| 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 | 28.7 | Very low | 48.2 | Very low | 244 Ų | 244 | 115 Ų | 115 | 100% | 1.202 | 63% | 0.629 | S | S | * | * | 0 | 133.7 | 0 | -69.7 | -178.9 | -166.2 | 0 | 0 | 107.2 | |||||
| 2 | S | 24.8 | Very low | 51.6 | Low | 103 Ų | 103 | 111.3 Ų | 111.3 | 72% | 0.72 | 61% | 0.608 | S | S | * | * | trans | -60.5 | 135.3 | -166.1 | 46.2 | 0 | 0 | 0 | 0 | 114.3 | Q4 | S2-Q4 VanDerWaalsContact C-N 3.31Å; S2-Q4 PolarHBondContact O-N 2.97Å | ||
| 3 | N | 28.6 | Very low | 54.7 | Low | 176 Ų | 176 | 102.9 Ų | 102.9 | 94% | 0.941 | 56% | 0.563 | S | S | * | * | trans | -56.8 | 86 | 160.5 | -81.2 | -15.3 | 0 | 0 | 0 | 110.7 | ||||
| 4 | Q | 25.1 | Very low | 57.5 | Low | 167 Ų | 167 | 95.7 Ų | 95.7 | 78% | 0.78 | 52% | 0.523 | S | S | * | . | trans | -99.1 | 123.6 | 158.1 | -86.9 | -176.1 | -19.3 | 0 | 0 | 108.5 | S2 T6 | S2-Q4 VanDerWaalsContact C-N 3.31Å; S2-Q4 PolarHBondContact O-N 2.97Å; Q4-T6 PolarHBondContact O-N 2.77Å; Q4-T6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | S | 34.7 | Very low | 59.8 | Low | 110 Ų | 110 | 95 Ų | 95 | 77% | 0.769 | 51% | 0.513 | S | S | * | . | trans | -50.8 | 105.3 | 178.1 | 55 | 0 | 0 | 0 | 0 | 112.2 | Q7 | S5-Q7 VanDerWaalsContact C-N 3.27Å; S5-Q7 PolarHBondContact O-N 2.96Å; S5-Q7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | T | 31.7 | Very low | 61.9 | Low | 139 Ų | 139 | 91.3 Ų | 91.3 | 85% | 0.853 | 50% | 0.5 | S | S | * | . | trans | -79.3 | 80.4 | 160.6 | 46.1 | 0 | 0 | 0 | 0 | 108.1 | Q4 S8 | Q4-T6 PolarHBondContact O-N 2.77Å; Q4-T6 VanDerWaalsContact O-N 3.09Å; T6-S8 PolarHBondContact O-N 2.77Å | ||
| 7 | Q | 42 | Very low | 63.8 | Low | 111 Ų | 111 | 85.9 Ų | 85.9 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | trans | -62.4 | 121.7 | 159.2 | -90.9 | 176.3 | -9.9 | 0 | 0 | 106.9 | S5 D12 | S5-Q7 VanDerWaalsContact C-N 3.27Å; S5-Q7 PolarHBondContact O-N 2.96Å; S5-Q7 VanDerWaalsContact O-N 3.11Å; Q7-D12 PolarHBondContact OE1-OD1 3.17Å | ||
| 8 | S | 63.3 | Low | 65.5 | Low | 66 Ų | 66 | 82.2 Ų | 82.2 | 46% | 0.462 | 45% | 0.449 | S | S | . | . | trans | -72.8 | 141.7 | -176.5 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | T6 Q11 D12 | T6-S8 PolarHBondContact O-N 2.77Å; S8-Q11 PolarHBondContact O-N 3.31Å; S8-D12 PolarHBondContact O-N 2.95Å | ||
| 9 | Y | 77.6 | Confident | 67 | Low | 83 Ų | 83 | 85.8 Ų | 85.8 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -41.6 | -42.7 | 176.4 | 167.6 | -90 | 0 | 0 | 0 | 114.4 | Q11 D12 A13 V58 R63 | Y9-Q11 VanDerWaalsContact C-N 3.33Å; Y9-Q11 PolarHBondContact O-N 3.34Å; Y9-D12 PolarHBondContact O-N 3.18Å; Y9-A13 HydrophobicContact CE1-CB 4.24Å; Y9-A13 HydrophobicContact CE2-CB 4.5Å; Y9-A13 VanDerWaalsContact O-CB 3.26Å; Y9-A13 WeakPolarHBondContact O-CB 3.47Å; Y9-A13 PolarHBondContact O-N 3.12Å; Y9-V58 HydrophobicContact CD1-CG1 4.14Å; Y9-V58 HydrophobicContact CE1-CB 4.48Å; Y9-V58 HydrophobicContact CE1-CG1 3.25Å; Y9-V58 HydrophobicContact CE2-CG1 4.22Å; Y9-V58 WeakPolarHBondContact OH-CG1 3.5Å; Y9-R63 WeakPolarHBondContact OH-CD 3.48Å; Y9-R63 WeakPolarHBondContact OH-CG 3.47Å |
| 10 | P | 85.8 | Confident | 68.3 | Low | 23 Ų | 23 | 85.8 Ų | 85.8 | 15% | 0.149 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -57.3 | -39.7 | 176.5 | -27.7 | 36.7 | 0 | 0 | 0 | 114.3 | Y14 F42 I207 | P10-Y14 WeakPolarHBondContact O-CB 2.98Å; P10-Y14 PolarHBondContact O-N 3.44Å; P10-F42 HydrophobicContact CB-CD1 3.8Å; P10-F42 HydrophobicContact CB-CE1 4.1Å; P10-F42 HydrophobicContact CB-CG 4.09Å; P10-F42 HydrophobicContact CG-CD1 4.37Å; P10-I207 HydrophobicContact CB-CD1 3.94Å |
| 11 | Q | 87.6 | Confident | 69.4 | Low | 43 Ų | 43 | 82.7 Ų | 82.7 | 20% | 0.201 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -70.5 | -40.1 | -178 | -168.8 | 67 | 22.8 | 0 | 0 | 111.6 | S8 Y9 Y14 K15 | S8-Q11 PolarHBondContact O-N 3.31Å; Y9-Q11 VanDerWaalsContact C-N 3.33Å; Y9-Q11 PolarHBondContact O-N 3.34Å; Q11-Y14 PolarHBondContact O-N 3.48Å; Q11-K15 WeakPolarHBondContact O-CG 3.4Å; Q11-K15 PolarHBondContact O-N 3Å |
| 12 | D | 89.2 | Confident | 72.4 | Confident | 71 Ų | 71 | 79.5 Ų | 79.5 | 38% | 0.38 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -71.1 | -41.5 | 178.3 | -67 | -22.3 | 0 | 0 | 0 | 111.2 | Q7 S8 Y9 Y14 K15 A16 | Q7-D12 PolarHBondContact OE1-OD1 3.17Å; S8-D12 PolarHBondContact O-N 2.95Å; Y9-D12 PolarHBondContact O-N 3.18Å; D12-Y14 VanDerWaalsContact C-N 3.35Å; D12-K15 PolarHBondContact O-N 3.22Å; D12-A16 WeakPolarHBondContact O-CB 3.37Å; D12-A16 PolarHBondContact O-N 3.27Å |
| 13 | A | 91.5 | Very high | 75.6 | Confident | 2 Ų | 2 | 79.2 Ų | 79.2 | 2% | 0.017 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y9 A16 L17 F42 L86 | Y9-A13 HydrophobicContact CE1-CB 4.24Å; Y9-A13 HydrophobicContact CE2-CB 4.5Å; Y9-A13 VanDerWaalsContact O-CB 3.26Å; Y9-A13 WeakPolarHBondContact O-CB 3.47Å; Y9-A13 PolarHBondContact O-N 3.12Å; A13-A16 PolarHBondContact O-N 3.19Å; A13-L17 VanDerWaalsContact O-CG 3.26Å; A13-L17 WeakPolarHBondContact O-CG 3.43Å; A13-L17 PolarHBondContact O-N 3.26Å; A13-F42 HydrophobicContact CB-CE1 4.25Å; A13-F42 HydrophobicContact CB-CZ 3.63Å; A13-L86 HydrophobicContact CB-CD1 4.11Å; A13-L86 HydrophobicContact CB-CD2 4.02Å |
| 14 | Y | 93.9 | Very high | 78.5 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.8 | -55.4 | 173.6 | 179 | -103.7 | 0 | 0 | 0 | 111.3 | P10 Q11 D12 A16 L17 I18 V44 S204 E206 I207 P208 | P10-Y14 WeakPolarHBondContact O-CB 2.98Å; P10-Y14 PolarHBondContact O-N 3.44Å; Q11-Y14 PolarHBondContact O-N 3.48Å; D12-Y14 VanDerWaalsContact C-N 3.35Å; Y14-A16 PolarHBondContact O-N 3.42Å; Y14-L17 WeakPolarHBondContact O-CB 2.74Å; Y14-L17 PolarHBondContact O-N 2.97Å; Y14-I18 HydrophobicContact CD1-CD1 4.03Å; Y14-I18 HydrophobicContact CD1-CG1 4.21Å; Y14-I18 HydrophobicContact CE1-CD1 3.39Å; Y14-I18 HydrophobicContact CE1-CG1 3.95Å; Y14-I18 HydrophobicContact CE2-CG2 3.98Å; Y14-I18 VanDerWaalsContact O-CG1 3.23Å; Y14-I18 WeakPolarHBondContact O-CG1 3.25Å; Y14-I18 PolarHBondContact O-N 2.79Å; Y14-V44 WeakPolarHBondContact CE2-O 3.28Å; Y14-S204 WeakPolarHBondContact CE1-O 3.14Å; Y14-S204 PolarHBondContact OH-O 3.02Å; Y14-E206 WeakPolarHBondContact CE1-O 3.44Å; Y14-E206 PolarHBondContact OH-O 2.95Å; Y14-I207 HydrophobicContact CD1-CG1 4.04Å; Y14-I207 HydrophobicContact CD2-CG1 3.92Å; Y14-I207 HydrophobicContact CG-CG1 3.6Å; Y14-P208 VanDerWaalsContact CE2-CD 3.44Å |
| 15 | K | 93.1 | Very high | 81.6 | Confident | 85 Ų | 85 | 66.2 Ų | 66.2 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.5 | -37.9 | 178.3 | -73.6 | 172.9 | -176.4 | 170.5 | 0 | 112.6 | Q11 D12 R19 | Q11-K15 WeakPolarHBondContact O-CG 3.4Å; Q11-K15 PolarHBondContact O-N 3Å; D12-K15 PolarHBondContact O-N 3.22Å; K15-R19 PolarHBondContact O-N 3.23Å |
| 16 | A | 92.9 | Very high | 84.2 | Confident | 36 Ų | 36 | 61.2 Ų | 61.2 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D12 A13 Y14 R19 L86 | D12-A16 WeakPolarHBondContact O-CB 3.37Å; D12-A16 PolarHBondContact O-N 3.27Å; A13-A16 PolarHBondContact O-N 3.19Å; Y14-A16 PolarHBondContact O-N 3.42Å; A16-R19 WeakPolarHBondContact O-CB 3.43Å; A16-R19 PolarHBondContact O-N 3.45Å; A16-L86 HydrophobicContact CB-CD1 4.22Å |
| 17 | L | 94.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.2 | -37.3 | -179.6 | -72.6 | 165.1 | 0 | 0 | 0 | 113.1 | A13 Y14 F42 V44 M54 A56 V65 N82 A83 L86 | A13-L17 VanDerWaalsContact O-CG 3.26Å; A13-L17 WeakPolarHBondContact O-CG 3.43Å; A13-L17 PolarHBondContact O-N 3.26Å; Y14-L17 WeakPolarHBondContact O-CB 2.74Å; Y14-L17 PolarHBondContact O-N 2.97Å; L17-F42 HydrophobicContact CD1-CE2 4.39Å; L17-F42 HydrophobicContact CD1-CZ 4.43Å; L17-V44 HydrophobicContact CB-CG1 3.89Å; L17-V44 HydrophobicContact CD1-CG1 4.07Å; L17-V44 HydrophobicContact CD1-CG2 3.58Å; L17-M54 HydrophobicContact CD2-CE 4.1Å; L17-A56 HydrophobicContact CD1-CB 3.73Å; L17-V65 HydrophobicContact CD2-CG2 4.12Å; L17-N82 VanDerWaalsContact O-CB 3.23Å; L17-N82 WeakPolarHBondContact O-CB 3.24Å; L17-N82 PolarHBondContact O-ND2 3.46Å; L17-A83 HydrophobicContact CD2-CB 3.91Å; L17-L86 HydrophobicContact CD1-CD2 3.82Å; L17-L86 HydrophobicContact CD2-CB 4.39Å; L17-L86 HydrophobicContact CD2-CD2 3.84Å; L17-L86 HydrophobicContact CG-CD2 3.71Å |
| 18 | I | 94.8 | Very high | 88.3 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 4.4 | -178.5 | 59.7 | 148.5 | 0 | 0 | 0 | 114.2 | Y14 G20 I21 V44 I203 S204 | Y14-I18 HydrophobicContact CD1-CD1 4.03Å; Y14-I18 HydrophobicContact CD1-CG1 4.21Å; Y14-I18 HydrophobicContact CE1-CD1 3.39Å; Y14-I18 HydrophobicContact CE1-CG1 3.95Å; Y14-I18 HydrophobicContact CE2-CG2 3.98Å; Y14-I18 VanDerWaalsContact O-CG1 3.23Å; Y14-I18 WeakPolarHBondContact O-CG1 3.25Å; Y14-I18 PolarHBondContact O-N 2.79Å; I18-G20 PolarHBondContact O-N 2.83Å; I18-I21 WeakPolarHBondContact O-CB 3.38Å; I18-I21 PolarHBondContact O-N 3.25Å; I18-V44 HydrophobicContact CG2-CG1 4.3Å; I18-I203 HydrophobicContact CB-CG2 3.64Å; I18-I203 HydrophobicContact CD1-CG2 3.64Å; I18-I203 HydrophobicContact CG1-CG2 4.26Å; I18-I203 HydrophobicContact CG2-CG2 3.56Å; I18-S204 WeakPolarHBondContact CD1-O 3.4Å |
| 19 | R | 93.5 | Very high | 88.8 | Confident | 151 Ų | 151 | 61.1 Ų | 61.1 | 57% | 0.57 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 122.5 | -174.5 | -175.4 | -178.8 | 64 | 179.6 | -1 | 111.6 | K15 A16 I21 N82 | K15-R19 PolarHBondContact O-N 3.23Å; A16-R19 WeakPolarHBondContact O-CB 3.43Å; A16-R19 PolarHBondContact O-N 3.45Å; R19-I21 PolarHBondContact O-N 3.33Å; R19-N82 PolarHBondContact N-ND2 2.75Å; R19-N82 PolarHBondContact O-ND2 3.21Å |
| 20 | G | 92 | Very high | 89.2 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 88% | 0.876 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 6.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | I18 | I18-G20 PolarHBondContact O-N 2.83Š|
| 21 | I | 92.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 11% | 0.113 | 33% | 0.326 | C | S | . | . | trans | -107.7 | 117.1 | -179.6 | -56 | 174.8 | 0 | 0 | 0 | 108.1 | I18 R19 E23 V24 A78 L79 N82 I203 | I18-I21 WeakPolarHBondContact O-CB 3.38Å; I18-I21 PolarHBondContact O-N 3.25Å; R19-I21 PolarHBondContact O-N 3.33Å; I21-E23 WeakPolarHBondContact CG2-O 3.3Å; I21-V24 HydrophobicContact CG2-CG2 3.71Å; I21-A78 HydrophobicContact CD1-CB 4.01Å; I21-A78 HydrophobicContact CG1-CB 4.13Å; I21-L79 HydrophobicContact CD1-CB 4.41Å; I21-L79 HydrophobicContact CD1-CD2 3.48Å; I21-L79 VanDerWaalsContact CD1-CD2 3.48Å; I21-L79 HydrophobicContact CD1-CG 3.79Å; I21-N82 WeakPolarHBondContact CD1-ND2 3.36Å; I21-I203 HydrophobicContact CG2-CG1 4.08Å | ||
| 22 | Q | 91.3 | Very high | 89.8 | Confident | 177 Ų | 177 | 57.7 Ų | 57.7 | 83% | 0.827 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -93.4 | -27 | 175.9 | -66.3 | -177.3 | -10.4 | 0 | 0 | 112.1 | I203 | Q22-I203 PolarHBondContact O-N 2.96Š|
| 23 | E | 92.1 | Very high | 90 | Very high | 97 Ų | 97 | 54.3 Ų | 54.3 | 45% | 0.453 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 144 | -172.9 | -175.3 | 176.6 | 62.3 | 0 | 0 | 109.3 | I21 K200 L201 | I21-E23 WeakPolarHBondContact CG2-O 3.3Å; E23-K200 HydrophobicContact CG-CG 3.99Å; E23-K200 WeakPolarHBondContact OE1-CE 3.29Å; E23-K200 IonicContact OE1-NZ 3.34Å; E23-K200 PolarHBondContact OE1-NZ 3.02Å; E23-K200 WeakPolarHBondContact OE2-CE 3.5Å; E23-K200 WeakPolarHBondContact OE2-CG 3.43Å; E23-L201 CarbonylContact C-O 3.31Å; E23-L201 VanDerWaalsContact CA-O 3.31Å; E23-L201 WeakPolarHBondContact CA-O 3.26Å |
| 24 | V | 90.2 | Very high | 90.2 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115.2 | 173.4 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | I21 L26 L79 L201 I203 | I21-V24 HydrophobicContact CG2-CG2 3.71Å; V24-L26 HydrophobicContact CG1-CD1 4.5Å; V24-L26 HydrophobicContact CG1-CD2 3.61Å; V24-L26 HydrophobicContact CG1-CG 3.85Å; V24-L79 HydrophobicContact CB-CD1 4.34Å; V24-L79 HydrophobicContact CG1-CD1 3.58Å; V24-L79 HydrophobicContact CG2-CD1 3.71Å; V24-L79 HydrophobicContact CG2-CD2 4.23Å; V24-L79 HydrophobicContact CG2-CG 4.14Å; V24-L201 PolarHBondContact N-O 3.29Å; V24-L201 PolarHBondContact O-N 3.37Å; V24-I203 HydrophobicContact CB-CD1 4.39Å; V24-I203 HydrophobicContact CG2-CD1 3.66Å; V24-I203 HydrophobicContact CG2-CG1 3.82Å |
| 25 | D | 89.6 | Confident | 90.2 | Very high | 61 Ų | 61 | 54.3 Ų | 54.3 | 33% | 0.326 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 112.3 | 174.4 | -167 | -15.2 | 0 | 0 | 0 | 109.1 | Q27 H28 K200 | D25-Q27 WeakPolarHBondContact OD1-CB 3.35Å; D25-Q27 PolarHBondContact OD1-N 3.35Å; D25-H28 PolarHBondContact O-NE2 3.44Å; D25-H28 VanDerWaalsContact O-NE2 3.12Å; D25-K200 HydrophobicContact CB-CG 4.39Å |
| 26 | L | 88 | Confident | 90.3 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | trans | -106.3 | 3.5 | 175.5 | -58.6 | 178.9 | 0 | 0 | 0 | 112.2 | V24 H28 V45 L53 Y72 A198 E199 L201 | V24-L26 HydrophobicContact CG1-CD1 4.5Å; V24-L26 HydrophobicContact CG1-CD2 3.61Å; V24-L26 HydrophobicContact CG1-CG 3.85Å; L26-H28 PolarHBondContact O-N 2.94Å; L26-V45 HydrophobicContact CD1-CG1 4.17Å; L26-L53 HydrophobicContact CD1-CB 4.01Å; L26-L53 HydrophobicContact CD1-CD1 3.39Å; L26-L53 HydrophobicContact CD1-CG 4.35Å; L26-Y72 HydrophobicContact CD1-CE2 4.42Å; L26-Y72 HydrophobicContact CD2-CD1 4.26Å; L26-Y72 HydrophobicContact CD2-CD2 4.23Å; L26-Y72 HydrophobicContact CD2-CE1 4.03Å; L26-Y72 HydrophobicContact CD2-CE2 3.98Å; L26-Y72 HydrophobicContact CD2-CG 4.37Å; L26-A198 WeakPolarHBondContact O-CB 3.3Å; L26-E199 WeakPolarHBondContact CB-O 3.44Å; L26-E199 PolarHBondContact N-O 3.45Å; L26-L201 HydrophobicContact CD1-CD1 4.08Å | ||
| 27 | Q | 84.3 | Confident | 90.3 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 57% | 0.57 | 27% | 0.273 | S | S | * | . | trans | -75.5 | 50.5 | -176 | -58.1 | -170.7 | -53.7 | 0 | 0 | 112.4 | D25 K200 | D25-Q27 WeakPolarHBondContact OD1-CB 3.35Å; D25-Q27 PolarHBondContact OD1-N 3.35Å; Q27-K200 HydrophobicContact CG-CB 4.32Å | ||
| 28 | H | 77.4 | Confident | 90.1 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -94.4 | 176.4 | 175.5 | -55.1 | -41.6 | 0 | 0 | 0 | 110.2 | D25 L26 S30 L75 | D25-H28 PolarHBondContact O-NE2 3.44Å; D25-H28 VanDerWaalsContact O-NE2 3.12Å; L26-H28 PolarHBondContact O-N 2.94Å; H28-S30 PolarHBondContact O-N 2.85Å; H28-L75 HydrophobicContact CB-CD1 3.84Å |
| 29 | S | 73.6 | Confident | 89.7 | Confident | 126 Ų | 126 | 50.2 Ų | 50.2 | 88% | 0.881 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -69.6 | 7.9 | 176.7 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 30 | S | 85.8 | Confident | 89.3 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | trans | -102.1 | 134.7 | -177.1 | -61.7 | 0 | 0 | 0 | 0 | 110.3 | H28 P32 T71 | H28-S30 PolarHBondContact O-N 2.85Å; S30-P32 WeakPolarHBondContact O-CD 3.47Å; S30-T71 VanDerWaalsContact CB-OG1 3.25Å; S30-T71 WeakPolarHBondContact CB-OG1 3.48Å; S30-T71 WeakPolarHBondContact OG-CG2 3.49Å; S30-T71 PolarHBondContact OG-OG1 3.14Å | ||
| 31 | V | 91.1 | Very high | 89.4 | Confident | 66 Ų | 66 | 42.8 Ų | 42.8 | 40% | 0.4 | 23% | 0.23 | S | C | . | . | trans | -104.4 | 106 | -179.8 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | H69 W163 Y195 | V31-H69 PolarHBondContact O-CD2 3.26Å; V31-H69 VanDerWaalsContact O-CD2 3.23Å; V31-W163 HydrophobicContact CB-CZ2 4.18Å; V31-W163 PolarHBondContact O-NE1 3.13Å; V31-Y195 HydrophobicContact CG1-CD1 3.63Å; V31-Y195 HydrophobicContact CG1-CE1 4.38Å; V31-Y195 HydrophobicContact CG1-CG 4.46Å | ||
| 32 | P | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 167 | -179.5 | 29.4 | -33.5 | 0 | 0 | 0 | 111.8 | S30 L53 S68 H69 Y72 G196 | S30-P32 WeakPolarHBondContact O-CD 3.47Å; P32-L53 HydrophobicContact CB-CD2 4.1Å; P32-L53 HydrophobicContact CG-CD2 3.92Å; P32-S68 VanDerWaalsContact CA-O 3.31Å; P32-S68 WeakPolarHBondContact CA-O 3.39Å; P32-S68 WeakPolarHBondContact CB-OG 3.22Å; P32-H69 HydrophobicContact CB-CB 4.34Å; P32-Y72 HydrophobicContact CB-CE2 3.9Å; P32-Y72 WeakPolarHBondContact CD-OH 3.39Å; P32-Y72 HydrophobicContact CG-CE2 4.42Å; P32-Y72 VanDerWaalsContact CG-OH 3.3Å; P32-Y72 WeakPolarHBondContact CG-OH 3.48Å; P32-G196 WeakPolarHBondContact CD-O 3.49Å; P32-G196 WeakPolarHBondContact CG-O 3.26Å; P32-G196 PolarHBondContact O-N 3Å |
| 33 | C | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 160.9 | 162.1 | 69.3 | 0 | 0 | 0 | 0 | 111.9 | S68 Q161 T192 Q194 | C33-S68 PolarHBondContact N-O 3.15Å; C33-S68 WeakPolarHBondContact O-CB 3.34Å; C33-Q161 HydrophobicContact CB-CB 4.09Å; C33-T192 WeakPolarHBondContact CB-O 3.5Å; C33-Q194 CarbonylContact C-O 3.57Å; C33-Q194 VanDerWaalsContact CA-O 3.25Å; C33-Q194 WeakPolarHBondContact CA-O 3.23Å; C33-Q194 WeakPolarHBondContact CB-O 3.47Å |
| 34 | N | 94.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.011 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 142.1 | 166.5 | -175 | 29.8 | 0 | 0 | 0 | 110.5 | H51 I52 T192 Q194 | N34-H51 HydrophobicContact CB-CB 4.32Å; N34-H51 VanDerWaalsContact OD1-CA 3.25Å; N34-H51 WeakPolarHBondContact OD1-CA 3.42Å; N34-I52 PolarHBondContact OD1-N 2.91Å; N34-T192 WeakPolarHBondContact O-CB 3.45Å; N34-T192 WeakPolarHBondContact O-CG2 3.45Å; N34-T192 PolarHBondContact O-N 3.02Å; N34-T192 PolarHBondContact O-OG1 2.87Å; N34-Q194 HydrophobicContact CB-CB 4.13Å; N34-Q194 HydrophobicContact CB-CG 4.22Å; N34-Q194 PolarHBondContact N-O 3.13Å; N34-Q194 PolarHBondContact ND2-OE1 3.32Å |
| 35 | L | 95.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 141.2 | 171.2 | -57.2 | 177.9 | 0 | 0 | 0 | 110.7 | I52 A55 V66 I189 Y190 F191 | L35-I52 HydrophobicContact CB-CB 4.12Å; L35-I52 HydrophobicContact CB-CG2 4.03Å; L35-I52 WeakPolarHBondContact CB-O 3.4Å; L35-I52 HydrophobicContact CD1-CG2 4.41Å; L35-I52 WeakPolarHBondContact CG-O 3.33Å; L35-I52 PolarHBondContact N-O 2.87Å; L35-A55 HydrophobicContact CD1-CB 3.99Å; L35-V66 HydrophobicContact CD1-CB 4.36Å; L35-V66 HydrophobicContact CD1-CG1 4Å; L35-V66 HydrophobicContact CD2-CG1 4.19Å; L35-I189 HydrophobicContact CD1-CG2 4.3Å; L35-Y190 CarbonylContact C-O 3.53Å; L35-Y190 WeakPolarHBondContact CA-O 3.46Å; L35-F191 HydrophobicContact CD2-CB 4.43Å; L35-F191 HydrophobicContact CD2-CD1 3.56Å; L35-F191 HydrophobicContact CD2-CE1 3.99Å; L35-F191 HydrophobicContact CD2-CG 4.01Å |
| 36 | V | 93.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 135.4 | 172.5 | 165.9 | 0 | 0 | 0 | 0 | 109.5 | Y190 T192 P250 L251 | V36-Y190 PolarHBondContact N-O 3.3Å; V36-Y190 PolarHBondContact O-N 3.3Å; V36-T192 HydrophobicContact CB-CG2 4.02Å; V36-T192 HydrophobicContact CG2-CG2 3.52Å; V36-P250 HydrophobicContact CG1-CB 3.66Å; V36-P250 HydrophobicContact CG1-CG 3.8Å; V36-L251 HydrophobicContact CG1-CD2 4.1Å |
| 37 | L | 92.8 | Very high | 90.2 | Very high | 20 Ų | 20 | 26.7 Ų | 26.7 | 11% | 0.105 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 137.6 | -172.7 | -52.1 | -176.7 | 0 | 0 | 0 | 112 | A41 F42 P43 I52 A55 G188 I189 P250 | L37-A41 HydrophobicContact CB-CB 4.11Å; L37-A41 HydrophobicContact CD2-CB 4.08Å; L37-A41 HydrophobicContact CG-CB 4.5Å; L37-F42 VanDerWaalsContact CD1-C 3.48Å; L37-P43 HydrophobicContact CD1-CB 4.1Å; L37-P43 HydrophobicContact CD1-CG 4.41Å; L37-I52 HydrophobicContact CD1-CD1 3.73Å; L37-I52 HydrophobicContact CD1-CG2 4.38Å; L37-I52 HydrophobicContact CG-CD1 3.83Å; L37-A55 HydrophobicContact CD1-CB 4.32Å; L37-A55 HydrophobicContact CD2-CB 3.5Å; L37-A55 VanDerWaalsContact CD2-CB 3.5Å; L37-G188 CarbonylContact C-O 3.47Å; L37-G188 VanDerWaalsContact CA-O 3.29Å; L37-G188 WeakPolarHBondContact CA-O 3.31Å; L37-I189 HydrophobicContact CD2-CB 4.35Å; L37-I189 HydrophobicContact CD2-CG1 4Å; L37-I189 HydrophobicContact CD2-CG2 4.03Å; L37-P250 VanDerWaalsContact O-CG 3.23Å; L37-P250 WeakPolarHBondContact O-CG 3.29Å |
| 38 | T | 90.9 | Very high | 90.5 | Very high | 17 Ų | 17 | 24 Ų | 24 | 10% | 0.104 | 15% | 0.147 | C | C | . | . | trans | -134.5 | 170.5 | 171.2 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | D40 A41 G188 Y190 P250 L251 | T38-D40 PolarHBondContact O-N 3.16Å; T38-A41 WeakPolarHBondContact O-CB 3.5Å; T38-A41 PolarHBondContact O-N 3.01Å; T38-G188 PolarHBondContact N-O 2.96Å; T38-G188 VanDerWaalsContact OG1-CA 3.31Å; T38-G188 WeakPolarHBondContact OG1-CA 3.25Å; T38-Y190 HydrophobicContact CG2-CE2 4.45Å; T38-P250 HydrophobicContact CG2-CG 3.82Å; T38-L251 HydrophobicContact CG2-CB 4.36Å; T38-L251 HydrophobicContact CG2-CD1 3.7Å; T38-L251 HydrophobicContact CG2-CG 3.69Å | ||
| 39 | G | 86.1 | Confident | 91 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -127.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N460 | G39-N460 PolarHBondContact O-ND2 3.13Š|
| 40 | D | 86.9 | Confident | 91.7 | Very high | 78 Ų | 78 | 18.1 Ų | 18.1 | 42% | 0.417 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 4.9 | -173.8 | -57.1 | -41.5 | 0 | 0 | 0 | 113.6 | T38 | T38-D40 PolarHBondContact O-N 3.16Š|
| 41 | A | 92.9 | Very high | 92 | Very high | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.017 | 11% | 0.106 | C | C | . | . | trans | -70.4 | 145.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L37 T38 A56 I189 | L37-A41 HydrophobicContact CB-CB 4.11Å; L37-A41 HydrophobicContact CD2-CB 4.08Å; L37-A41 HydrophobicContact CG-CB 4.5Å; T38-A41 WeakPolarHBondContact O-CB 3.5Å; T38-A41 PolarHBondContact O-N 3.01Å; A41-A56 WeakPolarHBondContact CA-O 3.35Å; A41-I189 HydrophobicContact CB-CD1 4.44Å; A41-I189 HydrophobicContact CB-CG1 3.67Å | ||
| 42 | F | 93.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147.9 | 179.9 | 66.2 | -87.9 | 0 | 0 | 0 | 112.5 | P10 A13 L17 L37 V44 A55 A56 I207 I461 | P10-F42 HydrophobicContact CB-CD1 3.8Å; P10-F42 HydrophobicContact CB-CE1 4.1Å; P10-F42 HydrophobicContact CB-CG 4.09Å; P10-F42 HydrophobicContact CG-CD1 4.37Å; A13-F42 HydrophobicContact CB-CE1 4.25Å; A13-F42 HydrophobicContact CB-CZ 3.63Å; L17-F42 HydrophobicContact CD1-CE2 4.39Å; L17-F42 HydrophobicContact CD1-CZ 4.43Å; L37-F42 VanDerWaalsContact CD1-C 3.48Å; F42-V44 HydrophobicContact CD2-CG2 4.41Å; F42-V44 HydrophobicContact CE2-CG2 4.07Å; F42-A55 WeakPolarHBondContact O-CA 3.31Å; F42-A56 VanDerWaalsContact CD1-O 3.32Å; F42-A56 WeakPolarHBondContact CD1-O 3.27Å; F42-A56 HydrophobicContact CE1-CB 3.94Å; F42-A56 HydrophobicContact CE2-CB 4.04Å; F42-A56 HydrophobicContact CZ-CB 3.6Å; F42-A56 PolarHBondContact N-O 2.78Å; F42-A56 PolarHBondContact O-N 3.39Å; F42-I207 HydrophobicContact CD2-CD1 4.19Å; F42-I207 HydrophobicContact CD2-CG1 4.48Å; F42-I461 HydrophobicContact CB-CD1 4.24Å; F42-I461 HydrophobicContact CB-CG1 3.64Å |
| 43 | P | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 144.4 | 178.6 | 33.3 | -35.2 | 0 | 0 | 0 | 110.6 | L37 M46 I52 I207 P208 | L37-P43 HydrophobicContact CD1-CB 4.1Å; L37-P43 HydrophobicContact CD1-CG 4.41Å; P43-M46 HydrophobicContact CB-CE 3.95Å; P43-M46 HydrophobicContact CG-CE 3.89Å; P43-I52 HydrophobicContact CB-CD1 4.22Å; P43-I52 HydrophobicContact CB-CG1 4.04Å; P43-I52 HydrophobicContact CB-CG2 3.84Å; P43-I207 HydrophobicContact CG-CG2 3.87Å; P43-P208 HydrophobicContact CB-CG 4.18Å; P43-P208 HydrophobicContact CG-CG 4.19Å; P43-P208 VanDerWaalsContact CG-O 3.29Å; P43-P208 WeakPolarHBondContact CG-O 3.41Å |
| 44 | V | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -45.1 | 177.5 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | Y14 L17 I18 F42 M54 A56 | Y14-V44 WeakPolarHBondContact CE2-O 3.28Å; L17-V44 HydrophobicContact CB-CG1 3.89Å; L17-V44 HydrophobicContact CD1-CG1 4.07Å; L17-V44 HydrophobicContact CD1-CG2 3.58Å; I18-V44 HydrophobicContact CG2-CG1 4.3Å; F42-V44 HydrophobicContact CD2-CG2 4.41Å; F42-V44 HydrophobicContact CE2-CG2 4.07Å; V44-M54 HydrophobicContact CB-CB 4.16Å; V44-M54 HydrophobicContact CB-CG 3.86Å; V44-M54 HydrophobicContact CB-SD 4.1Å; V44-M54 HydrophobicContact CG1-CE 4.23Å; V44-M54 HydrophobicContact CG1-CG 4.24Å; V44-M54 HydrophobicContact CG1-SD 3.79Å; V44-M54 HydrophobicContact CG2-CG 4.35Å; V44-M54 PolarHBondContact N-O 3.46Å; V44-A56 HydrophobicContact CG2-CB 3.9Å |
| 45 | V | 93.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.024 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.4 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | L26 L53 M54 L79 L201 I203 | L26-V45 HydrophobicContact CD1-CG1 4.17Å; V45-L53 HydrophobicContact CG1-CB 4.4Å; V45-L53 PolarHBondContact O-N 3.39Å; V45-M54 HydrophobicContact CB-CB 3.83Å; V45-M54 HydrophobicContact CG2-CB 3.88Å; V45-M54 HydrophobicContact CG2-SD 4.07Å; V45-M54 PolarHBondContact N-O 3.31Å; V45-M54 PolarHBondContact O-N 3.16Å; V45-L79 HydrophobicContact CG2-CD1 4.37Å; V45-L201 HydrophobicContact CG1-CD1 3.51Å; V45-I203 HydrophobicContact CG2-CD1 4.38Å |
| 46 | M | 92.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 16 Ų | 16 | 10% | 0.103 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.8 | 179.9 | -173.3 | -172.8 | -67 | 0 | 0 | 109.3 | P43 H51 I52 P208 S210 T213 | P43-M46 HydrophobicContact CB-CE 3.95Å; P43-M46 HydrophobicContact CG-CE 3.89Å; M46-H51 CarbonylContact C-O 3.47Å; M46-H51 VanDerWaalsContact CA-O 3.26Å; M46-H51 WeakPolarHBondContact CA-O 3.39Å; M46-H51 WeakPolarHBondContact CG-O 3.27Å; M46-I52 HydrophobicContact CE-CD1 4.39Å; M46-I52 HydrophobicContact CE-CG1 3.87Å; M46-I52 HydrophobicContact CG-CG1 4.48Å; M46-P208 HydrophobicContact CB-CB 3.83Å; M46-P208 HydrophobicContact CB-CG 3.98Å; M46-P208 WeakPolarHBondContact CE-O 3.41Å; M46-S210 VanDerWaalsContact SD-CB 3.57Å; M46-T213 HydrophobicContact CE-CG2 3.54Å; M46-T213 HydrophobicContact SD-CG2 3.7Å |
| 47 | N | 91.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 15.7 Ų | 15.7 | 4% | 0.037 | 9% | 0.089 | C | C | . | . | trans | -92.1 | 176.7 | -179.8 | 86.8 | -8 | 0 | 0 | 0 | 113.4 | Q49 G50 H51 L53 E197 E199 L201 | N47-Q49 PolarHBondContact O-N 3.48Å; N47-Q49 WeakPolarHBondContact OD1-CA 3.49Å; N47-Q49 WeakPolarHBondContact OD1-CB 3.38Å; N47-Q49 PolarHBondContact OD1-N 3.2Å; N47-G50 PolarHBondContact O-N 2.86Å; N47-G50 PolarHBondContact OD1-N 3.42Å; N47-G50 VanDerWaalsContact OD1-N 3.15Å; N47-H51 PolarHBondContact N-O 2.6Å; N47-H51 PolarHBondContact ND2-ND1 3.27Å; N47-H51 VanDerWaalsContact ND2-ND1 3.11Å; N47-H51 WeakPolarHBondContact OD1-CB 3.39Å; N47-H51 PolarHBondContact OD1-N 2.84Å; N47-L53 HydrophobicContact CB-CD1 4.07Å; N47-E197 WeakPolarHBondContact ND2-CB 3.43Å; N47-E197 PolarHBondContact ND2-O 2.96Å; N47-E199 HydrophobicContact CB-CG 4.4Å; N47-E199 PolarHBondContact ND2-OE1 3.17Å; N47-L201 HydrophobicContact CB-CD1 4.15Å; N47-L201 HydrophobicContact CB-CD2 4.02Å | ||
| 48 | S | 89.1 | Confident | 92.5 | Very high | 65 Ų | 65 | 17 Ų | 17 | 46% | 0.455 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.8 | -178.8 | 72.7 | 0 | 0 | 0 | 0 | 114.9 | E199 K212 | S48-E199 VanDerWaalsContact CB-OE2 3.27Å; S48-E199 WeakPolarHBondContact CB-OE2 3.49Å; S48-E199 PolarHBondContact N-OE1 2.61Å; S48-E199 PolarHBondContact N-OE2 2.69Å; S48-E199 VanDerWaalsContact OG-CD 3.25Å; S48-E199 PolarHBondContact OG-OE1 2.92Å; S48-E199 PolarHBondContact OG-OE2 2.71Å; S48-E199 VanDerWaalsContact OG-OE2 3.08Å; S48-K212 PolarHBondContact O-NZ 2.95Å; S48-K212 VanDerWaalsContact O-NZ 3.13Å |
| 49 | Q | 88.5 | Confident | 92.7 | Very high | 68 Ų | 68 | 17 Ų | 17 | 32% | 0.318 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 2.4 | 173.8 | -53.3 | -51.6 | -27.5 | 0 | 0 | 113.2 | N47 H51 E197 K212 H216 | N47-Q49 PolarHBondContact O-N 3.48Å; N47-Q49 WeakPolarHBondContact OD1-CA 3.49Å; N47-Q49 WeakPolarHBondContact OD1-CB 3.38Å; N47-Q49 PolarHBondContact OD1-N 3.2Å; Q49-H51 VanDerWaalsContact C-N 3.28Å; Q49-H51 PolarHBondContact O-N 3.01Å; Q49-E197 VanDerWaalsContact CG-OE2 3.25Å; Q49-E197 WeakPolarHBondContact CG-OE2 3.44Å; Q49-K212 WeakPolarHBondContact O-CB 3.37Å; Q49-H216 PolarHBondContact O-NE2 3.06Å |
| 50 | G | 88.9 | Confident | 92.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | 73.4 | 17.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | N47 T213 H216 | N47-G50 PolarHBondContact O-N 2.86Å; N47-G50 PolarHBondContact OD1-N 3.42Å; N47-G50 VanDerWaalsContact OD1-N 3.15Å; G50-T213 WeakPolarHBondContact O-CG2 3.28Å; G50-H216 PolarHBondContact O-CD2 2.83Å | ||
| 51 | H | 92.4 | Very high | 93.2 | Very high | 18 Ų | 18 | 24.4 Ų | 24.4 | 8% | 0.083 | 13% | 0.133 | C | C | . | . | trans | -74.8 | 131.4 | 169.2 | -55.3 | 131.9 | 0 | 0 | 0 | 109.6 | N34 M46 N47 Q49 L53 Q194 E197 H216 | N34-H51 HydrophobicContact CB-CB 4.32Å; N34-H51 VanDerWaalsContact OD1-CA 3.25Å; N34-H51 WeakPolarHBondContact OD1-CA 3.42Å; M46-H51 CarbonylContact C-O 3.47Å; M46-H51 VanDerWaalsContact CA-O 3.26Å; M46-H51 WeakPolarHBondContact CA-O 3.39Å; M46-H51 WeakPolarHBondContact CG-O 3.27Å; N47-H51 PolarHBondContact N-O 2.6Å; N47-H51 PolarHBondContact ND2-ND1 3.27Å; N47-H51 VanDerWaalsContact ND2-ND1 3.11Å; N47-H51 WeakPolarHBondContact OD1-CB 3.39Å; N47-H51 PolarHBondContact OD1-N 2.84Å; Q49-H51 VanDerWaalsContact C-N 3.28Å; Q49-H51 PolarHBondContact O-N 3.01Å; H51-L53 HydrophobicContact CB-CD2 4.17Å; H51-Q194 PolarHBondContact NE2-NE2 2.92Å; H51-E197 PolarHBondContact ND1-N 2.84Å; H51-H216 AromaticContact CD2-CD2 3.98Å; H51-H216 AromaticContact CD2-CE1 3.62Å; H51-H216 AromaticContact CD2-NE2 3.45Å; H51-H216 PolarHBondContact CD2-NE2 2.95Å; H51-H216 AromaticContact NE2-CE1 3.52Å; H51-H216 AromaticContact NE2-NE2 3.77Å | ||
