q389-D393 VanDerWaalsContact NE2-CG 3.31Å; Q389-D393 PolarHBondContact NE2-OD1 3.34Å; Q389-D393 PolarHBondContact NE2-OD2 3.25Å; Q389-D393 VanDerWaalsContact NE2-OD2 3.14Å; Q389-D393 WeakPolarHBondContact O-CB 3.15Å; Q389-D393 VanDerWaalsContact O-CG 3.24Å; Q389-D393 PolarHBondContact O-N 2.95Å |
| 390 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57 | -46.3 | 176 | -67.3 | -172.5 | 0 | 0 | 0 | 111.3 | L364 E365 V368 L376 A385 S387 K392 D393 M394 | L364-I390 HydrophobicContact CB-CD1 4.25Å; L364-I390 HydrophobicContact CD2-CD1 3.74Å; L364-I390 HydrophobicContact CG-CD1 3.73Å; E365-I390 HydrophobicContact CB-CG1 4.3Å; E365-I390 HydrophobicContact CG-CD1 3.91Å; E365-I390 HydrophobicContact CG-CG1 3.42Å; E365-I390 VanDerWaalsContact CG-CG1 3.42Å; V368-I390 HydrophobicContact CG1-CG2 4.43Å; V368-I390 HydrophobicContact CG2-CD1 4.45Å; V368-I390 HydrophobicContact CG2-CG2 4.13Å; L376-I390 HydrophobicContact CD2-CG2 3.46Å; L376-I390 VanDerWaalsContact CD2-CG2 3.46Å; A385-I390 WeakPolarHBondContact O-CD1 3.32Å; S387-I390 PolarHBondContact O-N 3.05Å; S387-I390 PolarHBondContact OG-N 2.77Å; I390-K392 PolarHBondContact O-N 3.36Å; I390-D393 PolarHBondContact O-N 3.08Å; I390-M394 HydrophobicContact CG2-CG 4.31Å; I390-M394 WeakPolarHBondContact O-CB 3.32Å; I390-M394 VanDerWaalsContact O-CG 3.32Å; I390-M394 WeakPolarHBondContact O-CG 3.28Å; I390-M394 PolarHBondContact O-N 3.44Å |
| 391 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | -178.4 | -64 | 172.9 | 0 | 0 | 0 | 111.7 | F386 S387 E388 Q389 A395 I403 C415 Q419 I423 T424 | F386-L391 HydrophobicContact CB-CD2 4.19Å; S387-L391 WeakPolarHBondContact O-CG 3.3Å; S387-L391 PolarHBondContact O-N 3.04Å; E388-L391 PolarHBondContact O-N 2.94Å; Q389-L391 VanDerWaalsContact C-N 3.32Å; Q389-L391 PolarHBondContact O-N 3.14Å; L391-A395 VanDerWaalsContact O-CB 3.31Å; L391-A395 WeakPolarHBondContact O-CB 3.34Å; L391-A395 PolarHBondContact O-N 2.9Å; L391-A395 VanDerWaalsContact O-N 3.12Å; L391-I403 HydrophobicContact CD2-CD1 3.67Å; L391-I403 HydrophobicContact CD2-CG2 4.2Å; L391-C415 HydrophobicContact CD1-CB 4.42Å; L391-Q419 HydrophobicContact CD1-CG 3.76Å; L391-I423 HydrophobicContact CB-CB 4.21Å; L391-I423 HydrophobicContact CB-CG2 3.65Å; L391-I423 HydrophobicContact CD1-CB 4.46Å; L391-I423 HydrophobicContact CD1-CD1 3.8Å; L391-T424 HydrophobicContact CB-CG2 4.37Å |
| 392 | K | 98.8 | Very high | 98.2 | Very high | 94 Ų | 94 | 45.5 Ų | 45.5 | 41% | 0.409 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 172.6 | -77 | 177.4 | -177.2 | 166.7 | 0 | 111.6 | E388 Q389 I390 A395 A396 I423 | E388-K392 HydrophobicContact CG-CD 4.25Å; E388-K392 WeakPolarHBondContact O-CB 3.12Å; E388-K392 WeakPolarHBondContact O-CG 3.38Å; E388-K392 PolarHBondContact O-N 3.04Å; E388-K392 WeakPolarHBondContact OE1-CE 3.37Å; E388-K392 IonicContact OE1-NZ 2.77Å; E388-K392 PolarHBondContact OE1-NZ 2.66Å; Q389-K392 PolarHBondContact O-N 3Å; I390-K392 PolarHBondContact O-N 3.36Å; K392-A395 CarbonylContact O-C 3.58Å; K392-A395 PolarHBondContact O-N 3.39Å; K392-A396 WeakPolarHBondContact O-CB 3.18Å; K392-A396 PolarHBondContact O-N 3.48Å; K392-I423 HydrophobicContact CG-CG2 3.61Å |
| 393 | D | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | -178.6 | -70.7 | -19.4 | 0 | 0 | 0 | 110.8 | V368 Q369 Q389 I390 A395 A396 F397 | V368-D393 HydrophobicContact CG1-CB 4.27Å; Q369-D393 WeakPolarHBondContact CG-OD2 3.48Å; Q369-D393 PolarHBondContact NE2-OD2 2.95Å; Q389-D393 VanDerWaalsContact NE2-CG 3.31Å; Q389-D393 PolarHBondContact NE2-OD1 3.34Å; Q389-D393 PolarHBondContact NE2-OD2 3.25Å; Q389-D393 VanDerWaalsContact NE2-OD2 3.14Å; Q389-D393 WeakPolarHBondContact O-CB 3.15Å; Q389-D393 VanDerWaalsContact O-CG 3.24Å; Q389-D393 PolarHBondContact O-N 2.95Å; I390-D393 PolarHBondContact O-N 3.08Å; D393-A395 VanDerWaalsContact C-N 3.28Å; D393-A395 PolarHBondContact O-N 3.18Å; D393-A396 WeakPolarHBondContact O-CB 3.37Å; D393-A396 PolarHBondContact O-N 3.32Å; D393-F397 HydrophobicContact CB-CE2 3.74Å; D393-F397 HydrophobicContact CB-CZ 3.75Å; D393-F397 WeakPolarHBondContact O-CD2 3.47Å; D393-F397 WeakPolarHBondContact O-CG 3.25Å; D393-F397 PolarHBondContact O-N 3.33Å |
| 394 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.5 | -43.4 | 173.3 | -73.7 | -62.1 | -65.3 | 0 | 0 | 112.3 | V368 P373 L376 I390 A396 N398 P401 I403 | V368-M394 HydrophobicContact CG1-CG 4.27Å; V368-M394 HydrophobicContact CG1-SD 4.07Å; P373-M394 HydrophobicContact CG-CE 4.35Å; P373-M394 HydrophobicContact CG-SD 3.76Å; P373-M394 WeakPolarHBondContact O-CE 3.44Å; L376-M394 HydrophobicContact CB-CE 3.74Å; L376-M394 HydrophobicContact CB-SD 4.1Å; L376-M394 HydrophobicContact CD2-CG 4.21Å; I390-M394 HydrophobicContact CG2-CG 4.31Å; I390-M394 WeakPolarHBondContact O-CB 3.32Å; I390-M394 VanDerWaalsContact O-CG 3.32Å; I390-M394 WeakPolarHBondContact O-CG 3.28Å; I390-M394 PolarHBondContact O-N 3.44Å; M394-A396 VanDerWaalsContact C-N 3.33Å; M394-N398 WeakPolarHBondContact O-CB 3.39Å; M394-N398 PolarHBondContact O-N 3.18Å; M394-N398 VanDerWaalsContact O-N 3.13Å; M394-N398 PolarHBondContact O-ND2 3.09Å; M394-P401 HydrophobicContact CB-CB 3.96Å; M394-P401 HydrophobicContact CE-CB 4.13Å; M394-I403 HydrophobicContact CB-CD1 4.39Å |
| 395 | A | 98.7 | Very high | 98.6 | Very high | 11 Ų | 11 | 37 Ų | 37 | 9% | 0.091 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.8 | -20.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L391 K392 D393 N398 P401 T424 R427 | L391-A395 VanDerWaalsContact O-CB 3.31Å; L391-A395 WeakPolarHBondContact O-CB 3.34Å; L391-A395 PolarHBondContact O-N 2.9Å; L391-A395 VanDerWaalsContact O-N 3.12Å; K392-A395 CarbonylContact O-C 3.58Å; K392-A395 PolarHBondContact O-N 3.39Å; D393-A395 VanDerWaalsContact C-N 3.28Å; D393-A395 PolarHBondContact O-N 3.18Å; A395-N398 VanDerWaalsContact O-O 3.11Å; A395-P401 HydrophobicContact CB-CG 4.44Å; A395-T424 HydrophobicContact CB-CG2 3.86Å; A395-R427 HydrophobicContact CB-CG 4.47Å; A395-R427 PolarHBondContact O-NH1 2.87Å |
| 396 | A | 98.7 | Very high | 98.5 | Very high | 77 Ų | 77 | 36.8 Ų | 36.8 | 64% | 0.636 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -83.9 | -38.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | K392 D393 M394 | K392-A396 WeakPolarHBondContact O-CB 3.18Å; K392-A396 PolarHBondContact O-N 3.48Å; D393-A396 WeakPolarHBondContact O-CB 3.37Å; D393-A396 PolarHBondContact O-N 3.32Å; M394-A396 VanDerWaalsContact C-N 3.33Å |
| 397 | F | 98.5 | Very high | 98.2 | Very high | 71 Ų | 71 | 37.1 Ų | 37.1 | 31% | 0.311 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -75.8 | -30.3 | 179.5 | -51.7 | -28.7 | 0 | 0 | 0 | 112.7 | V368 Q369 K372 D393 | V368-F397 HydrophobicContact CG1-CE2 4.14Å; V368-F397 WeakPolarHBondContact O-CE2 3.39Å; Q369-F397 HydrophobicContact CG-CZ 4.3Å; K372-F397 HydrophobicContact CB-CD2 4Å; K372-F397 HydrophobicContact CB-CE2 4.43Å; K372-F397 HydrophobicContact CB-CG 4.24Å; K372-F397 HydrophobicContact CD-CD1 4.49Å; K372-F397 HydrophobicContact CG-CD1 4.42Å; K372-F397 HydrophobicContact CG-CD2 4.01Å; K372-F397 HydrophobicContact CG-CE1 4.44Å; K372-F397 HydrophobicContact CG-CE2 4.01Å; K372-F397 HydrophobicContact CG-CG 4.23Å; K372-F397 HydrophobicContact CG-CZ 4.25Å; D393-F397 HydrophobicContact CB-CE2 3.74Å; D393-F397 HydrophobicContact CB-CZ 3.75Å; D393-F397 WeakPolarHBondContact O-CD2 3.47Å; D393-F397 WeakPolarHBondContact O-CG 3.25Å; D393-F397 PolarHBondContact O-N 3.33Å |
| 398 | N | 98.6 | Very high | 97.6 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | trans | -126.5 | 138.3 | -171.7 | -52.7 | -77.5 | 0 | 0 | 0 | 111.4 | P373 T374 M394 A395 R400 P401 | P373-N398 PolarHBondContact O-ND2 3.22Å; T374-N398 WeakPolarHBondContact CA-OD1 3.39Å; T374-N398 WeakPolarHBondContact CG2-OD1 3.16Å; M394-N398 WeakPolarHBondContact O-CB 3.39Å; M394-N398 PolarHBondContact O-N 3.18Å; M394-N398 VanDerWaalsContact O-N 3.13Å; M394-N398 PolarHBondContact O-ND2 3.09Å; A395-N398 VanDerWaalsContact O-O 3.11Å; N398-R400 VanDerWaalsContact C-N 3.33Å; N398-R400 PolarHBondContact O-N 3.39Å; N398-P401 HydrophobicContact CB-CB 4.03Å | ||
| 399 | E | 98.3 | Very high | 96.9 | Very high | 164 Ų | 164 | 34.4 Ų | 34.4 | 77% | 0.766 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -61.1 | -44.4 | 172.3 | -172.6 | -176 | 163.3 | 0 | 0 | 111.2 | R427 | E399-R427 WeakPolarHBondContact O-CB 3.35Å; E399-R427 WeakPolarHBondContact O-CD 3.47Å |
| 400 | R | 98.4 | Very high | 96.3 | Very high | 90 Ų | 90 | 33.6 Ų | 33.6 | 34% | 0.34 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -131.6 | 80 | 179.9 | -56.4 | -60.2 | -59.7 | -89 | 1.8 | 109.4 | T288 N398 R427 I429 | T288-R400 HydrophobicContact CG2-CB 4.21Å; N398-R400 VanDerWaalsContact C-N 3.33Å; N398-R400 PolarHBondContact O-N 3.39Å; R400-R427 WeakPolarHBondContact CD-O 3.45Å; R400-R427 PolarHBondContact NE-O 2.84Å; R400-I429 HydrophobicContact CB-CD1 3.94Å; R400-I429 HydrophobicContact CB-CG1 4.29Å |
| 401 | P | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -66.4 | 134.7 | -178 | 28.2 | -31.8 | 0 | 0 | 0 | 110.7 | M394 A395 N398 I403 R427 A428 I429 | M394-P401 HydrophobicContact CB-CB 3.96Å; M394-P401 HydrophobicContact CE-CB 4.13Å; A395-P401 HydrophobicContact CB-CG 4.44Å; N398-P401 HydrophobicContact CB-CB 4.03Å; P401-I403 HydrophobicContact CB-CD1 4.34Å; P401-I403 HydrophobicContact CB-CG1 4.32Å; P401-I403 HydrophobicContact CG-CD1 4.32Å; P401-R427 HydrophobicContact CG-CG 4.32Å; P401-A428 HydrophobicContact CG-CB 4.27Å; P401-A428 WeakPolarHBondContact O-CA 3.24Å; P401-I429 PolarHBondContact O-N 3.16Å | ||
| 402 | I | 98.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123.8 | 173.7 | -58.5 | 169.5 | 0 | 0 | 0 | 108.2 | L281 A284 T288 T374 A375 L376 F404 I429 | L281-I402 HydrophobicContact CD2-CD1 4.33Å; L281-I402 HydrophobicContact CD2-CG2 3.99Å; A284-I402 HydrophobicContact CB-CD1 3.82Å; A284-I402 HydrophobicContact CB-CG1 4.12Å; T288-I402 HydrophobicContact CG2-CD1 4.42Å; T374-I402 PolarHBondContact O-N 3.05Å; T374-I402 VanDerWaalsContact O-N 3.08Å; A375-I402 CarbonylContact C-O 3.53Å; A375-I402 WeakPolarHBondContact CA-O 3.35Å; A375-I402 HydrophobicContact CB-CB 3.82Å; A375-I402 HydrophobicContact CB-CD1 4.38Å; A375-I402 HydrophobicContact CB-CG2 4.1Å; L376-I402 PolarHBondContact N-O 3.04Å; I402-F404 HydrophobicContact CG2-CD1 3.83Å; I402-F404 HydrophobicContact CG2-CE1 3.41Å; I402-F404 VanDerWaalsContact CG2-CE1 3.41Å; I402-F404 HydrophobicContact CG2-CZ 3.84Å; I402-I429 HydrophobicContact CG1-CB 4.36Å; I402-I429 HydrophobicContact CG1-CD1 4.16Å |
| 403 | I | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 106.8 | -174.6 | -57.6 | 177.7 | 0 | 0 | 0 | 108.9 | L376 F386 L391 M394 P401 T424 A428 I429 F430 A431 | L376-I403 WeakPolarHBondContact O-CA 3.5Å; F386-I403 HydrophobicContact CD2-CG2 3.85Å; F386-I403 HydrophobicContact CE2-CG2 4.12Å; L391-I403 HydrophobicContact CD2-CD1 3.67Å; L391-I403 HydrophobicContact CD2-CG2 4.2Å; M394-I403 HydrophobicContact CB-CD1 4.39Å; P401-I403 HydrophobicContact CB-CD1 4.34Å; P401-I403 HydrophobicContact CB-CG1 4.32Å; P401-I403 HydrophobicContact CG-CD1 4.32Å; I403-T424 HydrophobicContact CD1-CG2 4.19Å; I403-A428 HydrophobicContact CD1-CB 4.04Å; I403-I429 PolarHBondContact N-O 3.21Å; I403-F430 HydrophobicContact CB-CD2 4.33Å; I403-F430 HydrophobicContact CG2-CD2 4.13Å; I403-F430 HydrophobicContact CG2-CE2 4.46Å; I403-F430 WeakPolarHBondContact O-CA 3.42Å; I403-F430 VanDerWaalsContact O-CD2 3.25Å; I403-F430 WeakPolarHBondContact O-CD2 3.41Å; I403-A431 PolarHBondContact O-N 3.43Å |
| 404 | F | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.2 | -179.9 | -71 | 3.2 | 0 | 0 | 0 | 110.2 | L281 L376 I377 G378 I402 L406 A431 L499 | L281-F404 HydrophobicContact CD2-CE2 3.89Å; L281-F404 HydrophobicContact CD2-CZ 4.04Å; L281-F404 HydrophobicContact CG-CE2 3.87Å; L281-F404 HydrophobicContact CG-CZ 4.31Å; L376-F404 PolarHBondContact O-N 3.03Å; I377-F404 CarbonylContact C-O 3.6Å; I377-F404 WeakPolarHBondContact CA-O 3.47Å; I377-F404 HydrophobicContact CB-CB 4.39Å; I377-F404 HydrophobicContact CD1-CD2 4.32Å; I377-F404 HydrophobicContact CG1-CB 4.18Å; I377-F404 HydrophobicContact CG1-CD2 4.25Å; I377-F404 HydrophobicContact CG1-CG 4.47Å; I377-F404 HydrophobicContact CG2-CB 4.11Å; G378-F404 PolarHBondContact N-O 2.75Å; I402-F404 HydrophobicContact CG2-CD1 3.83Å; I402-F404 HydrophobicContact CG2-CE1 3.41Å; I402-F404 VanDerWaalsContact CG2-CE1 3.41Å; I402-F404 HydrophobicContact CG2-CZ 3.84Å; F404-L406 HydrophobicContact CB-CD1 4.32Å; F404-L406 HydrophobicContact CB-CD2 4.01Å; F404-L406 HydrophobicContact CB-CG 3.94Å; F404-L406 HydrophobicContact CD2-CD1 4.48Å; F404-A431 CarbonylContact C-O 3.45Å; F404-A431 VanDerWaalsContact CA-O 3.32Å; F404-A431 WeakPolarHBondContact CA-O 3.43Å; F404-A431 HydrophobicContact CD1-CB 3.7Å; F404-A431 HydrophobicContact CE1-CB 3.81Å; F404-A431 HydrophobicContact CG-CB 4.3Å; F404-A431 HydrophobicContact CZ-CB 4.45Å; F404-L499 HydrophobicContact CD1-CD1 4.49Å; F404-L499 HydrophobicContact CE1-CD1 3.34Å; F404-L499 HydrophobicContact CZ-CD1 3.64Å |
| 405 | A | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 77 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | E414 F430 A431 S432 G433 | A405-E414 WeakPolarHBondContact CA-OE2 3.49Å; A405-E414 HydrophobicContact CB-CB 4.1Å; A405-F430 HydrophobicContact CB-CE2 3.9Å; A405-F430 HydrophobicContact CB-CZ 4.05Å; A405-A431 PolarHBondContact N-O 2.99Å; A405-S432 CarbonylContact O-C 3.53Å; A405-S432 WeakPolarHBondContact O-CA 3.36Å; A405-S432 WeakPolarHBondContact O-CB 3.46Å; A405-G433 PolarHBondContact O-N 3.25Å |
| 406 | L | 96.3 | Very high | 95 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | trans | -88.2 | -3.7 | -164.9 | -54.2 | -178.6 | 0 | 0 | 0 | 114.1 | A277 I309 I377 G378 V379 F404 E414 | A277-L406 HydrophobicContact CB-CD1 4.23Å; I309-L406 HydrophobicContact CD1-CD1 4.22Å; I377-L406 HydrophobicContact CG2-CD1 3.88Å; I377-L406 HydrophobicContact CG2-CG 4.46Å; G378-L406 WeakPolarHBondContact O-CA 3.36Å; G378-L406 VanDerWaalsContact O-CB 3.31Å; G378-L406 WeakPolarHBondContact O-CB 3.26Å; G378-L406 PolarHBondContact O-N 3.02Å; V379-L406 HydrophobicContact CG1-CB 3.86Å; V379-L406 HydrophobicContact CG1-CD1 4.12Å; V379-L406 HydrophobicContact CG1-CG 4.47Å; F404-L406 HydrophobicContact CB-CD1 4.32Å; F404-L406 HydrophobicContact CB-CD2 4.01Å; F404-L406 HydrophobicContact CB-CG 3.94Å; F404-L406 HydrophobicContact CD2-CD1 4.48Å; L406-E414 PolarHBondContact N-OE2 3.33Å | ||
| 407 | S | 91.1 | Very high | 95 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 6% | 0.056 | 18% | 0.182 | C | C | . | . | trans | -67 | 138.9 | 178.4 | -72.5 | 0 | 0 | 0 | 0 | 112.9 | A380 A381 K412 E414 | A380-S407 PolarHBondContact N-OG 3.27Å; A381-S407 WeakPolarHBondContact CA-OG 3.12Å; A381-S407 PolarHBondContact N-OG 3.33Å; S407-K412 WeakPolarHBondContact CB-O 3.06Å; S407-E414 VanDerWaalsContact CB-OE1 3.28Å; S407-E414 WeakPolarHBondContact CB-OE1 3.32Å; S407-E414 PolarHBondContact N-OE2 3.43Å; S407-E414 PolarHBondContact OG-OE1 2.83Å | ||
| 408 | N | 85.3 | Confident | 95 | Very high | 30 Ų | 30 | 36 Ų | 36 | 16% | 0.16 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -116.7 | 152.7 | 178.7 | -67.2 | -55 | 0 | 0 | 0 | 111.2 | L157 G433 S434 | L157-N408 HydrophobicContact CD2-CB 3.85Å; L157-N408 HydrophobicContact CG-CB 4.34Å; N408-G433 PolarHBondContact OD1-O 3.18Å; N408-S434 PolarHBondContact OD1-N 3.27Å; N408-S434 VanDerWaalsContact OD1-N 3.08Å; N408-S434 PolarHBondContact OD1-OG 3.42Å |