| 52 | I | 93.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.8 | 177.8 | -60.4 | 164.3 | 0 | 0 | 0 | 107.7 | N34 L35 L37 P43 M46 M54 A55 | N34-I52 PolarHBondContact OD1-N 2.91Å; L35-I52 HydrophobicContact CB-CB 4.12Å; L35-I52 HydrophobicContact CB-CG2 4.03Å; L35-I52 WeakPolarHBondContact CB-O 3.4Å; L35-I52 HydrophobicContact CD1-CG2 4.41Å; L35-I52 WeakPolarHBondContact CG-O 3.33Å; L35-I52 PolarHBondContact N-O 2.87Å; L37-I52 HydrophobicContact CD1-CD1 3.73Å; L37-I52 HydrophobicContact CD1-CG2 4.38Å; L37-I52 HydrophobicContact CG-CD1 3.83Å; P43-I52 HydrophobicContact CB-CD1 4.22Å; P43-I52 HydrophobicContact CB-CG1 4.04Å; P43-I52 HydrophobicContact CB-CG2 3.84Å; M46-I52 HydrophobicContact CE-CD1 4.39Å; M46-I52 HydrophobicContact CE-CG1 3.87Å; M46-I52 HydrophobicContact CG-CG1 4.48Å; I52-M54 WeakPolarHBondContact CG2-O 3.45Å; I52-A55 HydrophobicContact CG2-CB 4.16Å |
| 53 | L | 94.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -16.2 | -172.7 | -56.1 | -178.4 | 0 | 0 | 0 | 112.5 | L26 P32 V45 N47 H51 S68 L201 | L26-L53 HydrophobicContact CD1-CB 4.01Å; L26-L53 HydrophobicContact CD1-CD1 3.39Å; L26-L53 HydrophobicContact CD1-CG 4.35Å; P32-L53 HydrophobicContact CB-CD2 4.1Å; P32-L53 HydrophobicContact CG-CD2 3.92Å; V45-L53 HydrophobicContact CG1-CB 4.4Å; V45-L53 PolarHBondContact O-N 3.39Å; N47-L53 HydrophobicContact CB-CD1 4.07Å; H51-L53 HydrophobicContact CB-CD2 4.17Å; L53-S68 VanDerWaalsContact CA-OG 3.28Å; L53-S68 WeakPolarHBondContact CA-OG 3.28Å; L53-S68 WeakPolarHBondContact O-CB 3.4Å; L53-S68 PolarHBondContact O-N 2.86Å; L53-S68 PolarHBondContact O-OG 2.88Å; L53-L201 HydrophobicContact CD1-CD1 4.09Å |
| 54 | M | 95.5 | Very high | 93.5 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.015 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 139.2 | 169.4 | -178.5 | -178.8 | -178.2 | 0 | 0 | 108.8 | L17 V44 V45 I52 V65 V66 L67 L79 A83 | L17-M54 HydrophobicContact CD2-CE 4.1Å; V44-M54 HydrophobicContact CB-CB 4.16Å; V44-M54 HydrophobicContact CB-CG 3.86Å; V44-M54 HydrophobicContact CB-SD 4.1Å; V44-M54 HydrophobicContact CG1-CE 4.23Å; V44-M54 HydrophobicContact CG1-CG 4.24Å; V44-M54 HydrophobicContact CG1-SD 3.79Å; V44-M54 HydrophobicContact CG2-CG 4.35Å; V44-M54 PolarHBondContact N-O 3.46Å; V45-M54 HydrophobicContact CB-CB 3.83Å; V45-M54 HydrophobicContact CG2-CB 3.88Å; V45-M54 HydrophobicContact CG2-SD 4.07Å; V45-M54 PolarHBondContact N-O 3.31Å; V45-M54 PolarHBondContact O-N 3.16Å; I52-M54 WeakPolarHBondContact CG2-O 3.45Å; M54-V65 HydrophobicContact CE-CG1 3.34Å; M54-V65 HydrophobicContact CG-CG1 4.47Å; M54-V66 VanDerWaalsContact CA-O 3.27Å; M54-V66 WeakPolarHBondContact CA-O 3.43Å; M54-L67 HydrophobicContact CB-CD2 4.1Å; M54-L67 HydrophobicContact CE-CD2 4.16Å; M54-L67 HydrophobicContact CG-CD2 3.68Å; M54-L67 HydrophobicContact SD-CD2 3.71Å; M54-L79 HydrophobicContact SD-CD1 4.22Å; M54-L79 HydrophobicContact SD-CD2 4.1Å; M54-A83 HydrophobicContact CE-CB 4.32Å |
| 55 | A | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 157.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L35 L37 F42 I52 V66 I189 | L35-A55 HydrophobicContact CD1-CB 3.99Å; L37-A55 HydrophobicContact CD1-CB 4.32Å; L37-A55 HydrophobicContact CD2-CB 3.5Å; L37-A55 VanDerWaalsContact CD2-CB 3.5Å; F42-A55 WeakPolarHBondContact O-CA 3.31Å; I52-A55 HydrophobicContact CG2-CB 4.16Å; A55-V66 PolarHBondContact N-O 3.26Å; A55-V66 PolarHBondContact O-N 3.27Å; A55-I189 HydrophobicContact CB-CD1 4Å; A55-I189 HydrophobicContact CB-CG1 4.28Å; A55-I189 HydrophobicContact CB-CG2 4.12Å |
| 56 | A | 96.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 154.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | L17 A41 F42 V44 I64 V65 | L17-A56 HydrophobicContact CD1-CB 3.73Å; A41-A56 WeakPolarHBondContact CA-O 3.35Å; F42-A56 VanDerWaalsContact CD1-O 3.32Å; F42-A56 WeakPolarHBondContact CD1-O 3.27Å; F42-A56 HydrophobicContact CE1-CB 3.94Å; F42-A56 HydrophobicContact CE2-CB 4.04Å; F42-A56 HydrophobicContact CZ-CB 3.6Å; F42-A56 PolarHBondContact N-O 2.78Å; F42-A56 PolarHBondContact O-N 3.39Å; V44-A56 HydrophobicContact CG2-CB 3.9Å; A56-I64 VanDerWaalsContact CA-O 3.28Å; A56-I64 WeakPolarHBondContact CA-O 3.39Å; A56-V65 HydrophobicContact CB-CG2 4.16Å |
| 57 | S | 95.5 | Very high | 94 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 175.9 | -180 | -167.1 | 0 | 0 | 0 | 0 | 111.2 | I64 A187 | S57-I64 PolarHBondContact N-O 3.04Å; S57-I64 PolarHBondContact O-N 3.08Å; S57-A187 WeakPolarHBondContact CB-O 3.45Å; S57-A187 PolarHBondContact OG-O 3.26Å |
| 58 | V | 93.3 | Very high | 94.2 | Very high | 46 Ų | 46 | 26.4 Ų | 26.4 | 28% | 0.279 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 149.7 | 172.2 | -73.2 | 0 | 0 | 0 | 0 | 110.4 | Y9 G62 R63 | Y9-V58 HydrophobicContact CD1-CG1 4.14Å; Y9-V58 HydrophobicContact CE1-CB 4.48Å; Y9-V58 HydrophobicContact CE1-CG1 3.25Å; Y9-V58 HydrophobicContact CE2-CG1 4.22Å; Y9-V58 WeakPolarHBondContact OH-CG1 3.5Å; V58-G62 WeakPolarHBondContact CA-O 3.42Å; V58-R63 HydrophobicContact CG1-CG 4.36Å |
| 59 | Y | 93.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 24 Ų | 24 | 7% | 0.071 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 122.8 | 168.5 | 179.9 | -112.3 | 0 | 0 | 0 | 110.3 | R61 G62 I147 V150 K151 V186 V354 | Y59-R61 PolarHBondContact O-N 3.36Å; Y59-G62 PolarHBondContact N-O 3.13Å; Y59-G62 VanDerWaalsContact N-O 3.15Å; Y59-G62 PolarHBondContact O-N 2.86Å; Y59-I147 HydrophobicContact CD1-CG2 4.44Å; Y59-I147 HydrophobicContact CE1-CG2 3.59Å; Y59-V150 HydrophobicContact CD1-CG1 4.44Å; Y59-K151 HydrophobicContact CD1-CB 3.97Å; Y59-K151 HydrophobicContact CD1-CG 4.36Å; Y59-K151 HydrophobicContact CE1-CB 3.66Å; Y59-K151 HydrophobicContact CE1-CD 3.98Å; Y59-K151 HydrophobicContact CE1-CG 3.85Å; Y59-V186 HydrophobicContact CD1-CB 4.49Å; Y59-V186 HydrophobicContact CD1-CG2 3.66Å; Y59-V186 HydrophobicContact CD2-CB 4.15Å; Y59-V186 HydrophobicContact CD2-CG2 4.01Å; Y59-V186 WeakPolarHBondContact CD2-O 3.22Å; Y59-V186 HydrophobicContact CE1-CB 4.29Å; Y59-V186 HydrophobicContact CE1-CG2 3.78Å; Y59-V186 HydrophobicContact CE2-CB 3.96Å; Y59-V186 HydrophobicContact CE2-CG2 4.15Å; Y59-V186 HydrophobicContact CG-CB 4.42Å; Y59-V186 HydrophobicContact CG-CG2 3.78Å; Y59-V354 HydrophobicContact CD2-CG1 4.49Å; Y59-V354 HydrophobicContact CE2-CG1 3.67Å |
| 60 | G | 91.7 | Very high | 94.7 | Very high | 55 Ų | 55 | 23.1 Ų | 23.1 | 57% | 0.567 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | -119.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 61 | R | 92.7 | Very high | 94.9 | Very high | 188 Ų | 188 | 25 Ų | 25 | 71% | 0.709 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -9.3 | 174.6 | -63.7 | -171 | -60.1 | -89.8 | 0.1 | 114 | Y59 K151 A152 | Y59-R61 PolarHBondContact O-N 3.36Å; R61-K151 PolarHBondContact N-O 3.01Å; R61-A152 PolarHBondContact NE-O 3.45Å; R61-A152 PolarHBondContact NH2-O 3.08Å |
| 62 | G | 94.3 | Very high | 95 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 175.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V58 Y59 V150 G154 | V58-G62 WeakPolarHBondContact CA-O 3.42Å; Y59-G62 PolarHBondContact N-O 3.13Å; Y59-G62 VanDerWaalsContact N-O 3.15Å; Y59-G62 PolarHBondContact O-N 2.86Å; G62-V150 WeakPolarHBondContact CA-O 3.39Å; G62-V150 PolarHBondContact N-O 3.16Å; G62-G154 WeakPolarHBondContact CA-O 3.4Å |
| 63 | R | 95.5 | Very high | 95 | Very high | 69 Ų | 69 | 24 Ų | 24 | 26% | 0.26 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.9 | -175.9 | -58.8 | 175.4 | -173 | 173.6 | 3.5 | 108.8 | Y9 V58 L86 L87 G154 L156 | Y9-R63 WeakPolarHBondContact OH-CD 3.48Å; Y9-R63 WeakPolarHBondContact OH-CG 3.47Å; V58-R63 HydrophobicContact CG1-CG 4.36Å; R63-L86 VanDerWaalsContact CD-O 3.29Å; R63-L86 WeakPolarHBondContact CD-O 3.35Å; R63-L86 PolarHBondContact NH1-O 2.99Å; R63-L87 VanDerWaalsContact C-CD2 3.41Å; R63-L87 HydrophobicContact CB-CD2 3.65Å; R63-L87 WeakPolarHBondContact O-CD2 3.41Å; R63-G154 PolarHBondContact N-O 3.24Å; R63-L156 PolarHBondContact O-N 2.78Å |
| 64 | I | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134.3 | 179 | -53.9 | -178.8 | 0 | 0 | 0 | 108.8 | A56 S57 V66 V150 L156 A187 | A56-I64 VanDerWaalsContact CA-O 3.28Å; A56-I64 WeakPolarHBondContact CA-O 3.39Å; S57-I64 PolarHBondContact N-O 3.04Å; S57-I64 PolarHBondContact O-N 3.08Å; I64-V66 HydrophobicContact CG2-CG2 3.9Å; I64-V150 HydrophobicContact CD1-CB 4.46Å; I64-V150 HydrophobicContact CD1-CG1 3.72Å; I64-V150 HydrophobicContact CD1-CG2 4.31Å; I64-V150 HydrophobicContact CG1-CG1 3.6Å; I64-V150 HydrophobicContact CG1-CG2 4.29Å; I64-L156 WeakPolarHBondContact CA-O 3.22Å; I64-L156 HydrophobicContact CD1-CD2 4.48Å; I64-L156 HydrophobicContact CG1-CB 4.24Å; I64-L156 HydrophobicContact CG2-CB 4.32Å; I64-L156 HydrophobicContact CG2-CD2 4.21Å; I64-L156 HydrophobicContact CG2-CG 4.4Å; I64-A187 HydrophobicContact CB-CB 4.5Å; I64-A187 HydrophobicContact CD1-CB 3.47Å; I64-A187 VanDerWaalsContact CD1-CB 3.47Å; I64-A187 HydrophobicContact CG1-CB 4.31Å |
| 65 | V | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 130.4 | 170.5 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | L17 M54 A56 A83 L87 L156 L157 I158 | L17-V65 HydrophobicContact CD2-CG2 4.12Å; M54-V65 HydrophobicContact CE-CG1 3.34Å; M54-V65 HydrophobicContact CG-CG1 4.47Å; A56-V65 HydrophobicContact CB-CG2 4.16Å; V65-A83 HydrophobicContact CB-CB 4.29Å; V65-A83 HydrophobicContact CG1-CB 3.92Å; V65-A83 HydrophobicContact CG2-CB 4.22Å; V65-L87 HydrophobicContact CB-CD1 4.35Å; V65-L87 HydrophobicContact CG2-CD1 4.3Å; V65-L87 HydrophobicContact CG2-CD2 3.99Å; V65-L87 HydrophobicContact CG2-CG 4.09Å; V65-L156 PolarHBondContact N-O 3.06Å; V65-L157 HydrophobicContact CB-CD1 3.88Å; V65-L157 HydrophobicContact CG1-CD1 3.77Å; V65-L157 WeakPolarHBondContact O-CA 3.5Å; V65-I158 PolarHBondContact O-N 3.21Å |
| 66 | V | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.6 | -174.8 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | L35 M54 A55 I64 I158 T184 I189 F191 | L35-V66 HydrophobicContact CD1-CB 4.36Å; L35-V66 HydrophobicContact CD1-CG1 4Å; L35-V66 HydrophobicContact CD2-CG1 4.19Å; M54-V66 VanDerWaalsContact CA-O 3.27Å; M54-V66 WeakPolarHBondContact CA-O 3.43Å; A55-V66 PolarHBondContact N-O 3.26Å; A55-V66 PolarHBondContact O-N 3.27Å; I64-V66 HydrophobicContact CG2-CG2 3.9Å; V66-I158 CarbonylContact C-O 3.51Å; V66-I158 WeakPolarHBondContact CA-O 3.41Å; V66-I158 HydrophobicContact CB-CG2 4.23Å; V66-I158 HydrophobicContact CG1-CG2 4.23Å; V66-I158 HydrophobicContact CG2-CG2 3.7Å; V66-T184 HydrophobicContact CG2-CG2 3.77Å; V66-I189 HydrophobicContact CB-CD1 4.27Å; V66-I189 HydrophobicContact CB-CG2 3.83Å; V66-I189 HydrophobicContact CG1-CG2 3.98Å; V66-I189 HydrophobicContact CG2-CB 4.03Å; V66-I189 HydrophobicContact CG2-CD1 3.61Å; V66-I189 HydrophobicContact CG2-CG1 4.42Å; V66-I189 HydrophobicContact CG2-CG2 3.7Å; V66-F191 HydrophobicContact CG1-CE1 3.6Å; V66-F191 HydrophobicContact CG1-CE2 3.83Å; V66-F191 HydrophobicContact CG1-CZ 3.22Å |
| 67 | L | 96.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135 | 172.5 | -62.9 | 167.3 | 0 | 0 | 0 | 109.7 | M54 H69 L73 V80 L157 I158 G159 G160 F191 | M54-L67 HydrophobicContact CB-CD2 4.1Å; M54-L67 HydrophobicContact CE-CD2 4.16Å; M54-L67 HydrophobicContact CG-CD2 3.68Å; M54-L67 HydrophobicContact SD-CD2 3.71Å; L67-H69 PolarHBondContact O-N 3.11Å; L67-H69 VanDerWaalsContact O-N 3.08Å; L67-L73 HydrophobicContact CD1-CD2 3.61Å; L67-L73 HydrophobicContact CD1-CG 4.03Å; L67-V80 HydrophobicContact CD1-CG2 4.45Å; L67-L157 HydrophobicContact CD1-CD1 4.3Å; L67-I158 PolarHBondContact N-O 2.95Å; L67-G159 WeakPolarHBondContact O-CA 3.4Å; L67-G160 PolarHBondContact O-N 3.18Å; L67-F191 WeakPolarHBondContact O-CE1 3.3Å |
| 68 | S | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -70 | 2.2 | -178.3 | 54.3 | 0 | 0 | 0 | 0 | 116.1 | P32 C33 L53 G160 | P32-S68 VanDerWaalsContact CA-O 3.31Å; P32-S68 WeakPolarHBondContact CA-O 3.39Å; P32-S68 WeakPolarHBondContact CB-OG 3.22Å; C33-S68 PolarHBondContact N-O 3.15Å; C33-S68 WeakPolarHBondContact O-CB 3.34Å; L53-S68 VanDerWaalsContact CA-OG 3.28Å; L53-S68 WeakPolarHBondContact CA-OG 3.28Å; L53-S68 WeakPolarHBondContact O-CB 3.4Å; L53-S68 PolarHBondContact O-N 2.86Å; L53-S68 PolarHBondContact O-OG 2.88Å; S68-G160 CarbonylContact C-O 3.47Å; S68-G160 WeakPolarHBondContact CA-O 3.5Å |
| 69 | H | 95.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 6% | 0.06 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -155.7 | 143.4 | 171.7 | -158.7 | -82.9 | 0 | 0 | 0 | 110 | V31 P32 L67 T71 Y72 G160 | V31-H69 PolarHBondContact O-CD2 3.26Å; V31-H69 VanDerWaalsContact O-CD2 3.23Å; P32-H69 HydrophobicContact CB-CB 4.34Å; L67-H69 PolarHBondContact O-N 3.11Å; L67-H69 VanDerWaalsContact O-N 3.08Å; H69-T71 VanDerWaalsContact C-N 3.34Å; H69-T71 PolarHBondContact CE1-OG1 3.23Å; H69-T71 PolarHBondContact ND1-N 3.24Å; H69-T71 PolarHBondContact ND1-OG1 2.95Å; H69-T71 PolarHBondContact O-N 3.35Å; H69-Y72 HydrophobicContact CB-CD1 4.36Å; H69-Y72 HydrophobicContact CB-CD2 3.81Å; H69-Y72 HydrophobicContact CB-CE1 4.28Å; H69-Y72 HydrophobicContact CB-CE2 3.74Å; H69-Y72 HydrophobicContact CB-CG 4.12Å; H69-Y72 PolarHBondContact O-N 3.45Å; H69-G160 PolarHBondContact N-O 3.13Å |
| 70 | E | 94 | Very high | 93.6 | Very high | 51 Ų | 51 | 34.1 Ų | 34.1 | 24% | 0.238 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -31.4 | -178 | 65.2 | -77.3 | 177.1 | 0 | 0 | 113 | Y72 L73 D135 G159 G160 | E70-Y72 PolarHBondContact O-N 2.65Å; E70-L73 VanDerWaalsContact O-CB 3.28Å; E70-L73 WeakPolarHBondContact O-CB 3.39Å; E70-L73 WeakPolarHBondContact O-CG 3.28Å; E70-L73 PolarHBondContact O-N 3.05Å; E70-L73 VanDerWaalsContact O-N 3.17Å; E70-D135 HydrophobicContact CB-CB 3.94Å; E70-G159 WeakPolarHBondContact CB-O 3.04Å; E70-G160 WeakPolarHBondContact OE2-CA 3.17Å |
| 71 | T | 93.3 | Very high | 93.6 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 24% | 0.239 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.1 | 177.3 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | S30 H69 L73 T74 L75 | S30-T71 VanDerWaalsContact CB-OG1 3.25Å; S30-T71 WeakPolarHBondContact CB-OG1 3.48Å; S30-T71 WeakPolarHBondContact OG-CG2 3.49Å; S30-T71 PolarHBondContact OG-OG1 3.14Å; H69-T71 VanDerWaalsContact C-N 3.34Å; H69-T71 PolarHBondContact CE1-OG1 3.23Å; H69-T71 PolarHBondContact ND1-N 3.24Å; H69-T71 PolarHBondContact ND1-OG1 2.95Å; H69-T71 PolarHBondContact O-N 3.35Å; T71-L73 PolarHBondContact O-N 2.94Å; T71-T74 PolarHBondContact O-N 3.24Å; T71-T74 PolarHBondContact O-OG1 3.25Å; T71-L75 WeakPolarHBondContact O-CG 3.48Å; T71-L75 PolarHBondContact O-N 2.95Å |
| 72 | Y | 93.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 25.7 Ų | 25.7 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.1 | -18.9 | 176.2 | -61.8 | -19.7 | 0 | 0 | 0 | 112.8 | L26 P32 H69 E70 T74 C76 | L26-Y72 HydrophobicContact CD1-CE2 4.42Å; L26-Y72 HydrophobicContact CD2-CD1 4.26Å; L26-Y72 HydrophobicContact CD2-CD2 4.23Å; L26-Y72 HydrophobicContact CD2-CE1 4.03Å; L26-Y72 HydrophobicContact CD2-CE2 3.98Å; L26-Y72 HydrophobicContact CD2-CG 4.37Å; P32-Y72 HydrophobicContact CB-CE2 3.9Å; P32-Y72 WeakPolarHBondContact CD-OH 3.39Å; P32-Y72 HydrophobicContact CG-CE2 4.42Å; P32-Y72 VanDerWaalsContact CG-OH 3.3Å; P32-Y72 WeakPolarHBondContact CG-OH 3.48Å; H69-Y72 HydrophobicContact CB-CD1 4.36Å; H69-Y72 HydrophobicContact CB-CD2 3.81Å; H69-Y72 HydrophobicContact CB-CE1 4.28Å; H69-Y72 HydrophobicContact CB-CE2 3.74Å; H69-Y72 HydrophobicContact CB-CG 4.12Å; H69-Y72 PolarHBondContact O-N 3.45Å; E70-Y72 PolarHBondContact O-N 2.65Å; Y72-T74 PolarHBondContact O-N 3.08Å; Y72-C76 WeakPolarHBondContact O-CB 3.25Å; Y72-C76 PolarHBondContact O-N 3.02Å; Y72-C76 VanDerWaalsContact O-N 3.13Å |
| 73 | L | 93.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 25.6 Ų | 25.6 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.1 | -22.6 | 170.1 | -64.8 | 168.2 | 0 | 0 | 0 | 112.8 | L67 E70 T71 M103 V106 V133 L157 | L67-L73 HydrophobicContact CD1-CD2 3.61Å; L67-L73 HydrophobicContact CD1-CG 4.03Å; E70-L73 VanDerWaalsContact O-CB 3.28Å; E70-L73 WeakPolarHBondContact O-CB 3.39Å; E70-L73 WeakPolarHBondContact O-CG 3.28Å; E70-L73 PolarHBondContact O-N 3.05Å; E70-L73 VanDerWaalsContact O-N 3.17Å; T71-L73 PolarHBondContact O-N 2.94Å; L73-M103 HydrophobicContact CD1-CE 3.48Å; L73-M103 VanDerWaalsContact CD1-CE 3.48Å; L73-V106 HydrophobicContact CB-CG2 3.69Å; L73-V106 HydrophobicContact CD1-CG2 4.44Å; L73-V133 HydrophobicContact CD2-CG1 4.01Å; L73-L157 HydrophobicContact CD2-CD1 4.25Å; L73-L157 HydrophobicContact CD2-CD2 3.75Å; L73-L157 HydrophobicContact CD2-CG 3.68Å |
| 74 | T | 91.7 | Very high | 93.6 | Very high | 45 Ų | 45 | 22.3 Ų | 22.3 | 28% | 0.276 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -109.8 | -35.2 | 176.8 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | T71 Y72 V106 N109 | T71-T74 PolarHBondContact O-N 3.24Å; T71-T74 PolarHBondContact O-OG1 3.25Å; Y72-T74 PolarHBondContact O-N 3.08Å; T74-V106 HydrophobicContact CG2-CB 4.42Å; T74-V106 HydrophobicContact CG2-CG2 3.58Å; T74-N109 WeakPolarHBondContact CA-ND2 3.18Å; T74-N109 PolarHBondContact O-ND2 3.48Å |
| 75 | L | 90.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 22.9 Ų | 22.9 | 39% | 0.387 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -80.6 | -18.4 | -174.7 | -62.5 | 172.6 | 0 | 0 | 0 | 113.4 | H28 T71 P77 | H28-L75 HydrophobicContact CB-CD1 3.84Å; T71-L75 WeakPolarHBondContact O-CG 3.48Å; T71-L75 PolarHBondContact O-N 2.95Å; L75-P77 VanDerWaalsContact O-CD 3.24Å; L75-P77 WeakPolarHBondContact O-CD 3.43Å |
| 76 | C | 90.4 | Very high | 93.1 | Very high | 11 Ų | 11 | 23.5 Ų | 23.5 | 7% | 0.074 | 14% | 0.14 | C | C | . | . | trans | -119.5 | 61.9 | -178.1 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | Y72 A78 L79 V80 | Y72-C76 WeakPolarHBondContact O-CB 3.25Å; Y72-C76 PolarHBondContact O-N 3.02Å; Y72-C76 VanDerWaalsContact O-N 3.13Å; C76-A78 VanDerWaalsContact C-N 3.34Å; C76-A78 PolarHBondContact O-N 3.17Å; C76-L79 HydrophobicContact CB-CB 4.17Å; C76-L79 HydrophobicContact CB-CD1 4.05Å; C76-L79 PolarHBondContact O-N 2.97Å; C76-L79 VanDerWaalsContact O-N 3.16Å; C76-V80 WeakPolarHBondContact O-CG2 3.33Å; C76-V80 PolarHBondContact O-N 2.84Å | ||
| 77 | P | 89.5 | Confident | 92.9 | Very high | 85 Ų | 85 | 23.9 Ų | 23.9 | 55% | 0.552 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -60.5 | -37 | -169.2 | 23.7 | -34.4 | 0 | 0 | 0 | 113.9 | L75 V80 D81 | L75-P77 VanDerWaalsContact O-CD 3.24Å; L75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-V80 PolarHBondContact O-N 3.27Å; P77-D81 WeakPolarHBondContact O-CB 3.32Å; P77-D81 PolarHBondContact O-N 3.46Å |
| 78 | A | 89.9 | Confident | 92.5 | Very high | 58 Ų | 58 | 24.5 Ų | 24.5 | 48% | 0.479 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I21 C76 V80 D81 N82 | I21-A78 HydrophobicContact CD1-CB 4.01Å; I21-A78 HydrophobicContact CG1-CB 4.13Å; C76-A78 VanDerWaalsContact C-N 3.34Å; C76-A78 PolarHBondContact O-N 3.17Å; A78-V80 VanDerWaalsContact C-N 3.34Å; A78-D81 PolarHBondContact O-N 3.42Å; A78-N82 PolarHBondContact O-N 2.7Å; A78-N82 VanDerWaalsContact O-N 3.11Å |
| 79 | L | 91.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.2 | -78.4 | 174.8 | 0 | 0 | 0 | 111.2 | I21 V24 V45 M54 C76 A83 | I21-L79 HydrophobicContact CD1-CB 4.41Å; I21-L79 HydrophobicContact CD1-CD2 3.48Å; I21-L79 VanDerWaalsContact CD1-CD2 3.48Å; I21-L79 HydrophobicContact CD1-CG 3.79Å; V24-L79 HydrophobicContact CB-CD1 4.34Å; V24-L79 HydrophobicContact CG1-CD1 3.58Å; V24-L79 HydrophobicContact CG2-CD1 3.71Å; V24-L79 HydrophobicContact CG2-CD2 4.23Å; V24-L79 HydrophobicContact CG2-CG 4.14Å; V45-L79 HydrophobicContact CG2-CD1 4.37Å; M54-L79 HydrophobicContact SD-CD1 4.22Å; M54-L79 HydrophobicContact SD-CD2 4.1Å; C76-L79 HydrophobicContact CB-CB 4.17Å; C76-L79 HydrophobicContact CB-CD1 4.05Å; C76-L79 PolarHBondContact O-N 2.97Å; C76-L79 VanDerWaalsContact O-N 3.16Å; L79-A83 VanDerWaalsContact O-CB 3.26Å; L79-A83 WeakPolarHBondContact O-CB 3.03Å; L79-A83 PolarHBondContact O-N 2.82Å |
| 80 | V | 93.4 | Very high | 91 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | L67 C76 P77 A78 N82 A83 L84 L110 L157 | L67-V80 HydrophobicContact CD1-CG2 4.45Å; C76-V80 WeakPolarHBondContact O-CG2 3.33Å; C76-V80 PolarHBondContact O-N 2.84Å; P77-V80 PolarHBondContact O-N 3.27Å; A78-V80 VanDerWaalsContact C-N 3.34Å; V80-N82 PolarHBondContact O-N 3.34Å; V80-A83 WeakPolarHBondContact O-CB 3.26Å; V80-A83 PolarHBondContact O-N 3.39Å; V80-L84 HydrophobicContact CG1-CD1 3.94Å; V80-L84 HydrophobicContact CG1-CG 4.31Å; V80-L84 WeakPolarHBondContact O-CB 3.14Å; V80-L84 VanDerWaalsContact O-CG 3.26Å; V80-L84 WeakPolarHBondContact O-CG 3.38Å; V80-L84 PolarHBondContact O-N 3.14Å; V80-L110 HydrophobicContact CG1-CD2 4.14Å; V80-L157 HydrophobicContact CG1-CD2 3.93Å |
| 81 | D | 91.9 | Very high | 89.8 | Confident | 55 Ų | 55 | 33.3 Ų | 33.3 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 178.5 | -167 | 83.7 | 0 | 0 | 0 | 112.4 | P77 A78 A83 L84 T85 Y115 | P77-D81 WeakPolarHBondContact O-CB 3.32Å; P77-D81 PolarHBondContact O-N 3.46Å; A78-D81 PolarHBondContact O-N 3.42Å; D81-A83 PolarHBondContact O-N 2.81Å; D81-L84 PolarHBondContact O-N 2.87Å; D81-T85 WeakPolarHBondContact O-CB 3.46Å; D81-T85 PolarHBondContact O-N 3.29Å; D81-T85 PolarHBondContact O-OG1 2.91Å; D81-Y115 PolarHBondContact O-OH 2.9Å; D81-Y115 PolarHBondContact OD1-OH 2.82Å |
| 82 | N | 93.7 | Very high | 88.7 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 174 | -77 | -17.4 | 0 | 0 | 0 | 111.9 | L17 R19 I21 A78 V80 T85 L86 | L17-N82 VanDerWaalsContact O-CB 3.23Å; L17-N82 WeakPolarHBondContact O-CB 3.24Å; L17-N82 PolarHBondContact O-ND2 3.46Å; R19-N82 PolarHBondContact N-ND2 2.75Å; R19-N82 PolarHBondContact O-ND2 3.21Å; I21-N82 WeakPolarHBondContact CD1-ND2 3.36Å; A78-N82 PolarHBondContact O-N 2.7Å; A78-N82 VanDerWaalsContact O-N 3.11Å; V80-N82 PolarHBondContact O-N 3.34Å; N82-T85 PolarHBondContact O-N 2.84Å; N82-L86 PolarHBondContact O-N 2.89Å |
| 83 | A | 94.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L17 M54 V65 L79 V80 D81 T85 L86 L87 L157 | L17-A83 HydrophobicContact CD2-CB 3.91Å; M54-A83 HydrophobicContact CE-CB 4.32Å; V65-A83 HydrophobicContact CB-CB 4.29Å; V65-A83 HydrophobicContact CG1-CB 3.92Å; V65-A83 HydrophobicContact CG2-CB 4.22Å; L79-A83 VanDerWaalsContact O-CB 3.26Å; L79-A83 WeakPolarHBondContact O-CB 3.03Å; L79-A83 PolarHBondContact O-N 2.82Å; V80-A83 WeakPolarHBondContact O-CB 3.26Å; V80-A83 PolarHBondContact O-N 3.39Å; D81-A83 PolarHBondContact O-N 2.81Å; A83-T85 VanDerWaalsContact C-N 3.33Å; A83-T85 PolarHBondContact O-N 2.85Å; A83-L86 PolarHBondContact O-N 3.31Å; A83-L87 WeakPolarHBondContact O-CB 3.02Å; A83-L87 WeakPolarHBondContact O-CG 3.27Å; A83-L87 PolarHBondContact O-N 3.35Å; A83-L157 HydrophobicContact CB-CD1 4.18Å |
| 84 | L | 94.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 177.9 | -69.6 | 174 | 0 | 0 | 0 | 111.8 | V80 D81 L86 L87 G88 L95 L97 L110 Y115 V131 V133 L157 | V80-L84 HydrophobicContact CG1-CD1 3.94Å; V80-L84 HydrophobicContact CG1-CG 4.31Å; V80-L84 WeakPolarHBondContact O-CB 3.14Å; V80-L84 VanDerWaalsContact O-CG 3.26Å; V80-L84 WeakPolarHBondContact O-CG 3.38Å; V80-L84 PolarHBondContact O-N 3.14Å; D81-L84 PolarHBondContact O-N 2.87Å; L84-L86 PolarHBondContact O-N 3.46Å; L84-L87 PolarHBondContact O-N 2.88Å; L84-G88 PolarHBondContact O-N 2.85Å; L84-L95 WeakPolarHBondContact O-CD2 3.34Å; L84-L97 HydrophobicContact CD1-CD1 3.94Å; L84-L97 HydrophobicContact CD2-CD1 4.35Å; L84-L97 HydrophobicContact CD2-CD2 4.07Å; L84-L110 HydrophobicContact CD1-CD1 4.4Å; L84-L110 HydrophobicContact CD1-CD2 3.42Å; L84-L110 VanDerWaalsContact CD1-CD2 3.42Å; L84-Y115 HydrophobicContact CB-CE1 4.43Å; L84-Y115 HydrophobicContact CD1-CD2 4.18Å; L84-Y115 HydrophobicContact CD1-CE2 3.63Å; L84-V131 HydrophobicContact CD2-CG1 3.85Å; L84-V133 HydrophobicContact CD2-CG2 3.64Å; L84-L157 HydrophobicContact CD2-CD2 3.98Å; L84-L157 HydrophobicContact CG-CD2 4.24Å |
| 85 | T | 91.5 | Very high | 86.2 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 175.4 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | D81 N82 A83 G88 G90 | D81-T85 WeakPolarHBondContact O-CB 3.46Å; D81-T85 PolarHBondContact O-N 3.29Å; D81-T85 PolarHBondContact O-OG1 2.91Å; N82-T85 PolarHBondContact O-N 2.84Å; A83-T85 VanDerWaalsContact C-N 3.33Å; A83-T85 PolarHBondContact O-N 2.85Å; T85-G88 PolarHBondContact O-N 3.11Å; T85-G90 WeakPolarHBondContact O-CA 3.03Å; T85-G90 PolarHBondContact O-N 2.81Å |
| 86 | L | 92.6 | Very high | 86.2 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.9 | 179.6 | 71 | 0 | 0 | 0 | 111.3 | A13 A16 L17 R63 N82 A83 L84 G88 G89 | A13-L86 HydrophobicContact CB-CD1 4.11Å; A13-L86 HydrophobicContact CB-CD2 4.02Å; A16-L86 HydrophobicContact CB-CD1 4.22Å; L17-L86 HydrophobicContact CD1-CD2 3.82Å; L17-L86 HydrophobicContact CD2-CB 4.39Å; L17-L86 HydrophobicContact CD2-CD2 3.84Å; L17-L86 HydrophobicContact CG-CD2 3.71Å; R63-L86 VanDerWaalsContact CD-O 3.29Å; R63-L86 WeakPolarHBondContact CD-O 3.35Å; R63-L86 PolarHBondContact NH1-O 2.99Å; N82-L86 PolarHBondContact O-N 2.89Å; A83-L86 PolarHBondContact O-N 3.31Å; L84-L86 PolarHBondContact O-N 3.46Å; L86-G88 VanDerWaalsContact C-N 3.29Å; L86-G88 PolarHBondContact O-N 3.37Å; L86-G89 PolarHBondContact O-N 2.96Å |
| 87 | L | 93.4 | Very high | 86.3 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -33.9 | -178.9 | -71.1 | 173.6 | 0 | 0 | 0 | 112.2 | R63 V65 A83 L84 G89 V131 L157 | R63-L87 VanDerWaalsContact C-CD2 3.41Å; R63-L87 HydrophobicContact CB-CD2 3.65Å; R63-L87 WeakPolarHBondContact O-CD2 3.41Å; V65-L87 HydrophobicContact CB-CD1 4.35Å; V65-L87 HydrophobicContact CG2-CD1 4.3Å; V65-L87 HydrophobicContact CG2-CD2 3.99Å; V65-L87 HydrophobicContact CG2-CG 4.09Å; A83-L87 WeakPolarHBondContact O-CB 3.02Å; A83-L87 WeakPolarHBondContact O-CG 3.27Å; A83-L87 PolarHBondContact O-N 3.35Å; L84-L87 PolarHBondContact O-N 2.88Å; L87-G89 PolarHBondContact O-N 3.11Å; L87-V131 HydrophobicContact CB-CG1 3.98Å; L87-V131 HydrophobicContact CB-CG2 3.78Å; L87-V131 HydrophobicContact CD1-CG1 3.92Å; L87-L157 HydrophobicContact CD1-CB 3.6Å |
| 88 | G | 88.4 | Confident | 86.4 | Confident | 17 Ų | 17 | 33.3 Ų | 33.3 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 10 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L84 T85 L86 | L84-G88 PolarHBondContact O-N 2.85Å; T85-G88 PolarHBondContact O-N 3.11Å; L86-G88 VanDerWaalsContact C-N 3.29Å; L86-G88 PolarHBondContact O-N 3.37Å |
| 89 | G | 83.5 | Confident | 86.6 | Confident | 51 Ų | 51 | 30.6 Ų | 30.6 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 8.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L86 L87 | L86-G89 PolarHBondContact O-N 2.96Å; L87-G89 PolarHBondContact O-N 3.11Å |
| 90 | G | 75 | Confident | 86.6 | Confident | 53 Ų | 53 | 30.2 Ų | 30.2 | 55% | 0.546 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | -5.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | T85 | T85-G90 WeakPolarHBondContact O-CA 3.03Å; T85-G90 PolarHBondContact O-N 2.81Å |
| 91 | E | 70.6 | Confident | 86.4 | Confident | 146 Ų | 146 | 35 Ų | 35 | 68% | 0.682 | 22% | 0.222 | S | C | * | . | trans | -91.6 | 126.5 | 174.4 | -62.6 | -176.4 | -178.9 | 0 | 0 | 110.4 | ||||
| 92 | S | 68.6 | Low | 86.3 | Confident | 50 Ų | 50 | 37 Ų | 37 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | trans | -107.8 | -15.6 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | S114 | S92-S114 PolarHBondContact O-OG 3.48Š| ||
| 93 | A | 68.9 | Low | 86.1 | Confident | 68 Ų | 68 | 37.4 Ų | 37.4 | 56% | 0.562 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 125.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L95 | A93-L95 PolarHBondContact O-N 2.92Š|
| 94 | N | 71.5 | Confident | 85.7 | Confident | 111 Ų | 111 | 44.2 Ų | 44.2 | 59% | 0.594 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 21.7 | 179 | -63.5 | -45 | 0 | 0 | 0 | 115.4 | S96 S114 Q116 | N94-S96 PolarHBondContact O-N 2.94Å; N94-S114 PolarHBondContact N-O 2.93Å; N94-Q116 PolarHBondContact OD1-NE2 2.77Å |
| 95 | L | 86.1 | Confident | 85.4 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | trans | -61 | 125.3 | 175.9 | -172.8 | 66.9 | 0 | 0 | 0 | 109.9 | L84 A93 L97 Y115 Q116 V131 | L84-L95 WeakPolarHBondContact O-CD2 3.34Å; A93-L95 PolarHBondContact O-N 2.92Å; L95-L97 HydrophobicContact CD2-CD2 3.83Å; L95-L97 HydrophobicContact CG-CD2 3.9Å; L95-Y115 HydrophobicContact CB-CD1 3.96Å; L95-Y115 HydrophobicContact CB-CE1 4.33Å; L95-Y115 HydrophobicContact CD2-CE1 4.29Å; L95-Q116 PolarHBondContact O-N 2.84Å; L95-V131 HydrophobicContact CD1-CG2 4.28Å; L95-V131 HydrophobicContact CD2-CG2 3.96Å; L95-V131 HydrophobicContact CG-CG2 4.33Å | ||
| 96 | S | 90 | Very high | 85.3 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 119.4 | -179.8 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | N94 G128 V129 S130 V131 | N94-S96 PolarHBondContact O-N 2.94Å; S96-G128 PolarHBondContact OG-O 3.11Å; S96-V129 WeakPolarHBondContact OG-CA 3.38Å; S96-S130 PolarHBondContact O-N 3.37Å; S96-S130 PolarHBondContact OG-N 3.45Å; S96-S130 PolarHBondContact OG-OG 2.79Å; S96-V131 PolarHBondContact O-N 3.26Å; S96-V131 VanDerWaalsContact O-N 3.17Å |
| 97 | L | 92.5 | Very high | 85 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.7 | -175 | -54.9 | -174 | 0 | 0 | 0 | 110.6 | L84 L95 V99 L110 Y115 Q116 V117 S118 V131 | L84-L97 HydrophobicContact CD1-CD1 3.94Å; L84-L97 HydrophobicContact CD2-CD1 4.35Å; L84-L97 HydrophobicContact CD2-CD2 4.07Å; L95-L97 HydrophobicContact CD2-CD2 3.83Å; L95-L97 HydrophobicContact CG-CD2 3.9Å; L97-V99 HydrophobicContact CB-CG2 4.47Å; L97-L110 HydrophobicContact CD1-CD1 4.03Å; L97-Y115 HydrophobicContact CD1-CD1 4.2Å; L97-Y115 HydrophobicContact CD1-CD2 3.86Å; L97-Y115 HydrophobicContact CD1-CG 3.62Å; L97-Y115 HydrophobicContact CG-CG 4.39Å; L97-Q116 PolarHBondContact N-O 2.99Å; L97-V117 HydrophobicContact CD1-CG2 4.38Å; L97-S118 PolarHBondContact O-N 2.87Å; L97-V131 CarbonylContact C-O 3.18Å; L97-V131 WeakPolarHBondContact CA-O 3.38Å; L97-V131 HydrophobicContact CD2-CB 3.68Å; L97-V131 HydrophobicContact CD2-CG1 4.23Å; L97-V131 HydrophobicContact CD2-CG2 4.39Å |
| 98 | G | 93.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V131 Y132 V133 | G98-V131 PolarHBondContact N-O 3.49Å; G98-Y132 WeakPolarHBondContact O-CA 3.39Å; G98-Y132 WeakPolarHBondContact O-CD2 3.45Å; G98-V133 PolarHBondContact O-N 3.29Å |
| 99 | V | 93.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132.2 | -179.9 | -168.6 | 0 | 0 | 0 | 0 | 110.3 | L97 K101 M103 V106 V107 L110 V117 S118 P119 V120 V133 | L97-V99 HydrophobicContact CB-CG2 4.47Å; V99-K101 PolarHBondContact O-N 3.31Å; V99-M103 HydrophobicContact CG1-CB 4.35Å; V99-V106 HydrophobicContact CG1-CB 4.46Å; V99-V106 HydrophobicContact CG1-CG1 4.16Å; V99-V107 HydrophobicContact CB-CG2 3.95Å; V99-V107 HydrophobicContact CG1-CG2 3.7Å; V99-L110 HydrophobicContact CG2-CD1 4.14Å; V99-V117 HydrophobicContact CB-CG1 4.42Å; V99-V117 HydrophobicContact CG2-CG1 3.87Å; V99-S118 PolarHBondContact N-O 3.21Å; V99-P119 CarbonylContact O-C 3.49Å; V99-P119 WeakPolarHBondContact O-CA 3.45Å; V99-V120 PolarHBondContact O-N 3.04Å; V99-V133 HydrophobicContact CG2-CB 4.12Å; V99-V133 HydrophobicContact CG2-CG2 4.39Å |
| 100 | P | 92.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 134.3 | 173.5 | -26.3 | 34 | 0 | 0 | 0 | 112.8 | T102 M103 V120 Y132 V133 | P100-T102 WeakPolarHBondContact CB-OG1 3.35Å; P100-T102 PolarHBondContact O-N 3.01Å; P100-T102 VanDerWaalsContact O-N 3.16Å; P100-M103 HydrophobicContact CB-CG 4.23Å; P100-M103 HydrophobicContact CB-SD 4.45Å; P100-M103 HydrophobicContact CG-SD 4.18Å; P100-M103 PolarHBondContact O-N 3.35Å; P100-V120 CarbonylContact C-O 3.55Å; P100-V120 VanDerWaalsContact CA-O 3.27Å; P100-V120 WeakPolarHBondContact CA-O 3.21Å; P100-Y132 WeakPolarHBondContact CG-OH 3.21Å; P100-V133 WeakPolarHBondContact CD-O 3.48Å |
| 101 | K | 89.4 | Confident | 85 | Confident | 107 Ų | 107 | 49.9 Ų | 49.9 | 47% | 0.465 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.9 | 176.4 | -72.3 | 178.2 | -168.5 | 172.4 | 0 | 113.2 | V99 M103 P119 V120 E121 | V99-K101 PolarHBondContact O-N 3.31Å; K101-M103 PolarHBondContact O-N 3.5Å; K101-P119 WeakPolarHBondContact CE-O 3.31Å; K101-P119 HydrophobicContact CG-CB 3.7Å; K101-V120 WeakPolarHBondContact CG-O 3.26Å; K101-V120 PolarHBondContact N-O 3.28Å; K101-E121 VanDerWaalsContact CD-OE1 3.27Å; K101-E121 WeakPolarHBondContact CD-OE1 3.46Å; K101-E121 WeakPolarHBondContact CE-OE1 3.34Å; K101-E121 IonicContact NZ-OE1 3.2Å; K101-E121 PolarHBondContact NZ-OE1 2.77Å |
| 102 | T | 88.4 | Confident | 85 | Confident | 96 Ų | 96 | 52.7 Ų | 52.7 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -24.4 | 174 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | P100 K104 Q138 | P100-T102 WeakPolarHBondContact CB-OG1 3.35Å; P100-T102 PolarHBondContact O-N 3.01Å; P100-T102 VanDerWaalsContact O-N 3.16Å; T102-K104 PolarHBondContact O-N 3.48Å; T102-Q138 PolarHBondContact OG1-NE2 3.1Å; T102-Q138 PolarHBondContact OG1-OE1 2.9Å |
| 103 | M | 89.9 | Confident | 85.4 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | trans | -96.3 | 51.5 | -178.3 | -57.2 | -176.4 | 79.3 | 0 | 0 | 112.3 | L73 V99 P100 K101 G105 V106 V107 D135 | L73-M103 HydrophobicContact CD1-CE 3.48Å; L73-M103 VanDerWaalsContact CD1-CE 3.48Å; V99-M103 HydrophobicContact CG1-CB 4.35Å; P100-M103 HydrophobicContact CB-CG 4.23Å; P100-M103 HydrophobicContact CB-SD 4.45Å; P100-M103 HydrophobicContact CG-SD 4.18Å; P100-M103 PolarHBondContact O-N 3.35Å; K101-M103 PolarHBondContact O-N 3.5Å; M103-G105 VanDerWaalsContact C-N 3.27Å; M103-G105 PolarHBondContact O-N 2.96Å; M103-G105 VanDerWaalsContact O-N 3.14Å; M103-V106 HydrophobicContact CB-CB 4.25Å; M103-V106 HydrophobicContact CB-CG2 4.35Å; M103-V106 HydrophobicContact CE-CG2 4.03Å; M103-V106 WeakPolarHBondContact O-CB 2.98Å; M103-V106 PolarHBondContact O-N 3.29Å; M103-V107 PolarHBondContact O-N 2.96Å; M103-V107 VanDerWaalsContact O-N 3.13Å; M103-D135 HydrophobicContact CE-CB 3.9Å; M103-D135 HydrophobicContact SD-CB 4.31Å; M103-D135 PolarHBondContact SD-N 3.19Å; M103-D135 VanDerWaalsContact SD-N 3.39Å | ||
| 104 | K | 87.2 | Confident | 85.9 | Confident | 143 Ų | 143 | 53 Ų | 53 | 62% | 0.622 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -51.4 | -41.5 | -174.2 | -173.3 | 177.6 | 178.1 | -178.2 | 0 | 113.7 | T102 V106 V107 D108 | T102-K104 PolarHBondContact O-N 3.48Å; K104-V106 VanDerWaalsContact C-N 3.3Å; K104-V106 PolarHBondContact O-N 2.84Å; K104-V107 PolarHBondContact O-N 2.96Å; K104-D108 WeakPolarHBondContact O-CB 3.44Å; K104-D108 PolarHBondContact O-N 2.84Å |
| 105 | G | 86.8 | Confident | 86.6 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.6 | -33.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | M103 N109 | M103-G105 VanDerWaalsContact C-N 3.27Å; M103-G105 PolarHBondContact O-N 2.96Å; M103-G105 VanDerWaalsContact O-N 3.14Å; G105-N109 WeakPolarHBondContact O-CB 3.44Å; G105-N109 PolarHBondContact O-N 3.38Å |
| 106 | V | 88.8 | Confident | 86.6 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73.5 | -44.9 | 175.2 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | L73 T74 V99 M103 K104 D108 N109 L110 V133 | L73-V106 HydrophobicContact CB-CG2 3.69Å; L73-V106 HydrophobicContact CD1-CG2 4.44Å; T74-V106 HydrophobicContact CG2-CB 4.42Å; T74-V106 HydrophobicContact CG2-CG2 3.58Å; V99-V106 HydrophobicContact CG1-CB 4.46Å; V99-V106 HydrophobicContact CG1-CG1 4.16Å; M103-V106 HydrophobicContact CB-CB 4.25Å; M103-V106 HydrophobicContact CB-CG2 4.35Å; M103-V106 HydrophobicContact CE-CG2 4.03Å; M103-V106 WeakPolarHBondContact O-CB 2.98Å; M103-V106 PolarHBondContact O-N 3.29Å; K104-V106 VanDerWaalsContact C-N 3.3Å; K104-V106 PolarHBondContact O-N 2.84Å; V106-D108 VanDerWaalsContact C-N 3.34Å; V106-D108 PolarHBondContact O-N 3.21Å; V106-N109 PolarHBondContact O-N 2.89Å; V106-L110 HydrophobicContact CG1-CD1 3.72Å; V106-L110 HydrophobicContact CG1-CG 4.22Å; V106-L110 WeakPolarHBondContact O-CB 3.47Å; V106-L110 VanDerWaalsContact O-CG 3.3Å; V106-L110 WeakPolarHBondContact O-CG 3.46Å; V106-L110 PolarHBondContact O-N 3.09Å; V106-V133 HydrophobicContact CG1-CG1 4.13Å |
| 107 | V | 88.1 | Confident | 86.5 | Confident | 12 Ų | 12 | 53 Ų | 53 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 175.6 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | V99 M103 K104 N109 L110 N111 V117 P119 | V99-V107 HydrophobicContact CB-CG2 3.95Å; V99-V107 HydrophobicContact CG1-CG2 3.7Å; M103-V107 PolarHBondContact O-N 2.96Å; M103-V107 VanDerWaalsContact O-N 3.13Å; K104-V107 PolarHBondContact O-N 2.96Å; V107-N109 VanDerWaalsContact C-N 3.32Å; V107-N109 PolarHBondContact O-N 3.5Å; V107-L110 PolarHBondContact O-N 3.37Å; V107-N111 WeakPolarHBondContact CG1-ND2 3.33Å; V107-N111 WeakPolarHBondContact O-CB 3.35Å; V107-N111 VanDerWaalsContact O-CG 3.28Å; V107-N111 PolarHBondContact O-N 3.22Å; V107-N111 PolarHBondContact O-ND2 2.89Å; V107-V117 HydrophobicContact CG1-CG1 4.29Å; V107-P119 HydrophobicContact CG1-CG 4.13Å |
| 108 | D | 86.8 | Confident | 86.4 | Confident | 68 Ų | 68 | 55.5 Ų | 55.5 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | -179.4 | -70.2 | -15.7 | 0 | 0 | 0 | 112.1 | K104 V106 R112 | K104-D108 WeakPolarHBondContact O-CB 3.44Å; K104-D108 PolarHBondContact O-N 2.84Å; V106-D108 VanDerWaalsContact C-N 3.34Å; V106-D108 PolarHBondContact O-N 3.21Å; D108-R112 WeakPolarHBondContact O-CG 3.44Å |
| 109 | N | 85.4 | Confident | 86.2 | Confident | 52 Ų | 52 | 58.4 Ų | 58.4 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.4 | -45.1 | 175.6 | -83.1 | -4.9 | 0 | 0 | 0 | 112.1 | T74 G105 V106 V107 R112 | T74-N109 WeakPolarHBondContact CA-ND2 3.18Å; T74-N109 PolarHBondContact O-ND2 3.48Å; G105-N109 WeakPolarHBondContact O-CB 3.44Å; G105-N109 PolarHBondContact O-N 3.38Å; V106-N109 PolarHBondContact O-N 2.89Å; V107-N109 VanDerWaalsContact C-N 3.32Å; V107-N109 PolarHBondContact O-N 3.5Å; N109-R112 WeakPolarHBondContact O-CB 3.41Å; N109-R112 PolarHBondContact O-N 3.17Å |
| 110 | L | 85.9 | Confident | 86.1 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.2 | -30.6 | -177.1 | -65.3 | 177.4 | 0 | 0 | 0 | 113 | V80 L84 L97 V99 V106 V107 R112 S113 Y115 V117 V133 | V80-L110 HydrophobicContact CG1-CD2 4.14Å; L84-L110 HydrophobicContact CD1-CD1 4.4Å; L84-L110 HydrophobicContact CD1-CD2 3.42Å; L84-L110 VanDerWaalsContact CD1-CD2 3.42Å; L97-L110 HydrophobicContact CD1-CD1 4.03Å; V99-L110 HydrophobicContact CG2-CD1 4.14Å; V106-L110 HydrophobicContact CG1-CD1 3.72Å; V106-L110 HydrophobicContact CG1-CG 4.22Å; V106-L110 WeakPolarHBondContact O-CB 3.47Å; V106-L110 VanDerWaalsContact O-CG 3.3Å; V106-L110 WeakPolarHBondContact O-CG 3.46Å; V106-L110 PolarHBondContact O-N 3.09Å; V107-L110 PolarHBondContact O-N 3.37Å; L110-R112 PolarHBondContact O-N 3.35Å; L110-S113 WeakPolarHBondContact O-CB 3.33Å; L110-S113 PolarHBondContact O-N 2.99Å; L110-Y115 HydrophobicContact CD2-CD2 4.2Å; L110-Y115 HydrophobicContact CD2-CE2 4.29Å; L110-V117 HydrophobicContact CB-CG2 3.7Å; L110-V133 HydrophobicContact CD1-CG2 4.43Å |
| 111 | N | 81.8 | Confident | 85.8 | Confident | 89 Ų | 89 | 65.3 Ų | 65.3 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.5 | 173.4 | -81.9 | -28.1 | 0 | 0 | 0 | 113.7 | V107 S113 V117 | V107-N111 WeakPolarHBondContact CG1-ND2 3.33Å; V107-N111 WeakPolarHBondContact O-CB 3.35Å; V107-N111 VanDerWaalsContact O-CG 3.28Å; V107-N111 PolarHBondContact O-N 3.22Å; V107-N111 PolarHBondContact O-ND2 2.89Å; N111-S113 VanDerWaalsContact C-N 3.26Å; N111-V117 WeakPolarHBondContact OD1-CB 3.5Å |
| 112 | R | 71 | Confident | 85.6 | Confident | 206 Ų | 206 | 64.6 Ų | 64.6 | 78% | 0.777 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.8 | 175 | -63.8 | 171.5 | -175.9 | -176.6 | 0.9 | 112.7 | D108 N109 L110 | D108-R112 WeakPolarHBondContact O-CG 3.44Å; N109-R112 WeakPolarHBondContact O-CB 3.41Å; N109-R112 PolarHBondContact O-N 3.17Å; L110-R112 PolarHBondContact O-N 3.35Å |
| 113 | S | 75.2 | Confident | 85.7 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -178.4 | -178.9 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | L110 N111 Y115 | L110-S113 WeakPolarHBondContact O-CB 3.33Å; L110-S113 PolarHBondContact O-N 2.99Å; N111-S113 VanDerWaalsContact C-N 3.26Å; S113-Y115 PolarHBondContact O-N 3.46Å; S113-Y115 VanDerWaalsContact O-N 3.11Å |
| 114 | S | 79.9 | Confident | 85.5 | Confident | 71 Ų | 71 | 65.4 Ų | 65.4 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 21.9 | -179.1 | 55.5 | 0 | 0 | 0 | 0 | 115.2 | S92 N94 | S92-S114 PolarHBondContact O-OG 3.48Å; N94-S114 PolarHBondContact N-O 2.93Å |
| 115 | Y | 86.5 | Confident | 85.2 | Confident | 15 Ų | 15 | 62.2 Ų | 62.2 | 6% | 0.059 | 33% | 0.334 | C | S | . | . | trans | -97.7 | 148.3 | -171.9 | -59.4 | -52.2 | 0 | 0 | 0 | 112.8 | D81 L84 L95 L97 L110 S113 V117 | D81-Y115 PolarHBondContact O-OH 2.9Å; D81-Y115 PolarHBondContact OD1-OH 2.82Å; L84-Y115 HydrophobicContact CB-CE1 4.43Å; L84-Y115 HydrophobicContact CD1-CD2 4.18Å; L84-Y115 HydrophobicContact CD1-CE2 3.63Å; L95-Y115 HydrophobicContact CB-CD1 3.96Å; L95-Y115 HydrophobicContact CB-CE1 4.33Å; L95-Y115 HydrophobicContact CD2-CE1 4.29Å; L97-Y115 HydrophobicContact CD1-CD1 4.2Å; L97-Y115 HydrophobicContact CD1-CD2 3.86Å; L97-Y115 HydrophobicContact CD1-CG 3.62Å; L97-Y115 HydrophobicContact CG-CG 4.39Å; L110-Y115 HydrophobicContact CD2-CD2 4.2Å; L110-Y115 HydrophobicContact CD2-CE2 4.29Å; S113-Y115 PolarHBondContact O-N 3.46Å; S113-Y115 VanDerWaalsContact O-N 3.11Å; Y115-V117 PolarHBondContact O-N 2.82Å | ||
| 116 | Q | 86.1 | Confident | 85 | Confident | 107 Ų | 107 | 66.1 Ų | 66.1 | 50% | 0.5 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 88.4 | 171.4 | -67.1 | -173.5 | 9.7 | 0 | 0 | 109.4 | N94 L95 L97 | N94-Q116 PolarHBondContact OD1-NE2 2.77Å; L95-Q116 PolarHBondContact O-N 2.84Å; L97-Q116 PolarHBondContact N-O 2.99Å |
| 117 | V | 88.8 | Confident | 84.8 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 13% | 0.127 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.3 | -178.5 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | L97 V99 V107 L110 N111 Y115 P119 | L97-V117 HydrophobicContact CD1-CG2 4.38Å; V99-V117 HydrophobicContact CB-CG1 4.42Å; V99-V117 HydrophobicContact CG2-CG1 3.87Å; V107-V117 HydrophobicContact CG1-CG1 4.29Å; L110-V117 HydrophobicContact CB-CG2 3.7Å; N111-V117 WeakPolarHBondContact OD1-CB 3.5Å; Y115-V117 PolarHBondContact O-N 2.82Å; V117-P119 WeakPolarHBondContact O-CD 3.13Å |
| 118 | S | 90.3 | Very high | 84.6 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 37% | 0.371 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 101.2 | 173 | -69.8 | 0 | 0 | 0 | 0 | 109.6 | L97 V99 V120 | L97-S118 PolarHBondContact O-N 2.87Å; V99-S118 PolarHBondContact N-O 3.21Å; S118-V120 PolarHBondContact O-N 3.06Å |
| 119 | P | 88.4 | Confident | 84.8 | Confident | 62 Ų | 62 | 67.6 Ų | 67.6 | 40% | 0.403 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 117.1 | 174.4 | -17.6 | 31.7 | 0 | 0 | 0 | 110.7 | V99 K101 V107 V117 | V99-P119 CarbonylContact O-C 3.49Å; V99-P119 WeakPolarHBondContact O-CA 3.45Å; K101-P119 WeakPolarHBondContact CE-O 3.31Å; K101-P119 HydrophobicContact CG-CB 3.7Å; V107-P119 HydrophobicContact CG1-CG 4.13Å; V117-P119 WeakPolarHBondContact O-CD 3.13Å |
| 120 | V | 90.3 | Very high | 85 | Confident | 16 Ų | 16 | 67.9 Ų | 67.9 | 10% | 0.097 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 157.8 | -176.8 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | V99 P100 K101 S118 L127 Y132 | V99-V120 PolarHBondContact O-N 3.04Å; P100-V120 CarbonylContact C-O 3.55Å; P100-V120 VanDerWaalsContact CA-O 3.27Å; P100-V120 WeakPolarHBondContact CA-O 3.21Å; K101-V120 WeakPolarHBondContact CG-O 3.26Å; K101-V120 PolarHBondContact N-O 3.28Å; S118-V120 PolarHBondContact O-N 3.06Å; V120-L127 HydrophobicContact CB-CD1 4.44Å; V120-L127 HydrophobicContact CB-CD2 4.47Å; V120-L127 HydrophobicContact CG1-CD1 3.98Å; V120-L127 HydrophobicContact CG1-CD2 3.61Å; V120-L127 HydrophobicContact CG1-CG 4.41Å; V120-L127 HydrophobicContact CG2-CD1 4.28Å; V120-Y132 HydrophobicContact CG2-CE2 3.98Å |
| 121 | E | 86.5 | Confident | 85.4 | Confident | 129 Ų | 129 | 67.5 Ų | 67.5 | 60% | 0.603 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -72.8 | -47.3 | 172.7 | -63.6 | -60.5 | 153.7 | 0 | 0 | 110.9 | K101 | K101-E121 VanDerWaalsContact CD-OE1 3.27Å; K101-E121 WeakPolarHBondContact CD-OE1 3.46Å; K101-E121 WeakPolarHBondContact CE-OE1 3.34Å; K101-E121 IonicContact NZ-OE1 3.2Å; K101-E121 PolarHBondContact NZ-OE1 2.77Å |
| 122 | E | 86.1 | Confident | 86.1 | Confident | 91 Ų | 91 | 63.6 Ų | 63.6 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -149.1 | 170.1 | 178.7 | 59.6 | 171.4 | -168.8 | 0 | 0 | 110.3 | K142 | E122-K142 VanDerWaalsContact OE1-CE 3.29Å; E122-K142 WeakPolarHBondContact OE1-CE 3.4Å; E122-K142 IonicContact OE1-NZ 2.77Å; E122-K142 VanDerWaalsContact OE2-CE 3.26Å; E122-K142 WeakPolarHBondContact OE2-CE 3.26Å |
| 123 | F | 89.8 | Confident | 87.3 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | trans | -67 | 137.8 | 173.8 | -176.7 | -101 | 0 | 0 | 0 | 111.5 | L127 Y132 K142 E145 L146 F149 | F123-L127 HydrophobicContact CD2-CD1 4.28Å; F123-Y132 HydrophobicContact CB-CE1 3.96Å; F123-Y132 HydrophobicContact CB-CE2 4.14Å; F123-Y132 AromaticContact CD2-CD1 3.95Å; F123-Y132 HydrophobicContact CD2-CD1 3.95Å; F123-Y132 AromaticContact CD2-CD2 3.67Å; F123-Y132 HydrophobicContact CD2-CD2 3.67Å; F123-Y132 HydrophobicContact CD2-CE1 4.13Å; F123-Y132 AromaticContact CD2-CE2 3.87Å; F123-Y132 HydrophobicContact CD2-CE2 3.87Å; F123-Y132 AromaticContact CD2-CG 3.71Å; F123-Y132 HydrophobicContact CD2-CG 3.71Å; F123-Y132 HydrophobicContact CE2-CD2 4.35Å; F123-Y132 HydrophobicContact CE2-CG 4.23Å; F123-Y132 HydrophobicContact CG-CE1 4.41Å; F123-Y132 PolarHBondContact N-OH 2.8Å; F123-K142 HydrophobicContact CB-CB 4.41Å; F123-E145 HydrophobicContact CD1-CB 4.02Å; F123-E145 HydrophobicContact CE1-CB 3.9Å; F123-L146 HydrophobicContact CB-CD2 3.96Å; F123-L146 HydrophobicContact CB-CG 4.21Å; F123-L146 HydrophobicContact CD1-CD2 3.62Å; F123-L146 HydrophobicContact CD1-CG 3.67Å; F123-L146 HydrophobicContact CD2-CD2 3.43Å; F123-L146 VanDerWaalsContact CD2-CD2 3.43Å; F123-L146 HydrophobicContact CD2-CG 4.37Å; F123-L146 HydrophobicContact CE1-CD2 3.94Å; F123-L146 HydrophobicContact CE1-CG 4.14Å; F123-L146 HydrophobicContact CE2-CD2 3.77Å; F123-L146 HydrophobicContact CG-CD2 3.35Å; F123-L146 HydrophobicContact CG-CG 3.8Å; F123-L146 HydrophobicContact CZ-CD2 4.02Å; F123-F149 HydrophobicContact CE1-CB 4.18Å; F123-F149 HydrophobicContact CE2-CB 4.45Å; F123-F149 HydrophobicContact CE2-CD1 4.09Å; F123-F149 HydrophobicContact CE2-CD2 4.44Å; F123-F149 HydrophobicContact CE2-CE1 4.45Å; F123-F149 HydrophobicContact CE2-CG 4.08Å; F123-F149 HydrophobicContact CZ-CB 3.56Å; F123-F149 HydrophobicContact CZ-CD1 4.02Å; F123-F149 HydrophobicContact CZ-CD2 4.06Å; F123-F149 AromaticContact CZ-CG 3.62Å; F123-F149 HydrophobicContact CZ-CG 3.62Å | ||
| 124 | R | 85.1 | Confident | 88.3 | Confident | 130 Ų | 130 | 51.4 Ų | 51.4 | 49% | 0.491 | 30% | 0.299 | S | S | . | . | trans | -139.2 | 144.6 | 166.7 | -54.3 | -175.5 | -63.7 | -171.2 | 0.5 | 109.8 | D126 L127 | R124-D126 WeakPolarHBondContact CB-OD1 3.26Å; R124-D126 IonicContact NE-OD1 2.71Å; R124-D126 PolarHBondContact O-N 3Å; R124-L127 HydrophobicContact CB-CD2 4.44Å; R124-L127 HydrophobicContact CB-CG 4.03Å; R124-L127 WeakPolarHBondContact O-CD1 3.5Å; R124-L127 WeakPolarHBondContact O-CG 3.26Å; R124-L127 PolarHBondContact O-N 3.3Å | ||
| 125 | A | 80.8 | Confident | 89 | Confident | 76 Ų | 76 | 48.9 Ų | 48.9 | 63% | 0.628 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 126 | D | 83.4 | Confident | 89.4 | Confident | 121 Ų | 121 | 48.2 Ų | 48.2 | 65% | 0.647 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 6.8 | -176.8 | 67.9 | -19.2 | 0 | 0 | 0 | 114.2 | R124 G128 | R124-D126 WeakPolarHBondContact CB-OD1 3.26Å; R124-D126 IonicContact NE-OD1 2.71Å; R124-D126 PolarHBondContact O-N 3Å; D126-G128 PolarHBondContact O-N 2.93Å; D126-G128 VanDerWaalsContact O-N 3.1Å |
| 127 | L | 84.4 | Confident | 89.8 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -63 | -16.9 | -177.4 | -72.7 | 175.3 | 0 | 0 | 0 | 114.4 | V120 F123 R124 V129 | V120-L127 HydrophobicContact CB-CD1 4.44Å; V120-L127 HydrophobicContact CB-CD2 4.47Å; V120-L127 HydrophobicContact CG1-CD1 3.98Å; V120-L127 HydrophobicContact CG1-CD2 3.61Å; V120-L127 HydrophobicContact CG1-CG 4.41Å; V120-L127 HydrophobicContact CG2-CD1 4.28Å; F123-L127 HydrophobicContact CD2-CD1 4.28Å; R124-L127 HydrophobicContact CB-CD2 4.44Å; R124-L127 HydrophobicContact CB-CG 4.03Å; R124-L127 WeakPolarHBondContact O-CD1 3.5Å; R124-L127 WeakPolarHBondContact O-CG 3.26Å; R124-L127 PolarHBondContact O-N 3.3Å; L127-V129 HydrophobicContact CB-CG1 4.17Å; L127-V129 HydrophobicContact CB-CG2 4.02Å; L127-V129 PolarHBondContact O-N 3.09Å |
| 128 | G | 84.6 | Confident | 89.7 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 70% | 0.701 | 27% | 0.273 | S | S | * | . | trans | 66.4 | 17.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S96 D126 | S96-G128 PolarHBondContact OG-O 3.11Å; D126-G128 PolarHBondContact O-N 2.93Å; D126-G128 VanDerWaalsContact O-N 3.1Å | ||
| 129 | V | 90.3 | Very high | 89.7 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | trans | -90.2 | 141.4 | 179.9 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | S96 L127 F149 | S96-V129 WeakPolarHBondContact OG-CA 3.38Å; L127-V129 HydrophobicContact CB-CG1 4.17Å; L127-V129 HydrophobicContact CB-CG2 4.02Å; L127-V129 PolarHBondContact O-N 3.09Å; V129-F149 WeakPolarHBondContact O-CE2 3.36Å | ||
| 130 | S | 90.6 | Very high | 89.5 | Confident | 59 Ų | 59 | 43.6 Ų | 43.6 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -81 | -34.1 | 175.7 | -60.3 | 0 | 0 | 0 | 0 | 112 | S96 G155 | S96-S130 PolarHBondContact O-N 3.37Å; S96-S130 PolarHBondContact OG-N 3.45Å; S96-S130 PolarHBondContact OG-OG 2.79Å; S130-G155 PolarHBondContact O-N 3.47Å |
| 131 | V | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.7 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | L84 L87 L95 S96 L97 G98 V133 G155 | L84-V131 HydrophobicContact CD2-CG1 3.85Å; L87-V131 HydrophobicContact CB-CG1 3.98Å; L87-V131 HydrophobicContact CB-CG2 3.78Å; L87-V131 HydrophobicContact CD1-CG1 3.92Å; L95-V131 HydrophobicContact CD1-CG2 4.28Å; L95-V131 HydrophobicContact CD2-CG2 3.96Å; L95-V131 HydrophobicContact CG-CG2 4.33Å; S96-V131 PolarHBondContact O-N 3.26Å; S96-V131 VanDerWaalsContact O-N 3.17Å; L97-V131 CarbonylContact C-O 3.18Å; L97-V131 WeakPolarHBondContact CA-O 3.38Å; L97-V131 HydrophobicContact CD2-CB 3.68Å; L97-V131 HydrophobicContact CD2-CG1 4.23Å; L97-V131 HydrophobicContact CD2-CG2 4.39Å; G98-V131 PolarHBondContact N-O 3.49Å; V131-V133 HydrophobicContact CG1-CG2 4.46Å; V131-G155 CarbonylContact C-O 3.38Å; V131-G155 VanDerWaalsContact CA-O 3.28Å; V131-G155 WeakPolarHBondContact CA-O 3.48Å |
| 132 | Y | 95.9 | Very high | 89.6 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.6 | 173.1 | -169.4 | -112.6 | 0 | 0 | 0 | 110.3 | G98 P100 V120 F123 T134 L146 G155 L156 L157 | G98-Y132 WeakPolarHBondContact O-CA 3.39Å; G98-Y132 WeakPolarHBondContact O-CD2 3.45Å; P100-Y132 WeakPolarHBondContact CG-OH 3.21Å; V120-Y132 HydrophobicContact CG2-CE2 3.98Å; F123-Y132 HydrophobicContact CB-CE1 3.96Å; F123-Y132 HydrophobicContact CB-CE2 4.14Å; F123-Y132 AromaticContact CD2-CD1 3.95Å; F123-Y132 HydrophobicContact CD2-CD1 3.95Å; F123-Y132 AromaticContact CD2-CD2 3.67Å; F123-Y132 HydrophobicContact CD2-CD2 3.67Å; F123-Y132 HydrophobicContact CD2-CE1 4.13Å; F123-Y132 AromaticContact CD2-CE2 3.87Å; F123-Y132 HydrophobicContact CD2-CE2 3.87Å; F123-Y132 AromaticContact CD2-CG 3.71Å; F123-Y132 HydrophobicContact CD2-CG 3.71Å; F123-Y132 HydrophobicContact CE2-CD2 4.35Å; F123-Y132 HydrophobicContact CE2-CG 4.23Å; F123-Y132 HydrophobicContact CG-CE1 4.41Å; F123-Y132 PolarHBondContact N-OH 2.8Å; Y132-T134 HydrophobicContact CD1-CG2 3.91Å; Y132-T134 HydrophobicContact CE1-CG2 3.73Å; Y132-L146 HydrophobicContact CD1-CD2 3.59Å; Y132-L146 HydrophobicContact CE1-CD2 3.96Å; Y132-L146 HydrophobicContact CG-CD2 4.31Å; Y132-G155 PolarHBondContact N-O 2.82Å; Y132-L156 HydrophobicContact CD1-CD1 4.02Å; Y132-L157 PolarHBondContact O-N 2.96Å |
| 133 | V | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.4 | 178.9 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | L73 L84 G98 V99 P100 V106 L110 V131 L157 | L73-V133 HydrophobicContact CD2-CG1 4.01Å; L84-V133 HydrophobicContact CD2-CG2 3.64Å; G98-V133 PolarHBondContact O-N 3.29Å; V99-V133 HydrophobicContact CG2-CB 4.12Å; V99-V133 HydrophobicContact CG2-CG2 4.39Å; P100-V133 WeakPolarHBondContact CD-O 3.48Å; V106-V133 HydrophobicContact CG1-CG1 4.13Å; L110-V133 HydrophobicContact CD1-CG2 4.43Å; V131-V133 HydrophobicContact CG1-CG2 4.46Å; V133-L157 WeakPolarHBondContact CA-O 3.41Å; V133-L157 HydrophobicContact CG1-CB 4.21Å; V133-L157 HydrophobicContact CG1-CD2 3.99Å; V133-L157 HydrophobicContact CG1-CG 4.15Å; V133-L157 HydrophobicContact CG2-CB 4.24Å; V133-L157 HydrophobicContact CG2-CD2 4.43Å |
| 134 | T | 95.6 | Very high | 90 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 166.5 | -174.1 | -173.5 | 0 | 0 | 0 | 0 | 112 | Y132 V139 L156 L157 I158 G159 | Y132-T134 HydrophobicContact CD1-CG2 3.91Å; Y132-T134 HydrophobicContact CE1-CG2 3.73Å; T134-V139 HydrophobicContact CG2-CG1 3.41Å; T134-V139 VanDerWaalsContact CG2-CG1 3.41Å; T134-L156 HydrophobicContact CG2-CD1 4.05Å; T134-L157 PolarHBondContact N-O 3.37Å; T134-I158 HydrophobicContact CG2-CB 4.38Å; T134-I158 HydrophobicContact CG2-CD1 4.33Å; T134-I158 HydrophobicContact CG2-CG1 4.09Å; T134-I158 WeakPolarHBondContact O-CA 3.21Å; T134-G159 PolarHBondContact O-N 2.86Å; T134-G159 VanDerWaalsContact O-N 3.14Å |
| 135 | D | 94.8 | Very high | 90.4 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 10% | 0.102 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 163.6 | 162.5 | 71.5 | 51.1 | 0 | 0 | 0 | 112.3 | E70 M103 Y137 Q138 G159 | E70-D135 HydrophobicContact CB-CB 3.94Å; M103-D135 HydrophobicContact CE-CB 3.9Å; M103-D135 HydrophobicContact SD-CB 4.31Å; M103-D135 PolarHBondContact SD-N 3.19Å; M103-D135 VanDerWaalsContact SD-N 3.39Å; D135-Y137 PolarHBondContact O-N 3.18Å; D135-Y137 WeakPolarHBondContact OD1-CA 3.44Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.25Å; D135-Y137 PolarHBondContact OD1-N 2.91Å; D135-Q138 WeakPolarHBondContact OD1-CG 3.4Å; D135-Q138 PolarHBondContact OD1-N 2.99Å; D135-Q138 PolarHBondContact OD2-NE2 3.02Å; D135-G159 CarbonylContact C-O 2.88Å; D135-G159 WeakPolarHBondContact CA-O 3.29Å |
| 136 | A | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -10.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | I158 G159 F178 P179 G180 F191 | A136-I158 HydrophobicContact CB-CD1 4.3Å; A136-I158 HydrophobicContact CB-CG1 4.23Å; A136-G159 PolarHBondContact N-O 3.31Å; A136-F178 HydrophobicContact CB-CE1 3.93Å; A136-F178 HydrophobicContact CB-CZ 3.73Å; A136-P179 CarbonylContact O-C 3.41Å; A136-P179 WeakPolarHBondContact O-CB 3.22Å; A136-G180 WeakPolarHBondContact O-CA 3.4Å; A136-G180 PolarHBondContact O-N 2.89Å; A136-F191 HydrophobicContact CB-CE1 4.43Å; A136-F191 HydrophobicContact CB-CE2 4.15Å; A136-F191 HydrophobicContact CB-CZ 3.92Å |
| 137 | Y | 93.6 | Very high | 91.6 | Very high | 57 Ų | 57 | 33.9 Ų | 33.9 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -32.9 | -176.8 | -59.6 | -84.6 | 0 | 0 | 0 | 112.1 | D135 Q161 W164 W165 F178 | D135-Y137 PolarHBondContact O-N 3.18Å; D135-Y137 WeakPolarHBondContact OD1-CA 3.44Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.25Å; D135-Y137 PolarHBondContact OD1-N 2.91Å; Y137-Q161 VanDerWaalsContact CZ-O 3.3Å; Y137-Q161 PolarHBondContact OH-NE2 3.24Å; Y137-Q161 PolarHBondContact OH-O 2.99Å; Y137-W164 HydrophobicContact CE1-CE3 4.03Å; Y137-W164 HydrophobicContact CE1-CZ3 4.19Å; Y137-W165 HydrophobicContact CE1-CB 4.16Å; Y137-F178 HydrophobicContact CD1-CE2 4.1Å; Y137-F178 AromaticContact CE1-CE2 3.86Å; Y137-F178 HydrophobicContact CE1-CE2 3.86Å; Y137-F178 HydrophobicContact CE1-CZ 4.4Å |
| 138 | Q | 88.5 | Confident | 92.1 | Very high | 69 Ų | 69 | 35 Ų | 35 | 32% | 0.322 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -12.7 | -174.4 | -67.6 | -174.9 | 63.9 | 0 | 0 | 114.3 | T102 D135 G140 | T102-Q138 PolarHBondContact OG1-NE2 3.1Å; T102-Q138 PolarHBondContact OG1-OE1 2.9Å; D135-Q138 WeakPolarHBondContact OD1-CG 3.4Å; D135-Q138 PolarHBondContact OD1-N 2.99Å; D135-Q138 PolarHBondContact OD2-NE2 3.02Å; Q138-G140 PolarHBondContact O-N 2.89Å |
| 139 | V | 89.3 | Confident | 92.6 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16.7 | -172.8 | -63.5 | 0 | 0 | 0 | 0 | 115 | T134 K142 A143 L146 I158 P179 V183 | T134-V139 HydrophobicContact CG2-CG1 3.41Å; T134-V139 VanDerWaalsContact CG2-CG1 3.41Å; V139-K142 CarbonylContact O-C 3.57Å; V139-K142 PolarHBondContact O-N 2.77Å; V139-K142 VanDerWaalsContact O-N 3.13Å; V139-A143 PolarHBondContact O-N 2.99Å; V139-A143 VanDerWaalsContact O-N 3.13Å; V139-L146 HydrophobicContact CB-CD1 3.73Å; V139-L146 HydrophobicContact CG1-CD1 3.73Å; V139-I158 HydrophobicContact CG1-CD1 3.95Å; V139-I158 HydrophobicContact CG2-CD1 4.18Å; V139-P179 HydrophobicContact CG2-CB 4.23Å; V139-P179 VanDerWaalsContact CG2-O 3.24Å; V139-P179 WeakPolarHBondContact CG2-O 3.27Å; V139-V183 HydrophobicContact CB-CG2 3.94Å; V139-V183 HydrophobicContact CG2-CG2 3.92Å |
| 140 | G | 84.3 | Confident | 92.8 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 19% | 0.186 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -54.7 | -52.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q138 K142 A143 | Q138-G140 PolarHBondContact O-N 2.89Å; G140-K142 PolarHBondContact O-N 3.46Å; G140-A143 PolarHBondContact O-N 3.09Å |
| 141 | P | 88.1 | Confident | 93 | Very high | 112 Ų | 112 | 34 Ų | 34 | 73% | 0.727 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -62.9 | -22.4 | -179.5 | -24.6 | 35.5 | 0 | 0 | 0 | 114.6 | ||