| 409 | P | 85 | Confident | 95 | Very high | 38 Ų | 38 | 37.6 Ų | 37.6 | 25% | 0.247 | 20% | 0.196 | C | C | . | . | S | Bend | cis | -73.3 | -171.2 | -12 | 33.3 | -37.4 | 0 | 0 | 0 | 112 | P104 S411 K412 S434 | P104-P409 HydrophobicContact CB-CB 4.02Å; P409-S411 PolarHBondContact O-N 3.18Å; P409-K412 WeakPolarHBondContact O-CA 3.29Å; P409-K412 WeakPolarHBondContact O-CB 3.48Å; P409-K412 PolarHBondContact O-N 3.2Å; P409-S434 VanDerWaalsContact C-OG 3.26Å; P409-S434 WeakPolarHBondContact CA-OG 3.5Å |
| 410 | T | 85.7 | Confident | 95 | Very high | 59 Ų | 59 | 29.8 Ų | 29.8 | 36% | 0.362 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -50.1 | -35 | -178.3 | -48 | 0 | 0 | 0 | 0 | 113.9 | K412 A413 S434 F436 | T410-K412 PolarHBondContact O-N 3.01Å; T410-K412 VanDerWaalsContact O-N 3.15Å; T410-A413 WeakPolarHBondContact O-CB 3.47Å; T410-A413 PolarHBondContact O-N 3.47Å; T410-A413 VanDerWaalsContact O-N 3.14Å; T410-S434 PolarHBondContact N-OG 3.19Å; T410-S434 VanDerWaalsContact N-OG 3.1Å; T410-S434 VanDerWaalsContact OG1-CB 3.32Å; T410-S434 WeakPolarHBondContact OG1-CB 3.48Å; T410-F436 HydrophobicContact CG2-CD1 4.32Å; T410-F436 HydrophobicContact CG2-CE1 3.49Å; T410-F436 VanDerWaalsContact CG2-CE1 3.49Å; T410-F436 HydrophobicContact CG2-CZ 3.62Å |
| 411 | S | 85.3 | Confident | 95 | Very high | 94 Ų | 94 | 25.6 Ų | 25.6 | 66% | 0.657 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -66 | -12.8 | 177 | 60.9 | 0 | 0 | 0 | 0 | 114.3 | P409 | P409-S411 PolarHBondContact O-N 3.18Š|
| 412 | K | 91.8 | Very high | 95 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -107.6 | -2.5 | 177.2 | -59.2 | -58.8 | -171.4 | 173.9 | 0 | 113.2 | A381 S407 P409 T410 | A381-K412 HydrophobicContact CB-CB 4.27Å; A381-K412 HydrophobicContact CB-CG 4.49Å; S407-K412 WeakPolarHBondContact CB-O 3.06Å; P409-K412 WeakPolarHBondContact O-CA 3.29Å; P409-K412 WeakPolarHBondContact O-CB 3.48Å; P409-K412 PolarHBondContact O-N 3.2Å; T410-K412 PolarHBondContact O-N 3.01Å; T410-K412 VanDerWaalsContact O-N 3.15Å |
| 413 | A | 94.4 | Very high | 94.9 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 7% | 0.066 | 18% | 0.184 | C | C | . | . | trans | -60.9 | 136.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G383 G384 T410 C415 F436 | G383-A413 WeakPolarHBondContact CA-O 3.47Å; G384-A413 PolarHBondContact N-O 2.99Å; G384-A413 VanDerWaalsContact N-O 3.11Å; T410-A413 WeakPolarHBondContact O-CB 3.47Å; T410-A413 PolarHBondContact O-N 3.47Å; T410-A413 VanDerWaalsContact O-N 3.14Å; A413-C415 PolarHBondContact O-N 2.84Å; A413-F436 HydrophobicContact CB-CE2 4.21Å; A413-F436 HydrophobicContact CB-CZ 3.93Å | ||
| 414 | E | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -62.5 | -32 | -176.4 | -70.2 | 76.4 | -171.9 | 0 | 0 | 112.6 | G378 V379 A380 G384 A385 F386 A405 L406 S407 | G378-E414 VanDerWaalsContact C-CD 3.46Å; G378-E414 VanDerWaalsContact CA-CD 3.46Å; G378-E414 VanDerWaalsContact CA-OE1 3.31Å; G378-E414 WeakPolarHBondContact CA-OE1 3.29Å; V379-E414 PolarHBondContact N-OE1 3.35Å; A380-E414 PolarHBondContact N-OE1 2.88Å; G384-E414 CarbonylContact C-O 3.5Å; G384-E414 WeakPolarHBondContact CA-O 3.38Å; G384-E414 PolarHBondContact N-O 2.98Å; A385-E414 HydrophobicContact CB-CB 4.47Å; A385-E414 HydrophobicContact CB-CG 4.31Å; A385-E414 PolarHBondContact N-O 2.84Å; A385-E414 VanDerWaalsContact N-O 3.08Å; F386-E414 HydrophobicContact CB-CB 4.25Å; F386-E414 HydrophobicContact CD1-CB 3.85Å; F386-E414 HydrophobicContact CD1-CG 4.28Å; F386-E414 HydrophobicContact CD2-CB 3.52Å; F386-E414 HydrophobicContact CD2-CG 4.42Å; F386-E414 HydrophobicContact CE1-CB 3.97Å; F386-E414 HydrophobicContact CE1-CG 3.96Å; F386-E414 HydrophobicContact CE2-CB 3.67Å; F386-E414 HydrophobicContact CE2-CG 4.13Å; F386-E414 HydrophobicContact CG-CB 3.61Å; F386-E414 HydrophobicContact CG-CG 4.49Å; F386-E414 HydrophobicContact CZ-CB 3.88Å; F386-E414 HydrophobicContact CZ-CG 3.88Å; F386-E414 PolarHBondContact N-O 3.26Å; A405-E414 WeakPolarHBondContact CA-OE2 3.49Å; A405-E414 HydrophobicContact CB-CB 4.1Å; L406-E414 PolarHBondContact N-OE2 3.33Å; S407-E414 VanDerWaalsContact CB-OE1 3.28Å; S407-E414 WeakPolarHBondContact CB-OE1 3.32Å; S407-E414 PolarHBondContact N-OE2 3.43Å; S407-E414 PolarHBondContact OG-OE1 2.83Å |
| 415 | C | 98.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.02 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -155.7 | 166 | 164.8 | 61.2 | 0 | 0 | 0 | 0 | 110 | F386 L391 A413 | F386-C415 HydrophobicContact CB-CB 3.96Å; L391-C415 HydrophobicContact CD1-CB 4.42Å; A413-C415 PolarHBondContact O-N 2.84Å |
| 416 | S | 98.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | trans | -85.6 | 159.7 | 171 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | E418 Q419 C420 | S416-E418 VanDerWaalsContact C-N 3.32Å; S416-E418 PolarHBondContact O-N 2.93Å; S416-Q419 PolarHBondContact O-N 2.98Å; S416-Q419 VanDerWaalsContact OG-CB 3.3Å; S416-Q419 WeakPolarHBondContact OG-CB 3.22Å; S416-Q419 PolarHBondContact OG-N 3.48Å; S416-Q419 VanDerWaalsContact OG-N 3.13Å; S416-C420 WeakPolarHBondContact O-CB 3.42Å; S416-C420 PolarHBondContact O-N 3.02Å | ||
| 417 | A | 98.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.9 | -45.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q419 C420 Y421 F430 F436 V439 P449 | A417-Q419 PolarHBondContact O-N 3.48Å; A417-C420 PolarHBondContact O-N 3.16Å; A417-Y421 HydrophobicContact CB-CD2 4.33Å; A417-Y421 HydrophobicContact CB-CE2 4.09Å; A417-Y421 WeakPolarHBondContact O-CB 3.4Å; A417-Y421 WeakPolarHBondContact O-CD2 3.31Å; A417-Y421 PolarHBondContact O-N 3.22Å; A417-F430 HydrophobicContact CB-CD1 3.88Å; A417-F430 HydrophobicContact CB-CE1 3.61Å; A417-F430 HydrophobicContact CB-CZ 4.38Å; A417-F436 HydrophobicContact CB-CB 3.87Å; A417-F436 HydrophobicContact CB-CD2 4.43Å; A417-F436 HydrophobicContact CB-CG 4.14Å; A417-V439 HydrophobicContact CB-CG2 4.17Å; A417-P449 HydrophobicContact CB-CB 3.8Å; A417-P449 HydrophobicContact CB-CG 3.64Å |
| 418 | E | 98.1 | Very high | 95.3 | Very high | 100 Ų | 100 | 48.6 Ų | 48.6 | 47% | 0.467 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.1 | -50.3 | 177.5 | -177.9 | 64.2 | -146.4 | 0 | 0 | 111.4 | S416 C420 R422 V439 | S416-E418 VanDerWaalsContact C-N 3.32Å; S416-E418 PolarHBondContact O-N 2.93Å; E418-C420 PolarHBondContact O-N 3.39Å; E418-R422 WeakPolarHBondContact O-CB 3.44Å; E418-R422 PolarHBondContact O-N 3.38Å; E418-V439 HydrophobicContact CB-CG2 4.28Å; E418-V439 WeakPolarHBondContact OE2-CG1 3.3Å; E418-V439 WeakPolarHBondContact OE2-CG2 3.39Å |
| 419 | Q | 98.3 | Very high | 95.9 | Very high | 58 Ų | 58 | 47.4 Ų | 47.4 | 27% | 0.271 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 178.4 | -179.4 | -173.7 | -2.8 | 0 | 0 | 110.8 | F386 L391 S416 A417 I423 | F386-Q419 PolarHBondContact O-NE2 3.24Å; L391-Q419 HydrophobicContact CD1-CG 3.76Å; S416-Q419 PolarHBondContact O-N 2.98Å; S416-Q419 VanDerWaalsContact OG-CB 3.3Å; S416-Q419 WeakPolarHBondContact OG-CB 3.22Å; S416-Q419 PolarHBondContact OG-N 3.48Å; S416-Q419 VanDerWaalsContact OG-N 3.13Å; A417-Q419 PolarHBondContact O-N 3.48Å; Q419-I423 HydrophobicContact CG-CD1 3.59Å; Q419-I423 WeakPolarHBondContact O-CB 3.24Å; Q419-I423 WeakPolarHBondContact O-CD1 3.31Å; Q419-I423 WeakPolarHBondContact O-CG1 3.17Å; Q419-I423 PolarHBondContact O-N 2.93Å; Q419-I423 VanDerWaalsContact O-N 3.09Å |
| 420 | C | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.7 | -55.3 | -179.9 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | S416 A417 E418 R422 T424 A428 F430 | S416-C420 WeakPolarHBondContact O-CB 3.42Å; S416-C420 PolarHBondContact O-N 3.02Å; A417-C420 PolarHBondContact O-N 3.16Å; E418-C420 PolarHBondContact O-N 3.39Å; C420-R422 PolarHBondContact O-N 3.08Å; C420-T424 WeakPolarHBondContact O-CB 3Å; C420-T424 VanDerWaalsContact O-CG2 3.26Å; C420-T424 WeakPolarHBondContact O-CG2 3.46Å; C420-T424 PolarHBondContact O-N 3.2Å; C420-T424 VanDerWaalsContact O-N 3.08Å; C420-T424 PolarHBondContact O-OG1 3.09Å; C420-A428 WeakPolarHBondContact SG-CB 3.27Å; C420-F430 HydrophobicContact CB-CD2 3.77Å; C420-F430 HydrophobicContact CB-CE2 4.08Å; C420-F430 HydrophobicContact CB-CG 4.32Å; C420-F430 VanDerWaalsContact SG-CD2 3.54Å |
| 421 | Y | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.3 | -40.2 | -177.1 | -64.8 | -43.2 | 0 | 0 | 0 | 112.6 | A417 K425 G426 A428 F430 V439 L447 P449 | A417-Y421 HydrophobicContact CB-CD2 4.33Å; A417-Y421 HydrophobicContact CB-CE2 4.09Å; A417-Y421 WeakPolarHBondContact O-CB 3.4Å; A417-Y421 WeakPolarHBondContact O-CD2 3.31Å; A417-Y421 PolarHBondContact O-N 3.22Å; Y421-K425 CarbonylContact O-C 3.28Å; Y421-K425 WeakPolarHBondContact O-CA 3.34Å; Y421-K425 PolarHBondContact O-N 2.93Å; Y421-G426 PolarHBondContact O-N 3.25Å; Y421-A428 HydrophobicContact CD1-CB 4.44Å; Y421-F430 HydrophobicContact CD1-CB 4.48Å; Y421-F430 HydrophobicContact CE1-CB 3.62Å; Y421-V439 HydrophobicContact CD2-CB 3.78Å; Y421-V439 HydrophobicContact CD2-CG1 4Å; Y421-V439 HydrophobicContact CD2-CG2 3.94Å; Y421-V439 HydrophobicContact CE2-CB 4.32Å; Y421-V439 HydrophobicContact CE2-CG2 4.37Å; Y421-L447 HydrophobicContact CD1-CD1 3.68Å; Y421-L447 HydrophobicContact CD2-CB 4.31Å; Y421-L447 HydrophobicContact CD2-CD1 4.13Å; Y421-L447 HydrophobicContact CE1-CD1 3.66Å; Y421-L447 HydrophobicContact CE2-CB 3.82Å; Y421-L447 HydrophobicContact CE2-CD1 4.11Å; Y421-L447 HydrophobicContact CG-CD1 3.92Å; Y421-P449 HydrophobicContact CE2-CB 4.23Å |
| 422 | R | 97.8 | Very high | 97.7 | Very high | 187 Ų | 187 | 38.4 Ų | 38.4 | 71% | 0.706 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -62.6 | -49.2 | 179.8 | -176.8 | -179.6 | 126.6 | 129.3 | -0 | 111.9 | E418 C420 K425 | E418-R422 WeakPolarHBondContact O-CB 3.44Å; E418-R422 PolarHBondContact O-N 3.38Å; C420-R422 PolarHBondContact O-N 3.08Å; R422-K425 PolarHBondContact O-N 3.26Å |
| 423 | I | 98.5 | Very high | 97.6 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.7 | -39.2 | -175.8 | -71.1 | 158.8 | 0 | 0 | 0 | 111.3 | E388 L391 K392 Q419 K425 | E388-I423 HydrophobicContact CB-CD1 3.83Å; E388-I423 HydrophobicContact CG-CD1 3.74Å; E388-I423 HydrophobicContact CG-CG1 4.05Å; E388-I423 HydrophobicContact CG-CG2 4.23Å; L391-I423 HydrophobicContact CB-CB 4.21Å; L391-I423 HydrophobicContact CB-CG2 3.65Å; L391-I423 HydrophobicContact CD1-CB 4.46Å; L391-I423 HydrophobicContact CD1-CD1 3.8Å; K392-I423 HydrophobicContact CG-CG2 3.61Å; Q419-I423 HydrophobicContact CG-CD1 3.59Å; Q419-I423 WeakPolarHBondContact O-CB 3.24Å; Q419-I423 WeakPolarHBondContact O-CD1 3.31Å; Q419-I423 WeakPolarHBondContact O-CG1 3.17Å; Q419-I423 PolarHBondContact O-N 2.93Å; Q419-I423 VanDerWaalsContact O-N 3.09Å; I423-K425 PolarHBondContact O-N 3.09Å |
| 424 | T | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -80.5 | -2.1 | 176.7 | 68 | 0 | 0 | 0 | 0 | 112.9 | L391 A395 I403 C420 R427 A428 | L391-T424 HydrophobicContact CB-CG2 4.37Å; A395-T424 HydrophobicContact CB-CG2 3.86Å; I403-T424 HydrophobicContact CD1-CG2 4.19Å; C420-T424 WeakPolarHBondContact O-CB 3Å; C420-T424 VanDerWaalsContact O-CG2 3.26Å; C420-T424 WeakPolarHBondContact O-CG2 3.46Å; C420-T424 PolarHBondContact O-N 3.2Å; C420-T424 VanDerWaalsContact O-N 3.08Å; C420-T424 PolarHBondContact O-OG1 3.09Å; T424-R427 WeakPolarHBondContact O-CD 3.5Å; T424-R427 WeakPolarHBondContact O-CG 3.42Å; T424-R427 PolarHBondContact O-N 3.14Å; T424-R427 PolarHBondContact O-NE 3.16Å; T424-A428 HydrophobicContact CG2-CB 3.92Å; T424-A428 WeakPolarHBondContact OG1-CB 3.25Å; T424-A428 PolarHBondContact OG1-N 2.84Å |
| 425 | K | 97.9 | Very high | 96.7 | Very high | 176 Ų | 176 | 37 Ų | 37 | 77% | 0.765 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 42.9 | -179.6 | -49.3 | 176.8 | -177.9 | 177.9 | 0 | 112.6 | Y421 R422 I423 R427 | Y421-K425 CarbonylContact O-C 3.28Å; Y421-K425 WeakPolarHBondContact O-CA 3.34Å; Y421-K425 PolarHBondContact O-N 2.93Å; R422-K425 PolarHBondContact O-N 3.26Å; I423-K425 PolarHBondContact O-N 3.09Å; K425-R427 PolarHBondContact O-N 3.43Å |
| 426 | G | 97.2 | Very high | 96.4 | Very high | 15 Ų | 15 | 39 Ų | 39 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -0.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y421 | Y421-G426 PolarHBondContact O-N 3.25Š|
| 427 | R | 97.6 | Very high | 96.2 | Very high | 99 Ų | 99 | 43.9 Ų | 43.9 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | trans | -82.1 | -23 | -177.2 | 80.6 | -175.2 | 47.7 | -151.5 | -18.2 | 113.6 | A395 E399 R400 P401 T424 K425 | A395-R427 HydrophobicContact CB-CG 4.47Å; A395-R427 PolarHBondContact O-NH1 2.87Å; E399-R427 WeakPolarHBondContact O-CB 3.35Å; E399-R427 WeakPolarHBondContact O-CD 3.47Å; R400-R427 WeakPolarHBondContact CD-O 3.45Å; R400-R427 PolarHBondContact NE-O 2.84Å; P401-R427 HydrophobicContact CG-CG 4.32Å; T424-R427 WeakPolarHBondContact O-CD 3.5Å; T424-R427 WeakPolarHBondContact O-CG 3.42Å; T424-R427 PolarHBondContact O-N 3.14Å; T424-R427 PolarHBondContact O-NE 3.16Å; K425-R427 PolarHBondContact O-N 3.43Å | ||
| 428 | A | 98.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | trans | -61.5 | 143.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P401 I403 C420 Y421 T424 | P401-A428 HydrophobicContact CG-CB 4.27Å; P401-A428 WeakPolarHBondContact O-CA 3.24Å; I403-A428 HydrophobicContact CD1-CB 4.04Å; C420-A428 WeakPolarHBondContact SG-CB 3.27Å; Y421-A428 HydrophobicContact CD1-CB 4.44Å; T424-A428 HydrophobicContact CG2-CB 3.92Å; T424-A428 WeakPolarHBondContact OG1-CB 3.25Å; T424-A428 PolarHBondContact OG1-N 2.84Å | ||
| 429 | I | 98.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 107.1 | 166.6 | -58.2 | 170.1 | 0 | 0 | 0 | 105.8 | A284 I287 T288 R400 P401 I402 I403 L499 | A284-I429 HydrophobicContact CB-CD1 4.41Å; A284-I429 HydrophobicContact CB-CG2 3.92Å; I287-I429 HydrophobicContact CB-CD1 3.79Å; I287-I429 HydrophobicContact CD1-CD1 4.26Å; I287-I429 HydrophobicContact CD1-CG1 4.25Å; I287-I429 HydrophobicContact CD1-CG2 4.08Å; I287-I429 HydrophobicContact CG2-CD1 3.69Å; I287-I429 HydrophobicContact CG2-CG1 4.1Å; T288-I429 HydrophobicContact CG2-CD1 3.56Å; R400-I429 HydrophobicContact CB-CD1 3.94Å; R400-I429 HydrophobicContact CB-CG1 4.29Å; P401-I429 PolarHBondContact O-N 3.16Å; I402-I429 HydrophobicContact CG1-CB 4.36Å; I402-I429 HydrophobicContact CG1-CD1 4.16Å; I403-I429 PolarHBondContact N-O 3.21Å; I429-L499 HydrophobicContact CG2-CD1 3.62Å; I429-L499 HydrophobicContact CG2-CD2 3.64Å; I429-L499 HydrophobicContact CG2-CG 3.91Å |
| 430 | F | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.1 | -169.3 | -178.4 | -97.2 | 0 | 0 | 0 | 112.7 | I403 A405 A417 C420 Y421 F436 P449 | I403-F430 HydrophobicContact CB-CD2 4.33Å; I403-F430 HydrophobicContact CG2-CD2 4.13Å; I403-F430 HydrophobicContact CG2-CE2 4.46Å; I403-F430 WeakPolarHBondContact O-CA 3.42Å; I403-F430 VanDerWaalsContact O-CD2 3.25Å; I403-F430 WeakPolarHBondContact O-CD2 3.41Å; A405-F430 HydrophobicContact CB-CE2 3.9Å; A405-F430 HydrophobicContact CB-CZ 4.05Å; A417-F430 HydrophobicContact CB-CD1 3.88Å; A417-F430 HydrophobicContact CB-CE1 3.61Å; A417-F430 HydrophobicContact CB-CZ 4.38Å; C420-F430 HydrophobicContact CB-CD2 3.77Å; C420-F430 HydrophobicContact CB-CE2 4.08Å; C420-F430 HydrophobicContact CB-CG 4.32Å; C420-F430 VanDerWaalsContact SG-CD2 3.54Å; Y421-F430 HydrophobicContact CD1-CB 4.48Å; Y421-F430 HydrophobicContact CE1-CB 3.62Å; F430-F436 HydrophobicContact CE1-CD2 4.23Å; F430-F436 HydrophobicContact CZ-CD2 4.48Å; F430-F436 HydrophobicContact CZ-CE2 4.41Å; F430-P449 HydrophobicContact CD1-CB 3.69Å; F430-P449 HydrophobicContact CE1-CB 4.1Å |
| 431 | A | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 158.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I403 F404 A405 G450 L499 Y500 | I403-A431 PolarHBondContact O-N 3.43Å; F404-A431 CarbonylContact C-O 3.45Å; F404-A431 VanDerWaalsContact CA-O 3.32Å; F404-A431 WeakPolarHBondContact CA-O 3.43Å; F404-A431 HydrophobicContact CD1-CB 3.7Å; F404-A431 HydrophobicContact CE1-CB 3.81Å; F404-A431 HydrophobicContact CG-CB 4.3Å; F404-A431 HydrophobicContact CZ-CB 4.45Å; A405-A431 PolarHBondContact N-O 2.99Å; A431-G450 WeakPolarHBondContact CA-O 3.49Å; A431-L499 HydrophobicContact CB-CD1 4.08Å; A431-Y500 HydrophobicContact CB-CE2 3.82Å |
| 432 | S | 95.8 | Very high | 96 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 162.4 | -179.2 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | A405 S434 F436 G450 Q451 G452 | A405-S432 CarbonylContact O-C 3.53Å; A405-S432 WeakPolarHBondContact O-CA 3.36Å; A405-S432 WeakPolarHBondContact O-CB 3.46Å; S432-S434 PolarHBondContact OG-O 2.64Å; S432-F436 WeakPolarHBondContact OG-CD2 3.2Å; S432-G450 PolarHBondContact N-O 2.88Å; S432-G450 VanDerWaalsContact N-O 3.07Å; S432-Q451 CarbonylContact O-C 3.59Å; S432-Q451 VanDerWaalsContact O-CA 3.25Å; S432-Q451 WeakPolarHBondContact O-CA 3.46Å; S432-G452 PolarHBondContact O-N 3.12Å |
| 433 | G | 89.9 | Confident | 95.7 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -76.9 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A405 N408 | A405-G433 PolarHBondContact O-N 3.25Å; N408-G433 PolarHBondContact OD1-O 3.18Å |
| 434 | S | 86.2 | Confident | 95.6 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -96.7 | 155.1 | 179 | -68 | 0 | 0 | 0 | 0 | 112 | N408 P409 T410 S432 | N408-S434 PolarHBondContact OD1-N 3.27Å; N408-S434 VanDerWaalsContact OD1-N 3.08Å; N408-S434 PolarHBondContact OD1-OG 3.42Å; P409-S434 VanDerWaalsContact C-OG 3.26Å; P409-S434 WeakPolarHBondContact CA-OG 3.5Å; T410-S434 PolarHBondContact N-OG 3.19Å; T410-S434 VanDerWaalsContact N-OG 3.1Å; T410-S434 VanDerWaalsContact OG1-CB 3.32Å; T410-S434 WeakPolarHBondContact OG1-CB 3.48Å; S432-S434 PolarHBondContact OG-O 2.64Å |
| 435 | P | 88.4 | Confident | 95.5 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 33% | 0.325 | 30% | 0.304 | S | S | . | . | trans | -63.5 | 141.5 | 177.4 | 24.9 | -34.3 | 0 | 0 | 0 | 113 | Q451 | P435-Q451 VanDerWaalsContact CB-NE2 3.32Š| ||
| 436 | F | 92.7 | Very high | 95.5 | Very high | 46 Ų | 46 | 47.3 Ų | 47.3 | 20% | 0.202 | 28% | 0.279 | C | S | . | . | trans | -130.4 | 147.5 | 164 | -74 | -75.5 | 0 | 0 | 0 | 109.9 | T410 A413 A417 F430 S432 P449 | T410-F436 HydrophobicContact CG2-CD1 4.32Å; T410-F436 HydrophobicContact CG2-CE1 3.49Å; T410-F436 VanDerWaalsContact CG2-CE1 3.49Å; T410-F436 HydrophobicContact CG2-CZ 3.62Å; A413-F436 HydrophobicContact CB-CE2 4.21Å; A413-F436 HydrophobicContact CB-CZ 3.93Å; A417-F436 HydrophobicContact CB-CB 3.87Å; A417-F436 HydrophobicContact CB-CD2 4.43Å; A417-F436 HydrophobicContact CB-CG 4.14Å; F430-F436 HydrophobicContact CE1-CD2 4.23Å; F430-F436 HydrophobicContact CZ-CD2 4.48Å; F430-F436 HydrophobicContact CZ-CE2 4.41Å; S432-F436 WeakPolarHBondContact OG-CD2 3.2Å; F436-P449 HydrophobicContact CB-CG 4.05Å | ||
| 437 | D | 94.3 | Very high | 95.5 | Very high | 138 Ų | 138 | 47 Ų | 47 | 74% | 0.738 | 27% | 0.274 | S | S | * | . | trans | -65.5 | 158.4 | 176.1 | -68.6 | -38 | 0 | 0 | 0 | 112.2 | ||||
| 438 | P | 97.4 | Very high | 95.5 | Very high | 69 Ų | 69 | 46 Ų | 46 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | trans | -59.1 | 146.1 | 171.9 | -21.2 | 33.4 | 0 | 0 | 0 | 112.3 | T446 L447 Y448 | P438-T446 HydrophobicContact CB-CG2 3.88Å; P438-L447 CarbonylContact C-O 3.57Å; P438-L447 WeakPolarHBondContact CA-O 3.31Å; P438-Y448 HydrophobicContact CB-CD1 3.71Å; P438-Y448 HydrophobicContact CB-CE1 3.8Å; P438-Y448 HydrophobicContact CB-CG 4.35Å; P438-Y448 HydrophobicContact CG-CD1 3.52Å; P438-Y448 HydrophobicContact CG-CE1 3.65Å | ||
| 439 | V | 98.3 | Very high | 95.3 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.2 | -177.6 | 173.8 | 0 | 0 | 0 | 0 | 109.9 | A417 E418 Y421 L441 T446 L447 | A417-V439 HydrophobicContact CB-CG2 4.17Å; E418-V439 HydrophobicContact CB-CG2 4.28Å; E418-V439 WeakPolarHBondContact OE2-CG1 3.3Å; E418-V439 WeakPolarHBondContact OE2-CG2 3.39Å; Y421-V439 HydrophobicContact CD2-CB 3.78Å; Y421-V439 HydrophobicContact CD2-CG1 4Å; Y421-V439 HydrophobicContact CD2-CG2 3.94Å; Y421-V439 HydrophobicContact CE2-CB 4.32Å; Y421-V439 HydrophobicContact CE2-CG2 4.37Å; V439-L441 HydrophobicContact CG1-CD2 4.23Å; V439-T446 WeakPolarHBondContact O-CA 3.4Å; V439-L447 PolarHBondContact N-O 2.96Å; V439-L447 PolarHBondContact O-N 3.17Å |
| 440 | T | 98.3 | Very high | 95 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 56% | 0.564 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 118.2 | 175.3 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | T446 | T440-T446 PolarHBondContact OG1-OG1 2.67Å |
| 441 | L | 96.5 | Very high | 94.6 | Very high | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | trans | -79.1 | 162.1 | -178.3 | -60.3 | -179.2 | 0 | 0 | 0 | 112.1 | V439 N443 G444 Q445 L447 | V439-L441 HydrophobicContact CG1-CD2 4.23Å; L441-N443 VanDerWaalsContact CB-OD1 3.25Å; L441-N443 WeakPolarHBondContact CB-OD1 3.48Å; L441-N443 PolarHBondContact O-N 3.2Å; L441-N443 VanDerWaalsContact O-N 3.08Å; L441-G444 PolarHBondContact O-N 3.13Å; L441-Q445 WeakPolarHBondContact CB-O 3.44Å; L441-Q445 PolarHBondContact N-O 3.07Å; L441-L447 HydrophobicContact CD1-CD1 3.92Å; L441-L447 HydrophobicContact CD1-CG 4.28Å; L441-L447 HydrophobicContact CG-CD1 4.45Å | ||
| 442 | P | 95.8 | Very high | 94.3 | Very high | 142 Ų | 142 | 48.3 Ų | 48.3 | 92% | 0.922 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21.3 | 177.6 | -25.9 | 35.1 | 0 | 0 | 0 | 115.2 | G444 | P442-G444 PolarHBondContact O-N 2.94Š|
| 443 | N | 92.4 | Very high | 93.9 | Very high | 116 Ų | 116 | 48.9 Ų | 48.9 | 62% | 0.62 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.3 | 175.9 | 67.8 | -3.1 | 0 | 0 | 0 | 113.2 | L441 Q445 | L441-N443 VanDerWaalsContact CB-OD1 3.25Å; L441-N443 WeakPolarHBondContact CB-OD1 3.48Å; L441-N443 PolarHBondContact O-N 3.2Å; L441-N443 VanDerWaalsContact O-N 3.08Å; N443-Q445 VanDerWaalsContact C-N 3.34Å; N443-Q445 VanDerWaalsContact OD1-CB 3.27Å; N443-Q445 WeakPolarHBondContact OD1-CB 3.45Å; N443-Q445 PolarHBondContact OD1-N 2.7Å |
| 444 | G | 95.4 | Very high | 94 | Very high | 58 Ų | 58 | 49.9 Ų | 49.9 | 60% | 0.598 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 85.4 | -3.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L441 P442 | L441-G444 PolarHBondContact O-N 3.13Å; P442-G444 PolarHBondContact O-N 2.94Å |
| 445 | Q | 96.2 | Very high | 94.4 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 131.3 | 175.5 | -174.1 | 179.5 | 11.6 | 0 | 0 | 110.4 | L441 N443 L447 E495 | L441-Q445 WeakPolarHBondContact CB-O 3.44Å; L441-Q445 PolarHBondContact N-O 3.07Å; N443-Q445 VanDerWaalsContact C-N 3.34Å; N443-Q445 VanDerWaalsContact OD1-CB 3.27Å; N443-Q445 WeakPolarHBondContact OD1-CB 3.45Å; N443-Q445 PolarHBondContact OD1-N 2.7Å; Q445-L447 HydrophobicContact CG-CD2 4.24Å; Q445-E495 PolarHBondContact NE2-O 3.44Å |
| 446 | T | 97.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 47.4 Ų | 47.4 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.7 | 171.8 | -55.9 | 0 | 0 | 0 | 0 | 110 | P438 V439 T440 Y448 | P438-T446 HydrophobicContact CB-CG2 3.88Å; V439-T446 WeakPolarHBondContact O-CA 3.4Å; T440-T446 PolarHBondContact OG1-OG1 2.67Å; T446-Y448 HydrophobicContact CG2-CD2 4.38Å; T446-Y448 HydrophobicContact CG2-CE1 4.37Å; T446-Y448 HydrophobicContact CG2-CE2 3.78Å |
| 447 | L | 98.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.6 | 174.4 | -61.8 | 179.9 | 0 | 0 | 0 | 110.4 | Y421 P438 V439 L441 Q445 P449 E496 | Y421-L447 HydrophobicContact CD1-CD1 3.68Å; Y421-L447 HydrophobicContact CD2-CB 4.31Å; Y421-L447 HydrophobicContact CD2-CD1 4.13Å; Y421-L447 HydrophobicContact CE1-CD1 3.66Å; Y421-L447 HydrophobicContact CE2-CB 3.82Å; Y421-L447 HydrophobicContact CE2-CD1 4.11Å; Y421-L447 HydrophobicContact CG-CD1 3.92Å; P438-L447 CarbonylContact C-O 3.57Å; P438-L447 WeakPolarHBondContact CA-O 3.31Å; V439-L447 PolarHBondContact N-O 2.96Å; V439-L447 PolarHBondContact O-N 3.17Å; L441-L447 HydrophobicContact CD1-CD1 3.92Å; L441-L447 HydrophobicContact CD1-CG 4.28Å; L441-L447 HydrophobicContact CG-CD1 4.45Å; Q445-L447 HydrophobicContact CG-CD2 4.24Å; L447-P449 WeakPolarHBondContact O-CD 3.43Å; L447-E496 CarbonylContact C-O 3.6Å; L447-E496 WeakPolarHBondContact CA-O 3.38Å |
| 448 | Y | 97.4 | Very high | 95.4 | Very high | 78 Ų | 78 | 38.7 Ų | 38.7 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | trans | -115.6 | 91.7 | -178.5 | -62.2 | -98.1 | 0 | 0 | 0 | 108.7 | P438 T446 G450 E496 R498 | P438-Y448 HydrophobicContact CB-CD1 3.71Å; P438-Y448 HydrophobicContact CB-CE1 3.8Å; P438-Y448 HydrophobicContact CB-CG 4.35Å; P438-Y448 HydrophobicContact CG-CD1 3.52Å; P438-Y448 HydrophobicContact CG-CE1 3.65Å; T446-Y448 HydrophobicContact CG2-CD2 4.38Å; T446-Y448 HydrophobicContact CG2-CE1 4.37Å; T446-Y448 HydrophobicContact CG2-CE2 3.78Å; Y448-G450 PolarHBondContact O-N 3.04Å; Y448-E496 HydrophobicContact CD2-CB 3.96Å; Y448-E496 HydrophobicContact CD2-CG 4.26Å; Y448-E496 HydrophobicContact CE2-CG 4.43Å; Y448-E496 PolarHBondContact N-O 2.99Å; Y448-R498 VanDerWaalsContact CG-CZ 3.45Å; Y448-R498 VanDerWaalsContact O-CG 3.29Å; Y448-R498 WeakPolarHBondContact O-CG 3.27Å | ||
| 449 | P | 95.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 8% | 0.084 | 21% | 0.211 | C | C | . | . | trans | -60.7 | 127.9 | -175 | 27.7 | -35.8 | 0 | 0 | 0 | 111 | A417 Y421 F430 F436 L447 | A417-P449 HydrophobicContact CB-CB 3.8Å; A417-P449 HydrophobicContact CB-CG 3.64Å; Y421-P449 HydrophobicContact CE2-CB 4.23Å; F430-P449 HydrophobicContact CD1-CB 3.69Å; F430-P449 HydrophobicContact CE1-CB 4.1Å; F436-P449 HydrophobicContact CB-CG 4.05Å; L447-P449 WeakPolarHBondContact O-CD 3.43Å | ||
| 450 | G | 90.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 8% | 0.082 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 151.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A431 S432 Y448 | A431-G450 WeakPolarHBondContact CA-O 3.49Å; S432-G450 PolarHBondContact N-O 2.88Å; S432-G450 VanDerWaalsContact N-O 3.07Å; Y448-G450 PolarHBondContact O-N 3.04Å |
| 451 | Q | 91.8 | Very high | 95.5 | Very high | 30 Ų | 30 | 30.7 Ų | 30.7 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 115.5 | 172.7 | -68.7 | 172.5 | 47.8 | 0 | 0 | 110.5 | S432 P435 N453 Y456 Y500 | S432-Q451 CarbonylContact O-C 3.59Å; S432-Q451 VanDerWaalsContact O-CA 3.25Å; S432-Q451 WeakPolarHBondContact O-CA 3.46Å; P435-Q451 VanDerWaalsContact CB-NE2 3.32Å; Q451-N453 HydrophobicContact CB-CB 4.46Å; Q451-N453 PolarHBondContact O-N 2.77Å; Q451-Y456 WeakPolarHBondContact O-CE2 3.32Å; Q451-Y500 WeakPolarHBondContact O-CD2 3.04Å |
| 452 | G | 90.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 30 Ų | 30 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | trans | -76.5 | 59.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S432 Y500 | S432-G452 PolarHBondContact O-N 3.12Å; G452-Y500 VanDerWaalsContact CA-CE2 3.49Å; G452-Y500 VanDerWaalsContact CA-CZ 3.47Å | ||
| 453 | N | 86.9 | Confident | 95.8 | Very high | 13 Ų | 13 | 23.5 Ų | 23.5 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | trans | -88.4 | 131.4 | -175.3 | -169 | -46.3 | 0 | 0 | 0 | 110.9 | Q451 S455 Y456 | Q451-N453 HydrophobicContact CB-CB 4.46Å; Q451-N453 PolarHBondContact O-N 2.77Å; N453-S455 PolarHBondContact O-N 2.85Å; N453-S455 VanDerWaalsContact OD1-CB 3.22Å; N453-S455 WeakPolarHBondContact OD1-CB 3.38Å; N453-S455 PolarHBondContact OD1-N 3.05Å; N453-S455 PolarHBondContact OD1-OG 3.17Å; N453-Y456 WeakPolarHBondContact O-CD2 3.45Å; N453-Y456 PolarHBondContact O-N 3.19Å | ||
| 454 | N | 93.3 | Very high | 96.1 | Very high | 25 Ų | 25 | 18 Ų | 18 | 13% | 0.134 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -56.8 | -18 | 178.5 | -64.6 | 23.8 | 0 | 0 | 0 | 113.3 | D268 T273 Y456 V457 F458 | D268-N454 PolarHBondContact O-ND2 2.91Å; D268-N454 WeakPolarHBondContact OD2-CB 3.25Å; D268-N454 PolarHBondContact OD2-ND2 2.88Å; T273-N454 PolarHBondContact N-ND2 2.9Å; T273-N454 PolarHBondContact OG1-ND2 3.31Å; N454-Y456 PolarHBondContact O-N 3.27Å; N454-Y456 VanDerWaalsContact O-N 3.09Å; N454-V457 PolarHBondContact O-N 2.89Å; N454-F458 HydrophobicContact CB-CD1 4.07Å; N454-F458 HydrophobicContact CB-CE1 4.26Å; N454-F458 WeakPolarHBondContact O-CD1 3.38Å; N454-F458 PolarHBondContact O-N 3.3Å |
| 455 | S | 95.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -57.8 | -17.1 | 172.4 | -55.8 | 0 | 0 | 0 | 0 | 114.3 | L176 N453 V457 F458 P459 I506 | L176-S455 WeakPolarHBondContact CD1-OG 3.32Å; N453-S455 PolarHBondContact O-N 2.85Å; N453-S455 VanDerWaalsContact OD1-CB 3.22Å; N453-S455 WeakPolarHBondContact OD1-CB 3.38Å; N453-S455 PolarHBondContact OD1-N 3.05Å; N453-S455 PolarHBondContact OD1-OG 3.17Å; S455-V457 VanDerWaalsContact C-N 3.29Å; S455-F458 VanDerWaalsContact CA-CE1 3.48Å; S455-P459 WeakPolarHBondContact O-CD 3.48Å; S455-P459 WeakPolarHBondContact O-CG 3.41Å; S455-I506 WeakPolarHBondContact O-CD1 3.45Å |
| 456 | Y | 98 | Very high | 96.4 | Very high | 5 Ų | 5 | 12 Ų | 12 | 2% | 0.02 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -73.5 | -19.2 | 168.8 | -74.2 | -74.2 | 0 | 0 | 0 | 113.8 | V276 Q451 N453 N454 Y500 P501 L503 I506 V509 I513 | V276-Y456 HydrophobicContact CG2-CD2 4.4Å; Q451-Y456 WeakPolarHBondContact O-CE2 3.32Å; N453-Y456 WeakPolarHBondContact O-CD2 3.45Å; N453-Y456 PolarHBondContact O-N 3.19Å; N454-Y456 PolarHBondContact O-N 3.27Å; N454-Y456 VanDerWaalsContact O-N 3.09Å; Y456-Y500 HydrophobicContact CE2-CG 4.44Å; Y456-P501 HydrophobicContact CE1-CB 4.38Å; Y456-P501 PolarHBondContact OH-O 2.69Å; Y456-L503 HydrophobicContact CE2-CD2 4.07Å; Y456-L503 VanDerWaalsContact OH-CD2 3.26Å; Y456-L503 WeakPolarHBondContact OH-CD2 3.46Å; Y456-L503 WeakPolarHBondContact OH-CG 3.36Å; Y456-I506 HydrophobicContact CD1-CD1 3.13Å; Y456-I506 HydrophobicContact CE1-CD1 3.4Å; Y456-I506 HydrophobicContact CG-CD1 3.76Å; Y456-V509 HydrophobicContact CD1-CG1 4.41Å; Y456-I513 WeakPolarHBondContact O-CD1 3.47Å |
| 457 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -68.1 | -167.6 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | V276 N454 S455 P459 G460 V461 F478 T481 I485 | V276-V457 HydrophobicContact CB-CG2 3.84Å; N454-V457 PolarHBondContact O-N 2.89Å; S455-V457 VanDerWaalsContact C-N 3.29Å; V457-P459 VanDerWaalsContact C-N 3.32Å; V457-P459 VanDerWaalsContact O-N 3.16Å; V457-G460 PolarHBondContact O-N 3.06Å; V457-V461 HydrophobicContact CG1-CG2 3.86Å; V457-V461 WeakPolarHBondContact O-CG2 3.44Å; V457-V461 PolarHBondContact O-N 3.48Å; V457-F478 HydrophobicContact CG1-CD1 4.04Å; V457-F478 HydrophobicContact CG1-CE1 4.24Å; V457-T481 HydrophobicContact CB-CG2 4.44Å; V457-T481 HydrophobicContact CG1-CG2 3.97Å; V457-T481 HydrophobicContact CG2-CG2 4.4Å; V457-I485 HydrophobicContact CG2-CD1 3.78Å |