| 142 | K | 91.1 | Very high | 93 | Very high | 45 Ų | 45 | 36.7 Ų | 36.7 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -115.7 | 18.3 | -173.4 | -62.8 | -59.2 | -165.8 | 173.7 | 0 | 113.4 | E122 F123 V139 G140 E144 E145 L146 | E122-K142 VanDerWaalsContact OE1-CE 3.29Å; E122-K142 WeakPolarHBondContact OE1-CE 3.4Å; E122-K142 IonicContact OE1-NZ 2.77Å; E122-K142 VanDerWaalsContact OE2-CE 3.26Å; E122-K142 WeakPolarHBondContact OE2-CE 3.26Å; F123-K142 HydrophobicContact CB-CB 4.41Å; V139-K142 CarbonylContact O-C 3.57Å; V139-K142 PolarHBondContact O-N 2.77Å; V139-K142 VanDerWaalsContact O-N 3.13Å; G140-K142 PolarHBondContact O-N 3.46Å; K142-E144 PolarHBondContact O-N 3.19Å; K142-E145 VanDerWaalsContact CD-OE1 3.29Å; K142-E145 WeakPolarHBondContact CD-OE1 3.32Å; K142-E145 IonicContact NZ-OE1 3.83Å; K142-E145 PolarHBondContact NZ-OE1 3.06Å; K142-E145 PolarHBondContact O-N 2.99Å; K142-L146 HydrophobicContact CB-CD1 4.42Å; K142-L146 PolarHBondContact O-N 3.35Å |
| 143 | A | 92.1 | Very high | 92.8 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.8 | -46.3 | -172 | 0 | 0 | 0 | 0 | 0 | 113.1 | V139 G140 E145 L146 I147 K182 V183 | V139-A143 PolarHBondContact O-N 2.99Å; V139-A143 VanDerWaalsContact O-N 3.13Å; G140-A143 PolarHBondContact O-N 3.09Å; A143-E145 PolarHBondContact O-N 2.87Å; A143-L146 PolarHBondContact O-N 3.03Å; A143-I147 WeakPolarHBondContact O-CB 3.49Å; A143-I147 WeakPolarHBondContact O-CD1 3.48Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 3.27Å; A143-K182 HydrophobicContact CB-CB 4.07Å; A143-V183 HydrophobicContact CB-CG2 3.73Å |
| 144 | E | 91.8 | Very high | 92.8 | Very high | 111 Ų | 111 | 38.5 Ų | 38.5 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -44.2 | 179.8 | -59.7 | -64.2 | 171.7 | 0 | 0 | 112.6 | K142 I147 A148 R272 | K142-E144 PolarHBondContact O-N 3.19Å; E144-I147 PolarHBondContact O-N 3.11Å; E144-A148 WeakPolarHBondContact O-CB 3.42Å; E144-A148 PolarHBondContact O-N 3.02Å; E144-R272 IonicContact OE1-CZ 3.76Å; E144-R272 IonicContact OE1-NH1 3.43Å; E144-R272 PolarHBondContact OE1-NH1 3.33Å; E144-R272 IonicContact OE1-NH2 3.61Å; E144-R272 PolarHBondContact OE1-NH2 3.34Å; E144-R272 IonicContact OE2-CZ 3Å; E144-R272 IonicContact OE2-NH1 2.8Å; E144-R272 PolarHBondContact OE2-NH1 3.46Å |
| 145 | E | 93.9 | Very high | 92.8 | Very high | 72 Ų | 72 | 38.4 Ų | 38.4 | 34% | 0.336 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 179 | -62.8 | -177.7 | -129.4 | 0 | 0 | 110.9 | F123 K142 A143 A148 F149 | F123-E145 HydrophobicContact CD1-CB 4.02Å; F123-E145 HydrophobicContact CE1-CB 3.9Å; K142-E145 VanDerWaalsContact CD-OE1 3.29Å; K142-E145 WeakPolarHBondContact CD-OE1 3.32Å; K142-E145 IonicContact NZ-OE1 3.83Å; K142-E145 PolarHBondContact NZ-OE1 3.06Å; K142-E145 PolarHBondContact O-N 2.99Å; A143-E145 PolarHBondContact O-N 2.87Å; E145-A148 PolarHBondContact O-N 3.25Å; E145-F149 WeakPolarHBondContact O-CB 3.41Å; E145-F149 PolarHBondContact O-N 3.22Å |
| 146 | L | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 177 | -78.9 | 168.4 | 0 | 0 | 0 | 112.3 | F123 Y132 V139 K142 A143 A148 F149 V150 V183 | F123-L146 HydrophobicContact CB-CD2 3.96Å; F123-L146 HydrophobicContact CB-CG 4.21Å; F123-L146 HydrophobicContact CD1-CD2 3.62Å; F123-L146 HydrophobicContact CD1-CG 3.67Å; F123-L146 HydrophobicContact CD2-CD2 3.43Å; F123-L146 VanDerWaalsContact CD2-CD2 3.43Å; F123-L146 HydrophobicContact CD2-CG 4.37Å; F123-L146 HydrophobicContact CE1-CD2 3.94Å; F123-L146 HydrophobicContact CE1-CG 4.14Å; F123-L146 HydrophobicContact CE2-CD2 3.77Å; F123-L146 HydrophobicContact CG-CD2 3.35Å; F123-L146 HydrophobicContact CG-CG 3.8Å; F123-L146 HydrophobicContact CZ-CD2 4.02Å; Y132-L146 HydrophobicContact CD1-CD2 3.59Å; Y132-L146 HydrophobicContact CE1-CD2 3.96Å; Y132-L146 HydrophobicContact CG-CD2 4.31Å; V139-L146 HydrophobicContact CB-CD1 3.73Å; V139-L146 HydrophobicContact CG1-CD1 3.73Å; K142-L146 HydrophobicContact CB-CD1 4.42Å; K142-L146 PolarHBondContact O-N 3.35Å; A143-L146 PolarHBondContact O-N 3.03Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 2.89Å; L146-F149 WeakPolarHBondContact O-CB 3.33Å; L146-F149 PolarHBondContact O-N 3.13Å; L146-V150 WeakPolarHBondContact O-CG2 3.47Å; L146-V150 PolarHBondContact O-N 3.22Å; L146-V183 HydrophobicContact CB-CG1 4.11Å; L146-V183 HydrophobicContact CB-CG2 4.44Å; L146-V183 HydrophobicContact CD1-CG2 4.29Å |
| 147 | I | 94.5 | Very high | 93 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.8 | -45.7 | 176.5 | -70.1 | 162.8 | 0 | 0 | 0 | 109.9 | Y59 A143 E144 F149 V150 K151 K182 V183 V186 | Y59-I147 HydrophobicContact CD1-CG2 4.44Å; Y59-I147 HydrophobicContact CE1-CG2 3.59Å; A143-I147 WeakPolarHBondContact O-CB 3.49Å; A143-I147 WeakPolarHBondContact O-CD1 3.48Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 3.27Å; E144-I147 PolarHBondContact O-N 3.11Å; I147-F149 VanDerWaalsContact C-N 3.33Å; I147-F149 PolarHBondContact O-N 3.24Å; I147-V150 PolarHBondContact O-N 3.49Å; I147-K151 VanDerWaalsContact O-CB 3.28Å; I147-K151 WeakPolarHBondContact O-CB 3.25Å; I147-K151 PolarHBondContact O-N 3.26Å; I147-K182 WeakPolarHBondContact CD1-O 3.47Å; I147-V183 HydrophobicContact CG1-CG1 4.39Å; I147-V186 HydrophobicContact CD1-CG1 4.1Å; I147-V186 HydrophobicContact CG1-CG1 4.4Å; I147-V186 HydrophobicContact CG1-CG2 4.3Å; I147-V186 HydrophobicContact CG2-CG1 4.39Å; I147-V186 HydrophobicContact CG2-CG2 4.25Å |
| 148 | A | 94.6 | Very high | 93.1 | Very high | 58 Ų | 58 | 34.8 Ų | 34.8 | 48% | 0.479 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E144 E145 L146 K151 A152 | E144-A148 WeakPolarHBondContact O-CB 3.42Å; E144-A148 PolarHBondContact O-N 3.02Å; E145-A148 PolarHBondContact O-N 3.25Å; L146-A148 VanDerWaalsContact C-N 3.33Å; L146-A148 PolarHBondContact O-N 2.89Å; A148-K151 PolarHBondContact O-N 3.26Å; A148-A152 VanDerWaalsContact O-CB 3.32Å; A148-A152 WeakPolarHBondContact O-CB 3.34Å; A148-A152 PolarHBondContact O-N 2.97Å |
| 149 | F | 95.4 | Very high | 93.5 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -50.3 | 175.2 | 166.9 | -105.7 | 0 | 0 | 0 | 112.3 | F123 V129 E145 L146 I147 A152 G153 G154 G155 | F123-F149 HydrophobicContact CE1-CB 4.18Å; F123-F149 HydrophobicContact CE2-CB 4.45Å; F123-F149 HydrophobicContact CE2-CD1 4.09Å; F123-F149 HydrophobicContact CE2-CD2 4.44Å; F123-F149 HydrophobicContact CE2-CE1 4.45Å; F123-F149 HydrophobicContact CE2-CG 4.08Å; F123-F149 HydrophobicContact CZ-CB 3.56Å; F123-F149 HydrophobicContact CZ-CD1 4.02Å; F123-F149 HydrophobicContact CZ-CD2 4.06Å; F123-F149 AromaticContact CZ-CG 3.62Å; F123-F149 HydrophobicContact CZ-CG 3.62Å; V129-F149 WeakPolarHBondContact O-CE2 3.36Å; E145-F149 WeakPolarHBondContact O-CB 3.41Å; E145-F149 PolarHBondContact O-N 3.22Å; L146-F149 WeakPolarHBondContact O-CB 3.33Å; L146-F149 PolarHBondContact O-N 3.13Å; I147-F149 VanDerWaalsContact C-N 3.33Å; I147-F149 PolarHBondContact O-N 3.24Å; F149-A152 PolarHBondContact O-N 3.13Å; F149-G153 PolarHBondContact O-N 3.25Å; F149-G154 VanDerWaalsContact CZ-CA 3.46Å; F149-G154 PolarHBondContact O-N 2.67Å; F149-G155 WeakPolarHBondContact CE1-O 3.33Å |
| 150 | V | 94.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -48.3 | 176.5 | 178 | 0 | 0 | 0 | 0 | 110.2 | Y59 G62 I64 L146 I147 A152 G153 L156 | Y59-V150 HydrophobicContact CD1-CG1 4.44Å; G62-V150 WeakPolarHBondContact CA-O 3.39Å; G62-V150 PolarHBondContact N-O 3.16Å; I64-V150 HydrophobicContact CD1-CB 4.46Å; I64-V150 HydrophobicContact CD1-CG1 3.72Å; I64-V150 HydrophobicContact CD1-CG2 4.31Å; I64-V150 HydrophobicContact CG1-CG1 3.6Å; I64-V150 HydrophobicContact CG1-CG2 4.29Å; L146-V150 WeakPolarHBondContact O-CG2 3.47Å; L146-V150 PolarHBondContact O-N 3.22Å; I147-V150 PolarHBondContact O-N 3.49Å; V150-A152 PolarHBondContact O-N 2.87Å; V150-A152 VanDerWaalsContact O-N 3.09Å; V150-G153 PolarHBondContact O-N 2.75Å; V150-L156 HydrophobicContact CG2-CB 3.76Å; V150-L156 HydrophobicContact CG2-CD2 4.26Å |
| 151 | K | 94.4 | Very high | 94.3 | Very high | 84 Ų | 84 | 31 Ų | 31 | 37% | 0.365 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -54.4 | -36.2 | 179.4 | -164.3 | 176.5 | -179.7 | -178.1 | 0 | 112.2 | Y59 R61 I147 A148 G153 E355 | Y59-K151 HydrophobicContact CD1-CB 3.97Å; Y59-K151 HydrophobicContact CD1-CG 4.36Å; Y59-K151 HydrophobicContact CE1-CB 3.66Å; Y59-K151 HydrophobicContact CE1-CD 3.98Å; Y59-K151 HydrophobicContact CE1-CG 3.85Å; R61-K151 PolarHBondContact N-O 3.01Å; I147-K151 VanDerWaalsContact O-CB 3.28Å; I147-K151 WeakPolarHBondContact O-CB 3.25Å; I147-K151 PolarHBondContact O-N 3.26Å; A148-K151 PolarHBondContact O-N 3.26Å; K151-G153 VanDerWaalsContact C-N 3.32Å; K151-G153 PolarHBondContact O-N 2.8Å; K151-E355 IonicContact NZ-OE1 3.04Å; K151-E355 PolarHBondContact NZ-OE1 3.21Å |
| 152 | A | 94.2 | Very high | 94.6 | Very high | 56 Ų | 56 | 25.7 Ų | 25.7 | 46% | 0.463 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -74.9 | -14.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R61 A148 F149 V150 | R61-A152 PolarHBondContact NE-O 3.45Å; R61-A152 PolarHBondContact NH2-O 3.08Å; A148-A152 VanDerWaalsContact O-CB 3.32Å; A148-A152 WeakPolarHBondContact O-CB 3.34Å; A148-A152 PolarHBondContact O-N 2.97Å; F149-A152 PolarHBondContact O-N 3.13Å; V150-A152 PolarHBondContact O-N 2.87Å; V150-A152 VanDerWaalsContact O-N 3.09Å |
| 153 | G | 92.8 | Very high | 94.7 | Very high | 39 Ų | 39 | 25.9 Ų | 25.9 | 40% | 0.402 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 128 | -3.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | F149 V150 K151 | F149-G153 PolarHBondContact O-N 3.25Å; V150-G153 PolarHBondContact O-N 2.75Å; K151-G153 VanDerWaalsContact C-N 3.32Å; K151-G153 PolarHBondContact O-N 2.8Å |
| 154 | G | 94.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | trans | -66.8 | 151.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G62 R63 F149 | G62-G154 WeakPolarHBondContact CA-O 3.4Å; R63-G154 PolarHBondContact N-O 3.24Å; F149-G154 VanDerWaalsContact CZ-CA 3.46Å; F149-G154 PolarHBondContact O-N 2.67Å | ||
| 155 | G | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 137.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S130 V131 Y132 F149 | S130-G155 PolarHBondContact O-N 3.47Å; V131-G155 CarbonylContact C-O 3.38Å; V131-G155 VanDerWaalsContact CA-O 3.28Å; V131-G155 WeakPolarHBondContact CA-O 3.48Å; Y132-G155 PolarHBondContact N-O 2.82Å; F149-G155 WeakPolarHBondContact CE1-O 3.33Å |
| 156 | L | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121.4 | 174.9 | 179.2 | 66 | 0 | 0 | 0 | 111 | R63 I64 V65 Y132 T134 V150 I158 V183 | R63-L156 PolarHBondContact O-N 2.78Å; I64-L156 WeakPolarHBondContact CA-O 3.22Å; I64-L156 HydrophobicContact CD1-CD2 4.48Å; I64-L156 HydrophobicContact CG1-CB 4.24Å; I64-L156 HydrophobicContact CG2-CB 4.32Å; I64-L156 HydrophobicContact CG2-CD2 4.21Å; I64-L156 HydrophobicContact CG2-CG 4.4Å; V65-L156 PolarHBondContact N-O 3.06Å; Y132-L156 HydrophobicContact CD1-CD1 4.02Å; T134-L156 HydrophobicContact CG2-CD1 4.05Å; V150-L156 HydrophobicContact CG2-CB 3.76Å; V150-L156 HydrophobicContact CG2-CD2 4.26Å; L156-I158 HydrophobicContact CG-CB 4.4Å; L156-V183 HydrophobicContact CD2-CG1 3.54Å |
| 157 | L | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.3 | 166.5 | 179.6 | 58.4 | 0 | 0 | 0 | 108.6 | V65 L67 L73 V80 A83 L84 L87 Y132 V133 T134 | V65-L157 HydrophobicContact CB-CD1 3.88Å; V65-L157 HydrophobicContact CG1-CD1 3.77Å; V65-L157 WeakPolarHBondContact O-CA 3.5Å; L67-L157 HydrophobicContact CD1-CD1 4.3Å; L73-L157 HydrophobicContact CD2-CD1 4.25Å; L73-L157 HydrophobicContact CD2-CD2 3.75Å; L73-L157 HydrophobicContact CD2-CG 3.68Å; V80-L157 HydrophobicContact CG1-CD2 3.93Å; A83-L157 HydrophobicContact CB-CD1 4.18Å; L84-L157 HydrophobicContact CD2-CD2 3.98Å; L84-L157 HydrophobicContact CG-CD2 4.24Å; L87-L157 HydrophobicContact CD1-CB 3.6Å; Y132-L157 PolarHBondContact O-N 2.96Å; V133-L157 WeakPolarHBondContact CA-O 3.41Å; V133-L157 HydrophobicContact CG1-CB 4.21Å; V133-L157 HydrophobicContact CG1-CD2 3.99Å; V133-L157 HydrophobicContact CG1-CG 4.15Å; V133-L157 HydrophobicContact CG2-CB 4.24Å; V133-L157 HydrophobicContact CG2-CD2 4.43Å; T134-L157 PolarHBondContact N-O 3.37Å |
| 158 | I | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.4 | -175.6 | -170.7 | 171.4 | 0 | 0 | 0 | 111.2 | V65 V66 L67 T134 A136 V139 L156 T184 | V65-I158 PolarHBondContact O-N 3.21Å; V66-I158 CarbonylContact C-O 3.51Å; V66-I158 WeakPolarHBondContact CA-O 3.41Å; V66-I158 HydrophobicContact CB-CG2 4.23Å; V66-I158 HydrophobicContact CG1-CG2 4.23Å; V66-I158 HydrophobicContact CG2-CG2 3.7Å; L67-I158 PolarHBondContact N-O 2.95Å; T134-I158 HydrophobicContact CG2-CB 4.38Å; T134-I158 HydrophobicContact CG2-CD1 4.33Å; T134-I158 HydrophobicContact CG2-CG1 4.09Å; T134-I158 WeakPolarHBondContact O-CA 3.21Å; A136-I158 HydrophobicContact CB-CD1 4.3Å; A136-I158 HydrophobicContact CB-CG1 4.23Å; V139-I158 HydrophobicContact CG1-CD1 3.95Å; V139-I158 HydrophobicContact CG2-CD1 4.18Å; L156-I158 HydrophobicContact CG-CB 4.4Å; I158-T184 HydrophobicContact CD1-CG2 4.06Å; I158-T184 HydrophobicContact CG2-CG2 3.57Å |
| 159 | G | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L67 E70 T134 D135 A136 | L67-G159 WeakPolarHBondContact O-CA 3.4Å; E70-G159 WeakPolarHBondContact CB-O 3.04Å; T134-G159 PolarHBondContact O-N 2.86Å; T134-G159 VanDerWaalsContact O-N 3.14Å; D135-G159 CarbonylContact C-O 2.88Å; D135-G159 WeakPolarHBondContact CA-O 3.29Å; A136-G159 PolarHBondContact N-O 3.31Å |
| 160 | G | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 174.4 | 172.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L67 S68 H69 E70 F191 | L67-G160 PolarHBondContact O-N 3.18Å; S68-G160 CarbonylContact C-O 3.47Å; S68-G160 WeakPolarHBondContact CA-O 3.5Å; H69-G160 PolarHBondContact N-O 3.13Å; E70-G160 WeakPolarHBondContact OE2-CA 3.17Å; G160-F191 VanDerWaalsContact O-CD1 3.26Å; G160-F191 WeakPolarHBondContact O-CD1 3.35Å; G160-F191 WeakPolarHBondContact O-CE1 3.32Å | ||
| 161 | Q | 94.3 | Very high | 93.1 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.047 | 24% | 0.235 | C | C | . | . | trans | -127.1 | 146.1 | 172.4 | 55.2 | 77.2 | 9.5 | 0 | 0 | 111.4 | C33 Y137 W164 | C33-Q161 HydrophobicContact CB-CB 4.09Å; Y137-Q161 VanDerWaalsContact CZ-O 3.3Å; Y137-Q161 PolarHBondContact OH-NE2 3.24Å; Y137-Q161 PolarHBondContact OH-O 2.99Å; Q161-W164 VanDerWaalsContact OE1-CB 3.27Å | ||
| 162 | A | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -102.7 | -13.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | W164 W165 A166 L174 F178 F191 T192 | A162-W164 PolarHBondContact O-N 2.97Å; A162-W165 PolarHBondContact O-N 2.83Å; A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.39Å; A162-A166 PolarHBondContact O-N 2.85Å; A162-L174 HydrophobicContact CB-CD1 4.26Å; A162-L174 HydrophobicContact CB-CD2 4.39Å; A162-F178 HydrophobicContact CB-CD1 3.96Å; A162-F178 HydrophobicContact CB-CD2 4.26Å; A162-F178 HydrophobicContact CB-CE1 3.92Å; A162-F178 HydrophobicContact CB-CE2 4.24Å; A162-F178 HydrophobicContact CB-CG 4.14Å; A162-F178 HydrophobicContact CB-CZ 4.07Å; A162-F191 HydrophobicContact CB-CB 3.56Å; A162-T192 WeakPolarHBondContact CB-O 3.34Å |
| 163 | W | 93.1 | Very high | 92.5 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 19% | 0.186 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | -177.8 | 65.3 | -106.3 | 0 | 0 | 0 | 112.3 | V31 A166 S167 A193 Y195 | V31-W163 HydrophobicContact CB-CZ2 4.18Å; V31-W163 PolarHBondContact O-NE1 3.13Å; W163-A166 PolarHBondContact O-N 3.26Å; W163-S167 PolarHBondContact O-N 2.95Å; W163-A193 VanDerWaalsContact CB-O 3.28Å; W163-A193 WeakPolarHBondContact CB-O 3.24Å; W163-Y195 HydrophobicContact CB-CD1 4.32Å; W163-Y195 HydrophobicContact CB-CE1 4.16Å; W163-Y195 AromaticContact CD1-CD1 3.8Å; W163-Y195 AromaticContact CD2-CD1 3.81Å; W163-Y195 HydrophobicContact CD2-CD1 3.81Å; W163-Y195 AromaticContact CD2-CE1 3.24Å; W163-Y195 HydrophobicContact CD2-CE1 3.24Å; W163-Y195 AromaticContact CE2-CE1 3.69Å; W163-Y195 HydrophobicContact CE3-CD1 4.35Å; W163-Y195 AromaticContact CE3-CE1 3.35Å; W163-Y195 HydrophobicContact CE3-CE1 3.35Å; W163-Y195 AromaticContact CE3-CZ 3.78Å; W163-Y195 AromaticContact CG-CD1 3.75Å; W163-Y195 HydrophobicContact CG-CD1 3.75Å; W163-Y195 AromaticContact CG-CE1 3.59Å; W163-Y195 HydrophobicContact CG-CE1 3.59Å; W163-Y195 HydrophobicContact CH2-CE1 4.34Å; W163-Y195 HydrophobicContact CZ2-CE1 4.24Å; W163-Y195 AromaticContact CZ3-CE1 3.92Å; W163-Y195 HydrophobicContact CZ3-CE1 3.92Å; W163-Y195 AromaticContact NE1-CD1 3.98Å |
| 164 | W | 92.6 | Very high | 92.4 | Very high | 126 Ų | 126 | 42.9 Ų | 42.9 | 48% | 0.477 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -70.6 | -42.3 | 178.3 | 178.5 | 78.4 | 0 | 0 | 0 | 110.7 | Y137 Q161 A162 A166 S167 Q168 | Y137-W164 HydrophobicContact CE1-CE3 4.03Å; Y137-W164 HydrophobicContact CE1-CZ3 4.19Å; Q161-W164 VanDerWaalsContact OE1-CB 3.27Å; A162-W164 PolarHBondContact O-N 2.97Å; W164-A166 VanDerWaalsContact C-N 3.27Å; W164-A166 PolarHBondContact O-N 2.85Å; W164-S167 PolarHBondContact O-N 2.93Å; W164-S167 PolarHBondContact O-OG 3.17Å; W164-Q168 HydrophobicContact CD2-CG 4.47Å; W164-Q168 HydrophobicContact CZ2-CG 4.27Å; W164-Q168 WeakPolarHBondContact O-CG 3.5Å; W164-Q168 PolarHBondContact O-N 3.39Å; W164-Q168 VanDerWaalsContact O-N 3.16Å |
| 165 | W | 94.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 10% | 0.095 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -43.6 | 174.9 | -176.4 | 92.8 | 0 | 0 | 0 | 111.1 | Y137 A162 S167 Q168 N169 K172 L174 E177 F178 | Y137-W165 HydrophobicContact CE1-CB 4.16Å; A162-W165 PolarHBondContact O-N 2.83Å; W165-S167 VanDerWaalsContact C-N 3.35Å; W165-S167 PolarHBondContact O-N 2.86Å; W165-Q168 CarbonylContact O-C 3.44Å; W165-Q168 PolarHBondContact O-N 3.39Å; W165-N169 HydrophobicContact CD2-CB 4.18Å; W165-N169 HydrophobicContact CE3-CB 4.13Å; W165-N169 HydrophobicContact CH2-CB 3.94Å; W165-N169 HydrophobicContact CZ2-CB 4Å; W165-N169 HydrophobicContact CZ3-CB 3.99Å; W165-N169 WeakPolarHBondContact O-CB 3.45Å; W165-N169 PolarHBondContact O-N 3.17Å; W165-N169 PolarHBondContact O-ND2 2.8Å; W165-K172 HydrophobicContact CH2-CB 3.56Å; W165-K172 HydrophobicContact CH2-CD 3.94Å; W165-K172 HydrophobicContact CH2-CG 4.39Å; W165-K172 HydrophobicContact CZ2-CB 4.34Å; W165-K172 HydrophobicContact CZ2-CD 3.85Å; W165-K172 HydrophobicContact CZ3-CB 4.28Å; W165-L174 HydrophobicContact CZ3-CB 4.4Å; W165-L174 HydrophobicContact CZ3-CG 4.48Å; W165-E177 HydrophobicContact CH2-CB 3.88Å; W165-E177 HydrophobicContact CZ2-CB 4.26Å; W165-F178 HydrophobicContact CB-CD2 3.81Å; W165-F178 HydrophobicContact CB-CE2 3.81Å; W165-F178 AromaticContact CD1-CD2 3.93Å; W165-F178 HydrophobicContact CD2-CB 4.42Å; W165-F178 AromaticContact CD2-CD2 3.69Å; W165-F178 HydrophobicContact CD2-CD2 3.69Å; W165-F178 HydrophobicContact CE3-CB 4.23Å; W165-F178 HydrophobicContact CE3-CD2 4.13Å; W165-F178 AromaticContact CG-CD2 3.52Å; W165-F178 HydrophobicContact CG-CD2 3.52Å; W165-F178 AromaticContact CG-CE2 3.91Å; W165-F178 HydrophobicContact CG-CE2 3.91Å; W165-F178 HydrophobicContact CZ3-CB 4.33Å |
| 166 | A | 92 | Very high | 91.9 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -43 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | A162 W163 W164 Q168 N169 E170 L174 A193 | A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.39Å; A162-A166 PolarHBondContact O-N 2.85Å; W163-A166 PolarHBondContact O-N 3.26Å; W164-A166 VanDerWaalsContact C-N 3.27Å; W164-A166 PolarHBondContact O-N 2.85Å; A166-Q168 PolarHBondContact O-N 3.47Å; A166-N169 CarbonylContact O-C 3.6Å; A166-N169 VanDerWaalsContact O-C 3.31Å; A166-N169 PolarHBondContact O-N 3.04Å; A166-E170 PolarHBondContact O-N 3.39Å; A166-L174 HydrophobicContact CB-CD1 3.71Å; A166-A193 HydrophobicContact CB-CB 3.77Å |
| 167 | S | 91.9 | Very high | 91.6 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65 | -27.3 | 177.9 | 84.2 | 0 | 0 | 0 | 0 | 112.7 | W163 W164 W165 | W163-S167 PolarHBondContact O-N 2.95Å; W164-S167 PolarHBondContact O-N 2.93Å; W164-S167 PolarHBondContact O-OG 3.17Å; W165-S167 VanDerWaalsContact C-N 3.35Å; W165-S167 PolarHBondContact O-N 2.86Å |
| 168 | Q | 92.9 | Very high | 91.5 | Very high | 124 Ų | 124 | 47.9 Ų | 47.9 | 58% | 0.579 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -88.1 | -12.3 | 174.9 | -58.9 | -54.1 | -46.1 | 0 | 0 | 113.2 | W164 W165 A166 | W164-Q168 HydrophobicContact CD2-CG 4.47Å; W164-Q168 HydrophobicContact CZ2-CG 4.27Å; W164-Q168 WeakPolarHBondContact O-CG 3.5Å; W164-Q168 PolarHBondContact O-N 3.39Å; W164-Q168 VanDerWaalsContact O-N 3.16Å; W165-Q168 CarbonylContact O-C 3.44Å; W165-Q168 PolarHBondContact O-N 3.39Å; A166-Q168 PolarHBondContact O-N 3.47Å |
| 169 | N | 90.3 | Very high | 91.5 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | trans | -135.1 | 45.9 | -171.2 | -65.9 | -93.6 | 0 | 0 | 0 | 111.7 | W165 A166 N171 K172 | W165-N169 HydrophobicContact CD2-CB 4.18Å; W165-N169 HydrophobicContact CE3-CB 4.13Å; W165-N169 HydrophobicContact CH2-CB 3.94Å; W165-N169 HydrophobicContact CZ2-CB 4Å; W165-N169 HydrophobicContact CZ3-CB 3.99Å; W165-N169 WeakPolarHBondContact O-CB 3.45Å; W165-N169 PolarHBondContact O-N 3.17Å; W165-N169 PolarHBondContact O-ND2 2.8Å; A166-N169 CarbonylContact O-C 3.6Å; A166-N169 VanDerWaalsContact O-C 3.31Å; A166-N169 PolarHBondContact O-N 3.04Å; N169-N171 PolarHBondContact O-N 3.18Å; N169-K172 HydrophobicContact CB-CB 4.17Å; N169-K172 HydrophobicContact CB-CD 3.99Å; N169-K172 HydrophobicContact CB-CG 4.16Å; N169-K172 PolarHBondContact O-N 2.9Å; N169-K172 WeakPolarHBondContact OD1-CD 3.24Å; N169-K172 WeakPolarHBondContact OD1-CE 3.39Å; N169-K172 PolarHBondContact OD1-NZ 3.43Å | ||
| 170 | E | 82.8 | Confident | 91.4 | Very high | 152 Ų | 152 | 48.9 Ų | 48.9 | 71% | 0.71 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -32 | -173 | -64.9 | -176.2 | 172 | 0 | 0 | 113.6 | A166 K222 | A166-E170 PolarHBondContact O-N 3.39Å; E170-K222 PolarHBondContact O-NZ 3.48Å |
| 171 | N | 80.8 | Confident | 91.4 | Very high | 147 Ų | 147 | 48.9 Ų | 48.9 | 79% | 0.786 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -5 | -178.4 | -70.2 | -36.7 | 0 | 0 | 0 | 115.7 | N169 | N169-N171 PolarHBondContact O-N 3.18Š|
| 172 | K | 87.1 | Confident | 91.4 | Very high | 96 Ų | 96 | 52 Ų | 52 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -94.2 | 153.4 | -179.1 | -65.6 | -170.7 | -179.7 | 158.9 | 0 | 112 | W165 N169 L174 E177 | W165-K172 HydrophobicContact CH2-CB 3.56Å; W165-K172 HydrophobicContact CH2-CD 3.94Å; W165-K172 HydrophobicContact CH2-CG 4.39Å; W165-K172 HydrophobicContact CZ2-CB 4.34Å; W165-K172 HydrophobicContact CZ2-CD 3.85Å; W165-K172 HydrophobicContact CZ3-CB 4.28Å; N169-K172 HydrophobicContact CB-CB 4.17Å; N169-K172 HydrophobicContact CB-CD 3.99Å; N169-K172 HydrophobicContact CB-CG 4.16Å; N169-K172 PolarHBondContact O-N 2.9Å; N169-K172 WeakPolarHBondContact OD1-CD 3.24Å; N169-K172 WeakPolarHBondContact OD1-CE 3.39Å; N169-K172 PolarHBondContact OD1-NZ 3.43Å; K172-L174 PolarHBondContact O-N 3.5Å; K172-E177 WeakPolarHBondContact CA-OE1 3.27Å; K172-E177 HydrophobicContact CB-CB 4.26Å; K172-E177 WeakPolarHBondContact CD-OE2 3.27Å; K172-E177 WeakPolarHBondContact CG-OE2 3.18Å |
| 173 | N | 87.9 | Confident | 91.5 | Very high | 31 Ų | 31 | 52 Ų | 52 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | trans | -78.5 | 106.9 | 174.4 | -173.9 | -67.7 | 0 | 0 | 0 | 110.2 | I175 L176 E177 Y269 R274 | N173-I175 VanDerWaalsContact C-N 3.27Å; N173-I175 PolarHBondContact O-N 2.97Å; N173-I175 WeakPolarHBondContact OD1-CB 3.29Å; N173-I175 PolarHBondContact OD1-N 3.4Å; N173-I175 VanDerWaalsContact OD1-N 3.11Å; N173-L176 PolarHBondContact O-N 3.49Å; N173-L176 PolarHBondContact OD1-N 3.29Å; N173-E177 HydrophobicContact CB-CG 4.36Å; N173-E177 PolarHBondContact N-OE1 3.05Å; N173-E177 WeakPolarHBondContact O-CA 3.46Å; N173-E177 WeakPolarHBondContact O-CB 3.41Å; N173-E177 PolarHBondContact O-N 2.81Å; N173-Y269 PolarHBondContact ND2-OH 2.92Å; N173-R274 PolarHBondContact ND2-NH2 2.88Å | ||
| 174 | L | 91.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 12% | 0.12 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.5 | -38.2 | -177.1 | -170.8 | 151.9 | 0 | 0 | 0 | 113.5 | A162 W165 A166 K172 L176 F178 N181 F191 A193 M218 | A162-L174 HydrophobicContact CB-CD1 4.26Å; A162-L174 HydrophobicContact CB-CD2 4.39Å; W165-L174 HydrophobicContact CZ3-CB 4.4Å; W165-L174 HydrophobicContact CZ3-CG 4.48Å; A166-L174 HydrophobicContact CB-CD1 3.71Å; K172-L174 PolarHBondContact O-N 3.5Å; L174-L176 PolarHBondContact O-N 3.28Å; L174-F178 WeakPolarHBondContact O-CB 3.28Å; L174-F178 PolarHBondContact O-N 3.15Å; L174-N181 WeakPolarHBondContact CD2-ND2 3.29Å; L174-N181 PolarHBondContact O-ND2 3.43Å; L174-F191 WeakPolarHBondContact CD2-O 3.29Å; L174-A193 HydrophobicContact CD1-CB 3.72Å; L174-M218 HydrophobicContact CD2-CE 3.73Å |
| 175 | I | 91.1 | Very high | 91.7 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.4 | -41.1 | -176.7 | -61.4 | 170.9 | 0 | 0 | 0 | 110.6 | N173 N181 Y190 M218 F220 L251 Y269 | N173-I175 VanDerWaalsContact C-N 3.27Å; N173-I175 PolarHBondContact O-N 2.97Å; N173-I175 WeakPolarHBondContact OD1-CB 3.29Å; N173-I175 PolarHBondContact OD1-N 3.4Å; N173-I175 VanDerWaalsContact OD1-N 3.11Å; I175-N181 VanDerWaalsContact O-CB 3.24Å; I175-N181 WeakPolarHBondContact O-CB 3.46Å; I175-Y190 HydrophobicContact CG2-CD1 3.94Å; I175-Y190 HydrophobicContact CG2-CE1 3.74Å; I175-M218 HydrophobicContact CD1-CB 4.35Å; I175-M218 HydrophobicContact CD1-CE 3.93Å; I175-M218 HydrophobicContact CD1-CG 4.35Å; I175-M218 HydrophobicContact CG1-CE 3.4Å; I175-M218 VanDerWaalsContact CG1-CE 3.4Å; I175-F220 HydrophobicContact CD1-CE1 3.88Å; I175-L251 HydrophobicContact CD1-CD2 4.3Å; I175-Y269 HydrophobicContact CB-CD1 4.35Å; I175-Y269 HydrophobicContact CB-CE1 4.38Å; I175-Y269 HydrophobicContact CD1-CD2 3.64Å; I175-Y269 HydrophobicContact CD1-CE2 3.75Å; I175-Y269 HydrophobicContact CD1-CG 4.05Å; I175-Y269 HydrophobicContact CG2-CD1 3.71Å; I175-Y269 HydrophobicContact CG2-CE1 4.21Å; I175-Y269 HydrophobicContact CG2-CG 3.88Å |
| 176 | L | 88.9 | Confident | 91.8 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -100.1 | -25.2 | -175.1 | -62.8 | -178.5 | 0 | 0 | 0 | 114.5 | N173 L174 K182 Y269 Q302 | N173-L176 PolarHBondContact O-N 3.49Å; N173-L176 PolarHBondContact OD1-N 3.29Å; L174-L176 PolarHBondContact O-N 3.28Å; L176-K182 WeakPolarHBondContact O-CE 3.34Å; L176-K182 VanDerWaalsContact O-CG 3.27Å; L176-K182 WeakPolarHBondContact O-CG 3.44Å; L176-Y269 HydrophobicContact CD1-CE1 3.84Å; L176-Y269 HydrophobicContact CD2-CD1 4.07Å; L176-Y269 HydrophobicContact CD2-CE1 4.13Å; L176-Y269 HydrophobicContact CG-CD1 4.22Å; L176-Y269 HydrophobicContact CG-CE1 3.78Å; L176-Q302 HydrophobicContact CD1-CG 4.39Å |
| 177 | E | 91.3 | Very high | 91.9 | Very high | 77 Ų | 77 | 42.1 Ų | 42.1 | 36% | 0.36 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -106.4 | -22 | -168.9 | -62.4 | -174.1 | -112.7 | 0 | 0 | 114 | W165 K172 N173 P179 K182 | W165-E177 HydrophobicContact CH2-CB 3.88Å; W165-E177 HydrophobicContact CZ2-CB 4.26Å; K172-E177 WeakPolarHBondContact CA-OE1 3.27Å; K172-E177 HydrophobicContact CB-CB 4.26Å; K172-E177 WeakPolarHBondContact CD-OE2 3.27Å; K172-E177 WeakPolarHBondContact CG-OE2 3.18Å; N173-E177 HydrophobicContact CB-CG 4.36Å; N173-E177 PolarHBondContact N-OE1 3.05Å; N173-E177 WeakPolarHBondContact O-CA 3.46Å; N173-E177 WeakPolarHBondContact O-CB 3.41Å; N173-E177 PolarHBondContact O-N 2.81Å; E177-P179 WeakPolarHBondContact O-CD 3.26Å; E177-K182 WeakPolarHBondContact O-CE 3.44Å |
| 178 | F | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -62.3 | 124.8 | 172.1 | 179.1 | -119.9 | 0 | 0 | 0 | 109.3 | A136 Y137 A162 W165 L174 G180 N181 K182 F191 | A136-F178 HydrophobicContact CB-CE1 3.93Å; A136-F178 HydrophobicContact CB-CZ 3.73Å; Y137-F178 HydrophobicContact CD1-CE2 4.1Å; Y137-F178 AromaticContact CE1-CE2 3.86Å; Y137-F178 HydrophobicContact CE1-CE2 3.86Å; Y137-F178 HydrophobicContact CE1-CZ 4.4Å; A162-F178 HydrophobicContact CB-CD1 3.96Å; A162-F178 HydrophobicContact CB-CD2 4.26Å; A162-F178 HydrophobicContact CB-CE1 3.92Å; A162-F178 HydrophobicContact CB-CE2 4.24Å; A162-F178 HydrophobicContact CB-CG 4.14Å; A162-F178 HydrophobicContact CB-CZ 4.07Å; W165-F178 HydrophobicContact CB-CD2 3.81Å; W165-F178 HydrophobicContact CB-CE2 3.81Å; W165-F178 AromaticContact CD1-CD2 3.93Å; W165-F178 HydrophobicContact CD2-CB 4.42Å; W165-F178 AromaticContact CD2-CD2 3.69Å; W165-F178 HydrophobicContact CD2-CD2 3.69Å; W165-F178 HydrophobicContact CE3-CB 4.23Å; W165-F178 HydrophobicContact CE3-CD2 4.13Å; W165-F178 AromaticContact CG-CD2 3.52Å; W165-F178 HydrophobicContact CG-CD2 3.52Å; W165-F178 AromaticContact CG-CE2 3.91Å; W165-F178 HydrophobicContact CG-CE2 3.91Å; W165-F178 HydrophobicContact CZ3-CB 4.33Å; L174-F178 WeakPolarHBondContact O-CB 3.28Å; L174-F178 PolarHBondContact O-N 3.15Å; F178-G180 VanDerWaalsContact C-N 3.28Å; F178-G180 PolarHBondContact O-N 2.84Å; F178-N181 HydrophobicContact CB-CB 4.27Å; F178-N181 HydrophobicContact CD1-CB 4.26Å; F178-N181 PolarHBondContact O-N 2.98Å; F178-K182 PolarHBondContact O-N 3.27Å; F178-F191 HydrophobicContact CD1-CB 3.97Å; F178-F191 HydrophobicContact CD1-CD2 4.06Å; F178-F191 HydrophobicContact CD1-CG 4.25Å; F178-F191 HydrophobicContact CE1-CB 3.73Å; F178-F191 HydrophobicContact CE1-CD1 4.37Å; F178-F191 AromaticContact CE1-CD2 3.59Å; F178-F191 HydrophobicContact CE1-CD2 3.59Å; F178-F191 HydrophobicContact CE1-CE2 4.22Å; F178-F191 AromaticContact CE1-CG 3.65Å; F178-F191 HydrophobicContact CE1-CG 3.65Å |