| 458 | F | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -56.8 | -35.2 | -168.9 | 66.4 | -103.8 | 0 | 0 | 0 | 114.4 | K173 L176 Y177 F266 D268 N454 S455 A462 | K173-F458 HydrophobicContact CG-CD2 4.46Å; K173-F458 HydrophobicContact CG-CE1 4.34Å; K173-F458 HydrophobicContact CG-CE2 4.03Å; K173-F458 HydrophobicContact CG-CZ 3.98Å; L176-F458 HydrophobicContact CB-CE2 3.82Å; L176-F458 HydrophobicContact CB-CZ 3.76Å; L176-F458 HydrophobicContact CD1-CZ 4.05Å; Y177-F458 AromaticContact CD2-CD2 3.35Å; Y177-F458 HydrophobicContact CD2-CD2 3.35Å; Y177-F458 AromaticContact CD2-CE2 3.54Å; Y177-F458 HydrophobicContact CD2-CE2 3.54Å; Y177-F458 HydrophobicContact CE2-CB 4.25Å; Y177-F458 AromaticContact CE2-CD2 3.18Å; Y177-F458 HydrophobicContact CE2-CD2 3.18Å; Y177-F458 AromaticContact CE2-CE2 3.78Å; Y177-F458 HydrophobicContact CE2-CE2 3.78Å; Y177-F458 AromaticContact CE2-CG 3.99Å; Y177-F458 HydrophobicContact CE2-CG 3.99Å; Y177-F458 HydrophobicContact CG-CD2 4.44Å; F266-F458 HydrophobicContact CE2-CB 4.45Å; F266-F458 HydrophobicContact CZ-CB 4.12Å; D268-F458 WeakPolarHBondContact OD1-CB 3.29Å; N454-F458 HydrophobicContact CB-CD1 4.07Å; N454-F458 HydrophobicContact CB-CE1 4.26Å; N454-F458 WeakPolarHBondContact O-CD1 3.38Å; N454-F458 PolarHBondContact O-N 3.3Å; S455-F458 VanDerWaalsContact CA-CE1 3.48Å; F458-A462 WeakPolarHBondContact O-CB 3.16Å; F458-A462 PolarHBondContact O-N 3.08Å |
| 459 | P | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -68.6 | -42.7 | -178.5 | -15 | 28.7 | 0 | 0 | 0 | 112.1 | C180 G181 S455 V457 L463 | C180-P459 HydrophobicContact CB-CB 3.88Å; C180-P459 HydrophobicContact CB-CG 3.69Å; G181-P459 VanDerWaalsContact N-CB 3.31Å; S455-P459 WeakPolarHBondContact O-CD 3.48Å; S455-P459 WeakPolarHBondContact O-CG 3.41Å; V457-P459 VanDerWaalsContact C-N 3.32Å; V457-P459 VanDerWaalsContact O-N 3.16Å; P459-L463 VanDerWaalsContact O-CB 3.32Å; P459-L463 WeakPolarHBondContact O-CB 3.36Å; P459-L463 PolarHBondContact O-N 3.24Å |
| 460 | G | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -69.9 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V457 L463 G464 S510 | V457-G460 PolarHBondContact O-N 3.06Å; G460-L463 PolarHBondContact O-N 2.95Å; G460-G464 PolarHBondContact O-N 3.08Å; G460-S510 WeakPolarHBondContact CA-O 3.38Å |
| 461 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.8 | -50.9 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | V457 L463 G464 V465 I477 F478 T481 I513 I517 | V457-V461 HydrophobicContact CG1-CG2 3.86Å; V457-V461 WeakPolarHBondContact O-CG2 3.44Å; V457-V461 PolarHBondContact O-N 3.48Å; V461-L463 VanDerWaalsContact C-N 3.34Å; V461-L463 PolarHBondContact O-N 3.12Å; V461-G464 PolarHBondContact O-N 3.49Å; V461-V465 HydrophobicContact CG1-CG2 4.13Å; V461-V465 WeakPolarHBondContact O-CB 3.31Å; V461-V465 VanDerWaalsContact O-CG2 3.25Å; V461-V465 WeakPolarHBondContact O-CG2 3.43Å; V461-V465 PolarHBondContact O-N 2.99Å; V461-I477 HydrophobicContact CG1-CG2 4.26Å; V461-I477 HydrophobicContact CG2-CG2 4.46Å; V461-F478 HydrophobicContact CG1-CE1 4.36Å; V461-F478 HydrophobicContact CG1-CZ 4.5Å; V461-F478 HydrophobicContact CG2-CE1 4.36Å; V461-T481 HydrophobicContact CG2-CG2 4.07Å; V461-I513 HydrophobicContact CG2-CG2 4.27Å; V461-I517 HydrophobicContact CB-CD1 4.37Å; V461-I517 HydrophobicContact CG2-CD1 4.23Å |
| 462 | A | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -59.4 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y177 M183 L241 F458 G464 V466 | Y177-A462 HydrophobicContact CD1-CB 3.65Å; Y177-A462 HydrophobicContact CE1-CB 3.18Å; M183-A462 VanDerWaalsContact CE-C 3.45Å; M183-A462 HydrophobicContact CE-CB 3.93Å; M183-A462 WeakPolarHBondContact CE-O 3.35Å; L241-A462 HydrophobicContact CD2-CB 3.54Å; F458-A462 WeakPolarHBondContact O-CB 3.16Å; F458-A462 PolarHBondContact O-N 3.08Å; A462-G464 PolarHBondContact O-N 3.12Å; A462-V466 VanDerWaalsContact O-CB 3.29Å; A462-V466 WeakPolarHBondContact O-CB 3.11Å; A462-V466 VanDerWaalsContact O-CG2 3.25Å; A462-V466 WeakPolarHBondContact O-CG2 3.44Å; A462-V466 PolarHBondContact O-N 3.39Å |
| 463 | L | 98.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 12.6 Ų | 12.6 | 3% | 0.031 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.9 | -49.2 | 176.1 | -179.7 | 68.4 | 0 | 0 | 0 | 111.4 | G181 P459 G460 V461 A467 A514 V540 M544 | G181-L463 VanDerWaalsContact O-CD2 3.3Å; G181-L463 WeakPolarHBondContact O-CD2 3.37Å; P459-L463 VanDerWaalsContact O-CB 3.32Å; P459-L463 WeakPolarHBondContact O-CB 3.36Å; P459-L463 PolarHBondContact O-N 3.24Å; G460-L463 PolarHBondContact O-N 2.95Å; V461-L463 VanDerWaalsContact C-N 3.34Å; V461-L463 PolarHBondContact O-N 3.12Å; L463-A467 WeakPolarHBondContact O-CB 3.39Å; L463-A467 PolarHBondContact O-N 3.4Å; L463-A514 HydrophobicContact CB-CB 3.96Å; L463-A514 HydrophobicContact CD2-CB 3.58Å; L463-A514 HydrophobicContact CG-CB 3.72Å; L463-V540 HydrophobicContact CD1-CG1 4.47Å; L463-V540 HydrophobicContact CD2-CG1 3.49Å; L463-V540 VanDerWaalsContact CD2-CG1 3.49Å; L463-V540 HydrophobicContact CG-CG1 3.95Å; L463-M544 HydrophobicContact CD1-CG 4.18Å; L463-M544 HydrophobicContact CD2-CE 4.23Å; L463-M544 HydrophobicContact CD2-CG 3.91Å; L463-M544 HydrophobicContact CD2-SD 4.16Å |
| 464 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | G460 V461 A462 A467 C468 | G460-G464 PolarHBondContact O-N 3.08Å; V461-G464 PolarHBondContact O-N 3.49Å; A462-G464 PolarHBondContact O-N 3.12Å; G464-A467 PolarHBondContact O-N 2.91Å; G464-C468 PolarHBondContact O-N 2.98Å; G464-C468 VanDerWaalsContact O-N 3.13Å; G464-C468 PolarHBondContact O-SG 3.08Å |
| 465 | V | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.8 | -51.2 | 178.4 | 165.6 | 0 | 0 | 0 | 0 | 110.9 | L241 C264 V461 A467 G469 L470 I473 | L241-V465 HydrophobicContact CD1-CG1 4.37Å; C264-V465 WeakPolarHBondContact SG-CG1 3.13Å; V461-V465 HydrophobicContact CG1-CG2 4.13Å; V461-V465 WeakPolarHBondContact O-CB 3.31Å; V461-V465 VanDerWaalsContact O-CG2 3.25Å; V461-V465 WeakPolarHBondContact O-CG2 3.43Å; V461-V465 PolarHBondContact O-N 2.99Å; V465-A467 PolarHBondContact O-N 3.34Å; V465-G469 WeakPolarHBondContact O-CA 3.32Å; V465-G469 PolarHBondContact O-N 3.19Å; V465-L470 HydrophobicContact CB-CB 4.41Å; V465-L470 HydrophobicContact CG1-CB 4.19Å; V465-L470 HydrophobicContact CG2-CB 4.36Å; V465-L470 HydrophobicContact CG2-CD2 4.07Å; V465-L470 PolarHBondContact O-N 2.99Å; V465-I473 HydrophobicContact CG1-CD1 4.27Å; V465-I473 HydrophobicContact CG1-CG1 4.46Å; V465-I473 HydrophobicContact CG2-CD1 3.99Å; V465-I473 HydrophobicContact CG2-CG1 3.98Å |
| 466 | V | 98.8 | Very high | 98.2 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 9% | 0.091 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.8 | -36.8 | -179.1 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | K146 M183 L241 A462 | K146-V466 HydrophobicContact CB-CG1 3.83Å; K146-V466 HydrophobicContact CB-CG2 4.36Å; K146-V466 HydrophobicContact CD-CG1 3.53Å; K146-V466 HydrophobicContact CG-CG1 4.35Å; M183-V466 HydrophobicContact CE-CB 3.96Å; M183-V466 HydrophobicContact CE-CG1 4.4Å; M183-V466 HydrophobicContact CE-CG2 3.84Å; M183-V466 HydrophobicContact SD-CB 4.33Å; M183-V466 HydrophobicContact SD-CG1 4.1Å; M183-V466 HydrophobicContact SD-CG2 4.36Å; L241-V466 HydrophobicContact CB-CG2 4.23Å; L241-V466 HydrophobicContact CD2-CG2 4.44Å; A462-V466 VanDerWaalsContact O-CB 3.29Å; A462-V466 WeakPolarHBondContact O-CB 3.11Å; A462-V466 VanDerWaalsContact O-CG2 3.25Å; A462-V466 WeakPolarHBondContact O-CG2 3.44Å; A462-V466 PolarHBondContact O-N 3.39Å |
| 467 | A | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.008 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.4 | -39.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L463 G464 V465 V518 F539 | L463-A467 WeakPolarHBondContact O-CB 3.39Å; L463-A467 PolarHBondContact O-N 3.4Å; G464-A467 PolarHBondContact O-N 2.91Å; V465-A467 PolarHBondContact O-N 3.34Å; A467-V518 HydrophobicContact CB-CG2 4.19Å; A467-F539 HydrophobicContact CB-CE1 4.19Å; A467-F539 VanDerWaalsContact O-CE1 3.32Å; A467-F539 WeakPolarHBondContact O-CE1 3.22Å; A467-F539 VanDerWaalsContact O-CZ 3.23Å; A467-F539 WeakPolarHBondContact O-CZ 3.42Å |
| 468 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -96.5 | -4.4 | 178 | 67 | 0 | 0 | 0 | 0 | 114.4 | G464 V518 A521 Y522 A527 T528 V529 | G464-C468 PolarHBondContact O-N 2.98Å; G464-C468 VanDerWaalsContact O-N 3.13Å; G464-C468 PolarHBondContact O-SG 3.08Å; C468-V518 HydrophobicContact CB-CB 4.41Å; C468-V518 HydrophobicContact CB-CG1 4.28Å; C468-V518 HydrophobicContact CB-CG2 3.97Å; C468-A521 HydrophobicContact CB-CB 4.43Å; C468-Y522 HydrophobicContact CB-CE2 4.45Å; C468-A527 HydrophobicContact CB-CB 4.05Å; C468-T528 PolarHBondContact O-N 2.85Å; C468-V529 PolarHBondContact O-N 3.12Å; C468-V529 VanDerWaalsContact O-N 3.11Å |
| 469 | G | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 4% | 0.041 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 47.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V465 R471 T528 | V465-G469 WeakPolarHBondContact O-CA 3.32Å; V465-G469 PolarHBondContact O-N 3.19Å; G469-R471 PolarHBondContact O-N 3.14Å; G469-T528 WeakPolarHBondContact CA-OG1 3.46Å; G469-T528 WeakPolarHBondContact O-CB 3.38Å; G469-T528 WeakPolarHBondContact O-CG2 3.38Å; G469-T528 PolarHBondContact O-N 2.94Å; G469-T528 PolarHBondContact O-OG1 3.25Å |
| 470 | L | 98 | Very high | 98.3 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | trans | -67.2 | 129.7 | 177.6 | -164.2 | 72.3 | 0 | 0 | 0 | 109.6 | C264 V465 H472 I477 A521 T526 | C264-L470 PolarHBondContact SG-O 3.26Å; C264-L470 VanDerWaalsContact SG-O 3.33Å; V465-L470 HydrophobicContact CB-CB 4.41Å; V465-L470 HydrophobicContact CG1-CB 4.19Å; V465-L470 HydrophobicContact CG2-CB 4.36Å; V465-L470 HydrophobicContact CG2-CD2 4.07Å; V465-L470 PolarHBondContact O-N 2.99Å; L470-H472 WeakPolarHBondContact CD2-O 3.47Å; L470-H472 WeakPolarHBondContact CG-O 3.36Å; L470-I477 HydrophobicContact CD2-CD1 4.09Å; L470-I477 HydrophobicContact CD2-CG1 4.21Å; L470-A521 HydrophobicContact CD1-CB 3.84Å; L470-T526 WeakPolarHBondContact CD1-OG1 3.44Å | ||
| 471 | R | 95.3 | Very high | 98.3 | Very high | 132 Ų | 132 | 21.2 Ų | 21.2 | 50% | 0.498 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -81.2 | -31.8 | -175 | -69 | -180 | 59.8 | -159.9 | -4.8 | 114.6 | Y263 C264 G469 T528 | Y263-R471 CarbonylContact C-O 3.55Å; C264-R471 VanDerWaalsContact CA-O 3.22Å; C264-R471 WeakPolarHBondContact CA-O 3.41Å; C264-R471 WeakPolarHBondContact CB-O 3.34Å; C264-R471 PolarHBondContact N-O 2.71Å; G469-R471 PolarHBondContact O-N 3.14Å; R471-T528 HydrophobicContact CG-CG2 3.65Å |
| 472 | H | 96.9 | Very high | 98.3 | Very high | 55 Ų | 55 | 21.2 Ų | 21.2 | 26% | 0.255 | 10% | 0.102 | S | C | . | . | trans | -140.9 | 141.4 | -177.3 | -56.5 | -61.7 | 0 | 0 | 0 | 109.9 | N261 Y263 L470 | N261-H472 PolarHBondContact O-CE1 3.22Å; Y263-H472 PolarHBondContact O-ND1 3.14Å; L470-H472 WeakPolarHBondContact CD2-O 3.47Å; L470-H472 WeakPolarHBondContact CG-O 3.36Å | ||
| 473 | I | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | trans | -104.8 | 103.2 | -177.4 | -51.6 | 172.5 | 0 | 0 | 0 | 108.4 | L241 F266 V465 I477 F478 | L241-I473 HydrophobicContact CD1-CD1 3.57Å; F266-I473 HydrophobicContact CB-CD1 4.11Å; F266-I473 HydrophobicContact CD1-CD1 3.53Å; F266-I473 HydrophobicContact CE1-CD1 4.33Å; F266-I473 HydrophobicContact CG-CD1 4.2Å; V465-I473 HydrophobicContact CG1-CD1 4.27Å; V465-I473 HydrophobicContact CG1-CG1 4.46Å; V465-I473 HydrophobicContact CG2-CD1 3.99Å; V465-I473 HydrophobicContact CG2-CG1 3.98Å; I473-I477 HydrophobicContact CG2-CB 4.18Å; I473-I477 HydrophobicContact CG2-CG1 4.4Å; I473-I477 HydrophobicContact CG2-CG2 4.21Å; I473-F478 HydrophobicContact CG2-CD2 4.35Å; I473-F478 HydrophobicContact CG2-CE2 3.45Å; I473-F478 VanDerWaalsContact CG2-CE2 3.45Å; I473-F478 HydrophobicContact CG2-CZ 3.76Å | ||
| 474 | T | 97.5 | Very high | 98.3 | Very high | 71 Ų | 71 | 24.9 Ų | 24.9 | 44% | 0.436 | 12% | 0.12 | S | C | . | . | trans | -84.1 | 159.5 | -179.7 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | K476 I477 | T474-K476 PolarHBondContact O-N 3.4Å; T474-K476 VanDerWaalsContact O-N 3.13Å; T474-I477 WeakPolarHBondContact O-CB 3.5Å; T474-I477 PolarHBondContact O-N 3.27Å | ||
| 475 | D | 97.1 | Very high | 98.3 | Very high | 23 Ų | 23 | 24.9 Ų | 24.9 | 12% | 0.123 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -22.7 | 177.1 | -64.3 | -31.1 | 0 | 0 | 0 | 112.6 | R260 Q271 H311 L312 M315 I477 F478 L479 | R260-D475 IonicContact CZ-OD1 2.55Å; R260-D475 IonicContact CZ-OD2 3.93Å; R260-D475 IonicContact NH1-OD2 2.98Å; R260-D475 IonicContact NH2-OD1 3.87Å; R260-D475 PolarHBondContact NH2-OD1 2.89Å; R260-D475 IonicContact NH2-OD2 2.85Å; R260-D475 PolarHBondContact NH2-OD2 2.88Å; Q271-D475 PolarHBondContact NE2-OD1 2.65Å; H311-D475 IonicContact CD2-OD2 3.72Å; H311-D475 IonicContact CE1-OD2 2.6Å; H311-D475 IonicContact NE2-OD2 2.74Å; H311-D475 PolarHBondContact NE2-OD2 3.41Å; L312-D475 HydrophobicContact CD1-CB 4.44Å; M315-D475 HydrophobicContact CE-CB 3.74Å; M315-D475 HydrophobicContact SD-CB 3.43Å; M315-D475 WeakPolarHBondContact SD-CB 3.24Å; D475-I477 VanDerWaalsContact C-N 3.25Å; D475-I477 PolarHBondContact O-N 3.2Å; D475-F478 PolarHBondContact O-N 3.12Å; D475-F478 VanDerWaalsContact O-N 3.13Å; D475-L479 PolarHBondContact O-N 3.24Å |
| 476 | K | 97.8 | Very high | 98.3 | Very high | 90 Ų | 90 | 25.3 Ų | 25.3 | 39% | 0.391 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -60.4 | -33.7 | 172.5 | -175.8 | -178.7 | 173.2 | -172 | 0 | 112.5 | T474 F478 L479 T480 E524 | T474-K476 PolarHBondContact O-N 3.4Å; T474-K476 VanDerWaalsContact O-N 3.13Å; K476-F478 VanDerWaalsContact C-N 3.31Å; K476-L479 PolarHBondContact O-N 2.89Å; K476-T480 VanDerWaalsContact O-CB 3.29Å; K476-T480 WeakPolarHBondContact O-CB 3.49Å; K476-T480 PolarHBondContact O-N 2.83Å; K476-T480 PolarHBondContact O-OG1 3.03Å; K476-E524 IonicContact NZ-OE1 2.92Å; K476-E524 PolarHBondContact NZ-OE1 3.37Å; K476-E524 IonicContact NZ-OE2 3.05Å; K476-E524 PolarHBondContact NZ-OE2 3.5Å |
| 477 | I | 98.6 | Very high | 98.2 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 10% | 0.097 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.4 | -62.7 | -63.4 | 0 | 0 | 0 | 110.1 | V461 L470 I473 T474 D475 T480 T481 I517 | V461-I477 HydrophobicContact CG1-CG2 4.26Å; V461-I477 HydrophobicContact CG2-CG2 4.46Å; L470-I477 HydrophobicContact CD2-CD1 4.09Å; L470-I477 HydrophobicContact CD2-CG1 4.21Å; I473-I477 HydrophobicContact CG2-CB 4.18Å; I473-I477 HydrophobicContact CG2-CG1 4.4Å; I473-I477 HydrophobicContact CG2-CG2 4.21Å; T474-I477 WeakPolarHBondContact O-CB 3.5Å; T474-I477 PolarHBondContact O-N 3.27Å; D475-I477 VanDerWaalsContact C-N 3.25Å; D475-I477 PolarHBondContact O-N 3.2Å; I477-T480 PolarHBondContact O-N 3.5Å; I477-T481 VanDerWaalsContact O-CB 3.28Å; I477-T481 WeakPolarHBondContact O-CB 3.4Å; I477-T481 PolarHBondContact O-N 3.13Å; I477-T481 PolarHBondContact O-OG1 3.37Å; I477-I517 HydrophobicContact CD1-CG1 4.43Å; I477-I517 HydrophobicContact CD1-CG2 4.34Å; I477-I517 HydrophobicContact CG2-CD1 3.77Å; I477-I517 HydrophobicContact CG2-CG1 4.06Å |
| 478 | F | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.1 | -37.6 | -179.8 | -67.5 | -73.1 | 0 | 0 | 0 | 112.4 | F266 Q271 S275 L312 V457 V461 I473 D475 K476 T481 A482 | F266-F478 HydrophobicContact CB-CE2 4.22Å; F266-F478 HydrophobicContact CB-CZ 3.77Å; F266-F478 AromaticContact CD2-CE1 3.98Å; F266-F478 HydrophobicContact CD2-CE1 3.98Å; F266-F478 AromaticContact CD2-CZ 3.54Å; F266-F478 HydrophobicContact CD2-CZ 3.54Å; F266-F478 HydrophobicContact CE2-CE1 4.26Å; F266-F478 HydrophobicContact CE2-CZ 4.22Å; F266-F478 AromaticContact CG-CZ 3.77Å; F266-F478 HydrophobicContact CG-CZ 3.77Å; Q271-F478 HydrophobicContact CB-CD1 4.1Å; Q271-F478 HydrophobicContact CB-CD2 3.81Å; Q271-F478 HydrophobicContact CB-CE1 3.91Å; Q271-F478 HydrophobicContact CB-CE2 3.6Å; Q271-F478 HydrophobicContact CB-CG 4.05Å; Q271-F478 HydrophobicContact CB-CZ 3.67Å; Q271-F478 HydrophobicContact CG-CD2 4.37Å; Q271-F478 HydrophobicContact CG-CE2 4.13Å; Q271-F478 VanDerWaalsContact NE2-CE2 3.33Å; Q271-F478 WeakPolarHBondContact O-CD1 3.34Å; S275-F478 WeakPolarHBondContact CB-O 3.29Å; S275-F478 PolarHBondContact OG-O 2.96Å; L312-F478 HydrophobicContact CD1-CB 4.31Å; L312-F478 HydrophobicContact CD2-CB 4.23Å; V457-F478 HydrophobicContact CG1-CD1 4.04Å; V457-F478 HydrophobicContact CG1-CE1 4.24Å; V461-F478 HydrophobicContact CG1-CE1 4.36Å; V461-F478 HydrophobicContact CG1-CZ 4.5Å; V461-F478 HydrophobicContact CG2-CE1 4.36Å; I473-F478 HydrophobicContact CG2-CD2 4.35Å; I473-F478 HydrophobicContact CG2-CE2 3.45Å; I473-F478 VanDerWaalsContact CG2-CE2 3.45Å; I473-F478 HydrophobicContact CG2-CZ 3.76Å; D475-F478 PolarHBondContact O-N 3.12Å; D475-F478 VanDerWaalsContact O-N 3.13Å; K476-F478 VanDerWaalsContact C-N 3.31Å; F478-T481 PolarHBondContact O-N 2.99Å; F478-A482 WeakPolarHBondContact O-CB 3.36Å; F478-A482 PolarHBondContact O-N 3.27Å |
| 479 | L | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.9 | -45.2 | 172.9 | -180 | 57.4 | 0 | 0 | 0 | 111.5 | V278 L312 M315 A316 K319 D475 K476 T481 A482 E483 | V278-L479 HydrophobicContact CG1-CD1 4.17Å; L312-L479 HydrophobicContact CD1-CB 3.96Å; M315-L479 HydrophobicContact CB-CD2 4.44Å; A316-L479 HydrophobicContact CB-CD1 3.68Å; K319-L479 HydrophobicContact CB-CD2 4.44Å; K319-L479 HydrophobicContact CD-CD2 3.94Å; D475-L479 PolarHBondContact O-N 3.24Å; K476-L479 PolarHBondContact O-N 2.89Å; L479-T481 VanDerWaalsContact C-N 3.32Å; L479-T481 PolarHBondContact O-N 3.16Å; L479-A482 WeakPolarHBondContact O-CB 3.2Å; L479-A482 PolarHBondContact O-N 2.75Å; L479-A482 VanDerWaalsContact O-N 3.16Å; L479-E483 WeakPolarHBondContact O-CG 3.37Å; L479-E483 PolarHBondContact O-N 2.82Å |
| 480 | T | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | K476 I477 A482 E483 V484 K516 | K476-T480 VanDerWaalsContact O-CB 3.29Å; K476-T480 WeakPolarHBondContact O-CB 3.49Å; K476-T480 PolarHBondContact O-N 2.83Å; K476-T480 PolarHBondContact O-OG1 3.03Å; I477-T480 PolarHBondContact O-N 3.5Å; T480-A482 VanDerWaalsContact C-N 3.32Å; T480-A482 PolarHBondContact O-N 2.9Å; T480-E483 WeakPolarHBondContact O-CB 3.18Å; T480-E483 PolarHBondContact O-N 2.81Å; T480-V484 WeakPolarHBondContact O-CG2 3.49Å; T480-V484 PolarHBondContact O-N 2.94Å; T480-K516 HydrophobicContact CG2-CD 4.23Å; T480-K516 HydrophobicContact CG2-CG 3.53Å |
| 481 | T | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 172.5 | -62.4 | 0 | 0 | 0 | 0 | 111.4 | V457 V461 I477 F478 L479 E483 V484 I485 I513 | V457-T481 HydrophobicContact CB-CG2 4.44Å; V457-T481 HydrophobicContact CG1-CG2 3.97Å; V457-T481 HydrophobicContact CG2-CG2 4.4Å; V461-T481 HydrophobicContact CG2-CG2 4.07Å; I477-T481 VanDerWaalsContact O-CB 3.28Å; I477-T481 WeakPolarHBondContact O-CB 3.4Å; I477-T481 PolarHBondContact O-N 3.13Å; I477-T481 PolarHBondContact O-OG1 3.37Å; F478-T481 PolarHBondContact O-N 2.99Å; L479-T481 VanDerWaalsContact C-N 3.32Å; L479-T481 PolarHBondContact O-N 3.16Å; T481-E483 VanDerWaalsContact C-N 3.3Å; T481-E483 PolarHBondContact O-N 3.07Å; T481-V484 PolarHBondContact O-N 3.16Å; T481-I485 HydrophobicContact CG2-CD1 3.85Å; T481-I485 HydrophobicContact CG2-CG1 4.47Å; T481-I485 WeakPolarHBondContact O-CG1 3.37Å; T481-I485 PolarHBondContact O-N 2.93Å; T481-I513 HydrophobicContact CG2-CD1 3.77Å; T481-I513 HydrophobicContact CG2-CG1 4Å; T481-I513 HydrophobicContact CG2-CG2 3.82Å |
| 482 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | S275 V278 A279 L282 F478 L479 T480 I485 A486 | S275-A482 WeakPolarHBondContact O-CB 3.26Å; S275-A482 PolarHBondContact OG-N 3.09Å; V278-A482 HydrophobicContact CB-CB 4.09Å; V278-A482 HydrophobicContact CG1-CB 3.91Å; A279-A482 HydrophobicContact CB-CB 4.07Å; A279-A482 WeakPolarHBondContact CB-O 3.17Å; L282-A482 HydrophobicContact CD1-CB 4.43Å; F478-A482 WeakPolarHBondContact O-CB 3.36Å; F478-A482 PolarHBondContact O-N 3.27Å; L479-A482 WeakPolarHBondContact O-CB 3.2Å; L479-A482 PolarHBondContact O-N 2.75Å; L479-A482 VanDerWaalsContact O-N 3.16Å; T480-A482 VanDerWaalsContact C-N 3.32Å; T480-A482 PolarHBondContact O-N 2.9Å; A482-I485 PolarHBondContact O-N 3.43Å; A482-A486 WeakPolarHBondContact O-CB 3.33Å; A482-A486 PolarHBondContact O-N 3.49Å |
| 483 | E | 98.8 | Very high | 98.4 | Very high | 63 Ų | 63 | 40.3 Ų | 40.3 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.7 | -43.3 | 175.4 | -68.4 | 166.1 | 179.3 | 0 | 0 | 112.1 | L282 K319 L479 T480 T481 I485 A486 Q487 | L282-E483 HydrophobicContact CD1-CG 3.79Å; K319-E483 WeakPolarHBondContact CD-OE1 3.32Å; K319-E483 WeakPolarHBondContact CE-OE1 3.36Å; K319-E483 IonicContact NZ-OE1 2.68Å; K319-E483 PolarHBondContact NZ-OE1 3.11Å; K319-E483 IonicContact NZ-OE2 3.53Å; K319-E483 PolarHBondContact NZ-OE2 3.01Å; L479-E483 WeakPolarHBondContact O-CG 3.37Å; L479-E483 PolarHBondContact O-N 2.82Å; T480-E483 WeakPolarHBondContact O-CB 3.18Å; T480-E483 PolarHBondContact O-N 2.81Å; T481-E483 VanDerWaalsContact C-N 3.3Å; T481-E483 PolarHBondContact O-N 3.07Å; E483-I485 VanDerWaalsContact C-N 3.34Å; E483-I485 PolarHBondContact O-N 3.46Å; E483-A486 PolarHBondContact O-N 2.9Å; E483-Q487 WeakPolarHBondContact O-CB 3.27Å; E483-Q487 PolarHBondContact O-N 3.09Å |
| 484 | V | 98.9 | Very high | 98.4 | Very high | 20 Ų | 20 | 41 Ų | 41 | 12% | 0.121 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | T480 T481 Q487 Q488 K512 I513 K516 | T480-V484 WeakPolarHBondContact O-CG2 3.49Å; T480-V484 PolarHBondContact O-N 2.94Å; T481-V484 PolarHBondContact O-N 3.16Å; V484-Q487 PolarHBondContact O-N 2.68Å; V484-Q488 WeakPolarHBondContact O-CG 3.44Å; V484-Q488 PolarHBondContact O-N 2.91Å; V484-Q488 PolarHBondContact O-NE2 3.46Å; V484-K512 HydrophobicContact CG1-CB 3.95Å; V484-I513 HydrophobicContact CB-CG1 4.2Å; V484-I513 HydrophobicContact CG1-CG1 3.76Å; V484-K516 HydrophobicContact CG2-CB 3.92Å; V484-K516 HydrophobicContact CG2-CG 3.83Å |
| 485 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -50.1 | 177.3 | -65.3 | 161.5 | 0 | 0 | 0 | 110.1 | A279 V457 T481 A482 E483 Q487 Q488 Y500 P501 V509 I513 | A279-I485 HydrophobicContact CB-CB 3.84Å; A279-I485 HydrophobicContact CB-CD1 4.33Å; A279-I485 HydrophobicContact CB-CG2 3.79Å; V457-I485 HydrophobicContact CG2-CD1 3.78Å; T481-I485 HydrophobicContact CG2-CD1 3.85Å; T481-I485 HydrophobicContact CG2-CG1 4.47Å; T481-I485 WeakPolarHBondContact O-CG1 3.37Å; T481-I485 PolarHBondContact O-N 2.93Å; A482-I485 PolarHBondContact O-N 3.43Å; E483-I485 VanDerWaalsContact C-N 3.34Å; E483-I485 PolarHBondContact O-N 3.46Å; I485-Q487 PolarHBondContact O-N 3.29Å; I485-Q488 PolarHBondContact O-N 2.65Å; I485-Y500 HydrophobicContact CG2-CD1 4.29Å; I485-P501 HydrophobicContact CG2-CG 4.42Å; I485-V509 HydrophobicContact CG1-CG1 4.11Å; I485-I513 HydrophobicContact CD1-CD1 4.23Å; I485-I513 HydrophobicContact CG1-CD1 3.9Å |
| 486 | A | 98.7 | Very high | 98.4 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -34.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L282 R286 A482 E483 Q488 V489 | L282-A486 HydrophobicContact CB-CB 3.77Å; R286-A486 PolarHBondContact NH1-O 3.39Å; A482-A486 WeakPolarHBondContact O-CB 3.33Å; A482-A486 PolarHBondContact O-N 3.49Å; E483-A486 PolarHBondContact O-N 2.9Å; A486-Q488 VanDerWaalsContact C-N 3.27Å; A486-Q488 PolarHBondContact O-N 3.2Å; A486-V489 WeakPolarHBondContact O-CB 3.31Å; A486-V489 PolarHBondContact O-N 2.92Å |
| 487 | Q | 98.6 | Very high | 98.3 | Very high | 146 Ų | 146 | 41.5 Ų | 41.5 | 68% | 0.682 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -68 | -23.1 | 176.5 | -172.6 | 60 | 48.9 | 0 | 0 | 113.4 | E483 V484 I485 V489 | E483-Q487 WeakPolarHBondContact O-CB 3.27Å; E483-Q487 PolarHBondContact O-N 3.09Å; V484-Q487 PolarHBondContact O-N 2.68Å; I485-Q487 PolarHBondContact O-N 3.29Å; Q487-V489 VanDerWaalsContact C-N 3.29Å |
| 488 | Q | 98.4 | Very high | 98.3 | Very high | 55 Ų | 55 | 43.3 Ų | 43.3 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5.9 | 175.8 | -60.1 | -35.4 | -72 | 0 | 0 | 113 | V484 I485 A486 S490 P501 V509 K512 | V484-Q488 WeakPolarHBondContact O-CG 3.44Å; V484-Q488 PolarHBondContact O-N 2.91Å; V484-Q488 PolarHBondContact O-NE2 3.46Å; I485-Q488 PolarHBondContact O-N 2.65Å; A486-Q488 VanDerWaalsContact C-N 3.27Å; A486-Q488 PolarHBondContact O-N 3.2Å; Q488-S490 PolarHBondContact O-N 3.05Å; Q488-P501 HydrophobicContact CB-CB 4.3Å; Q488-P501 HydrophobicContact CB-CG 3.58Å; Q488-V509 HydrophobicContact CB-CG2 4.44Å; Q488-V509 HydrophobicContact CG-CG2 4.25Å; Q488-K512 HydrophobicContact CG-CD 4.07Å |
| 489 | V | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | trans | -82.4 | 113.1 | 176 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | A283 R286 A486 Q487 H493 L494 P501 | A283-V489 HydrophobicContact CB-CG2 4.35Å; R286-V489 VanDerWaalsContact CZ-O 3.29Å; R286-V489 PolarHBondContact NH1-O 3.29Å; R286-V489 PolarHBondContact NH2-O 2.88Å; A486-V489 WeakPolarHBondContact O-CB 3.31Å; A486-V489 PolarHBondContact O-N 2.92Å; Q487-V489 VanDerWaalsContact C-N 3.29Å; V489-H493 HydrophobicContact CG1-CB 3.7Å; V489-L494 HydrophobicContact CG1-CD2 3.59Å; V489-L494 HydrophobicContact CG1-CG 4Å; V489-P501 HydrophobicContact CG2-CG 4.22Å | ||
| 490 | S | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | trans | -72.2 | 159.5 | 175.8 | 71.5 | 0 | 0 | 0 | 0 | 111.6 | Q488 K492 H493 L494 | Q488-S490 PolarHBondContact O-N 3.05Å; S490-K492 PolarHBondContact O-N 3.05Å; S490-H493 PolarHBondContact N-ND1 3.42Å; S490-H493 WeakPolarHBondContact O-CB 3.38Å; S490-H493 PolarHBondContact O-N 2.92Å; S490-H493 PolarHBondContact OG-CD2 3.35Å; S490-H493 PolarHBondContact OG-N 3.24Å; S490-H493 VanDerWaalsContact OG-N 3.12Å; S490-H493 PolarHBondContact OG-ND1 3.09Å; S490-L494 PolarHBondContact O-N 3.07Å | ||
| 491 | D | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 42.8 Ų | 42.8 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61.1 | -34.2 | 174.5 | -64 | -33.8 | 0 | 0 | 0 | 111.7 | R286 H493 L494 E495 | R286-D491 IonicContact CZ-OD1 2.85Å; R286-D491 IonicContact NE-OD1 3.78Å; R286-D491 IonicContact NH2-OD1 3.83Å; R286-D491 PolarHBondContact NH2-OD1 3.04Å; D491-H493 VanDerWaalsContact C-N 3.31Å; D491-H493 PolarHBondContact O-N 3.37Å; D491-L494 WeakPolarHBondContact O-CB 3.13Å; D491-L494 PolarHBondContact O-N 3.35Å; D491-L494 VanDerWaalsContact O-N 3.07Å; D491-E495 WeakPolarHBondContact O-CG 3.48Å; D491-E495 PolarHBondContact O-N 3Å |
| 492 | K | 97.8 | Very high | 98 | Very high | 134 Ų | 134 | 44.2 Ų | 44.2 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -58.2 | -41.6 | 171.2 | -179.6 | -179.4 | 173.5 | -177.1 | 0 | 112.3 | S490 L494 E495 E496 | S490-K492 PolarHBondContact O-N 3.05Å; K492-L494 VanDerWaalsContact C-N 3.29Å; K492-L494 PolarHBondContact O-N 2.92Å; K492-E495 PolarHBondContact O-N 3.12Å; K492-E496 WeakPolarHBondContact CE-OE1 3.36Å; K492-E496 WeakPolarHBondContact O-CG 3.48Å; K492-E496 PolarHBondContact O-N 2.94Å |
| 493 | H | 98.1 | Very high | 97.6 | Very high | 38 Ų | 38 | 44.8 Ų | 44.8 | 18% | 0.176 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.4 | -63.7 | 159.6 | 0 | 0 | 0 | 111.1 | V489 S490 D491 E496 G497 R498 P502 | V489-H493 HydrophobicContact CG1-CB 3.7Å; S490-H493 PolarHBondContact N-ND1 3.42Å; S490-H493 WeakPolarHBondContact O-CB 3.38Å; S490-H493 PolarHBondContact O-N 2.92Å; S490-H493 PolarHBondContact OG-CD2 3.35Å; S490-H493 PolarHBondContact OG-N 3.24Å; S490-H493 VanDerWaalsContact OG-N 3.12Å; S490-H493 PolarHBondContact OG-ND1 3.09Å; D491-H493 VanDerWaalsContact C-N 3.31Å; D491-H493 PolarHBondContact O-N 3.37Å; H493-E496 CarbonylContact O-C 3.57Å; H493-E496 WeakPolarHBondContact O-CB 3.32Å; H493-E496 PolarHBondContact O-N 2.91Å; H493-G497 PolarHBondContact O-N 3.27Å; H493-R498 HydrophobicContact CB-CB 4.07Å; H493-R498 WeakPolarHBondContact O-CB 3.34Å; H493-R498 PolarHBondContact O-N 3.33Å; H493-P502 VanDerWaalsContact CE1-CD 3.45Å; H493-P502 WeakPolarHBondContact CE1-CD 3.2Å |
| 494 | L | 98.1 | Very high | 97.4 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 177.4 | -59.8 | 179.2 | 0 | 0 | 0 | 112.3 | A283 R286 I287 V489 S490 D491 K492 E496 G497 L499 | A283-L494 HydrophobicContact CB-CD2 4.28Å; R286-L494 HydrophobicContact CB-CD1 3.62Å; I287-L494 HydrophobicContact CD1-CB 4.23Å; I287-L494 HydrophobicContact CD1-CD2 4.06Å; I287-L494 HydrophobicContact CG1-CB 4.01Å; I287-L494 HydrophobicContact CG1-CD1 4.32Å; I287-L494 HydrophobicContact CG1-CD2 4.09Å; I287-L494 HydrophobicContact CG1-CG 4.37Å; V489-L494 HydrophobicContact CG1-CD2 3.59Å; V489-L494 HydrophobicContact CG1-CG 4Å; S490-L494 PolarHBondContact O-N 3.07Å; D491-L494 WeakPolarHBondContact O-CB 3.13Å; D491-L494 PolarHBondContact O-N 3.35Å; D491-L494 VanDerWaalsContact O-N 3.07Å; K492-L494 VanDerWaalsContact C-N 3.29Å; K492-L494 PolarHBondContact O-N 2.92Å; L494-E496 VanDerWaalsContact C-N 3.25Å; L494-E496 PolarHBondContact O-N 3.3Å; L494-G497 WeakPolarHBondContact O-CA 3.5Å; L494-G497 PolarHBondContact O-N 2.85Å; L494-L499 HydrophobicContact CD2-CD2 4.41Å |
| 495 | E | 97.2 | Very high | 97.3 | Very high | 139 Ų | 139 | 48.8 Ų | 48.8 | 65% | 0.65 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.2 | -33.5 | 174.1 | -70.9 | 170.9 | -178.5 | 0 | 0 | 112.3 | Q445 D491 K492 G497 | Q445-E495 PolarHBondContact NE2-O 3.44Å; D491-E495 WeakPolarHBondContact O-CG 3.48Å; D491-E495 PolarHBondContact O-N 3Å; K492-E495 PolarHBondContact O-N 3.12Å; E495-G497 PolarHBondContact O-N 3.17Å |
| 496 | E | 97.1 | Very high | 97.3 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.3 | 172 | -72.7 | 177.2 | -162.4 | 0 | 0 | 113.3 | L447 Y448 K492 H493 L494 R498 | L447-E496 CarbonylContact C-O 3.6Å; L447-E496 WeakPolarHBondContact CA-O 3.38Å; Y448-E496 HydrophobicContact CD2-CB 3.96Å; Y448-E496 HydrophobicContact CD2-CG 4.26Å; Y448-E496 HydrophobicContact CE2-CG 4.43Å; Y448-E496 PolarHBondContact N-O 2.99Å; K492-E496 WeakPolarHBondContact CE-OE1 3.36Å; K492-E496 WeakPolarHBondContact O-CG 3.48Å; K492-E496 PolarHBondContact O-N 2.94Å; H493-E496 CarbonylContact O-C 3.57Å; H493-E496 WeakPolarHBondContact O-CB 3.32Å; H493-E496 PolarHBondContact O-N 2.91Å; L494-E496 VanDerWaalsContact C-N 3.25Å; L494-E496 PolarHBondContact O-N 3.3Å; E496-R498 HydrophobicContact CB-CG 4.28Å; E496-R498 IonicContact OE2-CZ 3.53Å; E496-R498 IonicContact OE2-NE 3.96Å; E496-R498 PolarHBondContact OE2-NE 3.39Å; E496-R498 IonicContact OE2-NH2 2.7Å; E496-R498 PolarHBondContact OE2-NH2 3.2Å |
| 497 | G | 96.7 | Very high | 97.2 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 11 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H493 L494 E495 | H493-G497 PolarHBondContact O-N 3.27Å; L494-G497 WeakPolarHBondContact O-CA 3.5Å; L494-G497 PolarHBondContact O-N 2.85Å; E495-G497 PolarHBondContact O-N 3.17Å |
| 498 | R | 97.7 | Very high | 97.2 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | trans | -84.6 | 130.1 | 178.4 | -54.6 | 175 | -168.4 | -88.9 | 0.6 | 110.5 | Y448 H493 E496 | Y448-R498 VanDerWaalsContact CG-CZ 3.45Å; Y448-R498 VanDerWaalsContact O-CG 3.29Å; Y448-R498 WeakPolarHBondContact O-CG 3.27Å; H493-R498 HydrophobicContact CB-CB 4.07Å; H493-R498 WeakPolarHBondContact O-CB 3.34Å; H493-R498 PolarHBondContact O-N 3.33Å; E496-R498 HydrophobicContact CB-CG 4.28Å; E496-R498 IonicContact OE2-CZ 3.53Å; E496-R498 IonicContact OE2-NE 3.96Å; E496-R498 PolarHBondContact OE2-NE 3.39Å; E496-R498 IonicContact OE2-NH2 2.7Å; E496-R498 PolarHBondContact OE2-NH2 3.2Å | ||