| 179 | P | 95.7 | Very high | 92.2 | Very high | 21 Ų | 21 | 33.8 Ų | 33.8 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.5 | -41.8 | -172.9 | -27.8 | 35.3 | 0 | 0 | 0 | 113.5 | A136 V139 E177 N181 K182 | A136-P179 CarbonylContact O-C 3.41Å; A136-P179 WeakPolarHBondContact O-CB 3.22Å; V139-P179 HydrophobicContact CG2-CB 4.23Å; V139-P179 VanDerWaalsContact CG2-O 3.24Å; V139-P179 WeakPolarHBondContact CG2-O 3.27Å; E177-P179 WeakPolarHBondContact O-CD 3.26Å; P179-N181 PolarHBondContact O-N 3.46Å; P179-K182 WeakPolarHBondContact O-CB 3.26Å; P179-K182 PolarHBondContact O-N 3.48Å |
| 180 | G | 96.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A136 F178 K182 V183 T184 | A136-G180 WeakPolarHBondContact O-CA 3.4Å; A136-G180 PolarHBondContact O-N 2.89Å; F178-G180 VanDerWaalsContact C-N 3.28Å; F178-G180 PolarHBondContact O-N 2.84Å; G180-K182 PolarHBondContact O-N 3.24Å; G180-V183 PolarHBondContact O-N 2.84Å; G180-T184 PolarHBondContact O-N 3.17Å; G180-T184 PolarHBondContact O-OG1 2.81Å; G180-T184 VanDerWaalsContact O-OG1 3.09Å |
| 181 | N | 95.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.8 | -27.1 | -179.1 | -74 | -16.6 | 0 | 0 | 0 | 113 | L174 I175 F178 P179 V183 G185 Y190 F191 | L174-N181 WeakPolarHBondContact CD2-ND2 3.29Å; L174-N181 PolarHBondContact O-ND2 3.43Å; I175-N181 VanDerWaalsContact O-CB 3.24Å; I175-N181 WeakPolarHBondContact O-CB 3.46Å; F178-N181 HydrophobicContact CB-CB 4.27Å; F178-N181 HydrophobicContact CD1-CB 4.26Å; F178-N181 PolarHBondContact O-N 2.98Å; P179-N181 PolarHBondContact O-N 3.46Å; N181-V183 PolarHBondContact O-N 2.85Å; N181-G185 WeakPolarHBondContact O-CA 3.27Å; N181-G185 PolarHBondContact O-N 3.28Å; N181-Y190 HydrophobicContact CB-CD1 4.38Å; N181-Y190 WeakPolarHBondContact OD1-CA 3.34Å; N181-F191 PolarHBondContact ND2-O 3.27Å; N181-F191 VanDerWaalsContact ND2-O 3.1Å; N181-F191 WeakPolarHBondContact OD1-CD2 3.43Å; N181-F191 PolarHBondContact OD1-N 3.32Å |
| 182 | K | 94.2 | Very high | 93.7 | Very high | 74 Ų | 74 | 18.1 Ų | 18.1 | 32% | 0.322 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -60.3 | -29.9 | 173.8 | -66.3 | -179 | 180 | -176.7 | 0 | 112.3 | A143 I147 L176 E177 F178 P179 G180 | A143-K182 HydrophobicContact CB-CB 4.07Å; I147-K182 WeakPolarHBondContact CD1-O 3.47Å; L176-K182 WeakPolarHBondContact O-CE 3.34Å; L176-K182 VanDerWaalsContact O-CG 3.27Å; L176-K182 WeakPolarHBondContact O-CG 3.44Å; E177-K182 WeakPolarHBondContact O-CE 3.44Å; F178-K182 PolarHBondContact O-N 3.27Å; P179-K182 WeakPolarHBondContact O-CB 3.26Å; P179-K182 PolarHBondContact O-N 3.48Å; G180-K182 PolarHBondContact O-N 3.24Å |
| 183 | V | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -102.1 | -45.2 | -178.6 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | V139 A143 L146 I147 L156 G180 N181 V186 | V139-V183 HydrophobicContact CB-CG2 3.94Å; V139-V183 HydrophobicContact CG2-CG2 3.92Å; A143-V183 HydrophobicContact CB-CG2 3.73Å; L146-V183 HydrophobicContact CB-CG1 4.11Å; L146-V183 HydrophobicContact CB-CG2 4.44Å; L146-V183 HydrophobicContact CD1-CG2 4.29Å; I147-V183 HydrophobicContact CG1-CG1 4.39Å; L156-V183 HydrophobicContact CD2-CG1 3.54Å; G180-V183 PolarHBondContact O-N 2.84Å; N181-V183 PolarHBondContact O-N 2.85Å; V183-V186 WeakPolarHBondContact O-CG2 3.43Å |
| 184 | T | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -78.8 | -22.9 | -176.1 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | V66 I158 G180 V186 A187 G188 I189 F191 | V66-T184 HydrophobicContact CG2-CG2 3.77Å; I158-T184 HydrophobicContact CD1-CG2 4.06Å; I158-T184 HydrophobicContact CG2-CG2 3.57Å; G180-T184 PolarHBondContact O-N 3.17Å; G180-T184 PolarHBondContact O-OG1 2.81Å; G180-T184 VanDerWaalsContact O-OG1 3.09Å; T184-V186 VanDerWaalsContact C-N 3.29Å; T184-V186 PolarHBondContact O-N 2.85Å; T184-A187 PolarHBondContact O-N 3.22Å; T184-G188 PolarHBondContact O-N 2.95Å; T184-I189 CarbonylContact C-O 3.59Å; T184-I189 VanDerWaalsContact C-O 3.23Å; T184-I189 WeakPolarHBondContact CB-O 3.3Å; T184-I189 PolarHBondContact O-N 3.16Å; T184-I189 PolarHBondContact OG1-O 2.84Å; T184-F191 HydrophobicContact CG2-CE2 4.01Å |
| 185 | G | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -60.5 | -35.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | N181 A187 G188 I189 Y190 G271 | N181-G185 WeakPolarHBondContact O-CA 3.27Å; N181-G185 PolarHBondContact O-N 3.28Å; G185-A187 PolarHBondContact O-N 3.23Å; G185-G188 WeakPolarHBondContact O-CA 3.32Å; G185-G188 PolarHBondContact O-N 3.33Å; G185-I189 PolarHBondContact N-O 2.83Å; G185-Y190 PolarHBondContact O-OH 3.43Å; G185-G271 WeakPolarHBondContact O-CA 3.44Å |
| 186 | V | 95 | Very high | 94 | Very high | 10 Ų | 10 | 22.4 Ų | 22.4 | 6% | 0.061 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -63.4 | -23.1 | 178 | -54.9 | 0 | 0 | 0 | 0 | 113.3 | Y59 I147 V183 T184 R272 V354 | Y59-V186 HydrophobicContact CD1-CB 4.49Å; Y59-V186 HydrophobicContact CD1-CG2 3.66Å; Y59-V186 HydrophobicContact CD2-CB 4.15Å; Y59-V186 HydrophobicContact CD2-CG2 4.01Å; Y59-V186 WeakPolarHBondContact CD2-O 3.22Å; Y59-V186 HydrophobicContact CE1-CB 4.29Å; Y59-V186 HydrophobicContact CE1-CG2 3.78Å; Y59-V186 HydrophobicContact CE2-CB 3.96Å; Y59-V186 HydrophobicContact CE2-CG2 4.15Å; Y59-V186 HydrophobicContact CG-CB 4.42Å; Y59-V186 HydrophobicContact CG-CG2 3.78Å; I147-V186 HydrophobicContact CD1-CG1 4.1Å; I147-V186 HydrophobicContact CG1-CG1 4.4Å; I147-V186 HydrophobicContact CG1-CG2 4.3Å; I147-V186 HydrophobicContact CG2-CG1 4.39Å; I147-V186 HydrophobicContact CG2-CG2 4.25Å; V183-V186 WeakPolarHBondContact O-CG2 3.43Å; T184-V186 VanDerWaalsContact C-N 3.29Å; T184-V186 PolarHBondContact O-N 2.85Å; V186-R272 HydrophobicContact CG1-CG 3.83Å; V186-V354 HydrophobicContact CB-CG1 3.74Å; V186-V354 HydrophobicContact CG1-CG1 4.18Å |
| 187 | A | 94.9 | Very high | 94 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.033 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -96.6 | 7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S57 I64 T184 G185 | S57-A187 WeakPolarHBondContact CB-O 3.45Å; S57-A187 PolarHBondContact OG-O 3.26Å; I64-A187 HydrophobicContact CB-CB 4.5Å; I64-A187 HydrophobicContact CD1-CB 3.47Å; I64-A187 VanDerWaalsContact CD1-CB 3.47Å; I64-A187 HydrophobicContact CG1-CB 4.31Å; T184-A187 PolarHBondContact O-N 3.22Å; G185-A187 PolarHBondContact O-N 3.23Å |
| 188 | G | 94.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 18.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L37 T38 T184 G185 | L37-G188 CarbonylContact C-O 3.47Å; L37-G188 VanDerWaalsContact CA-O 3.29Å; L37-G188 WeakPolarHBondContact CA-O 3.31Å; T38-G188 PolarHBondContact N-O 2.96Å; T38-G188 VanDerWaalsContact OG1-CA 3.31Å; T38-G188 WeakPolarHBondContact OG1-CA 3.25Å; T184-G188 PolarHBondContact O-N 2.95Å; G185-G188 WeakPolarHBondContact O-CA 3.32Å; G185-G188 PolarHBondContact O-N 3.33Å |
| 189 | I | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.8 | 177.1 | -54.3 | 170.4 | 0 | 0 | 0 | 109.7 | L35 L37 A41 A55 V66 T184 G185 | L35-I189 HydrophobicContact CD1-CG2 4.3Å; L37-I189 HydrophobicContact CD2-CB 4.35Å; L37-I189 HydrophobicContact CD2-CG1 4Å; L37-I189 HydrophobicContact CD2-CG2 4.03Å; A41-I189 HydrophobicContact CB-CD1 4.44Å; A41-I189 HydrophobicContact CB-CG1 3.67Å; A55-I189 HydrophobicContact CB-CD1 4Å; A55-I189 HydrophobicContact CB-CG1 4.28Å; A55-I189 HydrophobicContact CB-CG2 4.12Å; V66-I189 HydrophobicContact CB-CD1 4.27Å; V66-I189 HydrophobicContact CB-CG2 3.83Å; V66-I189 HydrophobicContact CG1-CG2 3.98Å; V66-I189 HydrophobicContact CG2-CB 4.03Å; V66-I189 HydrophobicContact CG2-CD1 3.61Å; V66-I189 HydrophobicContact CG2-CG1 4.42Å; V66-I189 HydrophobicContact CG2-CG2 3.7Å; T184-I189 CarbonylContact C-O 3.59Å; T184-I189 VanDerWaalsContact C-O 3.23Å; T184-I189 WeakPolarHBondContact CB-O 3.3Å; T184-I189 PolarHBondContact O-N 3.16Å; T184-I189 PolarHBondContact OG1-O 2.84Å; G185-I189 PolarHBondContact N-O 2.83Å |
| 190 | Y | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.4 | -177.5 | -61.7 | -96.3 | 0 | 0 | 0 | 111.1 | L35 V36 T38 I175 N181 G185 L251 G271 | L35-Y190 CarbonylContact C-O 3.53Å; L35-Y190 WeakPolarHBondContact CA-O 3.46Å; V36-Y190 PolarHBondContact N-O 3.3Å; V36-Y190 PolarHBondContact O-N 3.3Å; T38-Y190 HydrophobicContact CG2-CE2 4.45Å; I175-Y190 HydrophobicContact CG2-CD1 3.94Å; I175-Y190 HydrophobicContact CG2-CE1 3.74Å; N181-Y190 HydrophobicContact CB-CD1 4.38Å; N181-Y190 WeakPolarHBondContact OD1-CA 3.34Å; G185-Y190 PolarHBondContact O-OH 3.43Å; Y190-L251 HydrophobicContact CD1-CD1 4.4Å; Y190-L251 HydrophobicContact CD2-CD1 3.77Å; Y190-L251 HydrophobicContact CE1-CD1 4.06Å; Y190-L251 HydrophobicContact CE2-CD1 3.4Å; Y190-L251 VanDerWaalsContact CE2-CD1 3.4Å; Y190-L251 HydrophobicContact CG-CD1 4.25Å; Y190-G271 VanDerWaalsContact OH-CA 3.24Å; Y190-G271 WeakPolarHBondContact OH-CA 3.33Å; Y190-G271 PolarHBondContact OH-N 3.31Å; Y190-G271 PolarHBondContact OH-O 2.85Å |
| 191 | F | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 143.9 | 165 | -58.8 | -93.6 | 0 | 0 | 0 | 109.4 | L35 V66 L67 A136 G160 A162 L174 F178 N181 T184 | L35-F191 HydrophobicContact CD2-CB 4.43Å; L35-F191 HydrophobicContact CD2-CD1 3.56Å; L35-F191 HydrophobicContact CD2-CE1 3.99Å; L35-F191 HydrophobicContact CD2-CG 4.01Å; V66-F191 HydrophobicContact CG1-CE1 3.6Å; V66-F191 HydrophobicContact CG1-CE2 3.83Å; V66-F191 HydrophobicContact CG1-CZ 3.22Å; L67-F191 WeakPolarHBondContact O-CE1 3.3Å; A136-F191 HydrophobicContact CB-CE1 4.43Å; A136-F191 HydrophobicContact CB-CE2 4.15Å; A136-F191 HydrophobicContact CB-CZ 3.92Å; G160-F191 VanDerWaalsContact O-CD1 3.26Å; G160-F191 WeakPolarHBondContact O-CD1 3.35Å; G160-F191 WeakPolarHBondContact O-CE1 3.32Å; A162-F191 HydrophobicContact CB-CB 3.56Å; L174-F191 WeakPolarHBondContact CD2-O 3.29Å; F178-F191 HydrophobicContact CD1-CB 3.97Å; F178-F191 HydrophobicContact CD1-CD2 4.06Å; F178-F191 HydrophobicContact CD1-CG 4.25Å; F178-F191 HydrophobicContact CE1-CB 3.73Å; F178-F191 HydrophobicContact CE1-CD1 4.37Å; F178-F191 AromaticContact CE1-CD2 3.59Å; F178-F191 HydrophobicContact CE1-CD2 3.59Å; F178-F191 HydrophobicContact CE1-CE2 4.22Å; F178-F191 AromaticContact CE1-CG 3.65Å; F178-F191 HydrophobicContact CE1-CG 3.65Å; N181-F191 PolarHBondContact ND2-O 3.27Å; N181-F191 VanDerWaalsContact ND2-O 3.1Å; N181-F191 WeakPolarHBondContact OD1-CD2 3.43Å; N181-F191 PolarHBondContact OD1-N 3.32Å; T184-F191 HydrophobicContact CG2-CE2 4.01Å |
| 192 | T | 94.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 165.8 | -178.9 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | C33 N34 V36 A162 Q194 M218 | C33-T192 WeakPolarHBondContact CB-O 3.5Å; N34-T192 WeakPolarHBondContact O-CB 3.45Å; N34-T192 WeakPolarHBondContact O-CG2 3.45Å; N34-T192 PolarHBondContact O-N 3.02Å; N34-T192 PolarHBondContact O-OG1 2.87Å; V36-T192 HydrophobicContact CB-CG2 4.02Å; V36-T192 HydrophobicContact CG2-CG2 3.52Å; A162-T192 WeakPolarHBondContact CB-O 3.34Å; T192-Q194 PolarHBondContact O-N 3.08Å; T192-Q194 PolarHBondContact OG1-N 3.22Å; T192-M218 HydrophobicContact CG2-SD 3.47Å; T192-M218 WeakPolarHBondContact CG2-SD 3.23Å |
| 193 | A | 92.2 | Very high | 92.3 | Very high | 50 Ų | 50 | 31.9 Ų | 31.9 | 41% | 0.413 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | -6.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | W163 A166 L174 | W163-A193 VanDerWaalsContact CB-O 3.28Å; W163-A193 WeakPolarHBondContact CB-O 3.24Å; A166-A193 HydrophobicContact CB-CB 3.77Å; L174-A193 HydrophobicContact CD1-CB 3.72Å |
| 194 | Q | 91.2 | Very high | 91.9 | Very high | 63 Ų | 63 | 34.1 Ų | 34.1 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.7 | -179.3 | -176.8 | -178.5 | 12 | 0 | 0 | 109.9 | C33 N34 H51 T192 H216 | C33-Q194 CarbonylContact C-O 3.57Å; C33-Q194 VanDerWaalsContact CA-O 3.25Å; C33-Q194 WeakPolarHBondContact CA-O 3.23Å; C33-Q194 WeakPolarHBondContact CB-O 3.47Å; N34-Q194 HydrophobicContact CB-CB 4.13Å; N34-Q194 HydrophobicContact CB-CG 4.22Å; N34-Q194 PolarHBondContact N-O 3.13Å; N34-Q194 PolarHBondContact ND2-OE1 3.32Å; H51-Q194 PolarHBondContact NE2-NE2 2.92Å; T192-Q194 PolarHBondContact O-N 3.08Å; T192-Q194 PolarHBondContact OG1-N 3.22Å; Q194-H216 PolarHBondContact NE2-CE1 3.12Å; Q194-H216 PolarHBondContact NE2-ND1 3.12Å |
| 195 | Y | 91.9 | Very high | 91.3 | Very high | 131 Ų | 131 | 39.1 Ų | 39.1 | 51% | 0.514 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 135.7 | 171.5 | -62 | -79.6 | 0 | 0 | 0 | 110.5 | V31 W163 | V31-Y195 HydrophobicContact CG1-CD1 3.63Å; V31-Y195 HydrophobicContact CG1-CE1 4.38Å; V31-Y195 HydrophobicContact CG1-CG 4.46Å; W163-Y195 HydrophobicContact CB-CD1 4.32Å; W163-Y195 HydrophobicContact CB-CE1 4.16Å; W163-Y195 AromaticContact CD1-CD1 3.8Å; W163-Y195 AromaticContact CD2-CD1 3.81Å; W163-Y195 HydrophobicContact CD2-CD1 3.81Å; W163-Y195 AromaticContact CD2-CE1 3.24Å; W163-Y195 HydrophobicContact CD2-CE1 3.24Å; W163-Y195 AromaticContact CE2-CE1 3.69Å; W163-Y195 HydrophobicContact CE3-CD1 4.35Å; W163-Y195 AromaticContact CE3-CE1 3.35Å; W163-Y195 HydrophobicContact CE3-CE1 3.35Å; W163-Y195 AromaticContact CE3-CZ 3.78Å; W163-Y195 AromaticContact CG-CD1 3.75Å; W163-Y195 HydrophobicContact CG-CD1 3.75Å; W163-Y195 AromaticContact CG-CE1 3.59Å; W163-Y195 HydrophobicContact CG-CE1 3.59Å; W163-Y195 HydrophobicContact CH2-CE1 4.34Å; W163-Y195 HydrophobicContact CZ2-CE1 4.24Å; W163-Y195 AromaticContact CZ3-CE1 3.92Å; W163-Y195 HydrophobicContact CZ3-CE1 3.92Å; W163-Y195 AromaticContact NE1-CD1 3.98Å |
| 196 | G | 88.3 | Confident | 91 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -88.5 | 134 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | P32 A198 | P32-G196 WeakPolarHBondContact CD-O 3.49Å; P32-G196 WeakPolarHBondContact CG-O 3.26Å; P32-G196 PolarHBondContact O-N 3Å; G196-A198 PolarHBondContact O-N 3Å |
| 197 | E | 87.6 | Confident | 90.8 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 47% | 0.467 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 120.6 | 172 | -177.3 | 176.3 | -171.4 | 0 | 0 | 109.4 | N47 Q49 H51 E199 | N47-E197 WeakPolarHBondContact ND2-CB 3.43Å; N47-E197 PolarHBondContact ND2-O 2.96Å; Q49-E197 VanDerWaalsContact CG-OE2 3.25Å; Q49-E197 WeakPolarHBondContact CG-OE2 3.44Å; H51-E197 PolarHBondContact ND1-N 2.84Å; E197-E199 HydrophobicContact CG-CG 4.22Å; E197-E199 PolarHBondContact O-N 2.9Å |
| 198 | A | 83.8 | Confident | 90.5 | Very high | 30 Ų | 30 | 47 Ų | 47 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -77 | 117.9 | 178 | 0 | 0 | 0 | 0 | 0 | 110 | L26 G196 | L26-A198 WeakPolarHBondContact O-CB 3.3Å; G196-A198 PolarHBondContact O-N 3Å |
| 199 | E | 89.8 | Confident | 90.1 | Very high | 27 Ų | 27 | 50 Ų | 50 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | trans | -129 | 162.4 | -176.7 | -70.7 | 174 | -145.9 | 0 | 0 | 109.8 | L26 N47 S48 E197 L201 | L26-E199 WeakPolarHBondContact CB-O 3.44Å; L26-E199 PolarHBondContact N-O 3.45Å; N47-E199 HydrophobicContact CB-CG 4.4Å; N47-E199 PolarHBondContact ND2-OE1 3.17Å; S48-E199 VanDerWaalsContact CB-OE2 3.27Å; S48-E199 WeakPolarHBondContact CB-OE2 3.49Å; S48-E199 PolarHBondContact N-OE1 2.61Å; S48-E199 PolarHBondContact N-OE2 2.69Å; S48-E199 VanDerWaalsContact OG-CD 3.25Å; S48-E199 PolarHBondContact OG-OE1 2.92Å; S48-E199 PolarHBondContact OG-OE2 2.71Å; S48-E199 VanDerWaalsContact OG-OE2 3.08Å; E197-E199 HydrophobicContact CG-CG 4.22Å; E197-E199 PolarHBondContact O-N 2.9Å; E199-L201 HydrophobicContact CB-CD2 3.58Å; E199-L201 HydrophobicContact CB-CG 3.91Å; E199-L201 WeakPolarHBondContact OE2-CD2 3.37Å | ||
| 200 | K | 90.3 | Very high | 89.7 | Confident | 97 Ų | 97 | 51.2 Ų | 51.2 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.9 | 166.7 | -175.3 | 165.8 | 176.8 | 164.9 | 0 | 107.9 | E23 D25 Q27 | E23-K200 HydrophobicContact CG-CG 3.99Å; E23-K200 WeakPolarHBondContact OE1-CE 3.29Å; E23-K200 IonicContact OE1-NZ 3.34Å; E23-K200 PolarHBondContact OE1-NZ 3.02Å; E23-K200 WeakPolarHBondContact OE2-CE 3.5Å; E23-K200 WeakPolarHBondContact OE2-CG 3.43Å; D25-K200 HydrophobicContact CB-CG 4.39Å; Q27-K200 HydrophobicContact CG-CB 4.32Å |
| 201 | L | 89.8 | Confident | 89.1 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.6 | -160.3 | -65.7 | 173.4 | 0 | 0 | 0 | 111.5 | E23 V24 L26 V45 N47 L53 E199 | E23-L201 CarbonylContact C-O 3.31Å; E23-L201 VanDerWaalsContact CA-O 3.31Å; E23-L201 WeakPolarHBondContact CA-O 3.26Å; V24-L201 PolarHBondContact N-O 3.29Å; V24-L201 PolarHBondContact O-N 3.37Å; L26-L201 HydrophobicContact CD1-CD1 4.08Å; V45-L201 HydrophobicContact CG1-CD1 3.51Å; N47-L201 HydrophobicContact CB-CD1 4.15Å; N47-L201 HydrophobicContact CB-CD2 4.02Å; L53-L201 HydrophobicContact CD1-CD1 4.09Å; E199-L201 HydrophobicContact CB-CD2 3.58Å; E199-L201 HydrophobicContact CB-CG 3.91Å; E199-L201 WeakPolarHBondContact OE2-CD2 3.37Å |
| 202 | P | 90.1 | Very high | 88.7 | Confident | 105 Ų | 105 | 55.6 Ų | 55.6 | 68% | 0.682 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 141.5 | 168.3 | 29.6 | -33.3 | 0 | 0 | 0 | 109.7 | ||
| 203 | I | 89.1 | Confident | 88.2 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 16% | 0.159 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 125.9 | -179.5 | -64.3 | -60.6 | 0 | 0 | 0 | 110.9 | I18 I21 Q22 V24 V45 | I18-I203 HydrophobicContact CB-CG2 3.64Å; I18-I203 HydrophobicContact CD1-CG2 3.64Å; I18-I203 HydrophobicContact CG1-CG2 4.26Å; I18-I203 HydrophobicContact CG2-CG2 3.56Å; I21-I203 HydrophobicContact CG2-CG1 4.08Å; Q22-I203 PolarHBondContact O-N 2.96Å; V24-I203 HydrophobicContact CB-CD1 4.39Å; V24-I203 HydrophobicContact CG2-CD1 3.66Å; V24-I203 HydrophobicContact CG2-CG1 3.82Å; V45-I203 HydrophobicContact CG2-CD1 4.38Å |
| 204 | S | 86.4 | Confident | 87.7 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 33% | 0.329 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 148.7 | 175.8 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | Y14 I18 E206 | Y14-S204 WeakPolarHBondContact CE1-O 3.14Å; Y14-S204 PolarHBondContact OH-O 3.02Å; I18-S204 WeakPolarHBondContact CD1-O 3.4Å; S204-E206 VanDerWaalsContact CB-O 3.27Å; S204-E206 WeakPolarHBondContact CB-O 3.35Å; S204-E206 PolarHBondContact O-N 3.42Å; S204-E206 PolarHBondContact OG-N 3.41Å; S204-E206 PolarHBondContact OG-O 3.21Å |
| 205 | P | 85.8 | Confident | 86.9 | Confident | 105 Ų | 105 | 51.4 Ų | 51.4 | 68% | 0.682 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -70.2 | -16.3 | 169.2 | 29.6 | -34.9 | 0 | 0 | 0 | 113.2 | ||
| 206 | E | 88.4 | Confident | 86.2 | Confident | 135 Ų | 135 | 46.7 Ų | 46.7 | 63% | 0.631 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -113.9 | 153.3 | 178.5 | -61.7 | -173.5 | 174.5 | 0 | 0 | 111.6 | Y14 S204 | Y14-E206 WeakPolarHBondContact CE1-O 3.44Å; Y14-E206 PolarHBondContact OH-O 2.95Å; S204-E206 VanDerWaalsContact CB-O 3.27Å; S204-E206 WeakPolarHBondContact CB-O 3.35Å; S204-E206 PolarHBondContact O-N 3.42Å; S204-E206 PolarHBondContact OG-N 3.41Å; S204-E206 PolarHBondContact OG-O 3.21Å |
| 207 | I | 90.2 | Very high | 85.4 | Confident | 25 Ų | 25 | 48.1 Ų | 48.1 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | trans | -49.6 | 124.8 | 176.2 | -67 | 172.8 | 0 | 0 | 0 | 109 | P10 Y14 F42 P43 S209 I461 | P10-I207 HydrophobicContact CB-CD1 3.94Å; Y14-I207 HydrophobicContact CD1-CG1 4.04Å; Y14-I207 HydrophobicContact CD2-CG1 3.92Å; Y14-I207 HydrophobicContact CG-CG1 3.6Å; F42-I207 HydrophobicContact CD2-CD1 4.19Å; F42-I207 HydrophobicContact CD2-CG1 4.48Å; P43-I207 HydrophobicContact CG-CG2 3.87Å; I207-S209 PolarHBondContact O-N 3.08Å; I207-I461 HydrophobicContact CD1-CD1 4.2Å; I207-I461 HydrophobicContact CG2-CD1 4.39Å | ||
| 208 | P | 89.4 | Confident | 85.1 | Confident | 20 Ų | 20 | 44.1 Ų | 44.1 | 13% | 0.13 | 25% | 0.252 | C | S | . | . | trans | -64.3 | 137.5 | -174.4 | 25.3 | -34.3 | 0 | 0 | 0 | 111 | Y14 P43 M46 | Y14-P208 VanDerWaalsContact CE2-CD 3.44Å; P43-P208 HydrophobicContact CB-CG 4.18Å; P43-P208 HydrophobicContact CG-CG 4.19Å; P43-P208 VanDerWaalsContact CG-O 3.29Å; P43-P208 WeakPolarHBondContact CG-O 3.41Å; M46-P208 HydrophobicContact CB-CB 3.83Å; M46-P208 HydrophobicContact CB-CG 3.98Å; M46-P208 WeakPolarHBondContact CE-O 3.41Å | ||
| 209 | S | 86.3 | Confident | 85.1 | Confident | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 27% | 0.269 | S | S | . | . | trans | -133.5 | 144 | 175.5 | 66.5 | 0 | 0 | 0 | 0 | 109.9 | I207 | I207-S209 PolarHBondContact O-N 3.08Š| ||
| 210 | S | 86.4 | Confident | 85.1 | Confident | 26 Ų | 26 | 46.8 Ų | 46.8 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -151.9 | 133.9 | 175 | 174.7 | 0 | 0 | 0 | 0 | 108.3 | M46 K212 T213 | M46-S210 VanDerWaalsContact SD-CB 3.57Å; S210-K212 PolarHBondContact O-N 2.78Å; S210-K212 PolarHBondContact OG-N 3.43Å; S210-T213 WeakPolarHBondContact O-CB 3.39Å; S210-T213 VanDerWaalsContact O-CG2 3.3Å; S210-T213 WeakPolarHBondContact O-CG2 3.32Å; S210-T213 PolarHBondContact O-N 3.35Å; S210-T213 PolarHBondContact O-OG1 2.81Å | ||
| 211 | W | 84.4 | Confident | 85.1 | Confident | 43 Ų | 43 | 46.2 Ų | 46.2 | 16% | 0.163 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -65.3 | -22.7 | 177.4 | 67.7 | -95.8 | 0 | 0 | 0 | 113.2 | T213 V214 H422 A425 L429 E430 L469 | W211-T213 PolarHBondContact O-N 3.46Å; W211-V214 VanDerWaalsContact O-CB 3.32Å; W211-V214 WeakPolarHBondContact O-CB 3.28Å; W211-V214 WeakPolarHBondContact O-CG2 3.35Å; W211-V214 PolarHBondContact O-N 2.94Å; W211-V214 VanDerWaalsContact O-N 3.08Å; W211-H422 AromaticContact CZ3-CD2 3.73Å; W211-H422 AromaticContact CZ3-NE2 3.76Å; W211-A425 HydrophobicContact CD2-CB 4.4Å; W211-A425 HydrophobicContact CE3-CB 3.68Å; W211-A425 HydrophobicContact CZ3-CB 3.87Å; W211-L429 HydrophobicContact CD2-CD1 4.3Å; W211-L429 HydrophobicContact CG-CD1 4.41Å; W211-E430 HydrophobicContact CH2-CG 4.39Å; W211-E430 WeakPolarHBondContact CH2-OE1 3.37Å; W211-E430 HydrophobicContact CZ2-CG 4.27Å; W211-E430 VanDerWaalsContact CZ2-OE1 3.31Å; W211-E430 WeakPolarHBondContact CZ2-OE1 3.12Å; W211-L469 HydrophobicContact CB-CB 3.8Å; W211-L469 HydrophobicContact CB-CD1 3.25Å; W211-L469 HydrophobicContact CB-CD2 4.01Å; W211-L469 HydrophobicContact CB-CG 3.84Å; W211-L469 HydrophobicContact CD2-CD1 4.3Å; W211-L469 HydrophobicContact CE3-CD1 4.49Å; W211-L469 HydrophobicContact CG-CD1 3.82Å |
| 212 | K | 86.9 | Confident | 85.1 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 21% | 0.213 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -62.5 | -23.7 | 176.4 | -63.4 | -178 | 177.1 | 179.1 | 0 | 112.1 | S48 Q49 S210 V214 G215 | S48-K212 PolarHBondContact O-NZ 2.95Å; S48-K212 VanDerWaalsContact O-NZ 3.13Å; Q49-K212 WeakPolarHBondContact O-CB 3.37Å; S210-K212 PolarHBondContact O-N 2.78Å; S210-K212 PolarHBondContact OG-N 3.43Å; K212-V214 PolarHBondContact O-N 3.19Å; K212-G215 PolarHBondContact O-N 3.01Å; K212-G215 VanDerWaalsContact O-N 3.09Å |
| 213 | T | 84.3 | Confident | 85.2 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -60.4 | -25.9 | 174.6 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | M46 G50 S210 W211 G215 H216 Q465 | M46-T213 HydrophobicContact CE-CG2 3.54Å; M46-T213 HydrophobicContact SD-CG2 3.7Å; G50-T213 WeakPolarHBondContact O-CG2 3.28Å; S210-T213 WeakPolarHBondContact O-CB 3.39Å; S210-T213 VanDerWaalsContact O-CG2 3.3Å; S210-T213 WeakPolarHBondContact O-CG2 3.32Å; S210-T213 PolarHBondContact O-N 3.35Å; S210-T213 PolarHBondContact O-OG1 2.81Å; W211-T213 PolarHBondContact O-N 3.46Å; T213-G215 PolarHBondContact O-N 2.87Å; T213-H216 PolarHBondContact O-N 2.92Å; T213-Q465 PolarHBondContact OG1-OE1 3.23Å; T213-Q465 VanDerWaalsContact OG1-OE1 3.13Å |
| 214 | V | 81.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -67.1 | -27.7 | 179.7 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | W211 K212 R418 L421 H422 L469 | W211-V214 VanDerWaalsContact O-CB 3.32Å; W211-V214 WeakPolarHBondContact O-CB 3.28Å; W211-V214 WeakPolarHBondContact O-CG2 3.35Å; W211-V214 PolarHBondContact O-N 2.94Å; W211-V214 VanDerWaalsContact O-N 3.08Å; K212-V214 PolarHBondContact O-N 3.19Å; V214-R418 HydrophobicContact CG1-CB 4.07Å; V214-R418 WeakPolarHBondContact CG1-O 3.28Å; V214-L421 HydrophobicContact CG1-CB 4.4Å; V214-L421 HydrophobicContact CG1-CD2 4.2Å; V214-L421 HydrophobicContact CG1-CG 4.37Å; V214-H422 HydrophobicContact CG1-CB 4.4Å; V214-L469 HydrophobicContact CB-CD2 4.34Å; V214-L469 HydrophobicContact CG2-CD2 3.88Å |
| 215 | G | 75 | Confident | 85.8 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -77.5 | -20.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K212 T213 V217 H422 | K212-G215 PolarHBondContact O-N 3.01Å; K212-G215 VanDerWaalsContact O-N 3.09Å; T213-G215 PolarHBondContact O-N 2.87Å; G215-V217 PolarHBondContact O-N 3.24Å; G215-H422 VanDerWaalsContact CA-CD2 3.4Å; G215-H422 WeakPolarHBondContact CA-CD2 3.37Å; G215-H422 PolarHBondContact N-CD2 3.15Å |
| 216 | H | 76.3 | Confident | 86.2 | Confident | 32 Ų | 32 | 46 Ų | 46 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | trans | -84.9 | 100.9 | -177.6 | -57.5 | -44.9 | 0 | 0 | 0 | 110.2 | Q49 G50 H51 Q194 T213 | Q49-H216 PolarHBondContact O-NE2 3.06Å; G50-H216 PolarHBondContact O-CD2 2.83Å; H51-H216 AromaticContact CD2-CD2 3.98Å; H51-H216 AromaticContact CD2-CE1 3.62Å; H51-H216 AromaticContact CD2-NE2 3.45Å; H51-H216 PolarHBondContact CD2-NE2 2.95Å; H51-H216 AromaticContact NE2-CE1 3.52Å; H51-H216 AromaticContact NE2-NE2 3.77Å; Q194-H216 PolarHBondContact NE2-CE1 3.12Å; Q194-H216 PolarHBondContact NE2-ND1 3.12Å; T213-H216 PolarHBondContact O-N 2.92Å | ||
| 217 | V | 71.1 | Confident | 86.6 | Confident | 33 Ų | 33 | 39.6 Ų | 39.6 | 20% | 0.2 | 20% | 0.203 | C | C | . | . | trans | -119.7 | 153.6 | 178.5 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | G215 Y416 R418 | G215-V217 PolarHBondContact O-N 3.24Å; V217-Y416 HydrophobicContact CG1-CE1 4.36Å; V217-R418 HydrophobicContact CG1-CB 4.47Å | ||
| 218 | M | 82.7 | Confident | 86.9 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | trans | -72.3 | 155.8 | 172.2 | -69 | -64.4 | -76.3 | 0 | 0 | 111.2 | L174 I175 T192 F220 L251 | L174-M218 HydrophobicContact CD2-CE 3.73Å; I175-M218 HydrophobicContact CD1-CB 4.35Å; I175-M218 HydrophobicContact CD1-CE 3.93Å; I175-M218 HydrophobicContact CD1-CG 4.35Å; I175-M218 HydrophobicContact CG1-CE 3.4Å; I175-M218 VanDerWaalsContact CG1-CE 3.4Å; T192-M218 HydrophobicContact CG2-SD 3.47Å; T192-M218 WeakPolarHBondContact CG2-SD 3.23Å; M218-F220 HydrophobicContact CB-CE1 4Å; M218-F220 HydrophobicContact CB-CE2 4.02Å; M218-F220 HydrophobicContact CB-CZ 3.54Å; M218-F220 WeakPolarHBondContact O-CD2 3.41Å; M218-F220 VanDerWaalsContact O-CE2 3.29Å; M218-F220 WeakPolarHBondContact O-CE2 3.36Å; M218-L251 HydrophobicContact CB-CD2 4.38Å; M218-L251 HydrophobicContact CG-CD2 3.62Å | ||
| 219 | D | 83.1 | Confident | 87.2 | Confident | 111 Ų | 111 | 45.6 Ų | 45.6 | 59% | 0.594 | 23% | 0.227 | S | C | * | . | trans | -85.1 | 122.6 | 172.6 | -176.9 | 6.5 | 0 | 0 | 0 | 110.6 | K221 | D219-K221 WeakPolarHBondContact OD1-CB 3.18Å; D219-K221 PolarHBondContact OD1-N 2.9Å | ||
| 220 | F | 89.7 | Confident | 87.5 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.009 | 24% | 0.244 | C | C | . | . | trans | -112.6 | 9.6 | 180 | -58.2 | -67.4 | 0 | 0 | 0 | 113.4 | I175 M218 K222 D223 L224 L251 F253 Y269 I412 | I175-F220 HydrophobicContact CD1-CE1 3.88Å; M218-F220 HydrophobicContact CB-CE1 4Å; M218-F220 HydrophobicContact CB-CE2 4.02Å; M218-F220 HydrophobicContact CB-CZ 3.54Å; M218-F220 WeakPolarHBondContact O-CD2 3.41Å; M218-F220 VanDerWaalsContact O-CE2 3.29Å; M218-F220 WeakPolarHBondContact O-CE2 3.36Å; F220-K222 VanDerWaalsContact C-N 3.29Å; F220-K222 PolarHBondContact O-N 3.18Å; F220-D223 WeakPolarHBondContact O-CB 3.28Å; F220-D223 PolarHBondContact O-N 3.21Å; F220-D223 VanDerWaalsContact O-N 3.08Å; F220-L224 PolarHBondContact O-N 3.41Å; F220-L251 WeakPolarHBondContact CZ-O 3.13Å; F220-F253 HydrophobicContact CB-CB 4.13Å; F220-F253 HydrophobicContact CB-CD1 3.86Å; F220-F253 HydrophobicContact CB-CD2 4.19Å; F220-F253 HydrophobicContact CB-CE1 4.3Å; F220-F253 HydrophobicContact CB-CG 3.8Å; F220-F253 AromaticContact CD1-CD1 3.41Å; F220-F253 HydrophobicContact CD1-CD1 3.41Å; F220-F253 VanDerWaalsContact CD1-CD1 3.41Å; F220-F253 AromaticContact CD1-CE1 3.66Å; F220-F253 HydrophobicContact CD1-CE1 3.66Å; F220-F253 HydrophobicContact CD1-CG 4.21Å; F220-F253 HydrophobicContact CD2-CB 3.62Å; F220-F253 AromaticContact CD2-CD1 3.82Å; F220-F253 HydrophobicContact CD2-CD1 3.82Å; F220-F253 AromaticContact CD2-CG 3.96Å; F220-F253 HydrophobicContact CD2-CG 3.96Å; F220-F253 AromaticContact CE1-CD1 3.86Å; F220-F253 HydrophobicContact CE1-CD1 3.86Å; F220-F253 HydrophobicContact CE1-CE1 4.2Å; F220-F253 HydrophobicContact CE2-CB 4.22Å; F220-F253 HydrophobicContact CE2-CD1 4.21Å; F220-F253 HydrophobicContact CG-CB 3.91Å; F220-F253 AromaticContact CG-CD1 3.38Å; F220-F253 HydrophobicContact CG-CD1 3.38Å; F220-F253 HydrophobicContact CG-CE1 4.01Å; F220-F253 AromaticContact CG-CG 3.71Å; F220-F253 HydrophobicContact CG-CG 3.71Å; F220-F253 HydrophobicContact CZ-CD1 4.24Å; F220-Y269 HydrophobicContact CD1-CD2 4.4Å; F220-Y269 HydrophobicContact CD1-CE2 4.04Å; F220-Y269 AromaticContact CE1-CD2 3.87Å; F220-Y269 HydrophobicContact CE1-CD2 3.87Å; F220-Y269 AromaticContact CE1-CE2 3.94Å; F220-Y269 HydrophobicContact CE1-CE2 3.94Å; F220-I412 HydrophobicContact CB-CD1 3.59Å | ||
| 221 | K | 89.6 | Confident | 87.9 | Confident | 84 Ų | 84 | 46.3 Ų | 46.3 | 37% | 0.365 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -51.1 | -48.7 | -177.9 | 176.2 | 179.1 | 171.7 | -175.9 | 0 | 112 | D219 D223 L224 E225 P409 | D219-K221 WeakPolarHBondContact OD1-CB 3.18Å; D219-K221 PolarHBondContact OD1-N 2.9Å; K221-D223 VanDerWaalsContact C-N 3.34Å; K221-D223 PolarHBondContact O-N 2.73Å; K221-L224 PolarHBondContact O-N 3.18Å; K221-E225 WeakPolarHBondContact CE-OE1 3.27Å; K221-E225 HydrophobicContact CG-CG 4.49Å; K221-E225 WeakPolarHBondContact O-CG 3.15Å; K221-E225 PolarHBondContact O-N 2.96Å; K221-P409 HydrophobicContact CG-CB 4.03Å |
| 222 | K | 89.6 | Confident | 88.3 | Confident | 98 Ų | 98 | 48.3 Ų | 48.3 | 43% | 0.426 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.9 | -35.7 | -179.2 | -66.6 | -171.6 | 177.3 | -166.4 | 0 | 113.1 | E170 F220 F226 | E170-K222 PolarHBondContact O-NZ 3.48Å; F220-K222 VanDerWaalsContact C-N 3.29Å; F220-K222 PolarHBondContact O-N 3.18Å; K222-F226 WeakPolarHBondContact O-CB 3.13Å; K222-F226 PolarHBondContact O-N 3.25Å |
| 223 | D | 92.9 | Very high | 88.6 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 175.5 | -73.3 | -57.2 | 0 | 0 | 0 | 110.9 | F220 K221 F226 L227 F253 Y269 R274 W299 | F220-D223 WeakPolarHBondContact O-CB 3.28Å; F220-D223 PolarHBondContact O-N 3.21Å; F220-D223 VanDerWaalsContact O-N 3.08Å; K221-D223 VanDerWaalsContact C-N 3.34Å; K221-D223 PolarHBondContact O-N 2.73Å; D223-F226 WeakPolarHBondContact O-CB 3.33Å; D223-F226 PolarHBondContact O-N 3.25Å; D223-L227 WeakPolarHBondContact O-CB 3.23Å; D223-L227 VanDerWaalsContact O-CG 3.26Å; D223-L227 WeakPolarHBondContact O-CG 3.29Å; D223-L227 PolarHBondContact O-N 2.71Å; D223-F253 HydrophobicContact CB-CE2 4.37Å; D223-F253 HydrophobicContact CB-CZ 3.9Å; D223-Y269 PolarHBondContact OD1-OH 2.99Å; D223-Y269 WeakPolarHBondContact OD2-CE2 3.38Å; D223-Y269 PolarHBondContact OD2-OH 3.31Å; D223-R274 IonicContact OD1-NH2 2.95Å; D223-W299 HydrophobicContact CB-CZ2 4.45Å; D223-W299 PolarHBondContact OD1-NE1 3.07Å |
| 224 | L | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 177.5 | -168.1 | 61.1 | 0 | 0 | 0 | 111.9 | F220 K221 F226 L227 L228 I255 P407 P409 I412 | F220-L224 PolarHBondContact O-N 3.41Å; K221-L224 PolarHBondContact O-N 3.18Å; L224-F226 VanDerWaalsContact C-N 3.27Å; L224-F226 PolarHBondContact O-N 3.32Å; L224-L227 PolarHBondContact O-N 3.3Å; L224-L228 HydrophobicContact CD1-CD1 3.66Å; L224-L228 HydrophobicContact CD1-CD2 4.32Å; L224-L228 HydrophobicContact CD1-CG 3.76Å; L224-L228 HydrophobicContact CD2-CD1 4.11Å; L224-L228 HydrophobicContact CG-CD1 3.56Å; L224-L228 HydrophobicContact CG-CG 4.02Å; L224-L228 VanDerWaalsContact O-CB 3.28Å; L224-L228 WeakPolarHBondContact O-CB 3.24Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.47Å; L224-L228 PolarHBondContact O-N 3.1Å; L224-I255 HydrophobicContact CD1-CB 4.42Å; L224-I255 HydrophobicContact CD1-CG2 4.22Å; L224-P407 HydrophobicContact CD1-CG 4.48Å; L224-P407 HydrophobicContact CD2-CG 4.09Å; L224-P409 HydrophobicContact CB-CB 4.29Å; L224-P409 HydrophobicContact CD2-CB 4.22Å; L224-P409 HydrophobicContact CD2-CG 4.31Å; L224-P409 HydrophobicContact CG-CB 4.39Å; L224-P409 HydrophobicContact CG-CG 4.27Å; L224-I412 HydrophobicContact CB-CD1 3.68Å; L224-I412 HydrophobicContact CD2-CB 4.11Å; L224-I412 HydrophobicContact CD2-CD1 3.56Å; L224-I412 HydrophobicContact CD2-CG1 4.01Å; L224-I412 HydrophobicContact CG-CD1 4.1Å |
| 225 | E | 94.3 | Very high | 89.5 | Confident | 92 Ų | 92 | 49.3 Ų | 49.3 | 43% | 0.43 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.8 | -41.1 | 171.7 | -75.7 | 172.2 | 171.8 | 0 | 0 | 111.9 | K221 K229 P409 | K221-E225 WeakPolarHBondContact CE-OE1 3.27Å; K221-E225 HydrophobicContact CG-CG 4.49Å; K221-E225 WeakPolarHBondContact O-CG 3.15Å; K221-E225 PolarHBondContact O-N 2.96Å; E225-K229 PolarHBondContact O-N 3.2Å; E225-P409 HydrophobicContact CG-CB 3.72Å; E225-P409 HydrophobicContact CG-CG 3.81Å |
| 226 | F | 94.7 | Very high | 90.3 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 175.7 | -175.6 | -81.3 | 0 | 0 | 0 | 111.6 | K222 D223 L224 L228 K229 N295 D298 W299 | K222-F226 WeakPolarHBondContact O-CB 3.13Å; K222-F226 PolarHBondContact O-N 3.25Å; D223-F226 WeakPolarHBondContact O-CB 3.33Å; D223-F226 PolarHBondContact O-N 3.25Å; L224-F226 VanDerWaalsContact C-N 3.27Å; L224-F226 PolarHBondContact O-N 3.32Å; F226-L228 PolarHBondContact O-N 2.9Å; F226-K229 WeakPolarHBondContact O-CB 3.38Å; F226-K229 PolarHBondContact O-N 3.48Å; F226-N295 WeakPolarHBondContact CE1-O 3.14Å; F226-D298 HydrophobicContact CE1-CB 4.32Å; F226-D298 HydrophobicContact CZ-CB 4.18Å; F226-W299 HydrophobicContact CD1-CB 3.86Å; F226-W299 AromaticContact CD1-CD1 3.79Å; F226-W299 HydrophobicContact CD1-CG 4.2Å; F226-W299 HydrophobicContact CE1-CB 3.67Å; F226-W299 HydrophobicContact CE1-CG 4.41Å |
| 227 | L | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -38.2 | -177 | -71.9 | 166.4 | 0 | 0 | 0 | 112.3 | D223 L224 K229 F253 I255 I276 F292 N295 A296 W299 | D223-L227 WeakPolarHBondContact O-CB 3.23Å; D223-L227 VanDerWaalsContact O-CG 3.26Å; D223-L227 WeakPolarHBondContact O-CG 3.29Å; D223-L227 PolarHBondContact O-N 2.71Å; L224-L227 PolarHBondContact O-N 3.3Å; L227-K229 VanDerWaalsContact C-N 3.34Å; L227-F253 HydrophobicContact CD1-CE2 3.96Å; L227-F253 HydrophobicContact CD1-CZ 4.18Å; L227-I255 HydrophobicContact CD1-CD1 3.82Å; L227-I255 HydrophobicContact CD1-CG1 4.01Å; L227-I276 HydrophobicContact CD2-CD1 3.91Å; L227-F292 HydrophobicContact CB-CE2 4.37Å; L227-N295 WeakPolarHBondContact O-CB 3.43Å; L227-N295 PolarHBondContact O-ND2 3.43Å; L227-A296 HydrophobicContact CD2-CB 4.44Å; L227-W299 HydrophobicContact CD1-CD2 4.41Å; L227-W299 HydrophobicContact CD2-CB 3.74Å; L227-W299 HydrophobicContact CD2-CD2 4.1Å; L227-W299 HydrophobicContact CD2-CE3 4.37Å; L227-W299 HydrophobicContact CD2-CG 3.84Å; L227-W299 HydrophobicContact CG-CD2 4.46Å; L227-W299 HydrophobicContact CG-CG 4.24Å |
| 228 | L | 96.1 | Very high | 91 | Very high | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.7 | -177.6 | -60.4 | -177.9 | 0 | 0 | 0 | 113.9 | L224 F226 G230 I231 F234 I255 A406 P407 P409 | L224-L228 HydrophobicContact CD1-CD1 3.66Å; L224-L228 HydrophobicContact CD1-CD2 4.32Å; L224-L228 HydrophobicContact CD1-CG 3.76Å; L224-L228 HydrophobicContact CD2-CD1 4.11Å; L224-L228 HydrophobicContact CG-CD1 3.56Å; L224-L228 HydrophobicContact CG-CG 4.02Å; L224-L228 VanDerWaalsContact O-CB 3.28Å; L224-L228 WeakPolarHBondContact O-CB 3.24Å; L224-L228 VanDerWaalsContact O-CG 3.26Å; L224-L228 WeakPolarHBondContact O-CG 3.47Å; L224-L228 PolarHBondContact O-N 3.1Å; F226-L228 PolarHBondContact O-N 2.9Å; L228-G230 PolarHBondContact O-N 3Å; L228-I231 WeakPolarHBondContact O-CB 3.22Å; L228-I231 PolarHBondContact O-N 3.35Å; L228-F234 HydrophobicContact CD2-CE2 3.76Å; L228-F234 HydrophobicContact CD2-CZ 3.48Å; L228-F234 VanDerWaalsContact CD2-CZ 3.48Å; L228-I255 HydrophobicContact CD2-CG2 4.47Å; L228-A406 HydrophobicContact CD1-CB 4.14Å; L228-A406 HydrophobicContact CD2-CB 4.16Å; L228-P407 HydrophobicContact CD1-CG 4.11Å; L228-P407 VanDerWaalsContact CD1-O 3.27Å; L228-P407 WeakPolarHBondContact CD1-O 3.25Å; L228-P409 HydrophobicContact CD1-CG 4.4Å |
| 229 | K | 95.8 | Very high | 90.2 | Very high | 157 Ų | 157 | 60.7 Ų | 60.7 | 68% | 0.683 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 113.3 | 179.9 | -174.6 | 176.8 | 179.9 | 176.5 | 0 | 111.1 | E225 F226 L227 N295 | E225-K229 PolarHBondContact O-N 3.2Å; F226-K229 WeakPolarHBondContact O-CB 3.38Å; F226-K229 PolarHBondContact O-N 3.48Å; L227-K229 VanDerWaalsContact C-N 3.34Å; K229-N295 PolarHBondContact O-ND2 3.47Å |
| 230 | G | 93.7 | Very high | 89.8 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 83% | 0.825 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 13.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | L228 | L228-G230 PolarHBondContact O-N 3Š|
| 231 | I | 94.4 | Very high | 89.6 | Confident | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.138 | 32% | 0.323 | C | S | . | . | trans | -110.6 | 112.2 | -179.8 | -47.6 | -57.1 | 0 | 0 | 0 | 109.1 | L228 F234 F292 A406 | L228-I231 WeakPolarHBondContact O-CB 3.22Å; L228-I231 PolarHBondContact O-N 3.35Å; I231-F234 HydrophobicContact CG2-CE1 4.15Å; I231-F234 HydrophobicContact CG2-CE2 4.45Å; I231-F234 HydrophobicContact CG2-CZ 4.12Å; I231-F292 HydrophobicContact CD1-CB 3.93Å; I231-F292 HydrophobicContact CG1-CB 4.21Å; I231-A406 WeakPolarHBondContact O-CB 3.33Å | ||
| 232 | S | 93 | Very high | 89.7 | Confident | 86 Ų | 86 | 57 Ų | 57 | 60% | 0.601 | 31% | 0.305 | S | S | * | . | trans | -89.9 | -35.1 | 174.9 | 47.7 | 0 | 0 | 0 | 0 | 112.9 | A406 | S232-A406 WeakPolarHBondContact O-CB 3.25Å; S232-A406 PolarHBondContact O-N 3.27Å | ||
| 233 | D | 94.2 | Very high | 89.9 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 154.7 | -173 | 57.2 | -83.8 | 0 | 0 | 0 | 111.8 | V403 Y404 | D233-V403 HydrophobicContact CB-CG1 3.84Å; D233-V403 WeakPolarHBondContact OD2-CG1 3.29Å; D233-Y404 CarbonylContact C-O 3.59Å; D233-Y404 WeakPolarHBondContact CA-O 3.45Å; D233-Y404 WeakPolarHBondContact CB-O 3.08Å |
| 234 | F | 93 | Very high | 90 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 107.5 | 174.1 | -68.3 | -78.2 | 0 | 0 | 0 | 109.1 | L228 I231 I236 I255 F264 L265 L289 F292 V403 Y404 A406 | L228-F234 HydrophobicContact CD2-CE2 3.76Å; L228-F234 HydrophobicContact CD2-CZ 3.48Å; L228-F234 VanDerWaalsContact CD2-CZ 3.48Å; I231-F234 HydrophobicContact CG2-CE1 4.15Å; I231-F234 HydrophobicContact CG2-CE2 4.45Å; I231-F234 HydrophobicContact CG2-CZ 4.12Å; F234-I236 PolarHBondContact O-N 3.24Å; F234-I255 HydrophobicContact CZ-CG2 4.4Å; F234-F264 HydrophobicContact CB-CE2 3.77Å; F234-F264 HydrophobicContact CB-CZ 3.62Å; F234-F264 HydrophobicContact CD1-CE2 4.27Å; F234-F264 HydrophobicContact CD2-CE2 4.3Å; F234-F264 HydrophobicContact CD2-CZ 4.04Å; F234-F264 AromaticContact CG-CE2 3.88Å; F234-F264 HydrophobicContact CG-CE2 3.88Å; F234-F264 AromaticContact CG-CZ 3.92Å; F234-F264 HydrophobicContact CG-CZ 3.92Å; F234-L265 HydrophobicContact CD1-CD1 3.84Å; F234-L265 HydrophobicContact CE1-CD1 3.57Å; F234-L265 HydrophobicContact CZ-CD1 4.19Å; F234-L289 HydrophobicContact CD1-CD2 3.86Å; F234-F292 HydrophobicContact CE1-CB 4.42Å; F234-F292 HydrophobicContact CE1-CD1 4.32Å; F234-F292 AromaticContact CE1-CD2 3.83Å; F234-F292 HydrophobicContact CE1-CD2 3.83Å; F234-F292 HydrophobicContact CE1-CE2 4.18Å; F234-F292 AromaticContact CE1-CG 3.9Å; F234-F292 HydrophobicContact CE1-CG 3.9Å; F234-F292 HydrophobicContact CZ-CD2 4.15Å; F234-F292 HydrophobicContact CZ-CE2 4.29Å; F234-V403 WeakPolarHBondContact O-CA 3.45Å; F234-Y404 PolarHBondContact N-O 3.19Å; F234-Y404 PolarHBondContact O-N 3.13Å; F234-A406 HydrophobicContact CE2-CB 4.17Å |
| 235 | D | 91.3 | Very high | 90.1 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.053 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 100.7 | 172.8 | -172.1 | -8.4 | 0 | 0 | 0 | 110.7 | R237 N286 K288 V403 | D235-R237 VanDerWaalsContact OD1-CB 3.29Å; D235-R237 WeakPolarHBondContact OD1-CB 3.44Å; D235-R237 WeakPolarHBondContact OD1-CG 3.32Å; D235-R237 IonicContact OD1-CZ 3.43Å; D235-R237 PolarHBondContact OD1-N 2.99Å; D235-R237 VanDerWaalsContact OD1-N 3.11Å; D235-R237 IonicContact OD1-NE 3.66Å; D235-R237 PolarHBondContact OD1-NE 3.45Å; D235-R237 IonicContact OD1-NH2 3.24Å; D235-R237 IonicContact OD2-CZ 2.96Å; D235-R237 IonicContact OD2-NE 3.64Å; D235-R237 PolarHBondContact OD2-NE 2.67Å; D235-R237 IonicContact OD2-NH2 3.54Å; D235-R237 PolarHBondContact OD2-NH2 2.79Å; D235-N286 PolarHBondContact O-ND2 3.26Å; D235-K288 HydrophobicContact CB-CB 4.46Å; D235-K288 HydrophobicContact CB-CD 3.88Å; D235-K288 WeakPolarHBondContact OD2-CD 3.38Å; D235-K288 WeakPolarHBondContact OD2-CE 3.21Å; D235-K288 IonicContact OD2-NZ 3.67Å; D235-K288 PolarHBondContact OD2-NZ 3.33Å; D235-V403 HydrophobicContact CB-CG2 4.24Å |
| 236 | I | 90.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -106 | 24.3 | 178.6 | 63.4 | 159.3 | 0 | 0 | 0 | 112.8 | F234 G238 P242 F264 F283 I399 G402 Y404 | F234-I236 PolarHBondContact O-N 3.24Å; I236-G238 PolarHBondContact O-N 2.91Å; I236-P242 HydrophobicContact CD1-CG 4.01Å; I236-F264 HydrophobicContact CD1-CD1 4.16Å; I236-F264 HydrophobicContact CD1-CE1 4.44Å; I236-F264 HydrophobicContact CD1-CG 4.25Å; I236-F264 HydrophobicContact CG2-CD2 4.16Å; I236-F264 HydrophobicContact CG2-CE2 4.04Å; I236-F283 HydrophobicContact CB-CE1 3.86Å; I236-F283 HydrophobicContact CB-CZ 3.78Å; I236-F283 HydrophobicContact CD1-CZ 4.27Å; I236-F283 HydrophobicContact CG2-CE1 3.88Å; I236-F283 HydrophobicContact CG2-CE2 4.02Å; I236-F283 HydrophobicContact CG2-CZ 3.56Å; I236-I399 HydrophobicContact CD1-CG2 4.04Å; I236-G402 VanDerWaalsContact CG1-O 3.24Å; I236-G402 WeakPolarHBondContact CG1-O 3.44Å; I236-G402 PolarHBondContact N-O 2.8Å; I236-Y404 HydrophobicContact CD1-CD2 3.96Å; I236-Y404 HydrophobicContact CD1-CE2 3.7Å; I236-Y404 HydrophobicContact CG1-CD2 3.9Å; I236-Y404 HydrophobicContact CG1-CE2 3.85Å | ||
| 237 | R | 88 | Confident | 90.1 | Very high | 145 Ų | 145 | 43.7 Ų | 43.7 | 55% | 0.547 | 25% | 0.248 | S | C | . | . | trans | -72.2 | -1.6 | 178.2 | -65.3 | 177 | -69.5 | -173 | -6.9 | 115 | D235 V403 | D235-R237 VanDerWaalsContact OD1-CB 3.29Å; D235-R237 WeakPolarHBondContact OD1-CB 3.44Å; D235-R237 WeakPolarHBondContact OD1-CG 3.32Å; D235-R237 IonicContact OD1-CZ 3.43Å; D235-R237 PolarHBondContact OD1-N 2.99Å; D235-R237 VanDerWaalsContact OD1-N 3.11Å; D235-R237 IonicContact OD1-NE 3.66Å; D235-R237 PolarHBondContact OD1-NE 3.45Å; D235-R237 IonicContact OD1-NH2 3.24Å; D235-R237 IonicContact OD2-CZ 2.96Å; D235-R237 IonicContact OD2-NE 3.64Å; D235-R237 PolarHBondContact OD2-NE 2.67Å; D235-R237 IonicContact OD2-NH2 3.54Å; D235-R237 PolarHBondContact OD2-NH2 2.79Å; R237-V403 HydrophobicContact CG-CG2 4.42Å; R237-V403 VanDerWaalsContact CZ-CG2 3.42Å | ||
| 238 | G | 75.9 | Confident | 90 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 37% | 0.371 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -61.3 | -175.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | I236 G240 K401 | I236-G238 PolarHBondContact O-N 2.91Å; G238-G240 VanDerWaalsContact C-N 3.28Å; G238-G240 PolarHBondContact O-N 3.47Å; G238-K401 PolarHBondContact O-NZ 2.8Å |
| 239 | N | 64.7 | Low | 89.8 | Confident | 158 Ų | 158 | 43.8 Ų | 43.8 | 85% | 0.845 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -66.8 | -21.7 | -168.3 | -68.9 | -16.6 | 0 | 0 | 0 | 114.6 | K401 | N239-K401 PolarHBondContact O-NZ 3.37Å; N239-K401 VanDerWaalsContact O-NZ 3.16Å |
| 240 | G | 74.1 | Confident | 89.5 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -89.7 | 145.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G238 P242 K401 | G238-G240 VanDerWaalsContact C-N 3.28Å; G238-G240 PolarHBondContact O-N 3.47Å; G240-P242 WeakPolarHBondContact O-CD 3.42Å; G240-K401 WeakPolarHBondContact O-CE 3.41Å; G240-K401 PolarHBondContact O-NZ 3.47Å |
| 241 | F | 85.8 | Confident | 89.4 | Confident | 109 Ų | 109 | 33 Ų | 33 | 48% | 0.478 | 18% | 0.18 | S | C | . | . | trans | -91.5 | 114.5 | 168 | -70.6 | -88.9 | 0 | 0 | 0 | 109.5 | N280 W366 K401 | F241-N280 PolarHBondContact O-ND2 3.43Å; F241-W366 HydrophobicContact CB-CZ2 4.1Å; F241-W366 PolarHBondContact O-NE1 3.45Å; F241-K401 HydrophobicContact CD1-CD 4.36Å; F241-K401 VanDerWaalsContact CD1-CE 3.43Å; F241-K401 HydrophobicContact CD1-CG 4.39Å; F241-K401 HydrophobicContact CE1-CD 4.2Å; F241-K401 VanDerWaalsContact CE1-CE 3.46Å | ||
| 242 | P | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 147.5 | 178.3 | 23.6 | -28.2 | 0 | 0 | 0 | 112.3 | I236 G240 T279 N280 F283 T398 I399 | I236-P242 HydrophobicContact CD1-CG 4.01Å; G240-P242 WeakPolarHBondContact O-CD 3.42Å; P242-T279 WeakPolarHBondContact CA-O 3.35Å; P242-T279 VanDerWaalsContact CB-OG1 3.29Å; P242-T279 WeakPolarHBondContact CB-OG1 3.14Å; P242-N280 HydrophobicContact CB-CB 4.28Å; P242-F283 HydrophobicContact CB-CE1 4.31Å; P242-F283 HydrophobicContact CB-CE2 4.27Å; P242-F283 HydrophobicContact CB-CZ 3.6Å; P242-F283 HydrophobicContact CG-CE1 4.4Å; P242-F283 HydrophobicContact CG-CZ 3.86Å; P242-T398 CarbonylContact O-C 3.42Å; P242-T398 VanDerWaalsContact O-CA 3.28Å; P242-T398 WeakPolarHBondContact O-CA 3.5Å; P242-I399 HydrophobicContact CB-CB 4.37Å; P242-I399 HydrophobicContact CG-CB 3.91Å; P242-I399 HydrophobicContact CG-CG2 4.06Å; P242-I399 PolarHBondContact O-N 3.23Å |
| 243 | S | 94.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 167.5 | 160.5 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | T279 H364 A365 L395 Q397 I399 | S243-T279 PolarHBondContact N-O 3.4Å; S243-T279 WeakPolarHBondContact O-CB 3.48Å; S243-T279 WeakPolarHBondContact O-CG2 3.42Å; S243-T279 PolarHBondContact O-OG1 2.87Å; S243-H364 WeakPolarHBondContact OG-CA 3.21Å; S243-H364 WeakPolarHBondContact OG-CB 3.34Å; S243-A365 PolarHBondContact OG-N 3.15Å; S243-L395 WeakPolarHBondContact CB-O 3.39Å; S243-L395 PolarHBondContact OG-O 2.9Å; S243-Q397 CarbonylContact C-O 3.56Å; S243-Q397 VanDerWaalsContact CA-O 3.3Å; S243-Q397 WeakPolarHBondContact CA-O 3.22Å; S243-I399 WeakPolarHBondContact O-CD1 3.43Å |
| 244 | A | 94 | Very high | 89.4 | Confident | 8 Ų | 8 | 25.2 Ų | 25.2 | 7% | 0.066 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 151.7 | 159 | 0 | 0 | 0 | 0 | 0 | 110.9 | L395 Q397 I399 | A244-L395 HydrophobicContact CB-CB 4.15Å; A244-L395 HydrophobicContact CB-CD1 4.02Å; A244-L395 HydrophobicContact CB-CG 4.5Å; A244-L395 VanDerWaalsContact O-CB 3.3Å; A244-L395 WeakPolarHBondContact O-CB 3.32Å; A244-L395 PolarHBondContact O-N 3.49Å; A244-Q397 PolarHBondContact N-O 3.38Å; A244-I399 HydrophobicContact CB-CD1 3.98Å; A244-I399 HydrophobicContact CB-CG1 4.03Å |
| 245 | A | 95.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V247 A263 A266 T279 G393 | A245-V247 HydrophobicContact CB-CG2 4.28Å; A245-A263 HydrophobicContact CB-CB 4.14Å; A245-A263 PolarHBondContact N-O 2.77Å; A245-A266 HydrophobicContact CB-CB 4.42Å; A245-T279 HydrophobicContact CB-CG2 3.71Å; A245-G393 CarbonylContact C-O 3.59Å; A245-G393 VanDerWaalsContact CA-O 3.27Å; A245-G393 WeakPolarHBondContact CA-O 3.16Å |
| 246 | L | 95.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 110.1 | 162.7 | 179.2 | 64.8 | 0 | 0 | 0 | 107.7 | H248 M378 L392 G393 L395 F417 E448 F452 M455 | L246-H248 HydrophobicContact CD1-CB 4.43Å; L246-H248 HydrophobicContact CG-CB 4.13Å; L246-M378 HydrophobicContact CD2-CE 3.92Å; L246-L392 CarbonylContact O-C 3.52Å; L246-L392 WeakPolarHBondContact O-CA 3.15Å; L246-G393 PolarHBondContact N-O 3.46Å; L246-G393 PolarHBondContact O-N 3.29Å; L246-L395 HydrophobicContact CB-CD1 4.24Å; L246-L395 HydrophobicContact CB-CD2 3.78Å; L246-L395 HydrophobicContact CB-CG 3.99Å; L246-F417 HydrophobicContact CD1-CD2 4.31Å; L246-F417 HydrophobicContact CD1-CG 4.36Å; L246-E448 HydrophobicContact CD1-CB 3.86Å; L246-E448 HydrophobicContact CD1-CG 4.14Å; L246-F452 HydrophobicContact CD2-CB 4.17Å; L246-F452 HydrophobicContact CD2-CD2 4.47Å; L246-M455 HydrophobicContact CD2-SD 4.39Å |
| 247 | V | 94.5 | Very high | 89.7 | Confident | 6 Ų | 6 | 26 Ų | 26 | 4% | 0.036 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 110.8 | 174.8 | -166.7 | 0 | 0 | 0 | 0 | 104.6 | A245 A252 A263 A266 L392 Y416 F417 | A245-V247 HydrophobicContact CB-CG2 4.28Å; V247-A252 HydrophobicContact CG1-CB 3.58Å; V247-A263 HydrophobicContact CG2-CB 4.03Å; V247-A266 HydrophobicContact CG1-CB 4.35Å; V247-A266 HydrophobicContact CG2-CB 3.43Å; V247-A266 VanDerWaalsContact CG2-CB 3.43Å; V247-L392 HydrophobicContact CB-CD2 4.25Å; V247-L392 HydrophobicContact CG1-CD2 3.79Å; V247-L392 HydrophobicContact CG2-CD2 4.21Å; V247-Y416 VanDerWaalsContact C-CE2 3.48Å; V247-Y416 HydrophobicContact CB-CD2 4.06Å; V247-Y416 HydrophobicContact CB-CE2 3.53Å; V247-Y416 HydrophobicContact CG1-CD2 4.05Å; V247-Y416 HydrophobicContact CG1-CE2 3.36Å; V247-Y416 WeakPolarHBondContact O-CE2 3.43Å; V247-F417 WeakPolarHBondContact O-CB 3.42Å |
| 248 | H | 92.9 | Very high | 89.8 | Confident | 11 Ų | 11 | 19.4 Ų | 19.4 | 5% | 0.051 | 12% | 0.115 | C | C | . | . | trans | -134.6 | -15.1 | -169.7 | 70.1 | 86.1 | 0 | 0 | 0 | 115.3 | L246 S388 G391 L392 Y416 F417 R418 F452 M455 | L246-H248 HydrophobicContact CD1-CB 4.43Å; L246-H248 HydrophobicContact CG-CB 4.13Å; H248-S388 PolarHBondContact CE1-O 3.3Å; H248-S388 VanDerWaalsContact CE1-O 3.3Å; H248-S388 PolarHBondContact NE2-O 3.36Å; H248-G391 VanDerWaalsContact CD2-C 3.41Å; H248-G391 PolarHBondContact CD2-O 2.87Å; H248-G391 VanDerWaalsContact CE1-CA 3.48Å; H248-G391 WeakPolarHBondContact CE1-CA 3.47Å; H248-G391 PolarHBondContact N-O 2.99Å; H248-G391 VanDerWaalsContact NE2-C 3.26Å; H248-L392 PolarHBondContact NE2-N 3.04Å; H248-Y416 VanDerWaalsContact C-OH 3.3Å; H248-Y416 WeakPolarHBondContact CA-OH 3.32Å; H248-F417 HydrophobicContact CB-CD1 3.71Å; H248-F417 HydrophobicContact CB-CE1 4Å; H248-R418 VanDerWaalsContact O-CD 3.27Å; H248-R418 WeakPolarHBondContact O-CD 3.27Å; H248-R418 WeakPolarHBondContact O-CG 3.28Å; H248-R418 PolarHBondContact O-NH1 3.45Å; H248-F452 HydrophobicContact CB-CD2 3.85Å; H248-F452 HydrophobicContact CB-CE2 3.98Å; H248-F452 AromaticContact CG-CD2 3.95Å; H248-F452 AromaticContact CG-CE2 3.93Å; H248-F452 AromaticContact ND1-CE2 3.61Å; H248-M455 VanDerWaalsContact CE1-CE 3.41Å; H248-M455 WeakPolarHBondContact CE1-CE 3.24Å | ||
| 249 | G | 91.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 5% | 0.052 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -74.9 | 151.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L251 A252 G391 Y416 | G249-L251 PolarHBondContact O-N 3.2Å; G249-A252 PolarHBondContact O-N 3.23Å; G249-A252 VanDerWaalsContact O-N 3.08Å; G249-G391 VanDerWaalsContact CA-CA 3.5Å; G249-G391 PolarHBondContact N-O 3.12Å; G249-Y416 PolarHBondContact N-OH 3Å; G249-Y416 PolarHBondContact O-OH 2.81Å |
| 250 | P | 89.9 | Confident | 91.2 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 6% | 0.058 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14.8 | 177.5 | 29.6 | -34.4 | 0 | 0 | 0 | 113 | V36 L37 T38 | V36-P250 HydrophobicContact CG1-CB 3.66Å; V36-P250 HydrophobicContact CG1-CG 3.8Å; L37-P250 VanDerWaalsContact O-CG 3.23Å; L37-P250 WeakPolarHBondContact O-CG 3.29Å; T38-P250 HydrophobicContact CG2-CG 3.82Å |
| 251 | L | 92.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 4.3 | 173.7 | -61.5 | -172 | 0 | 0 | 0 | 114.6 | V36 T38 I175 Y190 M218 F220 G249 T268 Y269 | V36-L251 HydrophobicContact CG1-CD2 4.1Å; T38-L251 HydrophobicContact CG2-CB 4.36Å; T38-L251 HydrophobicContact CG2-CD1 3.7Å; T38-L251 HydrophobicContact CG2-CG 3.69Å; I175-L251 HydrophobicContact CD1-CD2 4.3Å; Y190-L251 HydrophobicContact CD1-CD1 4.4Å; Y190-L251 HydrophobicContact CD2-CD1 3.77Å; Y190-L251 HydrophobicContact CE1-CD1 4.06Å; Y190-L251 HydrophobicContact CE2-CD1 3.4Å; Y190-L251 VanDerWaalsContact CE2-CD1 3.4Å; Y190-L251 HydrophobicContact CG-CD1 4.25Å; M218-L251 HydrophobicContact CB-CD2 4.38Å; M218-L251 HydrophobicContact CG-CD2 3.62Å; F220-L251 WeakPolarHBondContact CZ-O 3.13Å; G249-L251 PolarHBondContact O-N 3.2Å; L251-T268 VanDerWaalsContact O-CA 3.32Å; L251-T268 WeakPolarHBondContact O-CA 3.49Å; L251-T268 PolarHBondContact O-OG1 3.45Å; L251-Y269 PolarHBondContact O-N 2.99Å |
| 252 | A | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V247 G249 G267 G391 L392 Y416 | V247-A252 HydrophobicContact CG1-CB 3.58Å; G249-A252 PolarHBondContact O-N 3.23Å; G249-A252 VanDerWaalsContact O-N 3.08Å; A252-G267 CarbonylContact C-O 3.52Å; A252-G267 VanDerWaalsContact CA-O 3.29Å; A252-G267 WeakPolarHBondContact CA-O 3.39Å; A252-G391 WeakPolarHBondContact CB-O 3.35Å; A252-L392 HydrophobicContact CB-CD2 3.9Å; A252-L392 HydrophobicContact CB-CG 4.38Å; A252-Y416 PolarHBondContact O-OH 2.79Å |
| 253 | F | 93.8 | Very high | 92 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 1% | 0.009 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 148.6 | -178 | 59.6 | -85.3 | 0 | 0 | 0 | 112.4 | F220 D223 L227 I255 A266 G267 Y269 W299 I412 | F220-F253 HydrophobicContact CB-CB 4.13Å; F220-F253 HydrophobicContact CB-CD1 3.86Å; F220-F253 HydrophobicContact CB-CD2 4.19Å; F220-F253 HydrophobicContact CB-CE1 4.3Å; F220-F253 HydrophobicContact CB-CG 3.8Å; F220-F253 AromaticContact CD1-CD1 3.41Å; F220-F253 HydrophobicContact CD1-CD1 3.41Å; F220-F253 VanDerWaalsContact CD1-CD1 3.41Å; F220-F253 AromaticContact CD1-CE1 3.66Å; F220-F253 HydrophobicContact CD1-CE1 3.66Å; F220-F253 HydrophobicContact CD1-CG 4.21Å; F220-F253 HydrophobicContact CD2-CB 3.62Å; F220-F253 AromaticContact CD2-CD1 3.82Å; F220-F253 HydrophobicContact CD2-CD1 3.82Å; F220-F253 AromaticContact CD2-CG 3.96Å; F220-F253 HydrophobicContact CD2-CG 3.96Å; F220-F253 AromaticContact CE1-CD1 3.86Å; F220-F253 HydrophobicContact CE1-CD1 3.86Å; F220-F253 HydrophobicContact CE1-CE1 4.2Å; F220-F253 HydrophobicContact CE2-CB 4.22Å; F220-F253 HydrophobicContact CE2-CD1 4.21Å; F220-F253 HydrophobicContact CG-CB 3.91Å; F220-F253 AromaticContact CG-CD1 3.38Å; F220-F253 HydrophobicContact CG-CD1 3.38Å; F220-F253 HydrophobicContact CG-CE1 4.01Å; F220-F253 AromaticContact CG-CG 3.71Å; F220-F253 HydrophobicContact CG-CG 3.71Å; F220-F253 HydrophobicContact CZ-CD1 4.24Å; D223-F253 HydrophobicContact CB-CE2 4.37Å; D223-F253 HydrophobicContact CB-CZ 3.9Å; L227-F253 HydrophobicContact CD1-CE2 3.96Å; L227-F253 HydrophobicContact CD1-CZ 4.18Å; F253-I255 HydrophobicContact CD2-CG1 4.19Å; F253-I255 HydrophobicContact CE2-CD1 4.48Å; F253-I255 HydrophobicContact CE2-CG1 3.86Å; F253-A266 WeakPolarHBondContact O-CA 3.38Å; F253-G267 PolarHBondContact N-O 3.34Å; F253-G267 PolarHBondContact O-N 3.42Å; F253-Y269 HydrophobicContact CE1-CE2 4.3Å; F253-W299 HydrophobicContact CE1-CH2 4.33Å; F253-W299 HydrophobicContact CE1-CZ2 4.25Å; F253-W299 HydrophobicContact CZ-CH2 4.09Å; F253-W299 AromaticContact CZ-CZ2 3.9Å; F253-W299 HydrophobicContact CZ-CZ2 3.9Å; F253-I412 HydrophobicContact CB-CD1 3.94Å; F253-I412 HydrophobicContact CB-CG1 4.24Å; F253-I412 HydrophobicContact CD2-CD1 3.66Å; F253-I412 HydrophobicContact CG-CD1 4.07Å |
| 254 | P | 94 | Very high | 91.9 | Very high | 17 Ų | 17 | 22.6 Ų | 22.6 | 11% | 0.11 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 142.8 | 174 | 31 | -33.8 | 0 | 0 | 0 | 111.1 | T257 A263 | P254-T257 HydrophobicContact CB-CG2 3.81Å; P254-A263 HydrophobicContact CB-CB 4.19Å |
| 255 | I | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -40.7 | 176.2 | -61.5 | 167.8 | 0 | 0 | 0 | 111.1 | L224 L227 L228 F234 F253 L265 A266 I276 F292 P407 | L224-I255 HydrophobicContact CD1-CB 4.42Å; L224-I255 HydrophobicContact CD1-CG2 4.22Å; L227-I255 HydrophobicContact CD1-CD1 3.82Å; L227-I255 HydrophobicContact CD1-CG1 4.01Å; L228-I255 HydrophobicContact CD2-CG2 4.47Å; F234-I255 HydrophobicContact CZ-CG2 4.4Å; F253-I255 HydrophobicContact CD2-CG1 4.19Å; F253-I255 HydrophobicContact CE2-CD1 4.48Å; F253-I255 HydrophobicContact CE2-CG1 3.86Å; I255-L265 HydrophobicContact CB-CB 3.92Å; I255-L265 HydrophobicContact CG2-CB 4.28Å; I255-L265 PolarHBondContact N-O 3.35Å; I255-A266 VanDerWaalsContact CD1-C 3.45Å; I255-I276 HydrophobicContact CD1-CD1 4.39Å; I255-I276 HydrophobicContact CD1-CG1 4.08Å; I255-I276 HydrophobicContact CD1-CG2 4.31Å; I255-F292 HydrophobicContact CG2-CE2 3.59Å; I255-F292 HydrophobicContact CG2-CZ 3.81Å; I255-P407 VanDerWaalsContact O-CD 3.29Å; I255-P407 WeakPolarHBondContact O-CD 3.28Å; I255-P407 WeakPolarHBondContact O-CG 3.4Å |
| 256 | G | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 125.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A263 F264 L265 | G256-A263 WeakPolarHBondContact O-CA 3.47Å; G256-F264 PolarHBondContact O-N 2.87Å; G256-L265 PolarHBondContact N-O 3.2Å; G256-L265 VanDerWaalsContact N-O 3.15Å; G256-L265 PolarHBondContact O-N 2.89Å |
| 257 | T | 92.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 22.1 Ų | 22.1 | 17% | 0.172 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 153.7 | -174.2 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | P254 E262 A263 F264 Y404 | P254-T257 HydrophobicContact CB-CG2 3.81Å; T257-E262 CarbonylContact C-O 3.55Å; T257-E262 VanDerWaalsContact CA-O 3.24Å; T257-E262 WeakPolarHBondContact CA-O 3.16Å; T257-A263 HydrophobicContact CG2-CB 4.31Å; T257-F264 WeakPolarHBondContact O-CE1 3.47Å; T257-Y404 WeakPolarHBondContact O-CB 3.42Å |
| 258 | T | 90.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 4% | 0.043 | 12% | 0.117 | C | C | . | . | trans | -70.4 | 171.3 | 166.4 | 70.1 | 0 | 0 | 0 | 0 | 111.1 | K260 G261 E262 F264 I399 Y404 | T258-K260 PolarHBondContact O-N 2.95Å; T258-K260 PolarHBondContact OG1-N 3.31Å; T258-G261 PolarHBondContact O-N 3.18Å; T258-E262 HydrophobicContact CG2-CB 4.06Å; T258-E262 PolarHBondContact N-O 3.15Å; T258-E262 WeakPolarHBondContact OG1-CB 3.46Å; T258-E262 PolarHBondContact OG1-N 3.44Å; T258-E262 PolarHBondContact OG1-OE2 2.92Å; T258-F264 HydrophobicContact CG2-CD1 4.4Å; T258-I399 HydrophobicContact CG2-CD1 4.47Å; T258-I399 HydrophobicContact CG2-CG2 3.47Å; T258-I399 VanDerWaalsContact CG2-CG2 3.47Å; T258-Y404 HydrophobicContact CG2-CE1 4.06Å; T258-Y404 HydrophobicContact CG2-CE2 4.14Å | ||