| 499 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -98.6 | -5.1 | 173.5 | -68.5 | -176.5 | 0 | 0 | 0 | 114.6 | A283 A284 I287 F404 I429 A431 L494 | A283-L499 HydrophobicContact CB-CB 4.39Å; A283-L499 HydrophobicContact CB-CD2 4.03Å; A283-L499 VanDerWaalsContact CB-O 3.31Å; A283-L499 WeakPolarHBondContact CB-O 3.29Å; A284-L499 HydrophobicContact CB-CD1 4.31Å; A284-L499 HydrophobicContact CB-CD2 3.94Å; I287-L499 HydrophobicContact CD1-CD2 3.99Å; F404-L499 HydrophobicContact CD1-CD1 4.49Å; F404-L499 HydrophobicContact CE1-CD1 3.34Å; F404-L499 HydrophobicContact CZ-CD1 3.64Å; I429-L499 HydrophobicContact CG2-CD1 3.62Å; I429-L499 HydrophobicContact CG2-CD2 3.64Å; I429-L499 HydrophobicContact CG2-CG 3.91Å; A431-L499 HydrophobicContact CB-CD1 4.08Å; L494-L499 HydrophobicContact CD2-CD2 4.41Å |
| 500 | Y | 98.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -131.3 | 155.8 | -178 | -57.9 | -78.1 | 0 | 0 | 0 | 109.7 | V276 A279 G280 A431 Q451 G452 Y456 I485 | V276-Y500 HydrophobicContact CG2-CD1 4.22Å; V276-Y500 HydrophobicContact CG2-CE1 3.6Å; V276-Y500 VanDerWaalsContact O-CE1 3.3Å; V276-Y500 WeakPolarHBondContact O-CE1 3.29Å; V276-Y500 PolarHBondContact O-OH 3.36Å; A279-Y500 HydrophobicContact CB-CE1 4.32Å; G280-Y500 WeakPolarHBondContact CA-OH 3.13Å; A431-Y500 HydrophobicContact CB-CE2 3.82Å; Q451-Y500 WeakPolarHBondContact O-CD2 3.04Å; G452-Y500 VanDerWaalsContact CA-CE2 3.49Å; G452-Y500 VanDerWaalsContact CA-CZ 3.47Å; Y456-Y500 HydrophobicContact CE2-CG 4.44Å; I485-Y500 HydrophobicContact CG2-CD1 4.29Å |
| 501 | P | 97.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -58.7 | 156.9 | 171.3 | -22 | 35.3 | 0 | 0 | 0 | 111 | Y456 I485 Q488 V489 V509 | Y456-P501 HydrophobicContact CE1-CB 4.38Å; Y456-P501 PolarHBondContact OH-O 2.69Å; I485-P501 HydrophobicContact CG2-CG 4.42Å; Q488-P501 HydrophobicContact CB-CB 4.3Å; Q488-P501 HydrophobicContact CB-CG 3.58Å; V489-P501 HydrophobicContact CG2-CG 4.22Å; P501-V509 HydrophobicContact CB-CG2 3.97Å; P501-V509 HydrophobicContact CG-CG2 4.02Å | ||
| 502 | P | 95.1 | Very high | 97.3 | Very high | 32 Ų | 32 | 41.2 Ų | 41.2 | 21% | 0.208 | 20% | 0.201 | C | C | . | . | trans | -61.2 | 141.4 | 172.2 | -24.4 | 35.3 | 0 | 0 | 0 | 112.1 | H493 N504 T505 | H493-P502 VanDerWaalsContact CE1-CD 3.45Å; H493-P502 WeakPolarHBondContact CE1-CD 3.2Å; P502-N504 VanDerWaalsContact C-N 3.25Å; P502-N504 WeakPolarHBondContact CB-OD1 3.44Å; P502-N504 PolarHBondContact O-N 3.21Å; P502-T505 HydrophobicContact CB-CG2 4.48Å; P502-T505 WeakPolarHBondContact O-CB 3.5Å; P502-T505 PolarHBondContact O-N 3.03Å; P502-T505 PolarHBondContact O-OG1 3.44Å | ||
| 503 | L | 91.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 34.9 Ų | 34.9 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -59.5 | -33.1 | -176.4 | -81.6 | 171.2 | 0 | 0 | 0 | 113.2 | V94 E95 M98 Y456 T505 I506 | V94-L503 HydrophobicContact CG1-CB 4.49Å; V94-L503 VanDerWaalsContact CG1-O 3.31Å; V94-L503 WeakPolarHBondContact CG1-O 3.37Å; E95-L503 HydrophobicContact CB-CB 4.46Å; E95-L503 HydrophobicContact CG-CD1 4.17Å; M98-L503 HydrophobicContact CE-CD1 3.72Å; M98-L503 HydrophobicContact CE-CD2 3.75Å; M98-L503 HydrophobicContact CE-CG 4.41Å; M98-L503 HydrophobicContact SD-CD2 4.3Å; Y456-L503 HydrophobicContact CE2-CD2 4.07Å; Y456-L503 VanDerWaalsContact OH-CD2 3.26Å; Y456-L503 WeakPolarHBondContact OH-CD2 3.46Å; Y456-L503 WeakPolarHBondContact OH-CG 3.36Å; L503-T505 PolarHBondContact O-N 3.4Å; L503-T505 VanDerWaalsContact O-N 3.08Å; L503-I506 WeakPolarHBondContact O-CB 3.27Å; L503-I506 VanDerWaalsContact O-CG2 3.24Å; L503-I506 WeakPolarHBondContact O-CG2 3.43Å; L503-I506 PolarHBondContact O-N 2.65Å |
| 504 | N | 94.1 | Very high | 97.4 | Very high | 115 Ų | 115 | 33.1 Ų | 33.1 | 62% | 0.615 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -61.8 | -16.3 | 175.9 | 65 | 8.4 | 0 | 0 | 0 | 113.9 | P502 | P502-N504 VanDerWaalsContact C-N 3.25Å; P502-N504 WeakPolarHBondContact CB-OD1 3.44Å; P502-N504 PolarHBondContact O-N 3.21Å |
| 505 | T | 97 | Very high | 97.5 | Very high | 51 Ų | 51 | 33.9 Ų | 33.9 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -92.1 | 0.4 | 175.2 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | P502 L503 R507 D508 V509 | P502-T505 HydrophobicContact CB-CG2 4.48Å; P502-T505 WeakPolarHBondContact O-CB 3.5Å; P502-T505 PolarHBondContact O-N 3.03Å; P502-T505 PolarHBondContact O-OG1 3.44Å; L503-T505 PolarHBondContact O-N 3.4Å; L503-T505 VanDerWaalsContact O-N 3.08Å; T505-R507 PolarHBondContact O-N 3.39Å; T505-D508 WeakPolarHBondContact O-CB 3.43Å; T505-D508 PolarHBondContact O-N 3.42Å; T505-V509 PolarHBondContact O-N 2.76Å |
| 506 | I | 97.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.4 | -31.9 | -170 | -163.7 | 66.6 | 0 | 0 | 0 | 114.5 | V94 C180 S455 Y456 L503 S510 | V94-I506 HydrophobicContact CG1-CG2 4.34Å; V94-I506 HydrophobicContact CG2-CG2 4.23Å; C180-I506 HydrophobicContact CB-CG1 3.86Å; C180-I506 HydrophobicContact CB-CG2 3.98Å; S455-I506 WeakPolarHBondContact O-CD1 3.45Å; Y456-I506 HydrophobicContact CD1-CD1 3.13Å; Y456-I506 HydrophobicContact CE1-CD1 3.4Å; Y456-I506 HydrophobicContact CG-CD1 3.76Å; L503-I506 WeakPolarHBondContact O-CB 3.27Å; L503-I506 VanDerWaalsContact O-CG2 3.24Å; L503-I506 WeakPolarHBondContact O-CG2 3.43Å; L503-I506 PolarHBondContact O-N 2.65Å; I506-S510 WeakPolarHBondContact O-CB 3.45Å; I506-S510 PolarHBondContact O-N 3.27Å; I506-S510 PolarHBondContact O-OG 3.22Å |
| 507 | R | 98.3 | Very high | 97.6 | Very high | 68 Ų | 68 | 29 Ų | 29 | 26% | 0.257 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -69.1 | -37.6 | 176.3 | -70.3 | -174.4 | 68.8 | 85.5 | -4.5 | 112.7 | T178 A179 C180 T505 L511 Y545 | T178-R507 PolarHBondContact O-NH1 2.85Å; A179-R507 VanDerWaalsContact O-CD 3.29Å; A179-R507 WeakPolarHBondContact O-CD 3.45Å; A179-R507 VanDerWaalsContact O-CG 3.26Å; A179-R507 WeakPolarHBondContact O-CG 3.35Å; A179-R507 PolarHBondContact O-NH1 3.13Å; C180-R507 VanDerWaalsContact O-CA 3.29Å; C180-R507 WeakPolarHBondContact O-CA 3.4Å; C180-R507 WeakPolarHBondContact O-CG 3.42Å; T505-R507 PolarHBondContact O-N 3.39Å; R507-L511 PolarHBondContact O-N 3.07Å; R507-Y545 PolarHBondContact NH2-O 2.97Å; R507-Y545 VanDerWaalsContact NH2-O 3.12Å |
| 508 | D | 98.5 | Very high | 97.7 | Very high | 67 Ų | 67 | 28.4 Ų | 28.4 | 36% | 0.358 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -72.5 | -40.1 | 175.6 | -172.1 | 64.8 | 0 | 0 | 0 | 111 | T505 S510 L511 K512 | T505-D508 WeakPolarHBondContact O-CB 3.43Å; T505-D508 PolarHBondContact O-N 3.42Å; D508-S510 VanDerWaalsContact C-N 3.34Å; D508-S510 PolarHBondContact O-N 3.41Å; D508-L511 WeakPolarHBondContact O-CB 3.09Å; D508-L511 PolarHBondContact O-N 2.73Å; D508-K512 WeakPolarHBondContact O-CG 3.22Å; D508-K512 PolarHBondContact O-N 3.32Å; D508-K512 WeakPolarHBondContact OD2-CE 3.35Å |
| 509 | V | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | 171.5 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | Y456 I485 Q488 P501 T505 L511 K512 I513 | Y456-V509 HydrophobicContact CD1-CG1 4.41Å; I485-V509 HydrophobicContact CG1-CG1 4.11Å; Q488-V509 HydrophobicContact CB-CG2 4.44Å; Q488-V509 HydrophobicContact CG-CG2 4.25Å; P501-V509 HydrophobicContact CB-CG2 3.97Å; P501-V509 HydrophobicContact CG-CG2 4.02Å; T505-V509 PolarHBondContact O-N 2.76Å; V509-L511 VanDerWaalsContact C-N 3.32Å; V509-L511 PolarHBondContact O-N 3.42Å; V509-K512 PolarHBondContact O-N 2.87Å; V509-I513 HydrophobicContact CG1-CD1 3.84Å; V509-I513 HydrophobicContact CG1-CG1 4.48Å; V509-I513 VanDerWaalsContact O-CG1 3.31Å; V509-I513 WeakPolarHBondContact O-CG1 3.34Å; V509-I513 PolarHBondContact O-N 3.48Å |
| 510 | S | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -39.8 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 112.6 | C180 G460 I506 D508 I513 A514 | C180-S510 WeakPolarHBondContact O-CB 3.44Å; C180-S510 PolarHBondContact O-OG 3.31Å; C180-S510 VanDerWaalsContact O-OG 3.11Å; G460-S510 WeakPolarHBondContact CA-O 3.38Å; I506-S510 WeakPolarHBondContact O-CB 3.45Å; I506-S510 PolarHBondContact O-N 3.27Å; I506-S510 PolarHBondContact O-OG 3.22Å; D508-S510 VanDerWaalsContact C-N 3.34Å; D508-S510 PolarHBondContact O-N 3.41Å; S510-I513 PolarHBondContact O-N 2.89Å; S510-A514 WeakPolarHBondContact O-CB 3.31Å; S510-A514 PolarHBondContact O-N 2.66Å |
| 511 | L | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.3 | -47.6 | 173.9 | 170.2 | 65.5 | 0 | 0 | 0 | 111.7 | R507 D508 V509 I513 A514 E515 E537 V540 R541 M544 | R507-L511 PolarHBondContact O-N 3.07Å; D508-L511 WeakPolarHBondContact O-CB 3.09Å; D508-L511 PolarHBondContact O-N 2.73Å; V509-L511 VanDerWaalsContact C-N 3.32Å; V509-L511 PolarHBondContact O-N 3.42Å; L511-I513 VanDerWaalsContact C-N 3.32Å; L511-I513 PolarHBondContact O-N 3.46Å; L511-A514 PolarHBondContact O-N 3Å; L511-E515 WeakPolarHBondContact O-CB 3.29Å; L511-E515 PolarHBondContact O-N 2.91Å; L511-E537 HydrophobicContact CD1-CG 4.47Å; L511-E537 HydrophobicContact CD2-CG 4.38Å; L511-V540 HydrophobicContact CD1-CB 3.87Å; L511-V540 HydrophobicContact CD1-CG1 3.49Å; L511-V540 VanDerWaalsContact CD1-CG1 3.49Å; L511-R541 HydrophobicContact CD1-CG 3.88Å; L511-R541 HydrophobicContact CD2-CG 3.89Å; L511-M544 HydrophobicContact CB-SD 4.3Å; L511-M544 HydrophobicContact CD1-SD 4.05Å |
| 512 | K | 98.9 | Very high | 97.9 | Very high | 67 Ų | 67 | 31.3 Ų | 31.3 | 29% | 0.291 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.7 | -37.2 | -179.5 | -70.3 | 174.3 | -173.5 | -78.1 | 0 | 112.2 | V484 Q488 D508 V509 K516 | V484-K512 HydrophobicContact CG1-CB 3.95Å; Q488-K512 HydrophobicContact CG-CD 4.07Å; D508-K512 WeakPolarHBondContact O-CG 3.22Å; D508-K512 PolarHBondContact O-N 3.32Å; D508-K512 WeakPolarHBondContact OD2-CE 3.35Å; V509-K512 PolarHBondContact O-N 2.87Å; K512-K516 WeakPolarHBondContact O-CB 3.37Å; K512-K516 PolarHBondContact O-N 3.3Å |
| 513 | I | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -52.7 | 172.6 | -68 | 163.9 | 0 | 0 | 0 | 109.6 | Y456 V461 T481 V484 I485 V509 S510 L511 E515 K516 I517 | Y456-I513 WeakPolarHBondContact O-CD1 3.47Å; V461-I513 HydrophobicContact CG2-CG2 4.27Å; T481-I513 HydrophobicContact CG2-CD1 3.77Å; T481-I513 HydrophobicContact CG2-CG1 4Å; T481-I513 HydrophobicContact CG2-CG2 3.82Å; V484-I513 HydrophobicContact CB-CG1 4.2Å; V484-I513 HydrophobicContact CG1-CG1 3.76Å; I485-I513 HydrophobicContact CD1-CD1 4.23Å; I485-I513 HydrophobicContact CG1-CD1 3.9Å; V509-I513 HydrophobicContact CG1-CD1 3.84Å; V509-I513 HydrophobicContact CG1-CG1 4.48Å; V509-I513 VanDerWaalsContact O-CG1 3.31Å; V509-I513 WeakPolarHBondContact O-CG1 3.34Å; V509-I513 PolarHBondContact O-N 3.48Å; S510-I513 PolarHBondContact O-N 2.89Å; L511-I513 VanDerWaalsContact C-N 3.32Å; L511-I513 PolarHBondContact O-N 3.46Å; I513-E515 PolarHBondContact O-N 3.37Å; I513-K516 PolarHBondContact O-N 3.12Å; I513-I517 HydrophobicContact CG2-CD1 3.8Å; I513-I517 WeakPolarHBondContact O-CG1 3.38Å; I513-I517 PolarHBondContact O-N 2.83Å |
| 514 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -45.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L463 S510 L511 K516 I517 V518 V540 | L463-A514 HydrophobicContact CB-CB 3.96Å; L463-A514 HydrophobicContact CD2-CB 3.58Å; L463-A514 HydrophobicContact CG-CB 3.72Å; S510-A514 WeakPolarHBondContact O-CB 3.31Å; S510-A514 PolarHBondContact O-N 2.66Å; L511-A514 PolarHBondContact O-N 3Å; A514-K516 VanDerWaalsContact C-N 3.3Å; A514-K516 PolarHBondContact O-N 3.43Å; A514-I517 PolarHBondContact O-N 2.8Å; A514-V518 VanDerWaalsContact O-CG2 3.27Å; A514-V518 WeakPolarHBondContact O-CG2 3.48Å; A514-V518 PolarHBondContact O-N 3.42Å; A514-V540 HydrophobicContact CB-CG1 3.85Å; A514-V540 HydrophobicContact CB-CG2 4.48Å |
| 515 | E | 98.8 | Very high | 98.5 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 16% | 0.159 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.5 | -44.6 | 176.1 | -174.1 | -168.8 | 170.2 | 0 | 0 | 111.5 | L511 I513 V518 K519 K536 E537 | L511-E515 WeakPolarHBondContact O-CB 3.29Å; L511-E515 PolarHBondContact O-N 2.91Å; I513-E515 PolarHBondContact O-N 3.37Å; E515-V518 PolarHBondContact O-N 2.88Å; E515-K519 HydrophobicContact CG-CD 4.36Å; E515-K519 WeakPolarHBondContact O-CB 3.41Å; E515-K519 WeakPolarHBondContact O-CG 3.49Å; E515-K519 PolarHBondContact O-N 3.07Å; E515-K519 WeakPolarHBondContact OE1-CE 3.37Å; E515-K519 IonicContact OE1-NZ 2.65Å; E515-K519 PolarHBondContact OE1-NZ 3.38Å; E515-K536 HydrophobicContact CG-CB 4.48Å; E515-E537 HydrophobicContact CG-CB 4.27Å |
| 516 | K | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.2 | -45 | 178 | -177.4 | 54.5 | 173.9 | 154.2 | 0 | 111.7 | T480 V484 K512 I513 A514 V518 K519 D520 | T480-K516 HydrophobicContact CG2-CD 4.23Å; T480-K516 HydrophobicContact CG2-CG 3.53Å; V484-K516 HydrophobicContact CG2-CB 3.92Å; V484-K516 HydrophobicContact CG2-CG 3.83Å; K512-K516 WeakPolarHBondContact O-CB 3.37Å; K512-K516 PolarHBondContact O-N 3.3Å; I513-K516 PolarHBondContact O-N 3.12Å; A514-K516 VanDerWaalsContact C-N 3.3Å; A514-K516 PolarHBondContact O-N 3.43Å; K516-V518 PolarHBondContact O-N 2.85Å; K516-K519 PolarHBondContact O-N 2.89Å; K516-D520 WeakPolarHBondContact CE-OD2 3.49Å; K516-D520 VanDerWaalsContact NZ-CG 3.29Å; K516-D520 IonicContact NZ-OD1 3.63Å; K516-D520 PolarHBondContact NZ-OD1 3.34Å; K516-D520 IonicContact NZ-OD2 3.73Å; K516-D520 PolarHBondContact NZ-OD2 3.44Å; K516-D520 WeakPolarHBondContact O-CB 3.42Å; K516-D520 VanDerWaalsContact O-CG 3.29Å; K516-D520 PolarHBondContact O-N 3.01Å |
| 517 | I | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 175.3 | -67.7 | 169.6 | 0 | 0 | 0 | 110.7 | V461 I477 I513 A514 K519 D520 A521 | V461-I517 HydrophobicContact CB-CD1 4.37Å; V461-I517 HydrophobicContact CG2-CD1 4.23Å; I477-I517 HydrophobicContact CD1-CG1 4.43Å; I477-I517 HydrophobicContact CD1-CG2 4.34Å; I477-I517 HydrophobicContact CG2-CD1 3.77Å; I477-I517 HydrophobicContact CG2-CG1 4.06Å; I513-I517 HydrophobicContact CG2-CD1 3.8Å; I513-I517 WeakPolarHBondContact O-CG1 3.38Å; I513-I517 PolarHBondContact O-N 2.83Å; A514-I517 PolarHBondContact O-N 2.8Å; I517-K519 PolarHBondContact O-N 3.15Å; I517-D520 PolarHBondContact O-N 2.77Å; I517-A521 WeakPolarHBondContact O-CB 3.39Å; I517-A521 PolarHBondContact O-N 3.43Å |
| 518 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 179.2 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | A467 C468 A514 E515 K516 A521 Y522 K536 F539 V540 | A467-V518 HydrophobicContact CB-CG2 4.19Å; C468-V518 HydrophobicContact CB-CB 4.41Å; C468-V518 HydrophobicContact CB-CG1 4.28Å; C468-V518 HydrophobicContact CB-CG2 3.97Å; A514-V518 VanDerWaalsContact O-CG2 3.27Å; A514-V518 WeakPolarHBondContact O-CG2 3.48Å; A514-V518 PolarHBondContact O-N 3.42Å; E515-V518 PolarHBondContact O-N 2.88Å; K516-V518 PolarHBondContact O-N 2.85Å; V518-A521 PolarHBondContact O-N 3.4Å; V518-Y522 HydrophobicContact CG1-CD2 3.84Å; V518-Y522 HydrophobicContact CG1-CE2 3.6Å; V518-Y522 WeakPolarHBondContact O-CD2 3.39Å; V518-Y522 PolarHBondContact O-N 3.2Å; V518-K536 HydrophobicContact CG1-CB 4.25Å; V518-K536 HydrophobicContact CG1-CG 3.79Å; V518-F539 HydrophobicContact CG1-CD1 4.41Å; V518-F539 HydrophobicContact CG1-CE1 4.48Å; V518-V540 HydrophobicContact CG2-CG2 3.83Å |