| 259 | D | 85.8 | Confident | 92.3 | Very high | 141 Ų | 141 | 21.4 Ų | 21.4 | 75% | 0.754 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -12.9 | 171.4 | -52.6 | -38.7 | 0 | 0 | 0 | 113.2 | ||
| 260 | K | 82.6 | Confident | 92.5 | Very high | 155 Ų | 155 | 22.2 Ų | 22.2 | 67% | 0.674 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 8.6 | 174.9 | -60.6 | -175.5 | 177.7 | -175.3 | 0 | 113.1 | T258 E262 | T258-K260 PolarHBondContact O-N 2.95Å; T258-K260 PolarHBondContact OG1-N 3.31Å; K260-E262 VanDerWaalsContact C-N 3.3Å; K260-E262 HydrophobicContact CB-CG 4.39Å; K260-E262 PolarHBondContact O-N 2.88Å |
| 261 | G | 85.6 | Confident | 92.7 | Very high | 20 Ų | 20 | 21.9 Ų | 21.9 | 21% | 0.206 | 12% | 0.115 | C | C | . | . | trans | 74.6 | 12.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T258 A263 K444 | T258-G261 PolarHBondContact O-N 3.18Å; G261-A263 PolarHBondContact O-N 3.31Å; G261-K444 WeakPolarHBondContact O-CE 3.2Å | ||
| 262 | E | 89.9 | Confident | 92.7 | Very high | 57 Ų | 57 | 24.6 Ų | 24.6 | 27% | 0.266 | 13% | 0.125 | S | C | . | . | trans | -76.9 | 117.4 | 178 | -58.1 | 163.1 | 119.1 | 0 | 0 | 109.8 | T257 T258 K260 I399 | T257-E262 CarbonylContact C-O 3.55Å; T257-E262 VanDerWaalsContact CA-O 3.24Å; T257-E262 WeakPolarHBondContact CA-O 3.16Å; T258-E262 HydrophobicContact CG2-CB 4.06Å; T258-E262 PolarHBondContact N-O 3.15Å; T258-E262 WeakPolarHBondContact OG1-CB 3.46Å; T258-E262 PolarHBondContact OG1-N 3.44Å; T258-E262 PolarHBondContact OG1-OE2 2.92Å; K260-E262 VanDerWaalsContact C-N 3.3Å; K260-E262 HydrophobicContact CB-CG 4.39Å; K260-E262 PolarHBondContact O-N 2.88Å; E262-I399 HydrophobicContact CB-CD1 3.9Å; E262-I399 HydrophobicContact CB-CG1 4.1Å | ||
| 263 | A | 93.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 5% | 0.05 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 128.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A245 V247 P254 G256 T257 G261 I399 | A245-A263 HydrophobicContact CB-CB 4.14Å; A245-A263 PolarHBondContact N-O 2.77Å; V247-A263 HydrophobicContact CG2-CB 4.03Å; P254-A263 HydrophobicContact CB-CB 4.19Å; G256-A263 WeakPolarHBondContact O-CA 3.47Å; T257-A263 HydrophobicContact CG2-CB 4.31Å; G261-A263 PolarHBondContact O-N 3.31Å; A263-I399 VanDerWaalsContact O-CD1 3.28Å; A263-I399 WeakPolarHBondContact O-CD1 3.12Å |
| 264 | F | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -10.7 | 170.3 | 58.1 | -100.8 | 0 | 0 | 0 | 113.1 | F234 I236 G256 T257 T258 T279 F283 I399 Y404 | F234-F264 HydrophobicContact CB-CE2 3.77Å; F234-F264 HydrophobicContact CB-CZ 3.62Å; F234-F264 HydrophobicContact CD1-CE2 4.27Å; F234-F264 HydrophobicContact CD2-CE2 4.3Å; F234-F264 HydrophobicContact CD2-CZ 4.04Å; F234-F264 AromaticContact CG-CE2 3.88Å; F234-F264 HydrophobicContact CG-CE2 3.88Å; F234-F264 AromaticContact CG-CZ 3.92Å; F234-F264 HydrophobicContact CG-CZ 3.92Å; I236-F264 HydrophobicContact CD1-CD1 4.16Å; I236-F264 HydrophobicContact CD1-CE1 4.44Å; I236-F264 HydrophobicContact CD1-CG 4.25Å; I236-F264 HydrophobicContact CG2-CD2 4.16Å; I236-F264 HydrophobicContact CG2-CE2 4.04Å; G256-F264 PolarHBondContact O-N 2.87Å; T257-F264 WeakPolarHBondContact O-CE1 3.47Å; T258-F264 HydrophobicContact CG2-CD1 4.4Å; F264-T279 WeakPolarHBondContact CA-OG1 3.33Å; F264-T279 WeakPolarHBondContact O-CG2 3.38Å; F264-T279 PolarHBondContact O-N 3.41Å; F264-T279 VanDerWaalsContact O-N 3.15Å; F264-T279 PolarHBondContact O-OG1 3.09Å; F264-F283 HydrophobicContact CB-CE2 4.3Å; F264-F283 HydrophobicContact CD2-CE2 4.06Å; F264-I399 HydrophobicContact CB-CD1 3.75Å; F264-Y404 AromaticContact CE1-CD2 3.83Å; F264-Y404 HydrophobicContact CE1-CD2 3.83Å; F264-Y404 HydrophobicContact CE1-CG 4.15Å; F264-Y404 HydrophobicContact CZ-CD2 4.38Å |
| 265 | L | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 135.7 | 166.6 | -71.7 | 164.4 | 0 | 0 | 0 | 108 | F234 I255 G256 V277 A278 F292 W293 | F234-L265 HydrophobicContact CD1-CD1 3.84Å; F234-L265 HydrophobicContact CE1-CD1 3.57Å; F234-L265 HydrophobicContact CZ-CD1 4.19Å; I255-L265 HydrophobicContact CB-CB 3.92Å; I255-L265 HydrophobicContact CG2-CB 4.28Å; I255-L265 PolarHBondContact N-O 3.35Å; G256-L265 PolarHBondContact N-O 3.2Å; G256-L265 VanDerWaalsContact N-O 3.15Å; G256-L265 PolarHBondContact O-N 2.89Å; L265-V277 WeakPolarHBondContact CA-O 3.29Å; L265-A278 HydrophobicContact CD2-CB 3.87Å; L265-F292 HydrophobicContact CD1-CD1 4.31Å; L265-F292 HydrophobicContact CD1-CE1 3.71Å; L265-F292 HydrophobicContact CD1-CZ 3.87Å; L265-F292 HydrophobicContact CD2-CE1 4.06Å; L265-F292 HydrophobicContact CD2-CZ 4.42Å; L265-W293 HydrophobicContact CD2-CH2 3.89Å |
| 266 | A | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 152.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A245 V247 F253 I255 I276 V277 L392 | A245-A266 HydrophobicContact CB-CB 4.42Å; V247-A266 HydrophobicContact CG1-CB 4.35Å; V247-A266 HydrophobicContact CG2-CB 3.43Å; V247-A266 VanDerWaalsContact CG2-CB 3.43Å; F253-A266 WeakPolarHBondContact O-CA 3.38Å; I255-A266 VanDerWaalsContact CD1-C 3.45Å; A266-I276 WeakPolarHBondContact O-CA 3.44Å; A266-V277 HydrophobicContact CB-CG1 3.8Å; A266-V277 PolarHBondContact N-O 2.97Å; A266-V277 PolarHBondContact O-N 3.34Å; A266-L392 HydrophobicContact CB-CD2 3.76Å |
| 267 | G | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 157.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A252 F253 V275 | A252-G267 CarbonylContact C-O 3.52Å; A252-G267 VanDerWaalsContact CA-O 3.29Å; A252-G267 WeakPolarHBondContact CA-O 3.39Å; F253-G267 PolarHBondContact N-O 3.34Å; F253-G267 PolarHBondContact O-N 3.42Å; G267-V275 CarbonylContact C-O 3.58Å; G267-V275 VanDerWaalsContact CA-O 3.22Å; G267-V275 WeakPolarHBondContact CA-O 2.89Å |
| 268 | T | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 158.5 | 170.1 | -172 | 0 | 0 | 0 | 0 | 111.2 | L251 V275 M390 L392 | L251-T268 VanDerWaalsContact O-CA 3.32Å; L251-T268 WeakPolarHBondContact O-CA 3.49Å; L251-T268 PolarHBondContact O-OG1 3.45Å; T268-V275 HydrophobicContact CG2-CB 3.73Å; T268-V275 HydrophobicContact CG2-CG1 4.48Å; T268-V275 HydrophobicContact CG2-CG2 4.09Å; T268-V275 PolarHBondContact N-O 3.41Å; T268-V275 PolarHBondContact O-N 3.36Å; T268-M390 HydrophobicContact CG2-CB 4.07Å; T268-M390 VanDerWaalsContact CG2-O 3.3Å; T268-M390 WeakPolarHBondContact CG2-O 3.46Å; T268-M390 PolarHBondContact OG1-O 3.31Å; T268-L392 HydrophobicContact CG2-CD1 3.46Å; T268-L392 VanDerWaalsContact CG2-CD1 3.46Å; T268-L392 HydrophobicContact CG2-CG 3.85Å |
| 269 | Y | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 141.7 | 164 | -68.2 | -96.6 | 0 | 0 | 0 | 110.3 | N173 I175 L176 F220 D223 L251 F253 R274 W299 | N173-Y269 PolarHBondContact ND2-OH 2.92Å; I175-Y269 HydrophobicContact CB-CD1 4.35Å; I175-Y269 HydrophobicContact CB-CE1 4.38Å; I175-Y269 HydrophobicContact CD1-CD2 3.64Å; I175-Y269 HydrophobicContact CD1-CE2 3.75Å; I175-Y269 HydrophobicContact CD1-CG 4.05Å; I175-Y269 HydrophobicContact CG2-CD1 3.71Å; I175-Y269 HydrophobicContact CG2-CE1 4.21Å; I175-Y269 HydrophobicContact CG2-CG 3.88Å; L176-Y269 HydrophobicContact CD1-CE1 3.84Å; L176-Y269 HydrophobicContact CD2-CD1 4.07Å; L176-Y269 HydrophobicContact CD2-CE1 4.13Å; L176-Y269 HydrophobicContact CG-CD1 4.22Å; L176-Y269 HydrophobicContact CG-CE1 3.78Å; F220-Y269 HydrophobicContact CD1-CD2 4.4Å; F220-Y269 HydrophobicContact CD1-CE2 4.04Å; F220-Y269 AromaticContact CE1-CD2 3.87Å; F220-Y269 HydrophobicContact CE1-CD2 3.87Å; F220-Y269 AromaticContact CE1-CE2 3.94Å; F220-Y269 HydrophobicContact CE1-CE2 3.94Å; D223-Y269 PolarHBondContact OD1-OH 2.99Å; D223-Y269 WeakPolarHBondContact OD2-CE2 3.38Å; D223-Y269 PolarHBondContact OD2-OH 3.31Å; L251-Y269 PolarHBondContact O-N 2.99Å; F253-Y269 HydrophobicContact CE1-CE2 4.3Å; Y269-R274 HydrophobicContact CD1-CG 3.85Å; Y269-R274 HydrophobicContact CE1-CG 3.8Å; Y269-R274 PolarHBondContact OH-NE 2.94Å; Y269-R274 PolarHBondContact OH-NH2 3.12Å; Y269-W299 HydrophobicContact CE1-CZ2 4.48Å; Y269-W299 AromaticContact CE2-CZ2 3.98Å; Y269-W299 HydrophobicContact CE2-CZ2 3.98Å; Y269-W299 AromaticContact CZ-CZ2 3.88Å |
| 270 | Y | 94.8 | Very high | 94.1 | Very high | 23 Ų | 23 | 16.5 Ų | 16.5 | 9% | 0.09 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 117.2 | 174.9 | -171.9 | -114.6 | 0 | 0 | 0 | 110.2 | R272 G273 Q350 V353 V354 K389 M390 | Y270-R272 PolarHBondContact O-N 3Å; Y270-G273 PolarHBondContact N-O 3.01Å; Y270-G273 PolarHBondContact O-N 2.98Å; Y270-Q350 HydrophobicContact CE1-CB 4.21Å; Y270-Q350 HydrophobicContact CE1-CG 4.49Å; Y270-V353 HydrophobicContact CD1-CB 4.3Å; Y270-V353 HydrophobicContact CD1-CG1 4.13Å; Y270-V354 HydrophobicContact CD1-CG2 3.49Å; Y270-V354 VanDerWaalsContact CD1-CG2 3.49Å; Y270-V354 HydrophobicContact CE1-CG2 3.15Å; Y270-V354 HydrophobicContact CG-CG2 4.42Å; Y270-K389 WeakPolarHBondContact CE2-O 3.45Å; Y270-M390 HydrophobicContact CD1-CE 4Å; Y270-M390 HydrophobicContact CD1-CG 3.75Å; Y270-M390 HydrophobicContact CD1-SD 4.38Å; Y270-M390 HydrophobicContact CD2-CB 4.22Å; Y270-M390 HydrophobicContact CD2-CG 4.06Å; Y270-M390 HydrophobicContact CE1-CE 4.23Å; Y270-M390 HydrophobicContact CE1-CG 4.08Å; Y270-M390 HydrophobicContact CE2-CG 4.41Å; Y270-M390 HydrophobicContact CG-CB 4.16Å; Y270-M390 HydrophobicContact CG-CG 3.74Å |
| 271 | G | 94.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -123.2 | -165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G185 Y190 | G185-G271 WeakPolarHBondContact O-CA 3.44Å; Y190-G271 VanDerWaalsContact OH-CA 3.24Å; Y190-G271 WeakPolarHBondContact OH-CA 3.33Å; Y190-G271 PolarHBondContact OH-N 3.31Å; Y190-G271 PolarHBondContact OH-O 2.85Å |
| 272 | R | 93.1 | Very high | 94.2 | Very high | 57 Ų | 57 | 11.6 Ų | 11.6 | 22% | 0.215 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -5.2 | 174.2 | -64.8 | 171.7 | 58.8 | -164 | -0.5 | 112.9 | E144 V186 Y270 Q302 V354 | E144-R272 IonicContact OE1-CZ 3.76Å; E144-R272 IonicContact OE1-NH1 3.43Å; E144-R272 PolarHBondContact OE1-NH1 3.33Å; E144-R272 IonicContact OE1-NH2 3.61Å; E144-R272 PolarHBondContact OE1-NH2 3.34Å; E144-R272 IonicContact OE2-CZ 3Å; E144-R272 IonicContact OE2-NH1 2.8Å; E144-R272 PolarHBondContact OE2-NH1 3.46Å; V186-R272 HydrophobicContact CG1-CG 3.83Å; Y270-R272 PolarHBondContact O-N 3Å; R272-Q302 PolarHBondContact O-NE2 3.28Å; R272-V354 PolarHBondContact N-O 2.93Å |
| 273 | G | 95.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -178.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y270 V353 G357 | Y270-G273 PolarHBondContact N-O 3.01Å; Y270-G273 PolarHBondContact O-N 2.98Å; G273-V353 WeakPolarHBondContact CA-O 3.17Å; G273-V353 PolarHBondContact N-O 3.18Å; G273-G357 VanDerWaalsContact CA-O 3.28Å; G273-G357 WeakPolarHBondContact CA-O 3.49Å |
| 274 | R | 97.6 | Very high | 93 | Very high | 23 Ų | 23 | 9.3 Ų | 9.3 | 9% | 0.087 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 146.5 | -178.5 | -79 | 174.8 | 170.7 | 168.8 | -0.4 | 109.5 | N173 D223 Y269 W299 L300 G357 G358 L359 | N173-R274 PolarHBondContact ND2-NH2 2.88Å; D223-R274 IonicContact OD1-NH2 2.95Å; Y269-R274 HydrophobicContact CD1-CG 3.85Å; Y269-R274 HydrophobicContact CE1-CG 3.8Å; Y269-R274 PolarHBondContact OH-NE 2.94Å; Y269-R274 PolarHBondContact OH-NH2 3.12Å; R274-W299 HydrophobicContact CB-CE3 3.99Å; R274-W299 HydrophobicContact CB-CH2 3.77Å; R274-W299 HydrophobicContact CB-CZ2 4.42Å; R274-W299 HydrophobicContact CB-CZ3 3.54Å; R274-W299 WeakPolarHBondContact CD-O 3.46Å; R274-W299 HydrophobicContact CG-CE3 4.31Å; R274-W299 HydrophobicContact CG-CH2 3.67Å; R274-W299 HydrophobicContact CG-CZ2 3.87Å; R274-W299 HydrophobicContact CG-CZ3 3.92Å; R274-W299 PolarHBondContact NH1-O 2.86Å; R274-L300 VanDerWaalsContact C-CD2 3.5Å; R274-L300 HydrophobicContact CB-CD2 3.91Å; R274-L300 WeakPolarHBondContact O-CD2 3.38Å; R274-G357 PolarHBondContact N-O 3.32Å; R274-G358 WeakPolarHBondContact O-CA 3.2Å; R274-L359 PolarHBondContact O-N 3.33Å |
| 275 | V | 98.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 138.1 | -177.2 | -174 | 0 | 0 | 0 | 0 | 109.5 | G267 T268 V353 L359 L387 M390 L392 | G267-V275 CarbonylContact C-O 3.58Å; G267-V275 VanDerWaalsContact CA-O 3.22Å; G267-V275 WeakPolarHBondContact CA-O 2.89Å; T268-V275 HydrophobicContact CG2-CB 3.73Å; T268-V275 HydrophobicContact CG2-CG1 4.48Å; T268-V275 HydrophobicContact CG2-CG2 4.09Å; T268-V275 PolarHBondContact N-O 3.41Å; T268-V275 PolarHBondContact O-N 3.36Å; V275-V353 HydrophobicContact CG2-CG1 3.6Å; V275-V353 HydrophobicContact CG2-CG2 4.26Å; V275-L359 CarbonylContact C-O 3.56Å; V275-L359 VanDerWaalsContact CA-O 3.29Å; V275-L359 WeakPolarHBondContact CA-O 3.44Å; V275-L359 HydrophobicContact CB-CB 4.46Å; V275-L359 HydrophobicContact CG1-CB 4.13Å; V275-L359 HydrophobicContact CG1-CD2 3.9Å; V275-L359 HydrophobicContact CG1-CG 4.13Å; V275-L359 HydrophobicContact CG2-CB 4.2Å; V275-L359 HydrophobicContact CG2-CD2 4.48Å; V275-L387 HydrophobicContact CG1-CD2 4.21Å; V275-M390 HydrophobicContact CG1-SD 4.33Å; V275-M390 HydrophobicContact CG2-SD 3.62Å; V275-L392 HydrophobicContact CG1-CD1 4.32Å |
| 276 | I | 98.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.1 | 166.3 | -68.1 | 174 | 0 | 0 | 0 | 108.2 | L227 I255 A266 A296 W299 L300 L359 L360 I361 | L227-I276 HydrophobicContact CD2-CD1 3.91Å; I255-I276 HydrophobicContact CD1-CD1 4.39Å; I255-I276 HydrophobicContact CD1-CG1 4.08Å; I255-I276 HydrophobicContact CD1-CG2 4.31Å; A266-I276 WeakPolarHBondContact O-CA 3.44Å; I276-A296 HydrophobicContact CD1-CB 3.54Å; I276-W299 HydrophobicContact CD1-CE3 3.77Å; I276-W299 HydrophobicContact CD1-CZ3 4.15Å; I276-W299 HydrophobicContact CG1-CE3 3.96Å; I276-W299 HydrophobicContact CG1-CZ3 3.8Å; I276-L300 HydrophobicContact CB-CD1 4.46Å; I276-L300 HydrophobicContact CD1-CD1 4.21Å; I276-L300 HydrophobicContact CD1-CD2 4.41Å; I276-L300 HydrophobicContact CD1-CG 4.12Å; I276-L300 HydrophobicContact CG1-CD1 4.47Å; I276-L300 HydrophobicContact CG1-CD2 4.15Å; I276-L300 HydrophobicContact CG1-CG 4.38Å; I276-L359 PolarHBondContact N-O 3.04Å; I276-L360 HydrophobicContact CB-CD1 3.92Å; I276-L360 HydrophobicContact CG2-CD1 3.69Å; I276-L360 WeakPolarHBondContact O-CA 3.34Å; I276-I361 PolarHBondContact O-N 3.43Å |
| 277 | V | 97.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.8 | 169.4 | 64.6 | 0 | 0 | 0 | 0 | 110.1 | L265 A266 I361 L387 L392 L394 | L265-V277 WeakPolarHBondContact CA-O 3.29Å; A266-V277 HydrophobicContact CB-CG1 3.8Å; A266-V277 PolarHBondContact N-O 2.97Å; A266-V277 PolarHBondContact O-N 3.34Å; V277-I361 WeakPolarHBondContact CA-O 3.33Å; V277-I361 HydrophobicContact CB-CG2 4.16Å; V277-I361 HydrophobicContact CG2-CG2 4.19Å; V277-L387 HydrophobicContact CB-CD1 4.37Å; V277-L387 HydrophobicContact CB-CD2 4.26Å; V277-L387 HydrophobicContact CG2-CD1 3.75Å; V277-L387 HydrophobicContact CG2-CD2 4.5Å; V277-L392 HydrophobicContact CB-CD1 4.32Å; V277-L392 HydrophobicContact CG1-CD1 3.89Å; V277-L392 HydrophobicContact CG1-CD2 4.4Å; V277-L394 HydrophobicContact CG2-CD1 4.44Å; V277-L394 HydrophobicContact CG2-CD2 3.77Å; V277-L394 HydrophobicContact CG2-CG 4.13Å |
| 278 | A | 95.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L265 N280 F283 W293 I361 G362 G363 | L265-A278 HydrophobicContact CD2-CB 3.87Å; A278-N280 PolarHBondContact O-N 2.95Å; A278-F283 HydrophobicContact CB-CD2 4.43Å; A278-W293 HydrophobicContact CB-CH2 3.81Å; A278-I361 PolarHBondContact N-O 3.4Å; A278-G362 WeakPolarHBondContact O-CA 3.46Å; A278-G363 PolarHBondContact O-N 3.44Å |
| 279 | T | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -76.1 | 10.8 | -173.6 | 67.5 | 0 | 0 | 0 | 0 | 114.5 | P242 S243 A245 F264 G363 L394 | P242-T279 WeakPolarHBondContact CA-O 3.35Å; P242-T279 VanDerWaalsContact CB-OG1 3.29Å; P242-T279 WeakPolarHBondContact CB-OG1 3.14Å; S243-T279 PolarHBondContact N-O 3.4Å; S243-T279 WeakPolarHBondContact O-CB 3.48Å; S243-T279 WeakPolarHBondContact O-CG2 3.42Å; S243-T279 PolarHBondContact O-OG1 2.87Å; A245-T279 HydrophobicContact CB-CG2 3.71Å; F264-T279 WeakPolarHBondContact CA-OG1 3.33Å; F264-T279 WeakPolarHBondContact O-CG2 3.38Å; F264-T279 PolarHBondContact O-N 3.41Å; F264-T279 VanDerWaalsContact O-N 3.15Å; F264-T279 PolarHBondContact O-OG1 3.09Å; T279-G363 CarbonylContact C-O 3.55Å; T279-G363 VanDerWaalsContact CA-O 3.26Å; T279-G363 WeakPolarHBondContact CA-O 3.36Å; T279-L394 HydrophobicContact CG2-CD2 3.7Å |
| 280 | N | 90.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | trans | -152.3 | 133.9 | 164.4 | -164.4 | -82.3 | 0 | 0 | 0 | 109.8 | F241 P242 A278 L282 F283 G363 | F241-N280 PolarHBondContact O-ND2 3.43Å; P242-N280 HydrophobicContact CB-CB 4.28Å; A278-N280 PolarHBondContact O-N 2.95Å; N280-L282 PolarHBondContact O-N 2.83Å; N280-L282 WeakPolarHBondContact OD1-CA 3.26Å; N280-L282 WeakPolarHBondContact OD1-CB 3.29Å; N280-L282 WeakPolarHBondContact OD1-CG 3.33Å; N280-L282 PolarHBondContact OD1-N 3.31Å; N280-F283 HydrophobicContact CB-CD1 3.8Å; N280-F283 HydrophobicContact CB-CD2 4.38Å; N280-F283 HydrophobicContact CB-CE1 3.8Å; N280-F283 HydrophobicContact CB-CE2 4.37Å; N280-F283 HydrophobicContact CB-CG 4.12Å; N280-F283 HydrophobicContact CB-CZ 4.12Å; N280-F283 WeakPolarHBondContact O-CB 3.34Å; N280-F283 PolarHBondContact O-N 3.23Å; N280-G363 PolarHBondContact N-O 3.37Å | ||
| 281 | D | 84.2 | Confident | 89.3 | Confident | 12 Ų | 12 | 34.3 Ų | 34.3 | 6% | 0.064 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -70.6 | -17.3 | 178.8 | 53.3 | -52.8 | 0 | 0 | 0 | 113.6 | F283 Q284 K339 Y341 H364 | D281-F283 VanDerWaalsContact C-N 3.33Å; D281-Q284 PolarHBondContact O-OE1 3.16Å; D281-K339 HydrophobicContact CB-CG 4.27Å; D281-K339 IonicContact OD2-NZ 3.8Å; D281-Y341 PolarHBondContact OD2-OH 2.72Å; D281-H364 IonicContact OD1-CE1 2.79Å; D281-H364 IonicContact OD1-ND1 3.66Å; D281-H364 PolarHBondContact OD1-ND1 2.67Å |
| 282 | L | 85.1 | Confident | 89.3 | Confident | 61 Ų | 61 | 34.3 Ų | 34.3 | 32% | 0.319 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -80.4 | -11.3 | 175 | -53.7 | 179.6 | 0 | 0 | 0 | 113.1 | N280 Q284 Q285 | N280-L282 PolarHBondContact O-N 2.83Å; N280-L282 WeakPolarHBondContact OD1-CA 3.26Å; N280-L282 WeakPolarHBondContact OD1-CB 3.29Å; N280-L282 WeakPolarHBondContact OD1-CG 3.33Å; N280-L282 PolarHBondContact OD1-N 3.31Å; L282-Q284 PolarHBondContact O-N 3.44Å; L282-Q285 VanDerWaalsContact CD2-NE2 3.28Å; L282-Q285 WeakPolarHBondContact O-CB 3.41Å; L282-Q285 PolarHBondContact O-N 2.86Å |
| 283 | F | 83.4 | Confident | 89.2 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -62.3 | -32.7 | 176.9 | -71.3 | -6.5 | 0 | 0 | 0 | 112.3 | I236 P242 F264 A278 N280 D281 Q285 N286 L289 W293 | I236-F283 HydrophobicContact CB-CE1 3.86Å; I236-F283 HydrophobicContact CB-CZ 3.78Å; I236-F283 HydrophobicContact CD1-CZ 4.27Å; I236-F283 HydrophobicContact CG2-CE1 3.88Å; I236-F283 HydrophobicContact CG2-CE2 4.02Å; I236-F283 HydrophobicContact CG2-CZ 3.56Å; P242-F283 HydrophobicContact CB-CE1 4.31Å; P242-F283 HydrophobicContact CB-CE2 4.27Å; P242-F283 HydrophobicContact CB-CZ 3.6Å; P242-F283 HydrophobicContact CG-CE1 4.4Å; P242-F283 HydrophobicContact CG-CZ 3.86Å; F264-F283 HydrophobicContact CB-CE2 4.3Å; F264-F283 HydrophobicContact CD2-CE2 4.06Å; A278-F283 HydrophobicContact CB-CD2 4.43Å; N280-F283 HydrophobicContact CB-CD1 3.8Å; N280-F283 HydrophobicContact CB-CD2 4.38Å; N280-F283 HydrophobicContact CB-CE1 3.8Å; N280-F283 HydrophobicContact CB-CE2 4.37Å; N280-F283 HydrophobicContact CB-CG 4.12Å; N280-F283 HydrophobicContact CB-CZ 4.12Å; N280-F283 WeakPolarHBondContact O-CB 3.34Å; N280-F283 PolarHBondContact O-N 3.23Å; D281-F283 VanDerWaalsContact C-N 3.33Å; F283-Q285 PolarHBondContact O-N 3.43Å; F283-N286 WeakPolarHBondContact O-CB 3.16Å; F283-N286 PolarHBondContact O-N 2.94Å; F283-N286 VanDerWaalsContact O-N 3.14Å; F283-L289 HydrophobicContact CB-CD1 4.13Å; F283-W293 HydrophobicContact CB-CH2 4.49Å; F283-W293 HydrophobicContact CB-CZ2 3.75Å; F283-W293 PolarHBondContact O-NE1 2.77Å |
| 284 | Q | 76.2 | Confident | 89.1 | Confident | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -62.2 | -25.7 | 174.1 | -64.2 | 157.3 | -2.8 | 0 | 0 | 111.5 | D281 L282 N286 W293 L317 | D281-Q284 PolarHBondContact O-OE1 3.16Å; L282-Q284 PolarHBondContact O-N 3.44Å; Q284-N286 VanDerWaalsContact C-N 3.34Å; Q284-W293 HydrophobicContact CG-CH2 4.27Å; Q284-W293 HydrophobicContact CG-CZ2 4.08Å; Q284-L317 HydrophobicContact CB-CD2 4.45Å; Q284-L317 WeakPolarHBondContact O-CD2 3.49Å |
| 285 | Q | 76.4 | Confident | 89 | Confident | 89 Ų | 89 | 36.2 Ų | 36.2 | 42% | 0.416 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -86.2 | -9.5 | -179.4 | -52.6 | -178.2 | 20.1 | 0 | 0 | 112.9 | L282 F283 E287 K315 | L282-Q285 VanDerWaalsContact CD2-NE2 3.28Å; L282-Q285 WeakPolarHBondContact O-CB 3.41Å; L282-Q285 PolarHBondContact O-N 2.86Å; F283-Q285 PolarHBondContact O-N 3.43Å; Q285-E287 PolarHBondContact O-N 2.94Å; Q285-K315 HydrophobicContact CB-CD 4.37Å; Q285-K315 HydrophobicContact CG-CB 4.14Å; Q285-K315 HydrophobicContact CG-CD 4.1Å |
| 286 | N | 80.4 | Confident | 88.9 | Confident | 35 Ų | 35 | 36.2 Ų | 36.2 | 19% | 0.187 | 19% | 0.186 | C | C | . | . | trans | -81.8 | 110 | -177.2 | -172.6 | -6.3 | 0 | 0 | 0 | 110.6 | D235 F283 Q284 K288 L289 | D235-N286 PolarHBondContact O-ND2 3.26Å; F283-N286 WeakPolarHBondContact O-CB 3.16Å; F283-N286 PolarHBondContact O-N 2.94Å; F283-N286 VanDerWaalsContact O-N 3.14Å; Q284-N286 VanDerWaalsContact C-N 3.34Å; N286-K288 PolarHBondContact O-N 3.25Å; N286-K288 VanDerWaalsContact O-N 3.16Å; N286-K288 WeakPolarHBondContact OD1-CB 3.44Å; N286-K288 PolarHBondContact OD1-N 3.4Å; N286-K288 VanDerWaalsContact OD1-N 3.1Å; N286-L289 HydrophobicContact CB-CD1 4.25Å; N286-L289 HydrophobicContact CB-CG 4.26Å; N286-L289 PolarHBondContact O-N 2.93Å | ||
| 287 | E | 81.8 | Confident | 88.7 | Confident | 163 Ų | 163 | 36.2 Ų | 36.2 | 76% | 0.762 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -59.8 | -26.7 | -179.7 | -65.5 | -178.7 | 176.2 | 0 | 0 | 113 | Q285 L289 A290 | Q285-E287 PolarHBondContact O-N 2.94Å; E287-L289 PolarHBondContact O-N 2.92Å; E287-A290 WeakPolarHBondContact O-CB 3.46Å; E287-A290 PolarHBondContact O-N 3.3Å; E287-A290 VanDerWaalsContact O-N 3.08Å |
| 288 | K | 85.1 | Confident | 88.6 | Confident | 136 Ų | 136 | 37.9 Ų | 37.9 | 59% | 0.591 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -66.2 | -19.7 | 175.4 | -59.7 | -173.8 | -177.9 | -173 | 0 | 113.2 | D235 N286 | D235-K288 HydrophobicContact CB-CB 4.46Å; D235-K288 HydrophobicContact CB-CD 3.88Å; D235-K288 WeakPolarHBondContact OD2-CD 3.38Å; D235-K288 WeakPolarHBondContact OD2-CE 3.21Å; D235-K288 IonicContact OD2-NZ 3.67Å; D235-K288 PolarHBondContact OD2-NZ 3.33Å; N286-K288 PolarHBondContact O-N 3.25Å; N286-K288 VanDerWaalsContact O-N 3.16Å; N286-K288 WeakPolarHBondContact OD1-CB 3.44Å; N286-K288 PolarHBondContact OD1-N 3.4Å; N286-K288 VanDerWaalsContact OD1-N 3.1Å |
| 289 | L | 87.7 | Confident | 88.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -98.2 | 4.9 | 176.7 | -59.9 | -178.4 | 0 | 0 | 0 | 112.5 | F234 F283 N286 E287 S291 F292 W293 | F234-L289 HydrophobicContact CD1-CD2 3.86Å; F283-L289 HydrophobicContact CB-CD1 4.13Å; N286-L289 HydrophobicContact CB-CD1 4.25Å; N286-L289 HydrophobicContact CB-CG 4.26Å; N286-L289 PolarHBondContact O-N 2.93Å; E287-L289 PolarHBondContact O-N 2.92Å; L289-S291 VanDerWaalsContact C-N 3.35Å; L289-S291 PolarHBondContact O-N 3.14Å; L289-F292 WeakPolarHBondContact O-CB 3.43Å; L289-F292 PolarHBondContact O-N 2.9Å; L289-F292 VanDerWaalsContact O-N 3.09Å; L289-W293 HydrophobicContact CD1-CZ2 4.5Å; L289-W293 PolarHBondContact O-N 3.24Å |
| 290 | A | 88.5 | Confident | 88.8 | Confident | 49 Ų | 49 | 38 Ų | 38 | 41% | 0.405 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.6 | -43 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E287 F292 W293 K294 | E287-A290 WeakPolarHBondContact O-CB 3.46Å; E287-A290 PolarHBondContact O-N 3.3Å; E287-A290 VanDerWaalsContact O-N 3.08Å; A290-F292 VanDerWaalsContact C-N 3.32Å; A290-F292 PolarHBondContact O-N 3.19Å; A290-W293 PolarHBondContact O-N 3.22Å; A290-K294 PolarHBondContact O-N 3.3Å |
| 291 | S | 90.6 | Very high | 89 | Confident | 75 Ų | 75 | 38 Ų | 38 | 52% | 0.524 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 176.6 | -57.9 | 0 | 0 | 0 | 0 | 112 | L289 K294 N295 | L289-S291 VanDerWaalsContact C-N 3.35Å; L289-S291 PolarHBondContact O-N 3.14Å; S291-K294 PolarHBondContact O-N 3.38Å; S291-N295 PolarHBondContact O-N 2.81Å |
| 292 | F | 93.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.4 | 170 | -101.4 | 0 | 0 | 0 | 110.9 | L227 I231 F234 I255 L265 L289 A290 K294 N295 A296 | L227-F292 HydrophobicContact CB-CE2 4.37Å; I231-F292 HydrophobicContact CD1-CB 3.93Å; I231-F292 HydrophobicContact CG1-CB 4.21Å; F234-F292 HydrophobicContact CE1-CB 4.42Å; F234-F292 HydrophobicContact CE1-CD1 4.32Å; F234-F292 AromaticContact CE1-CD2 3.83Å; F234-F292 HydrophobicContact CE1-CD2 3.83Å; F234-F292 HydrophobicContact CE1-CE2 4.18Å; F234-F292 AromaticContact CE1-CG 3.9Å; F234-F292 HydrophobicContact CE1-CG 3.9Å; F234-F292 HydrophobicContact CZ-CD2 4.15Å; F234-F292 HydrophobicContact CZ-CE2 4.29Å; I255-F292 HydrophobicContact CG2-CE2 3.59Å; I255-F292 HydrophobicContact CG2-CZ 3.81Å; L265-F292 HydrophobicContact CD1-CD1 4.31Å; L265-F292 HydrophobicContact CD1-CE1 3.71Å; L265-F292 HydrophobicContact CD1-CZ 3.87Å; L265-F292 HydrophobicContact CD2-CE1 4.06Å; L265-F292 HydrophobicContact CD2-CZ 4.42Å; L289-F292 WeakPolarHBondContact O-CB 3.43Å; L289-F292 PolarHBondContact O-N 2.9Å; L289-F292 VanDerWaalsContact O-N 3.09Å; A290-F292 VanDerWaalsContact C-N 3.32Å; A290-F292 PolarHBondContact O-N 3.19Å; F292-K294 VanDerWaalsContact C-N 3.25Å; F292-K294 PolarHBondContact O-N 2.95Å; F292-N295 PolarHBondContact O-N 2.65Å; F292-N295 VanDerWaalsContact O-N 3.12Å; F292-A296 HydrophobicContact CE1-CB 4.26Å; F292-A296 HydrophobicContact CZ-CB 4.28Å; F292-A296 WeakPolarHBondContact O-CB 3.32Å; F292-A296 PolarHBondContact O-N 3.26Å |
| 293 | W | 92.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -33.6 | 179.3 | -66.8 | 125.7 | 0 | 0 | 0 | 113.1 | L265 A278 F283 Q284 L289 A290 A296 I297 L317 L320 L360 | L265-W293 HydrophobicContact CD2-CH2 3.89Å; A278-W293 HydrophobicContact CB-CH2 3.81Å; F283-W293 HydrophobicContact CB-CH2 4.49Å; F283-W293 HydrophobicContact CB-CZ2 3.75Å; F283-W293 PolarHBondContact O-NE1 2.77Å; Q284-W293 HydrophobicContact CG-CH2 4.27Å; Q284-W293 HydrophobicContact CG-CZ2 4.08Å; L289-W293 HydrophobicContact CD1-CZ2 4.5Å; L289-W293 PolarHBondContact O-N 3.24Å; A290-W293 PolarHBondContact O-N 3.22Å; W293-A296 HydrophobicContact CE3-CB 4.19Å; W293-A296 PolarHBondContact O-N 2.98Å; W293-I297 WeakPolarHBondContact O-CB 3.4Å; W293-I297 WeakPolarHBondContact O-CG1 3.47Å; W293-I297 PolarHBondContact O-N 3.39Å; W293-L317 HydrophobicContact CB-CD1 3.93Å; W293-L317 HydrophobicContact CG-CD1 4.19Å; W293-L320 HydrophobicContact CB-CD2 4.34Å; W293-L360 HydrophobicContact CE3-CD1 4.44Å; W293-L360 HydrophobicContact CE3-CD2 4Å; W293-L360 HydrophobicContact CH2-CD1 4.46Å; W293-L360 HydrophobicContact CZ3-CD1 3.69Å; W293-L360 HydrophobicContact CZ3-CD2 4Å |
| 294 | K | 92.9 | Very high | 89.9 | Confident | 96 Ų | 96 | 44.3 Ų | 44.3 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.2 | -52.4 | 170.9 | -174.9 | -176.4 | 174.8 | -169.1 | 0 | 111.2 | A290 S291 F292 A296 I297 D298 L320 | A290-K294 PolarHBondContact O-N 3.3Å; S291-K294 PolarHBondContact O-N 3.38Å; F292-K294 VanDerWaalsContact C-N 3.25Å; F292-K294 PolarHBondContact O-N 2.95Å; K294-A296 VanDerWaalsContact C-N 3.29Å; K294-A296 PolarHBondContact O-N 2.95Å; K294-I297 PolarHBondContact O-N 2.63Å; K294-D298 PolarHBondContact O-N 2.98Å; K294-L320 HydrophobicContact CB-CD2 4.3Å |
| 295 | N | 95.4 | Very high | 90.6 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.123 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 177.2 | -61.9 | -12.5 | 0 | 0 | 0 | 111.3 | F226 L227 K229 S291 F292 D298 W299 | F226-N295 WeakPolarHBondContact CE1-O 3.14Å; L227-N295 WeakPolarHBondContact O-CB 3.43Å; L227-N295 PolarHBondContact O-ND2 3.43Å; K229-N295 PolarHBondContact O-ND2 3.47Å; S291-N295 PolarHBondContact O-N 2.81Å; F292-N295 PolarHBondContact O-N 2.65Å; F292-N295 VanDerWaalsContact O-N 3.12Å; N295-D298 PolarHBondContact O-N 3.29Å; N295-W299 VanDerWaalsContact O-CB 3.28Å; N295-W299 WeakPolarHBondContact O-CB 3.31Å; N295-W299 PolarHBondContact O-N 3.29Å |
| 296 | A | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L227 I276 F292 W293 K294 W299 L300 | L227-A296 HydrophobicContact CD2-CB 4.44Å; I276-A296 HydrophobicContact CD1-CB 3.54Å; F292-A296 HydrophobicContact CE1-CB 4.26Å; F292-A296 HydrophobicContact CZ-CB 4.28Å; F292-A296 WeakPolarHBondContact O-CB 3.32Å; F292-A296 PolarHBondContact O-N 3.26Å; W293-A296 HydrophobicContact CE3-CB 4.19Å; W293-A296 PolarHBondContact O-N 2.98Å; K294-A296 VanDerWaalsContact C-N 3.29Å; K294-A296 PolarHBondContact O-N 2.95Å; A296-W299 PolarHBondContact O-N 2.85Å; A296-L300 WeakPolarHBondContact O-CB 3.5Å; A296-L300 WeakPolarHBondContact O-CG 3.29Å; A296-L300 PolarHBondContact O-N 2.73Å |