| 519 | K | 98.8 | Very high | 98.6 | Very high | 95 Ų | 95 | 42.8 Ų | 42.8 | 41% | 0.413 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.1 | -51.7 | 177.4 | -76.4 | 175.1 | -178.1 | 171.9 | 0 | 111.7 | E515 K516 I517 A521 Y522 Q523 K536 | E515-K519 HydrophobicContact CG-CD 4.36Å; E515-K519 WeakPolarHBondContact O-CB 3.41Å; E515-K519 WeakPolarHBondContact O-CG 3.49Å; E515-K519 PolarHBondContact O-N 3.07Å; E515-K519 WeakPolarHBondContact OE1-CE 3.37Å; E515-K519 IonicContact OE1-NZ 2.65Å; E515-K519 PolarHBondContact OE1-NZ 3.38Å; K516-K519 PolarHBondContact O-N 2.89Å; I517-K519 PolarHBondContact O-N 3.15Å; K519-A521 VanDerWaalsContact C-N 3.31Å; K519-A521 PolarHBondContact O-N 2.92Å; K519-Y522 PolarHBondContact O-N 3.25Å; K519-Q523 PolarHBondContact O-N 2.94Å; K519-Q523 VanDerWaalsContact O-N 3.07Å; K519-K536 HydrophobicContact CG-CB 4.14Å; K519-K536 HydrophobicContact CG-CG 4.03Å |
| 520 | D | 98.5 | Very high | 98.5 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | -176.4 | -66.1 | -7.6 | 0 | 0 | 0 | 111 | K516 I517 Y522 Q523 E524 | K516-D520 WeakPolarHBondContact CE-OD2 3.49Å; K516-D520 VanDerWaalsContact NZ-CG 3.29Å; K516-D520 IonicContact NZ-OD1 3.63Å; K516-D520 PolarHBondContact NZ-OD1 3.34Å; K516-D520 IonicContact NZ-OD2 3.73Å; K516-D520 PolarHBondContact NZ-OD2 3.44Å; K516-D520 WeakPolarHBondContact O-CB 3.42Å; K516-D520 VanDerWaalsContact O-CG 3.29Å; K516-D520 PolarHBondContact O-N 3.01Å; I517-D520 PolarHBondContact O-N 2.77Å; D520-Y522 PolarHBondContact O-N 3.24Å; D520-Q523 PolarHBondContact O-N 3.07Å; D520-E524 WeakPolarHBondContact O-CB 3.32Å; D520-E524 WeakPolarHBondContact O-CG 3.46Å; D520-E524 PolarHBondContact O-N 3.25Å |
| 521 | A | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | C468 L470 I517 V518 K519 K525 T526 A527 | C468-A521 HydrophobicContact CB-CB 4.43Å; L470-A521 HydrophobicContact CD1-CB 3.84Å; I517-A521 WeakPolarHBondContact O-CB 3.39Å; I517-A521 PolarHBondContact O-N 3.43Å; V518-A521 PolarHBondContact O-N 3.4Å; K519-A521 VanDerWaalsContact C-N 3.31Å; K519-A521 PolarHBondContact O-N 2.92Å; A521-K525 PolarHBondContact O-N 2.71Å; A521-K525 VanDerWaalsContact O-N 3.1Å; A521-T526 WeakPolarHBondContact CA-OG1 3.36Å; A521-T526 PolarHBondContact O-N 2.75Å; A521-T526 PolarHBondContact O-OG1 3.13Å; A521-A527 HydrophobicContact CB-CB 3.96Å; A521-A527 PolarHBondContact O-N 3.15Å; A521-A527 VanDerWaalsContact O-N 3.17Å |
| 522 | Y | 98.6 | Very high | 98.5 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.9 | -41.8 | 173.5 | -76.2 | -69.6 | 0 | 0 | 0 | 111.9 | C468 V518 K519 D520 E524 K525 A527 V529 Y530 E532 P533 | C468-Y522 HydrophobicContact CB-CE2 4.45Å; V518-Y522 HydrophobicContact CG1-CD2 3.84Å; V518-Y522 HydrophobicContact CG1-CE2 3.6Å; V518-Y522 WeakPolarHBondContact O-CD2 3.39Å; V518-Y522 PolarHBondContact O-N 3.2Å; K519-Y522 PolarHBondContact O-N 3.25Å; D520-Y522 PolarHBondContact O-N 3.24Å; Y522-E524 VanDerWaalsContact C-N 3.27Å; Y522-E524 PolarHBondContact O-N 3.32Å; Y522-K525 PolarHBondContact O-N 3.39Å; Y522-K525 VanDerWaalsContact O-N 3.14Å; Y522-A527 HydrophobicContact CD1-CB 3.74Å; Y522-A527 HydrophobicContact CD2-CB 4.38Å; Y522-A527 HydrophobicContact CE1-CB 3.7Å; Y522-A527 HydrophobicContact CE2-CB 4.35Å; Y522-A527 HydrophobicContact CG-CB 4.07Å; Y522-V529 WeakPolarHBondContact CE1-O 3.12Å; Y522-V529 PolarHBondContact OH-O 3.19Å; Y522-Y530 HydrophobicContact CE1-CE1 4.31Å; Y522-E532 HydrophobicContact CD1-CB 3.77Å; Y522-E532 HydrophobicContact CD1-CG 3.55Å; Y522-E532 HydrophobicContact CD2-CG 3.91Å; Y522-E532 HydrophobicContact CE1-CB 3.65Å; Y522-E532 HydrophobicContact CE1-CG 3.76Å; Y522-E532 HydrophobicContact CE2-CG 4.1Å; Y522-E532 HydrophobicContact CG-CB 4.38Å; Y522-E532 HydrophobicContact CG-CG 3.64Å; Y522-P533 HydrophobicContact CE2-CG 4.12Å; Y522-P533 VanDerWaalsContact CZ-CD 3.48Å; Y522-P533 WeakPolarHBondContact OH-CD 3.34Å |
| 523 | Q | 98.2 | Very high | 98.5 | Very high | 151 Ų | 151 | 57.2 Ų | 57.2 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.3 | -39.5 | 177.5 | -178.1 | 174.8 | -9.1 | 0 | 0 | 112 | K519 D520 K525 | K519-Q523 PolarHBondContact O-N 2.94Å; K519-Q523 VanDerWaalsContact O-N 3.07Å; D520-Q523 PolarHBondContact O-N 3.07Å; Q523-K525 VanDerWaalsContact C-N 3.35Å |
| 524 | E | 97.4 | Very high | 98.4 | Very high | 90 Ų | 90 | 66.5 Ų | 66.5 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 4.1 | -178.7 | -65 | 173.8 | -157.1 | 0 | 0 | 113 | K476 D520 Y522 T526 | K476-E524 IonicContact NZ-OE1 2.92Å; K476-E524 PolarHBondContact NZ-OE1 3.37Å; K476-E524 IonicContact NZ-OE2 3.05Å; K476-E524 PolarHBondContact NZ-OE2 3.5Å; D520-E524 WeakPolarHBondContact O-CB 3.32Å; D520-E524 WeakPolarHBondContact O-CG 3.46Å; D520-E524 PolarHBondContact O-N 3.25Å; Y522-E524 VanDerWaalsContact C-N 3.27Å; Y522-E524 PolarHBondContact O-N 3.32Å; E524-T526 HydrophobicContact CB-CG2 4.39Å; E524-T526 PolarHBondContact O-N 3.4Å |
| 525 | K | 98.1 | Very high | 98.4 | Very high | 176 Ų | 176 | 71 Ų | 71 | 77% | 0.765 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 34.9 | 179.2 | -54.5 | -178.7 | 179.1 | 179.9 | 0 | 113.9 | A521 Y522 Q523 | A521-K525 PolarHBondContact O-N 2.71Å; A521-K525 VanDerWaalsContact O-N 3.1Å; Y522-K525 PolarHBondContact O-N 3.39Å; Y522-K525 VanDerWaalsContact O-N 3.14Å; Q523-K525 VanDerWaalsContact C-N 3.35Å |
| 526 | T | 98 | Very high | 98.4 | Very high | 64 Ų | 64 | 70.9 Ų | 70.9 | 39% | 0.393 | 35% | 0.348 | S | S | . | . | trans | -101.3 | -13.6 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | L470 A521 E524 | L470-T526 WeakPolarHBondContact CD1-OG1 3.44Å; A521-T526 WeakPolarHBondContact CA-OG1 3.36Å; A521-T526 PolarHBondContact O-N 2.75Å; A521-T526 PolarHBondContact O-OG1 3.13Å; E524-T526 HydrophobicContact CB-CG2 4.39Å; E524-T526 PolarHBondContact O-N 3.4Å | ||
| 527 | A | 98.5 | Very high | 98.3 | Very high | 5 Ų | 5 | 70.4 Ų | 70.4 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | trans | -68.8 | 147.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C468 A521 Y522 Y530 | C468-A527 HydrophobicContact CB-CB 4.05Å; A521-A527 HydrophobicContact CB-CB 3.96Å; A521-A527 PolarHBondContact O-N 3.15Å; A521-A527 VanDerWaalsContact O-N 3.17Å; Y522-A527 HydrophobicContact CD1-CB 3.74Å; Y522-A527 HydrophobicContact CD2-CB 4.38Å; Y522-A527 HydrophobicContact CE1-CB 3.7Å; Y522-A527 HydrophobicContact CE2-CB 4.35Å; Y522-A527 HydrophobicContact CG-CB 4.07Å; A527-Y530 WeakPolarHBondContact O-CE2 3.31Å | ||
| 528 | T | 98.7 | Very high | 98.3 | Very high | 53 Ų | 53 | 72.6 Ų | 72.6 | 33% | 0.325 | 37% | 0.365 | S | S | . | . | trans | -118.7 | -11.3 | 178.3 | 64.8 | 0 | 0 | 0 | 0 | 114.4 | N239 C468 G469 R471 Y530 | N239-T528 PolarHBondContact ND2-OG1 3.32Å; C468-T528 PolarHBondContact O-N 2.85Å; G469-T528 WeakPolarHBondContact CA-OG1 3.46Å; G469-T528 WeakPolarHBondContact O-CB 3.38Å; G469-T528 WeakPolarHBondContact O-CG2 3.38Å; G469-T528 PolarHBondContact O-N 2.94Å; G469-T528 PolarHBondContact O-OG1 3.25Å; R471-T528 HydrophobicContact CG-CG2 3.65Å; T528-Y530 WeakPolarHBondContact O-CD2 3.12Å | ||
| 529 | V | 98.6 | Very high | 98.3 | Very high | 50 Ų | 50 | 74.4 Ų | 74.4 | 30% | 0.303 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -75.9 | 127.7 | 171.9 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | C468 Y522 F539 | C468-V529 PolarHBondContact O-N 3.12Å; C468-V529 VanDerWaalsContact O-N 3.11Å; Y522-V529 WeakPolarHBondContact CE1-O 3.12Å; Y522-V529 PolarHBondContact OH-O 3.19Å; V529-F539 HydrophobicContact CG1-CZ 4.11Å |
| 530 | Y | 97.9 | Very high | 98.2 | Very high | 143 Ų | 143 | 69.9 Ų | 69.9 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -139.8 | 153 | 177.8 | -77.5 | -84.7 | 0 | 0 | 0 | 111.3 | Y522 A527 T528 | Y522-Y530 HydrophobicContact CE1-CE1 4.31Å; A527-Y530 WeakPolarHBondContact O-CE2 3.31Å; T528-Y530 WeakPolarHBondContact O-CD2 3.12Å |
| 531 | P | 98.1 | Very high | 98.2 | Very high | 116 Ų | 116 | 74.6 Ų | 74.6 | 75% | 0.753 | 37% | 0.37 | S | S | * | . | S | Bend | cis | -68.2 | 156.1 | -1.3 | 30.2 | -36 | 0 | 0 | 0 | 113 | ||
| 532 | E | 98.6 | Very high | 98.1 | Very high | 95 Ų | 95 | 78.1 Ų | 78.1 | 44% | 0.444 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 127.1 | 175.9 | 177.6 | 179.2 | 172.4 | 0 | 0 | 109.9 | Y522 K536 | Y522-E532 HydrophobicContact CD1-CB 3.77Å; Y522-E532 HydrophobicContact CD1-CG 3.55Å; Y522-E532 HydrophobicContact CD2-CG 3.91Å; Y522-E532 HydrophobicContact CE1-CB 3.65Å; Y522-E532 HydrophobicContact CE1-CG 3.76Å; Y522-E532 HydrophobicContact CE2-CG 4.1Å; Y522-E532 HydrophobicContact CG-CB 4.38Å; Y522-E532 HydrophobicContact CG-CG 3.64Å; E532-K536 WeakPolarHBondContact OE1-CE 3.12Å; E532-K536 IonicContact OE1-NZ 3.03Å; E532-K536 PolarHBondContact OE1-NZ 2.84Å |
| 533 | P | 98.1 | Very high | 98.1 | Very high | 19 Ų | 19 | 80.6 Ų | 80.6 | 12% | 0.123 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 137.4 | -179.3 | 28 | -34.7 | 0 | 0 | 0 | 110.5 | Y522 N535 K536 F539 | Y522-P533 HydrophobicContact CE2-CG 4.12Å; Y522-P533 VanDerWaalsContact CZ-CD 3.48Å; Y522-P533 WeakPolarHBondContact OH-CD 3.34Å; P533-N535 PolarHBondContact O-N 3.29Å; P533-K536 WeakPolarHBondContact O-CD 3.3Å; P533-K536 VanDerWaalsContact O-CE 3.24Å; P533-K536 WeakPolarHBondContact O-CE 3.22Å; P533-K536 PolarHBondContact O-NZ 3.46Å; P533-F539 HydrophobicContact CB-CB 3.64Å; P533-F539 HydrophobicContact CB-CD1 4.32Å; P533-F539 HydrophobicContact CB-CD2 3.82Å; P533-F539 HydrophobicContact CB-CE2 4.49Å; P533-F539 HydrophobicContact CB-CG 3.69Å; P533-F539 HydrophobicContact CG-CB 3.89Å; P533-F539 HydrophobicContact CG-CD1 3.71Å; P533-F539 HydrophobicContact CG-CD2 4Å; P533-F539 HydrophobicContact CG-CE1 4.12Å; P533-F539 HydrophobicContact CG-CE2 4.39Å; P533-F539 HydrophobicContact CG-CG 3.6Å; P533-F539 HydrophobicContact CG-CZ 4.41Å |
| 534 | Q | 97.8 | Very high | 98.1 | Very high | 195 Ų | 195 | 74.2 Ų | 74.2 | 91% | 0.911 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -63.2 | -45.2 | 179.4 | -169.8 | 174.3 | 5.3 | 0 | 0 | 111.8 | ||
| 535 | N | 98.3 | Very high | 98.1 | Very high | 94 Ų | 94 | 70.7 Ų | 70.7 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | trans | -110.3 | 111.2 | 175 | -176.6 | -23.7 | 0 | 0 | 0 | 110.3 | P533 E537 A538 F539 | P533-N535 PolarHBondContact O-N 3.29Å; N535-E537 PolarHBondContact OD1-N 3.42Å; N535-E537 VanDerWaalsContact OD1-N 3.12Å; N535-A538 HydrophobicContact CB-CB 3.99Å; N535-A538 PolarHBondContact OD1-N 3.49Å; N535-F539 VanDerWaalsContact O-CB 3.24Å; N535-F539 WeakPolarHBondContact O-CB 3.33Å; N535-F539 PolarHBondContact O-N 2.66Å | ||
| 536 | K | 98.4 | Very high | 98.1 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 14% | 0.143 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.8 | -38.8 | -174.8 | -78.4 | 66 | 177.2 | 171.1 | 0 | 112.1 | E515 V518 K519 E532 P533 F539 V540 | E515-K536 HydrophobicContact CG-CB 4.48Å; V518-K536 HydrophobicContact CG1-CB 4.25Å; V518-K536 HydrophobicContact CG1-CG 3.79Å; K519-K536 HydrophobicContact CG-CB 4.14Å; K519-K536 HydrophobicContact CG-CG 4.03Å; E532-K536 WeakPolarHBondContact OE1-CE 3.12Å; E532-K536 IonicContact OE1-NZ 3.03Å; E532-K536 PolarHBondContact OE1-NZ 2.84Å; P533-K536 WeakPolarHBondContact O-CD 3.3Å; P533-K536 VanDerWaalsContact O-CE 3.24Å; P533-K536 WeakPolarHBondContact O-CE 3.22Å; P533-K536 PolarHBondContact O-NZ 3.46Å; K536-F539 PolarHBondContact O-N 3Å; K536-V540 WeakPolarHBondContact O-CG2 3.46Å; K536-V540 PolarHBondContact O-N 2.87Å |
| 537 | E | 98.1 | Very high | 98.1 | Very high | 65 Ų | 65 | 61.4 Ų | 61.4 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -50.3 | 177.9 | -169.5 | -161.8 | 162.3 | 0 | 0 | 110.7 | L511 E515 N535 F539 V540 R541 | L511-E537 HydrophobicContact CD1-CG 4.47Å; L511-E537 HydrophobicContact CD2-CG 4.38Å; E515-E537 HydrophobicContact CG-CB 4.27Å; N535-E537 PolarHBondContact OD1-N 3.42Å; N535-E537 VanDerWaalsContact OD1-N 3.12Å; E537-F539 VanDerWaalsContact C-N 3.27Å; E537-F539 PolarHBondContact O-N 2.83Å; E537-V540 PolarHBondContact O-N 3.5Å; E537-V540 VanDerWaalsContact O-N 3.16Å; E537-R541 WeakPolarHBondContact O-CG 3.48Å; E537-R541 PolarHBondContact O-N 3.09Å; E537-R541 IonicContact OE1-CZ 3.89Å; E537-R541 VanDerWaalsContact OE1-CZ 3.23Å; E537-R541 IonicContact OE1-NE 3.51Å; E537-R541 PolarHBondContact OE1-NE 3.23Å; E537-R541 IonicContact OE1-NH2 2.71Å; E537-R541 PolarHBondContact OE1-NH2 3.23Å |
| 538 | A | 97.9 | Very high | 98 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 40% | 0.397 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N535 R541 S542 | N535-A538 HydrophobicContact CB-CB 3.99Å; N535-A538 PolarHBondContact OD1-N 3.49Å; A538-R541 PolarHBondContact O-N 2.86Å; A538-S542 WeakPolarHBondContact O-CB 3.37Å; A538-S542 PolarHBondContact O-N 3.04Å |
| 539 | F | 98.6 | Very high | 98 | Very high | 39 Ų | 39 | 64 Ų | 64 | 17% | 0.171 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 173.2 | 170.1 | -106.8 | 0 | 0 | 0 | 112.3 | A467 V518 V529 P533 N535 K536 E537 S542 Q543 | A467-F539 HydrophobicContact CB-CE1 4.19Å; A467-F539 VanDerWaalsContact O-CE1 3.32Å; A467-F539 WeakPolarHBondContact O-CE1 3.22Å; A467-F539 VanDerWaalsContact O-CZ 3.23Å; A467-F539 WeakPolarHBondContact O-CZ 3.42Å; V518-F539 HydrophobicContact CG1-CD1 4.41Å; V518-F539 HydrophobicContact CG1-CE1 4.48Å; V529-F539 HydrophobicContact CG1-CZ 4.11Å; P533-F539 HydrophobicContact CB-CB 3.64Å; P533-F539 HydrophobicContact CB-CD1 4.32Å; P533-F539 HydrophobicContact CB-CD2 3.82Å; P533-F539 HydrophobicContact CB-CE2 4.49Å; P533-F539 HydrophobicContact CB-CG 3.69Å; P533-F539 HydrophobicContact CG-CB 3.89Å; P533-F539 HydrophobicContact CG-CD1 3.71Å; P533-F539 HydrophobicContact CG-CD2 4Å; P533-F539 HydrophobicContact CG-CE1 4.12Å; P533-F539 HydrophobicContact CG-CE2 4.39Å; P533-F539 HydrophobicContact CG-CG 3.6Å; P533-F539 HydrophobicContact CG-CZ 4.41Å; N535-F539 VanDerWaalsContact O-CB 3.24Å; N535-F539 WeakPolarHBondContact O-CB 3.33Å; N535-F539 PolarHBondContact O-N 2.66Å; K536-F539 PolarHBondContact O-N 3Å; E537-F539 VanDerWaalsContact C-N 3.27Å; E537-F539 PolarHBondContact O-N 2.83Å; F539-S542 PolarHBondContact O-N 3.01Å; F539-S542 PolarHBondContact O-OG 3.33Å; F539-Q543 VanDerWaalsContact CE1-NE2 3.26Å; F539-Q543 PolarHBondContact O-N 3.19Å |
| 540 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.9 | -48 | 177.4 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | L463 L511 A514 V518 K536 E537 S542 Q543 M544 | L463-V540 HydrophobicContact CD1-CG1 4.47Å; L463-V540 HydrophobicContact CD2-CG1 3.49Å; L463-V540 VanDerWaalsContact CD2-CG1 3.49Å; L463-V540 HydrophobicContact CG-CG1 3.95Å; L511-V540 HydrophobicContact CD1-CB 3.87Å; L511-V540 HydrophobicContact CD1-CG1 3.49Å; L511-V540 VanDerWaalsContact CD1-CG1 3.49Å; A514-V540 HydrophobicContact CB-CG1 3.85Å; A514-V540 HydrophobicContact CB-CG2 4.48Å; V518-V540 HydrophobicContact CG2-CG2 3.83Å; K536-V540 WeakPolarHBondContact O-CG2 3.46Å; K536-V540 PolarHBondContact O-N 2.87Å; E537-V540 PolarHBondContact O-N 3.5Å; E537-V540 VanDerWaalsContact O-N 3.16Å; V540-S542 VanDerWaalsContact C-N 3.27Å; V540-S542 PolarHBondContact O-N 2.87Å; V540-Q543 PolarHBondContact O-N 2.91Å; V540-M544 PolarHBondContact O-N 3.3Å |
| 541 | R | 98 | Very high | 97.8 | Very high | 116 Ų | 116 | 59.7 Ų | 59.7 | 44% | 0.438 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.2 | -39.4 | 177.7 | -72.5 | -175.3 | -177 | -80.7 | 0.8 | 112.6 | L511 E537 A538 Q543 M544 | L511-R541 HydrophobicContact CD1-CG 3.88Å; L511-R541 HydrophobicContact CD2-CG 3.89Å; E537-R541 WeakPolarHBondContact O-CG 3.48Å; E537-R541 PolarHBondContact O-N 3.09Å; E537-R541 IonicContact OE1-CZ 3.89Å; E537-R541 VanDerWaalsContact OE1-CZ 3.23Å; E537-R541 IonicContact OE1-NE 3.51Å; E537-R541 PolarHBondContact OE1-NE 3.23Å; E537-R541 IonicContact OE1-NH2 2.71Å; E537-R541 PolarHBondContact OE1-NH2 3.23Å; A538-R541 PolarHBondContact O-N 2.86Å; R541-Q543 PolarHBondContact O-N 3.03Å; R541-M544 PolarHBondContact O-N 3.04Å |
| 542 | S | 97 | Very high | 97.7 | Very high | 76 Ų | 76 | 54.5 Ų | 54.5 | 53% | 0.531 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.6 | -26 | 178.2 | 77.8 | 0 | 0 | 0 | 0 | 113.3 | A538 F539 V540 | A538-S542 WeakPolarHBondContact O-CB 3.37Å; A538-S542 PolarHBondContact O-N 3.04Å; F539-S542 PolarHBondContact O-N 3.01Å; F539-S542 PolarHBondContact O-OG 3.33Å; V540-S542 VanDerWaalsContact C-N 3.27Å; V540-S542 PolarHBondContact O-N 2.87Å |
| 543 | Q | 96.9 | Very high | 97.6 | Very high | 64 Ų | 64 | 51 Ų | 51 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -91.6 | -18.5 | 178.7 | -64.2 | -168.6 | 54.6 | 0 | 0 | 113.5 | F539 V540 R541 | F539-Q543 VanDerWaalsContact CE1-NE2 3.26Å; F539-Q543 PolarHBondContact O-N 3.19Å; V540-Q543 PolarHBondContact O-N 2.91Å; R541-Q543 PolarHBondContact O-N 3.03Å |
| 544 | M | 98.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 9% | 0.089 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -64.4 | 138.6 | 179.3 | -67.9 | 179.4 | 83.7 | 0 | 0 | 111.1 | R7 G182 L463 L511 V540 R541 S546 | R7-M544 PolarHBondContact NH1-O 2.77Å; R7-M544 PolarHBondContact NH2-O 3.23Å; R7-M544 VanDerWaalsContact NH2-O 3.13Å; G182-M544 CarbonylContact O-C 3.43Å; G182-M544 WeakPolarHBondContact O-CA 3.47Å; L463-M544 HydrophobicContact CD1-CG 4.18Å; L463-M544 HydrophobicContact CD2-CE 4.23Å; L463-M544 HydrophobicContact CD2-CG 3.91Å; L463-M544 HydrophobicContact CD2-SD 4.16Å; L511-M544 HydrophobicContact CB-SD 4.3Å; L511-M544 HydrophobicContact CD1-SD 4.05Å; V540-M544 PolarHBondContact O-N 3.3Å; R541-M544 PolarHBondContact O-N 3.04Å; M544-S546 PolarHBondContact O-N 3.22Å |
| 545 | Y | 98.1 | Very high | 97.3 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 6% | 0.059 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 128.4 | 175.3 | -177.8 | -105.2 | 0 | 0 | 0 | 110.8 | K84 Y87 T178 G182 M183 P185 R507 T547 | K84-Y545 HydrophobicContact CD-CE2 4.45Å; K84-Y545 WeakPolarHBondContact CD-OH 3.44Å; K84-Y545 WeakPolarHBondContact CE-OH 3.38Å; K84-Y545 WeakPolarHBondContact CG-OH 3.45Å; Y87-Y545 AromaticContact CD2-CE1 3.83Å; Y87-Y545 HydrophobicContact CD2-CE1 3.83Å; Y87-Y545 HydrophobicContact CG-CE1 4.15Å; T178-Y545 HydrophobicContact CG2-CD1 3.61Å; T178-Y545 HydrophobicContact CG2-CE1 4.04Å; T178-Y545 HydrophobicContact CG2-CG 4.13Å; G182-Y545 WeakPolarHBondContact O-CB 3.36Å; G182-Y545 PolarHBondContact O-N 3.2Å; M183-Y545 WeakPolarHBondContact O-CB 3.42Å; P185-Y545 HydrophobicContact CG-CD2 4.39Å; P185-Y545 HydrophobicContact CG-CE2 4Å; R507-Y545 PolarHBondContact NH2-O 2.97Å; R507-Y545 VanDerWaalsContact NH2-O 3.12Å; Y545-T547 HydrophobicContact CE1-CG2 4.34Å |
| 546 | S | 97.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 49.2 Ų | 49.2 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -94.6 | 139.5 | 168.5 | 174.6 | 0 | 0 | 0 | 0 | 109.8 | K84 M544 D548 | K84-S546 PolarHBondContact NZ-O 3.41Å; M544-S546 PolarHBondContact O-N 3.22Å; S546-D548 VanDerWaalsContact C-N 3.29Å; S546-D548 PolarHBondContact OG-N 3.03Å; S546-D548 VanDerWaalsContact OG-N 3.13Å; S546-D548 PolarHBondContact OG-OD2 3.43Å |
| 547 | T | 98 | Very high | 96.9 | Very high | 18 Ų | 18 | 55.7 Ų | 55.7 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | trans | -80.7 | -10.4 | 175 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | Q51 K84 K88 T91 Y545 | Q51-T547 PolarHBondContact NE2-O 3.3Å; Q51-T547 PolarHBondContact OE1-O 3.45Å; K84-T547 WeakPolarHBondContact CD-O 3.45Å; K88-T547 WeakPolarHBondContact CD-OG1 3.45Å; T91-T547 HydrophobicContact CG2-CG2 4.47Å; Y545-T547 HydrophobicContact CE1-CG2 4.34Å | ||
| 548 | D | 97.8 | Very high | 96.9 | Very high | 76 Ų | 76 | 57.2 Ų | 57.2 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -72 | 143.7 | 178.2 | -54.4 | -33.7 | 0 | 0 | 0 | 110.9 | K84 K88 S546 D550 | K84-D548 VanDerWaalsContact CD-O 3.26Å; K84-D548 WeakPolarHBondContact CD-O 3.49Å; K84-D548 WeakPolarHBondContact CE-O 3.39Å; K84-D548 PolarHBondContact NZ-O 3.19Å; K88-D548 IonicContact NZ-OD1 3.63Å; K88-D548 PolarHBondContact NZ-OD1 3.24Å; S546-D548 VanDerWaalsContact C-N 3.29Å; S546-D548 PolarHBondContact OG-N 3.03Å; S546-D548 VanDerWaalsContact OG-N 3.13Å; S546-D548 PolarHBondContact OG-OD2 3.43Å; D548-D550 PolarHBondContact O-N 3.35Å |
| 549 | Y | 98.2 | Very high | 96.8 | Very high | 38 Ų | 38 | 62.5 Ų | 62.5 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 128.9 | -179.3 | -69.5 | -62 | 0 | 0 | 0 | 111.9 | K26 A29 Q51 Q54 N82 K84 | K26-Y549 HydrophobicContact CB-CD1 4.03Å; K26-Y549 HydrophobicContact CB-CE1 3.81Å; K26-Y549 HydrophobicContact CB-CE2 4.44Å; K26-Y549 HydrophobicContact CB-CG 4.42Å; K26-Y549 HydrophobicContact CD-CD1 3.93Å; K26-Y549 HydrophobicContact CD-CD2 4.46Å; K26-Y549 HydrophobicContact CD-CG 3.86Å; K26-Y549 HydrophobicContact CG-CD1 3.56Å; K26-Y549 HydrophobicContact CG-CE1 3.81Å; K26-Y549 HydrophobicContact CG-CG 4.01Å; A29-Y549 HydrophobicContact CB-CD2 3.99Å; A29-Y549 HydrophobicContact CB-CE2 3.41Å; A29-Y549 VanDerWaalsContact CB-CE2 3.41Å; Q51-Y549 HydrophobicContact CB-CD2 4.43Å; Q51-Y549 HydrophobicContact CB-CE2 3.96Å; Q51-Y549 HydrophobicContact CG-CD2 4.37Å; Q51-Y549 HydrophobicContact CG-CE2 3.7Å; Q54-Y549 PolarHBondContact NE2-OH 3.4Å; Q54-Y549 PolarHBondContact OE1-OH 3.08Å; N82-Y549 PolarHBondContact ND2-OH 2.91Å; N82-Y549 PolarHBondContact OD1-OH 3.22Å; K84-Y549 HydrophobicContact CB-CD1 3.65Å; K84-Y549 HydrophobicContact CB-CE1 3.55Å; K84-Y549 HydrophobicContact CG-CD1 3.98Å; K84-Y549 HydrophobicContact CG-CE1 4.32Å |
| 550 | D | 95.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 15% | 0.15 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 146.6 | 175.4 | -52.3 | -46.5 | 0 | 0 | 0 | 110.2 | R7 R9 K26 K84 D548 I552 | R7-D550 WeakPolarHBondContact CB-OD1 3.38Å; R7-D550 CarbonylContact O-C 3.53Å; R7-D550 WeakPolarHBondContact O-CA 3.2Å; R7-D550 WeakPolarHBondContact O-CB 3.35Å; R9-D550 HydrophobicContact CB-CB 4.19Å; K26-D550 WeakPolarHBondContact CE-O 3.4Å; K26-D550 PolarHBondContact NZ-O 3.47Å; K84-D550 WeakPolarHBondContact CE-OD2 3.25Å; K84-D550 VanDerWaalsContact NZ-CG 3.28Å; K84-D550 IonicContact NZ-OD1 3.76Å; K84-D550 PolarHBondContact NZ-OD1 3.22Å; K84-D550 IonicContact NZ-OD2 3.81Å; K84-D550 PolarHBondContact NZ-OD2 3.33Å; D548-D550 PolarHBondContact O-N 3.35Å; D550-I552 PolarHBondContact O-N 3.45Å |
| 551 | Q | 96.3 | Very high | 96.6 | Very high | 74 Ų | 74 | 71 Ų | 71 | 35% | 0.346 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -72.6 | 122.8 | 171.4 | 179.5 | 152.3 | -46.3 | 0 | 0 | 109.6 | P6 R7 R9 L553 | P6-Q551 HydrophobicContact CB-CB 4.46Å; R7-Q551 PolarHBondContact O-N 3.11Å; R9-Q551 PolarHBondContact N-O 3.17Å; Q551-L553 HydrophobicContact CG-CB 4.42Å |
| 552 | I | 96.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 73.8 Ų | 73.8 | 3% | 0.031 | 39% | 0.386 | C | S | . | . | trans | -109.2 | -1.3 | -177.5 | 65.1 | 173.4 | 0 | 0 | 0 | 114.6 | R9 T11 L18 L24 F30 L38 D550 | R9-I552 HydrophobicContact CB-CG2 4.35Å; R9-I552 VanDerWaalsContact O-CA 3.29Å; R9-I552 WeakPolarHBondContact O-CA 3.24Å; T11-I552 HydrophobicContact CG2-CB 4.21Å; L18-I552 HydrophobicContact CD1-CD1 4.12Å; L24-I552 HydrophobicContact CD2-CG2 4.27Å; F30-I552 HydrophobicContact CE1-CD1 3.81Å; F30-I552 HydrophobicContact CZ-CD1 4.34Å; L38-I552 HydrophobicContact CD1-CD1 3.68Å; L38-I552 HydrophobicContact CD1-CG1 3.98Å; D550-I552 PolarHBondContact O-N 3.45Å | ||
| 553 | L | 96.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 74.6 Ų | 74.6 | 12% | 0.115 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -73.9 | 150.6 | 170.8 | -66.8 | -177.4 | 0 | 0 | 0 | 110.8 | E33 E34 Q37 L38 Q551 | E33-L553 HydrophobicContact CG-CD1 4.11Å; E34-L553 HydrophobicContact CG-CD1 3.85Å; E34-L553 HydrophobicContact CG-CD2 4.45Å; E34-L553 HydrophobicContact CG-CG 4Å; Q37-L553 HydrophobicContact CB-CD2 3.59Å; Q37-L553 HydrophobicContact CG-CD2 4.33Å; L38-L553 HydrophobicContact CD2-CD2 4.1Å; L38-L553 HydrophobicContact CG-CD2 4.04Å; Q551-L553 HydrophobicContact CG-CB 4.42Å |
| 554 | P | 95 | Very high | 96.3 | Very high | 77 Ų | 77 | 76.4 Ų | 76.4 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | trans | -59.4 | 145.4 | 170.8 | 27.5 | -34.6 | 0 | 0 | 0 | 110.6 | C556 | P554-C556 PolarHBondContact O-N 3.01Š| ||
| 555 | D | 94.3 | Very high | 96.1 | Very high | 82 Ų | 82 | 81.7 Ų | 81.7 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | trans | -76.5 | 115.9 | 172.8 | -171.8 | 38.6 | 0 | 0 | 0 | 109.4 | R8 | R8-D555 IonicContact CZ-OD1 3.89Å; R8-D555 VanDerWaalsContact CZ-OD1 3.25Å; R8-D555 IonicContact CZ-OD2 2.85Å; R8-D555 IonicContact NH1-OD1 3.47Å; R8-D555 PolarHBondContact NH1-OD1 3.5Å; R8-D555 VanDerWaalsContact NH1-OD1 3.14Å; R8-D555 IonicContact NH1-OD2 2.78Å; R8-D555 PolarHBondContact NH1-OD2 2.89Å; R8-D555 IonicContact NH2-OD1 2.85Å; R8-D555 PolarHBondContact NH2-OD1 3.37Å; R8-D555 IonicContact NH2-OD2 3.97Å | ||
| 556 | C | 93.6 | Very high | 95.9 | Very high | 111 Ų | 111 | 88.4 Ų | 88.4 | 75% | 0.75 | 45% | 0.454 | S | S | * | . | trans | -105.3 | 122.1 | -178.8 | -66.6 | 0 | 0 | 0 | 0 | 109.5 | P554 | P554-C556 PolarHBondContact O-N 3.01Š| ||
| 557 | Y | 95.1 | Very high | 95.7 | Very high | 169 Ų | 169 | 96.1 Ų | 96.1 | 66% | 0.663 | 49% | 0.487 | S | S | * | . | trans | -138.9 | 148.1 | 172.3 | 59.2 | -86.2 | 0 | 0 | 0 | 109.6 | W559 | Y557-W559 AromaticContact CE2-CD1 3.87Å; Y557-W559 AromaticContact CE2-NE1 3.5Å | ||
| 558 | S | 96.3 | Very high | 95.3 | Very high | 98 Ų | 98 | 101.6 Ų | 101.6 | 69% | 0.685 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 156.6 | 178.7 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 559 | W | 96.1 | Very high | 94.5 | Very high | 158 Ų | 158 | 106 Ų | 106 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -99 | 168 | 168.6 | -76.6 | 15.7 | 0 | 0 | 0 | 109.3 | Y557 E561 V563 Q564 | Y557-W559 AromaticContact CE2-CD1 3.87Å; Y557-W559 AromaticContact CE2-NE1 3.5Å; W559-E561 PolarHBondContact O-N 2.88Å; W559-V563 HydrophobicContact CB-CG2 4Å; W559-V563 HydrophobicContact CE3-CG2 4.02Å; W559-Q564 HydrophobicContact CB-CB 4.39Å; W559-Q564 PolarHBondContact O-OE1 2.98Å |
| 560 | P | 97.3 | Very high | 93.3 | Very high | 95 Ų | 95 | 110.5 Ų | 110.5 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 130.5 | 168.4 | -24.5 | 33.9 | 0 | 0 | 0 | 110.3 | E562 V563 Q564 | P560-E562 PolarHBondContact O-N 3.23Å; P560-V563 HydrophobicContact CB-CG2 4.16Å; P560-V563 HydrophobicContact CG-CG2 4.4Å; P560-V563 WeakPolarHBondContact O-CG2 3.43Å; P560-V563 PolarHBondContact O-N 2.96Å; P560-Q564 PolarHBondContact O-N 3.1Å |
| 561 | E | 95.4 | Very high | 92 | Very high | 122 Ų | 122 | 115.1 Ų | 115.1 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -52.9 | -37.2 | -171.7 | -179 | 59.1 | -152.4 | 0 | 0 | 112.6 | W559 V563 Q564 K565 | W559-E561 PolarHBondContact O-N 2.88Å; E561-V563 VanDerWaalsContact C-N 3.25Å; E561-V563 PolarHBondContact O-N 2.92Å; E561-Q564 PolarHBondContact O-N 3.13Å; E561-Q564 VanDerWaalsContact O-N 3.15Å; E561-K565 WeakPolarHBondContact O-CG 3.34Å; E561-K565 PolarHBondContact O-N 3.05Å; E561-K565 VanDerWaalsContact O-N 3.13Å |
| 562 | E | 94.7 | Very high | 89.9 | Confident | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -57.2 | -35.3 | 178.1 | -63.1 | -178.7 | 177.2 | 0 | 0 | 113.6 | P560 | P560-E562 PolarHBondContact O-N 3.23Å |
| 563 | V | 94.5 | Very high | 89.6 | Confident | 94 Ų | 94 | 130.3 Ų | 130.3 | 57% | 0.57 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -95.4 | -11.5 | 179.4 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | W559 P560 E561 | W559-V563 HydrophobicContact CB-CG2 4Å; W559-V563 HydrophobicContact CE3-CG2 4.02Å; P560-V563 HydrophobicContact CB-CG2 4.16Å; P560-V563 HydrophobicContact CG-CG2 4.4Å; P560-V563 WeakPolarHBondContact O-CG2 3.43Å; P560-V563 PolarHBondContact O-N 2.96Å; E561-V563 VanDerWaalsContact C-N 3.25Å; E561-V563 PolarHBondContact O-N 2.92Å |
| 564 | Q | 96.4 | Very high | 89.2 | Confident | 102 Ų | 102 | 136 Ų | 136 | 48% | 0.477 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -91.7 | -19.2 | 179.2 | -168.3 | 168.5 | -2.7 | 0 | 0 | 112.8 | W559 P560 E561 I566 | W559-Q564 HydrophobicContact CB-CB 4.39Å; W559-Q564 PolarHBondContact O-OE1 2.98Å; P560-Q564 PolarHBondContact O-N 3.1Å; E561-Q564 PolarHBondContact O-N 3.13Å; E561-Q564 VanDerWaalsContact O-N 3.15Å; Q564-I566 PolarHBondContact O-N 3.38Å |
| 565 | K | 94 | Very high | 88.9 | Confident | 129 Ų | 129 | 139.3 Ų | 139.3 | 56% | 0.561 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -58 | 135.9 | 178.9 | -80.5 | 172.3 | -171.9 | 176.4 | 0 | 112.5 | E561 Q567 | E561-K565 WeakPolarHBondContact O-CG 3.34Å; E561-K565 PolarHBondContact O-N 3.05Å; E561-K565 VanDerWaalsContact O-N 3.13Å; K565-Q567 PolarHBondContact O-N 2.83Å |
| 566 | I | 95.1 | Very high | 88.6 | Confident | 156 Ų | 156 | 142.6 Ų | 142.6 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 124.6 | 169.8 | -58.9 | 173.2 | 0 | 0 | 0 | 108.2 | Q564 | Q564-I566 PolarHBondContact O-N 3.38Š|
| 567 | Q | 92.7 | Very high | 88.2 | Confident | 188 Ų | 188 | 144.6 Ų | 144.6 | 88% | 0.879 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 132.5 | 179.2 | -60.9 | -177.3 | 13.5 | 0 | 0 | 110.5 | K565 | K565-Q567 PolarHBondContact O-N 2.83Š|
| 568 | T | 90.8 | Very high | 87.8 | Confident | 133 Ų | 133 | 143 Ų | 143 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | trans | -114.3 | -3.7 | -176 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | V570 | T568-V570 PolarHBondContact O-N 3.14Š| ||
| 569 | K | 80.8 | Confident | 87.2 | Confident | 169 Ų | 169 | 146.2 Ų | 146.2 | 74% | 0.735 | 73% | 0.726 | S | S | * | * | trans | -86.7 | 111.7 | -175.8 | -160.1 | -175.5 | -179.3 | -137.4 | 0 | 110.7 | D571 | K569-D571 VanDerWaalsContact CE-OD1 3.31Å; K569-D571 WeakPolarHBondContact CE-OD1 3.37Å; K569-D571 IonicContact NZ-OD1 2.75Å; K569-D571 PolarHBondContact NZ-OD1 2.77Å | ||
| 570 | V | 72.3 | Confident | 86.5 | Confident | 132 Ų | 132 | 145.3 Ų | 145.3 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | -98.8 | 114.2 | 161.4 | -174.3 | 0 | 0 | 0 | 0 | 105.1 | T568 Q572 | T568-V570 PolarHBondContact O-N 3.14Å; V570-Q572 PolarHBondContact O-N 2.78Å | ||
| 571 | D | 67.8 | Low | 85.6 | Confident | 126 Ų | 126 | 149.5 Ų | 149.5 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | trans | -60.1 | 123.9 | 173.9 | -71.1 | -40.7 | 0 | 0 | 0 | 108.3 | K569 | K569-D571 VanDerWaalsContact CE-OD1 3.31Å; K569-D571 WeakPolarHBondContact CE-OD1 3.37Å; K569-D571 IonicContact NZ-OD1 2.75Å; K569-D571 PolarHBondContact NZ-OD1 2.77Å | ||
| 572 | Q | 52.8 | Low | 84.7 | Confident | 268 Ų | 268 | 152 Ų | 152 | 100% | 1.252 | 76% | 0.762 | S | S | * | * | trans | -73.9 | 0 | 173.9 | -79.5 | -174.2 | -17.2 | 0 | 0 | 111.3 | V570 | V570-Q572 PolarHBondContact O-N 2.78Š|
Retrieved 572 of 572 residues in 1353.1 ms
(Link to these results)