| 297 | I | 95 | Very high | 92 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 179.9 | -68 | -69.9 | 0 | 0 | 0 | 111.3 | W293 K294 W299 L300 D301 L320 L322 V335 V337 L360 | W293-I297 WeakPolarHBondContact O-CB 3.4Å; W293-I297 WeakPolarHBondContact O-CG1 3.47Å; W293-I297 PolarHBondContact O-N 3.39Å; K294-I297 PolarHBondContact O-N 2.63Å; I297-W299 VanDerWaalsContact C-N 3.3Å; I297-W299 PolarHBondContact O-N 3.46Å; I297-L300 HydrophobicContact CD1-CD1 4.41Å; I297-L300 PolarHBondContact O-N 2.91Å; I297-D301 WeakPolarHBondContact O-CB 3.36Å; I297-D301 PolarHBondContact O-N 3.18Å; I297-L320 HydrophobicContact CB-CD1 4.4Å; I297-L320 HydrophobicContact CB-CD2 4.4Å; I297-L320 HydrophobicContact CD1-CD1 4.49Å; I297-L320 HydrophobicContact CG1-CD1 3.84Å; I297-L320 HydrophobicContact CG1-CD2 4.12Å; I297-L320 HydrophobicContact CG2-CB 4.47Å; I297-L320 HydrophobicContact CG2-CD1 4.29Å; I297-L322 HydrophobicContact CG2-CD1 3.44Å; I297-L322 VanDerWaalsContact CG2-CD1 3.44Å; I297-L322 HydrophobicContact CG2-CG 4.31Å; I297-V335 HydrophobicContact CD1-CG1 3.9Å; I297-V337 HydrophobicContact CD1-CG2 4.04Å; I297-L360 HydrophobicContact CD1-CD2 4.09Å |
| 298 | D | 95.2 | Very high | 92.6 | Very high | 36 Ų | 36 | 39.6 Ų | 39.6 | 19% | 0.193 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.7 | -39.1 | 173.7 | -80.7 | -35.6 | 0 | 0 | 0 | 111.5 | F226 K294 N295 Q302 K305 | F226-D298 HydrophobicContact CE1-CB 4.32Å; F226-D298 HydrophobicContact CZ-CB 4.18Å; K294-D298 PolarHBondContact O-N 2.98Å; N295-D298 PolarHBondContact O-N 3.29Å; D298-Q302 PolarHBondContact O-N 3.47Å; D298-K305 IonicContact OD1-NZ 3.46Å |
| 299 | W | 96.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -42.5 | 176.2 | -174.4 | 80.2 | 0 | 0 | 0 | 111.8 | D223 F226 L227 F253 Y269 R274 I276 N295 A296 I297 Q302 | D223-W299 HydrophobicContact CB-CZ2 4.45Å; D223-W299 PolarHBondContact OD1-NE1 3.07Å; F226-W299 HydrophobicContact CD1-CB 3.86Å; F226-W299 AromaticContact CD1-CD1 3.79Å; F226-W299 HydrophobicContact CD1-CG 4.2Å; F226-W299 HydrophobicContact CE1-CB 3.67Å; F226-W299 HydrophobicContact CE1-CG 4.41Å; L227-W299 HydrophobicContact CD1-CD2 4.41Å; L227-W299 HydrophobicContact CD2-CB 3.74Å; L227-W299 HydrophobicContact CD2-CD2 4.1Å; L227-W299 HydrophobicContact CD2-CE3 4.37Å; L227-W299 HydrophobicContact CD2-CG 3.84Å; L227-W299 HydrophobicContact CG-CD2 4.46Å; L227-W299 HydrophobicContact CG-CG 4.24Å; F253-W299 HydrophobicContact CE1-CH2 4.33Å; F253-W299 HydrophobicContact CE1-CZ2 4.25Å; F253-W299 HydrophobicContact CZ-CH2 4.09Å; F253-W299 AromaticContact CZ-CZ2 3.9Å; F253-W299 HydrophobicContact CZ-CZ2 3.9Å; Y269-W299 HydrophobicContact CE1-CZ2 4.48Å; Y269-W299 AromaticContact CE2-CZ2 3.98Å; Y269-W299 HydrophobicContact CE2-CZ2 3.98Å; Y269-W299 AromaticContact CZ-CZ2 3.88Å; R274-W299 HydrophobicContact CB-CE3 3.99Å; R274-W299 HydrophobicContact CB-CH2 3.77Å; R274-W299 HydrophobicContact CB-CZ2 4.42Å; R274-W299 HydrophobicContact CB-CZ3 3.54Å; R274-W299 WeakPolarHBondContact CD-O 3.46Å; R274-W299 HydrophobicContact CG-CE3 4.31Å; R274-W299 HydrophobicContact CG-CH2 3.67Å; R274-W299 HydrophobicContact CG-CZ2 3.87Å; R274-W299 HydrophobicContact CG-CZ3 3.92Å; R274-W299 PolarHBondContact NH1-O 2.86Å; I276-W299 HydrophobicContact CD1-CE3 3.77Å; I276-W299 HydrophobicContact CD1-CZ3 4.15Å; I276-W299 HydrophobicContact CG1-CE3 3.96Å; I276-W299 HydrophobicContact CG1-CZ3 3.8Å; N295-W299 VanDerWaalsContact O-CB 3.28Å; N295-W299 WeakPolarHBondContact O-CB 3.31Å; N295-W299 PolarHBondContact O-N 3.29Å; A296-W299 PolarHBondContact O-N 2.85Å; I297-W299 VanDerWaalsContact C-N 3.3Å; I297-W299 PolarHBondContact O-N 3.46Å; W299-Q302 PolarHBondContact O-N 3.08Å |
| 300 | L | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68 | -37.2 | 178.1 | -71.6 | 170.2 | 0 | 0 | 0 | 112.9 | R274 I276 A296 I297 Q302 R304 V335 L359 L360 | R274-L300 VanDerWaalsContact C-CD2 3.5Å; R274-L300 HydrophobicContact CB-CD2 3.91Å; R274-L300 WeakPolarHBondContact O-CD2 3.38Å; I276-L300 HydrophobicContact CB-CD1 4.46Å; I276-L300 HydrophobicContact CD1-CD1 4.21Å; I276-L300 HydrophobicContact CD1-CD2 4.41Å; I276-L300 HydrophobicContact CD1-CG 4.12Å; I276-L300 HydrophobicContact CG1-CD1 4.47Å; I276-L300 HydrophobicContact CG1-CD2 4.15Å; I276-L300 HydrophobicContact CG1-CG 4.38Å; A296-L300 WeakPolarHBondContact O-CB 3.5Å; A296-L300 WeakPolarHBondContact O-CG 3.29Å; A296-L300 PolarHBondContact O-N 2.73Å; I297-L300 HydrophobicContact CD1-CD1 4.41Å; I297-L300 PolarHBondContact O-N 2.91Å; L300-Q302 VanDerWaalsContact C-N 3.28Å; L300-Q302 PolarHBondContact O-N 2.96Å; L300-R304 PolarHBondContact O-NH2 2.86Å; L300-V335 HydrophobicContact CB-CG1 4.12Å; L300-V335 HydrophobicContact CB-CG2 3.87Å; L300-V335 HydrophobicContact CD1-CG1 4.05Å; L300-L359 WeakPolarHBondContact CD2-O 3.19Å; L300-L360 HydrophobicContact CD1-CB 3.78Å |
| 301 | D | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72 | -20.4 | 179.1 | 176.6 | 75.2 | 0 | 0 | 0 | 113.1 | I297 G303 R304 K305 G306 L322 S334 V335 | I297-D301 WeakPolarHBondContact O-CB 3.36Å; I297-D301 PolarHBondContact O-N 3.18Å; D301-G303 PolarHBondContact O-N 2.85Å; D301-G303 VanDerWaalsContact O-N 3.09Å; D301-G303 WeakPolarHBondContact OD2-CA 3.35Å; D301-G303 PolarHBondContact OD2-N 2.94Å; D301-R304 WeakPolarHBondContact O-CB 3.47Å; D301-R304 WeakPolarHBondContact O-CG 3.34Å; D301-R304 PolarHBondContact O-N 3.38Å; D301-R304 VanDerWaalsContact O-N 3.09Å; D301-R304 PolarHBondContact O-NE 3.41Å; D301-R304 VanDerWaalsContact O-NE 3.11Å; D301-R304 PolarHBondContact O-NH1 3.03Å; D301-R304 PolarHBondContact O-NH2 3.39Å; D301-R304 PolarHBondContact OD2-N 2.9Å; D301-K305 PolarHBondContact OD1-N 2.86Å; D301-K305 PolarHBondContact OD2-N 2.98Å; D301-G306 PolarHBondContact OD1-N 3.25Å; D301-L322 HydrophobicContact CB-CD1 3.62Å; D301-S334 VanDerWaalsContact OD1-CB 3.23Å; D301-S334 WeakPolarHBondContact OD1-CB 3.42Å; D301-S334 PolarHBondContact OD1-OG 2.8Å; D301-V335 HydrophobicContact CB-CG2 3.92Å |
| 302 | Q | 91.7 | Very high | 93.4 | Very high | 60 Ų | 60 | 37.6 Ų | 37.6 | 28% | 0.28 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 28.1 | -178.9 | -51.1 | 178.9 | 28.9 | 0 | 0 | 113.3 | L176 R272 D298 W299 L300 R304 G356 | L176-Q302 HydrophobicContact CD1-CG 4.39Å; R272-Q302 PolarHBondContact O-NE2 3.28Å; D298-Q302 PolarHBondContact O-N 3.47Å; W299-Q302 PolarHBondContact O-N 3.08Å; L300-Q302 VanDerWaalsContact C-N 3.28Å; L300-Q302 PolarHBondContact O-N 2.96Å; Q302-R304 VanDerWaalsContact C-N 3.31Å; Q302-R304 VanDerWaalsContact CD-NH1 3.34Å; Q302-R304 PolarHBondContact O-N 3.29Å; Q302-G356 PolarHBondContact NE2-O 3.37Å |
| 303 | G | 90 | Very high | 92.8 | Very high | 53 Ų | 53 | 40 Ų | 40 | 55% | 0.546 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 9.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D301 K305 | D301-G303 PolarHBondContact O-N 2.85Å; D301-G303 VanDerWaalsContact O-N 3.09Å; D301-G303 WeakPolarHBondContact OD2-CA 3.35Å; D301-G303 PolarHBondContact OD2-N 2.94Å; G303-K305 PolarHBondContact O-N 3.49Å |
| 304 | R | 91.1 | Very high | 92.5 | Very high | 102 Ų | 102 | 40.1 Ų | 40.1 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | trans | -62.3 | -22.1 | 175.9 | -69.2 | -178.9 | -67 | -96.1 | 2 | 113.2 | L300 D301 Q302 G306 S334 G356 | L300-R304 PolarHBondContact O-NH2 2.86Å; D301-R304 WeakPolarHBondContact O-CB 3.47Å; D301-R304 WeakPolarHBondContact O-CG 3.34Å; D301-R304 PolarHBondContact O-N 3.38Å; D301-R304 VanDerWaalsContact O-N 3.09Å; D301-R304 PolarHBondContact O-NE 3.41Å; D301-R304 VanDerWaalsContact O-NE 3.11Å; D301-R304 PolarHBondContact O-NH1 3.03Å; D301-R304 PolarHBondContact O-NH2 3.39Å; D301-R304 PolarHBondContact OD2-N 2.9Å; Q302-R304 VanDerWaalsContact C-N 3.31Å; Q302-R304 VanDerWaalsContact CD-NH1 3.34Å; Q302-R304 PolarHBondContact O-N 3.29Å; R304-G306 PolarHBondContact O-N 3.28Å; R304-S334 PolarHBondContact NE-OG 3.21Å; R304-S334 PolarHBondContact NH2-O 3.23Å; R304-S334 PolarHBondContact NH2-OG 2.88Å; R304-G356 VanDerWaalsContact CZ-O 3.22Å; R304-G356 PolarHBondContact NH1-O 3.42Å; R304-G356 PolarHBondContact NH2-O 3.33Å | ||
| 305 | K | 90.8 | Very high | 92 | Very high | 130 Ų | 130 | 40.7 Ų | 40.7 | 57% | 0.565 | 21% | 0.214 | S | C | * | . | trans | 54.3 | 34.8 | -174.9 | -59.3 | -55.1 | -175.8 | -173.2 | 0 | 112.7 | D298 D301 G303 L322 | D298-K305 IonicContact OD1-NZ 3.46Å; D301-K305 PolarHBondContact OD1-N 2.86Å; D301-K305 PolarHBondContact OD2-N 2.98Å; G303-K305 PolarHBondContact O-N 3.49Å; K305-L322 HydrophobicContact CB-CD2 4.45Å; K305-L322 HydrophobicContact CD-CD2 3.83Å | ||
| 306 | G | 91.3 | Very high | 91.4 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | trans | -86.4 | -162.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D301 R304 | D301-G306 PolarHBondContact OD1-N 3.25Å; R304-G306 PolarHBondContact O-N 3.28Å | ||
| 307 | V | 94.3 | Very high | 90.4 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 24% | 0.242 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128 | -178.2 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | T323 K325 L333 S334 V335 | V307-T323 WeakPolarHBondContact CA-O 3.01Å; V307-T323 HydrophobicContact CG2-CG2 4.36Å; V307-K325 HydrophobicContact CG1-CD 3.73Å; V307-K325 HydrophobicContact CG1-CG 3.73Å; V307-L333 HydrophobicContact CB-CD2 4.27Å; V307-L333 HydrophobicContact CG1-CD2 3.98Å; V307-S334 PolarHBondContact O-N 3.18Å; V307-V335 PolarHBondContact O-N 2.98Å |
| 308 | A | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 109.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | F310 T323 C324 K325 V335 | A308-F310 HydrophobicContact CB-CE2 4.08Å; A308-T323 PolarHBondContact N-O 2.91Å; A308-C324 WeakPolarHBondContact O-CA 3.31Å; A308-K325 PolarHBondContact O-N 2.9Å; A308-V335 CarbonylContact C-O 3.59Å; A308-V335 WeakPolarHBondContact CA-O 3.28Å; A308-V335 HydrophobicContact CB-CB 4.27Å |
| 309 | G | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K325 V335 V337 | G309-K325 WeakPolarHBondContact CA-O 3.17Å; G309-V335 PolarHBondContact N-O 2.95Å; G309-V337 PolarHBondContact O-N 2.87Å |
| 310 | F | 93.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 124.3 | 175.8 | -70.7 | -105 | 0 | 0 | 0 | 109.7 | A308 V314 L316 L317 L320 C324 K325 K326 T327 V337 | A308-F310 HydrophobicContact CB-CE2 4.08Å; F310-V314 HydrophobicContact CD1-CG1 3.9Å; F310-L316 HydrophobicContact CB-CD1 4.22Å; F310-L316 HydrophobicContact CD2-CD1 3.8Å; F310-L316 HydrophobicContact CD2-CG 4.39Å; F310-L316 HydrophobicContact CE2-CD1 4.43Å; F310-L316 HydrophobicContact CG-CD1 4.04Å; F310-L317 HydrophobicContact CE1-CB 4.36Å; F310-L317 HydrophobicContact CE1-CD1 3.95Å; F310-L317 HydrophobicContact CE1-CG 3.9Å; F310-L317 HydrophobicContact CZ-CB 4.15Å; F310-L317 HydrophobicContact CZ-CD1 4.04Å; F310-L317 HydrophobicContact CZ-CG 4.12Å; F310-L320 HydrophobicContact CE2-CD1 4.31Å; F310-L320 HydrophobicContact CZ-CD1 3.77Å; F310-C324 HydrophobicContact CD2-CB 4.31Å; F310-C324 HydrophobicContact CE2-CB 3.86Å; F310-K325 PolarHBondContact N-O 2.99Å; F310-K326 CarbonylContact O-C 3.55Å; F310-K326 VanDerWaalsContact O-CA 3.29Å; F310-K326 WeakPolarHBondContact O-CA 3.26Å; F310-T327 PolarHBondContact O-N 3.35Å; F310-V337 HydrophobicContact CD1-CB 3.78Å; F310-V337 HydrophobicContact CD1-CG1 3.85Å; F310-V337 HydrophobicContact CD1-CG2 4.09Å; F310-V337 HydrophobicContact CD2-CG2 4.43Å; F310-V337 HydrophobicContact CE1-CB 3.98Å; F310-V337 HydrophobicContact CE1-CG1 3.88Å; F310-V337 HydrophobicContact CE1-CG2 3.86Å; F310-V337 HydrophobicContact CE2-CG2 4.2Å; F310-V337 HydrophobicContact CG-CB 4.16Å; F310-V337 HydrophobicContact CG-CG2 4.37Å; F310-V337 HydrophobicContact CZ-CB 4.49Å; F310-V337 HydrophobicContact CZ-CG2 3.91Å |
| 311 | E | 93 | Very high | 86.3 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 147.5 | 175 | -178 | 177.6 | -129.8 | 0 | 0 | 111.2 | G313 V314 F336 V337 C338 K339 T342 | E311-G313 PolarHBondContact O-N 3.43Å; E311-V314 HydrophobicContact CB-CG2 4.05Å; E311-V314 WeakPolarHBondContact O-CB 3.08Å; E311-V314 PolarHBondContact O-N 2.97Å; E311-F336 HydrophobicContact CB-CE2 4.29Å; E311-F336 HydrophobicContact CB-CZ 4.37Å; E311-V337 WeakPolarHBondContact CB-O 3.43Å; E311-V337 PolarHBondContact N-O 2.8Å; E311-C338 HydrophobicContact CB-CB 4.16Å; E311-K339 PolarHBondContact OE2-N 3.02Å; E311-T342 VanDerWaalsContact OE1-CB 3.23Å; E311-T342 WeakPolarHBondContact OE1-CB 3.4Å; E311-T342 PolarHBondContact OE1-OG1 3.02Å |
| 312 | R | 86.9 | Confident | 85.7 | Confident | 189 Ų | 189 | 57.6 Ų | 57.6 | 71% | 0.713 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 124.7 | 175.5 | -65 | -174.3 | -175.9 | -154 | -3 | 110 | N328 | R312-N328 PolarHBondContact NE-OD1 3.22Å; R312-N328 VanDerWaalsContact NE-OD1 3.11Å |
| 313 | G | 81.9 | Confident | 85.6 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 55% | 0.546 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -4.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E311 K339 | E311-G313 PolarHBondContact O-N 3.43Å; G313-K339 WeakPolarHBondContact O-CE 3.42Å; G313-K339 PolarHBondContact O-NZ 3.43Å |
| 314 | V | 85.9 | Confident | 85.6 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -88.9 | 137.6 | 163.8 | -173.2 | 0 | 0 | 0 | 0 | 109.1 | F310 E311 K326 V337 K339 | F310-V314 HydrophobicContact CD1-CG1 3.9Å; E311-V314 HydrophobicContact CB-CG2 4.05Å; E311-V314 WeakPolarHBondContact O-CB 3.08Å; E311-V314 PolarHBondContact O-N 2.97Å; V314-K326 WeakPolarHBondContact O-CE 3.47Å; V314-V337 HydrophobicContact CG1-CG1 4.1Å; V314-K339 HydrophobicContact CG2-CD 3.97Å; V314-K339 HydrophobicContact CG2-CG 3.98Å |
| 315 | K | 82.6 | Confident | 85.6 | Confident | 108 Ų | 108 | 58 Ų | 58 | 47% | 0.47 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 134.4 | 177.6 | -170.5 | 179.4 | 176.3 | -175.1 | 0 | 109 | Q285 | Q285-K315 HydrophobicContact CB-CD 4.37Å; Q285-K315 HydrophobicContact CG-CB 4.14Å; Q285-K315 HydrophobicContact CG-CD 4.1Å |
| 316 | L | 82.1 | Confident | 85.7 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 136.9 | 173.4 | -148.2 | 95.5 | 0 | 0 | 0 | 108.8 | F310 C324 K326 | F310-L316 HydrophobicContact CB-CD1 4.22Å; F310-L316 HydrophobicContact CD2-CD1 3.8Å; F310-L316 HydrophobicContact CD2-CG 4.39Å; F310-L316 HydrophobicContact CE2-CD1 4.43Å; F310-L316 HydrophobicContact CG-CD1 4.04Å; L316-C324 HydrophobicContact CD1-CB 4.16Å; L316-C324 HydrophobicContact CD2-CB 3.93Å; L316-C324 HydrophobicContact CG-CB 4.05Å; L316-K326 HydrophobicContact CD1-CG 4.08Å |
| 317 | L | 75.6 | Confident | 85.8 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -90.2 | 128.3 | 174.3 | -64.4 | 170.8 | 0 | 0 | 0 | 108.8 | Q284 W293 F310 L320 | Q284-L317 HydrophobicContact CB-CD2 4.45Å; Q284-L317 WeakPolarHBondContact O-CD2 3.49Å; W293-L317 HydrophobicContact CB-CD1 3.93Å; W293-L317 HydrophobicContact CG-CD1 4.19Å; F310-L317 HydrophobicContact CE1-CB 4.36Å; F310-L317 HydrophobicContact CE1-CD1 3.95Å; F310-L317 HydrophobicContact CE1-CG 3.9Å; F310-L317 HydrophobicContact CZ-CB 4.15Å; F310-L317 HydrophobicContact CZ-CD1 4.04Å; F310-L317 HydrophobicContact CZ-CG 4.12Å; L317-L320 HydrophobicContact CB-CD1 3.42Å; L317-L320 VanDerWaalsContact CB-CD1 3.42Å; L317-L320 HydrophobicContact CB-CD2 3.98Å; L317-L320 HydrophobicContact CB-CG 3.67Å; L317-L320 HydrophobicContact CD1-CD1 3.88Å; L317-L320 HydrophobicContact CD1-CD2 4.18Å; L317-L320 HydrophobicContact CD1-CG 4.5Å; L317-L320 HydrophobicContact CG-CD1 4.25Å |
| 318 | S | 70.9 | Confident | 85.7 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 69% | 0.692 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -79.6 | 152 | 175.5 | -53.6 | 0 | 0 | 0 | 0 | 110.6 | L320 | S318-L320 PolarHBondContact O-N 3.15Š|
| 319 | N | 72.1 | Confident | 85.7 | Confident | 151 Ų | 151 | 63.6 Ų | 63.6 | 81% | 0.807 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 63.4 | 30.7 | 169.5 | -55.1 | -24.9 | 0 | 0 | 0 | 116.4 | G321 | N319-G321 VanDerWaalsContact C-N 3.3Å; N319-G321 PolarHBondContact O-N 2.91Å |
| 320 | L | 78.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 36% | 0.36 | C | S | . | . | trans | -77.9 | -5.5 | 177.9 | -68.7 | -179.5 | 0 | 0 | 0 | 115.3 | W293 K294 I297 F310 L317 S318 L322 | W293-L320 HydrophobicContact CB-CD2 4.34Å; K294-L320 HydrophobicContact CB-CD2 4.3Å; I297-L320 HydrophobicContact CB-CD1 4.4Å; I297-L320 HydrophobicContact CB-CD2 4.4Å; I297-L320 HydrophobicContact CD1-CD1 4.49Å; I297-L320 HydrophobicContact CG1-CD1 3.84Å; I297-L320 HydrophobicContact CG1-CD2 4.12Å; I297-L320 HydrophobicContact CG2-CB 4.47Å; I297-L320 HydrophobicContact CG2-CD1 4.29Å; F310-L320 HydrophobicContact CE2-CD1 4.31Å; F310-L320 HydrophobicContact CZ-CD1 3.77Å; L317-L320 HydrophobicContact CB-CD1 3.42Å; L317-L320 VanDerWaalsContact CB-CD1 3.42Å; L317-L320 HydrophobicContact CB-CD2 3.98Å; L317-L320 HydrophobicContact CB-CG 3.67Å; L317-L320 HydrophobicContact CD1-CD1 3.88Å; L317-L320 HydrophobicContact CD1-CD2 4.18Å; L317-L320 HydrophobicContact CD1-CG 4.5Å; L317-L320 HydrophobicContact CG-CD1 4.25Å; S318-L320 PolarHBondContact O-N 3.15Å; L320-L322 PolarHBondContact O-N 2.84Å | ||
| 321 | G | 75.4 | Confident | 85.5 | Confident | 60 Ų | 60 | 69.5 Ų | 69.5 | 62% | 0.619 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 71.4 | 6.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N319 | N319-G321 VanDerWaalsContact C-N 3.3Å; N319-G321 PolarHBondContact O-N 2.91Å |
| 322 | L | 83.4 | Confident | 85.5 | Confident | 21 Ų | 21 | 76.1 Ų | 76.1 | 11% | 0.11 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -124.2 | 157.3 | 171.7 | -67.3 | 179.4 | 0 | 0 | 0 | 110.9 | I297 D301 K305 L320 C324 | I297-L322 HydrophobicContact CG2-CD1 3.44Å; I297-L322 VanDerWaalsContact CG2-CD1 3.44Å; I297-L322 HydrophobicContact CG2-CG 4.31Å; D301-L322 HydrophobicContact CB-CD1 3.62Å; K305-L322 HydrophobicContact CB-CD2 4.45Å; K305-L322 HydrophobicContact CD-CD2 3.83Å; L320-L322 PolarHBondContact O-N 2.84Å; L322-C324 PolarHBondContact O-N 3.27Å; L322-C324 VanDerWaalsContact O-N 3.1Å; L322-C324 PolarHBondContact O-SG 2.86Å |
| 323 | T | 88.9 | Confident | 85.9 | Confident | 97 Ų | 97 | 67.6 Ų | 67.6 | 60% | 0.595 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 109.2 | 170.7 | -60 | 0 | 0 | 0 | 0 | 109.3 | V307 A308 | V307-T323 WeakPolarHBondContact CA-O 3.01Å; V307-T323 HydrophobicContact CG2-CG2 4.36Å; A308-T323 PolarHBondContact N-O 2.91Å |
| 324 | C | 90 | Very high | 86.6 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 20% | 0.203 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.7 | -178.9 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | A308 F310 L316 L322 | A308-C324 WeakPolarHBondContact O-CA 3.31Å; F310-C324 HydrophobicContact CD2-CB 4.31Å; F310-C324 HydrophobicContact CE2-CB 3.86Å; L316-C324 HydrophobicContact CD1-CB 4.16Å; L316-C324 HydrophobicContact CD2-CB 3.93Å; L316-C324 HydrophobicContact CG-CB 4.05Å; L322-C324 PolarHBondContact O-N 3.27Å; L322-C324 VanDerWaalsContact O-N 3.1Å; L322-C324 PolarHBondContact O-SG 2.86Å |
| 325 | K | 91.3 | Very high | 87.1 | Confident | 96 Ų | 96 | 65.3 Ų | 65.3 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.5 | 175.7 | 71.2 | -177.4 | -175.4 | -170.7 | 0 | 112 | V307 A308 G309 F310 T327 | V307-K325 HydrophobicContact CG1-CD 3.73Å; V307-K325 HydrophobicContact CG1-CG 3.73Å; A308-K325 PolarHBondContact O-N 2.9Å; G309-K325 WeakPolarHBondContact CA-O 3.17Å; F310-K325 PolarHBondContact N-O 2.99Å; K325-T327 HydrophobicContact CG-CG2 4.04Å |
| 326 | K | 93.1 | Very high | 87.8 | Confident | 132 Ų | 132 | 60.2 Ų | 60.2 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 125.9 | 164.5 | -74.2 | -172.9 | 177.3 | 178.9 | 0 | 109.1 | F310 V314 L316 | F310-K326 CarbonylContact O-C 3.55Å; F310-K326 VanDerWaalsContact O-CA 3.29Å; F310-K326 WeakPolarHBondContact O-CA 3.26Å; V314-K326 WeakPolarHBondContact O-CE 3.47Å; L316-K326 HydrophobicContact CD1-CG 4.08Å |
| 327 | T | 92.6 | Very high | 88.5 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 20% | 0.202 | 33% | 0.326 | C | S | . | . | trans | -157.3 | 163.3 | -175.1 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | F310 K325 L333 | F310-T327 PolarHBondContact O-N 3.35Å; K325-T327 HydrophobicContact CG-CG2 4.04Å; T327-L333 HydrophobicContact CG2-CD1 4.11Å; T327-L333 HydrophobicContact CG2-CD2 4.14Å | ||
| 328 | N | 91.5 | Very high | 89.4 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | trans | -76.4 | 163.9 | 165 | -63.6 | -10.1 | 0 | 0 | 0 | 108.2 | R312 S330 | R312-N328 PolarHBondContact NE-OD1 3.22Å; R312-N328 VanDerWaalsContact NE-OD1 3.11Å; N328-S330 PolarHBondContact O-N 2.93Å | ||
| 329 | F | 94.8 | Very high | 90.5 | Very high | 50 Ų | 50 | 53.4 Ų | 53.4 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | trans | -54.5 | 138.8 | 175.5 | 173.5 | -91.8 | 0 | 0 | 0 | 111.6 | F336 V344 T348 F352 | F329-F336 HydrophobicContact CB-CE1 4.41Å; F329-F336 HydrophobicContact CB-CE2 4.1Å; F329-F336 HydrophobicContact CB-CZ 3.94Å; F329-F336 AromaticContact CD2-CD1 3.78Å; F329-F336 HydrophobicContact CD2-CD1 3.78Å; F329-F336 HydrophobicContact CD2-CD2 4.23Å; F329-F336 AromaticContact CD2-CE1 3.86Å; F329-F336 HydrophobicContact CD2-CE1 3.86Å; F329-F336 HydrophobicContact CD2-CE2 4.33Å; F329-F336 AromaticContact CD2-CG 3.97Å; F329-F336 HydrophobicContact CD2-CG 3.97Å; F329-F336 HydrophobicContact CD2-CZ 4.15Å; F329-F336 HydrophobicContact CE2-CD1 4.39Å; F329-V344 HydrophobicContact CB-CG1 4.08Å; F329-V344 HydrophobicContact CB-CG2 3.79Å; F329-V344 HydrophobicContact CD1-CG1 4.27Å; F329-V344 HydrophobicContact CD2-CG1 4.43Å; F329-V344 HydrophobicContact CG-CG1 3.98Å; F329-T348 HydrophobicContact CD1-CG2 3.84Å; F329-T348 HydrophobicContact CE1-CG2 3.25Å; F329-T348 HydrophobicContact CZ-CG2 3.74Å; F329-F352 HydrophobicContact CE2-CB 3.92Å; F329-F352 HydrophobicContact CE2-CD1 4.17Å; F329-F352 HydrophobicContact CE2-CD2 4.32Å; F329-F352 AromaticContact CE2-CG 3.87Å; F329-F352 HydrophobicContact CE2-CG 3.87Å; F329-F352 HydrophobicContact CZ-CB 3.8Å; F329-F352 HydrophobicContact CZ-CD2 4.39Å; F329-F352 HydrophobicContact CZ-CG 4.11Å | ||
| 330 | S | 93.7 | Very high | 91.5 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | trans | -147.8 | 141.6 | 171.8 | 169.6 | 0 | 0 | 0 | 0 | 108.6 | N328 E332 L333 | N328-S330 PolarHBondContact O-N 2.93Å; S330-E332 PolarHBondContact O-N 2.91Å; S330-E332 PolarHBondContact OG-N 3.49Å; S330-L333 WeakPolarHBondContact O-CB 3.35Å; S330-L333 WeakPolarHBondContact O-CG 3.34Å; S330-L333 PolarHBondContact O-N 2.89Å | ||
| 331 | S | 91.1 | Very high | 92.2 | Very high | 86 Ų | 86 | 50.6 Ų | 50.6 | 60% | 0.601 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.4 | 176.3 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | L333 | S331-L333 VanDerWaalsContact C-N 3.27Å; S331-L333 PolarHBondContact O-N 3.37Å |
| 332 | E | 93.3 | Very high | 93 | Very high | 170 Ų | 170 | 48.1 Ų | 48.1 | 79% | 0.794 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -7.6 | 177.4 | -59.6 | -177.9 | 157.4 | 0 | 0 | 113.4 | S330 | S330-E332 PolarHBondContact O-N 2.91Å; S330-E332 PolarHBondContact OG-N 3.49Å |
| 333 | L | 95.8 | Very high | 93.3 | Very high | 10 Ų | 10 | 55 Ų | 55 | 5% | 0.052 | 28% | 0.284 | C | S | . | . | trans | -68 | 145.2 | 177.8 | -63.9 | 175.2 | 0 | 0 | 0 | 110.2 | V307 T327 S330 S331 F336 F352 | V307-L333 HydrophobicContact CB-CD2 4.27Å; V307-L333 HydrophobicContact CG1-CD2 3.98Å; T327-L333 HydrophobicContact CG2-CD1 4.11Å; T327-L333 HydrophobicContact CG2-CD2 4.14Å; S330-L333 WeakPolarHBondContact O-CB 3.35Å; S330-L333 WeakPolarHBondContact O-CG 3.34Å; S330-L333 PolarHBondContact O-N 2.89Å; S331-L333 VanDerWaalsContact C-N 3.27Å; S331-L333 PolarHBondContact O-N 3.37Å; L333-F336 HydrophobicContact CD1-CB 4.41Å; L333-F336 HydrophobicContact CD1-CD2 3.91Å; L333-F352 HydrophobicContact CB-CE2 4.44Å; L333-F352 HydrophobicContact CB-CZ 4.32Å; L333-F352 WeakPolarHBondContact O-CE2 3.45Å; L333-F352 WeakPolarHBondContact O-CZ 3.22Å | ||
| 334 | S | 96.1 | Very high | 93.6 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 5% | 0.049 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -82 | -37.8 | 168.9 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | D301 R304 V307 G358 | D301-S334 VanDerWaalsContact OD1-CB 3.23Å; D301-S334 WeakPolarHBondContact OD1-CB 3.42Å; D301-S334 PolarHBondContact OD1-OG 2.8Å; R304-S334 PolarHBondContact NE-OG 3.21Å; R304-S334 PolarHBondContact NH2-O 3.23Å; R304-S334 PolarHBondContact NH2-OG 2.88Å; V307-S334 PolarHBondContact O-N 3.18Å; S334-G358 PolarHBondContact O-N 3.09Å |
| 335 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 130 | 176.9 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | I297 L300 D301 V307 A308 G309 V337 G358 | I297-V335 HydrophobicContact CD1-CG1 3.9Å; L300-V335 HydrophobicContact CB-CG1 4.12Å; L300-V335 HydrophobicContact CB-CG2 3.87Å; L300-V335 HydrophobicContact CD1-CG1 4.05Å; D301-V335 HydrophobicContact CB-CG2 3.92Å; V307-V335 PolarHBondContact O-N 2.98Å; A308-V335 CarbonylContact C-O 3.59Å; A308-V335 WeakPolarHBondContact CA-O 3.28Å; A308-V335 HydrophobicContact CB-CB 4.27Å; G309-V335 PolarHBondContact N-O 2.95Å; V335-V337 HydrophobicContact CG1-CG2 4.17Å; V335-G358 CarbonylContact C-O 3.5Å; V335-G358 VanDerWaalsContact CA-O 3.23Å; V335-G358 WeakPolarHBondContact CA-O 3.48Å |
| 336 | F | 97.1 | Very high | 94 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.2 | 171.1 | -177.2 | -128.2 | 0 | 0 | 0 | 110 | E311 F329 L333 C338 V344 I349 F352 G358 L359 L360 | E311-F336 HydrophobicContact CB-CE2 4.29Å; E311-F336 HydrophobicContact CB-CZ 4.37Å; F329-F336 HydrophobicContact CB-CE1 4.41Å; F329-F336 HydrophobicContact CB-CE2 4.1Å; F329-F336 HydrophobicContact CB-CZ 3.94Å; F329-F336 AromaticContact CD2-CD1 3.78Å; F329-F336 HydrophobicContact CD2-CD1 3.78Å; F329-F336 HydrophobicContact CD2-CD2 4.23Å; F329-F336 AromaticContact CD2-CE1 3.86Å; F329-F336 HydrophobicContact CD2-CE1 3.86Å; F329-F336 HydrophobicContact CD2-CE2 4.33Å; F329-F336 AromaticContact CD2-CG 3.97Å; F329-F336 HydrophobicContact CD2-CG 3.97Å; F329-F336 HydrophobicContact CD2-CZ 4.15Å; F329-F336 HydrophobicContact CE2-CD1 4.39Å; L333-F336 HydrophobicContact CD1-CB 4.41Å; L333-F336 HydrophobicContact CD1-CD2 3.91Å; F336-C338 HydrophobicContact CD1-CB 4.11Å; F336-C338 HydrophobicContact CE1-CB 3.47Å; F336-C338 VanDerWaalsContact CE1-CB 3.47Å; F336-C338 HydrophobicContact CE2-CB 4.36Å; F336-C338 HydrophobicContact CZ-CB 3.62Å; F336-V344 HydrophobicContact CZ-CG2 4.27Å; F336-I349 HydrophobicContact CE1-CD1 4.05Å; F336-I349 HydrophobicContact CE1-CG1 4.28Å; F336-F352 HydrophobicContact CB-CD1 4.46Å; F336-F352 HydrophobicContact CB-CE1 3.8Å; F336-F352 HydrophobicContact CB-CZ 4.32Å; F336-G358 PolarHBondContact N-O 3.19Å; F336-L359 HydrophobicContact CD1-CD1 4.01Å; F336-L360 PolarHBondContact O-N 3.24Å |
| 337 | V | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 113.5 | 178.7 | -170.8 | 0 | 0 | 0 | 0 | 109 | I297 G309 F310 E311 V314 V335 L360 | I297-V337 HydrophobicContact CD1-CG2 4.04Å; G309-V337 PolarHBondContact O-N 2.87Å; F310-V337 HydrophobicContact CD1-CB 3.78Å; F310-V337 HydrophobicContact CD1-CG1 3.85Å; F310-V337 HydrophobicContact CD1-CG2 4.09Å; F310-V337 HydrophobicContact CD2-CG2 4.43Å; F310-V337 HydrophobicContact CE1-CB 3.98Å; F310-V337 HydrophobicContact CE1-CG1 3.88Å; F310-V337 HydrophobicContact CE1-CG2 3.86Å; F310-V337 HydrophobicContact CE2-CG2 4.2Å; F310-V337 HydrophobicContact CG-CB 4.16Å; F310-V337 HydrophobicContact CG-CG2 4.37Å; F310-V337 HydrophobicContact CZ-CB 4.49Å; F310-V337 HydrophobicContact CZ-CG2 3.91Å; E311-V337 WeakPolarHBondContact CB-O 3.43Å; E311-V337 PolarHBondContact N-O 2.8Å; V314-V337 HydrophobicContact CG1-CG1 4.1Å; V335-V337 HydrophobicContact CG1-CG2 4.17Å; V337-L360 CarbonylContact C-O 3.49Å; V337-L360 VanDerWaalsContact CA-O 3.29Å; V337-L360 WeakPolarHBondContact CA-O 3.36Å; V337-L360 HydrophobicContact CB-CB 4.44Å; V337-L360 HydrophobicContact CG1-CB 4.12Å; V337-L360 HydrophobicContact CG1-CD2 3.82Å; V337-L360 HydrophobicContact CG1-CG 3.99Å; V337-L360 HydrophobicContact CG2-CB 4.14Å; V337-L360 HydrophobicContact CG2-CD2 4.31Å |
| 338 | C | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 169.3 | -174.8 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | E311 F336 L360 I361 G362 | E311-C338 HydrophobicContact CB-CB 4.16Å; F336-C338 HydrophobicContact CD1-CB 4.11Å; F336-C338 HydrophobicContact CE1-CB 3.47Å; F336-C338 VanDerWaalsContact CE1-CB 3.47Å; F336-C338 HydrophobicContact CE2-CB 4.36Å; F336-C338 HydrophobicContact CZ-CB 3.62Å; C338-L360 PolarHBondContact N-O 3.17Å; C338-I361 WeakPolarHBondContact O-CA 3.43Å; C338-G362 PolarHBondContact O-N 3.06Å |
| 339 | K | 94.2 | Very high | 94.5 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 153.5 | 171.2 | -77.5 | 151.6 | 164.4 | -137.1 | 0 | 111 | D281 E311 G313 V314 Y341 T342 G362 | D281-K339 HydrophobicContact CB-CG 4.27Å; D281-K339 IonicContact OD2-NZ 3.8Å; E311-K339 PolarHBondContact OE2-N 3.02Å; G313-K339 WeakPolarHBondContact O-CE 3.42Å; G313-K339 PolarHBondContact O-NZ 3.43Å; V314-K339 HydrophobicContact CG2-CD 3.97Å; V314-K339 HydrophobicContact CG2-CG 3.98Å; K339-Y341 HydrophobicContact CB-CD1 4.18Å; K339-Y341 HydrophobicContact CB-CD2 3.94Å; K339-Y341 HydrophobicContact CB-CE1 3.94Å; K339-Y341 HydrophobicContact CB-CE2 3.73Å; K339-Y341 HydrophobicContact CB-CG 4.18Å; K339-Y341 HydrophobicContact CD-CD2 4.41Å; K339-Y341 HydrophobicContact CD-CE2 3.5Å; K339-Y341 VanDerWaalsContact CD-CE2 3.5Å; K339-Y341 VanDerWaalsContact CD-OH 3.3Å; K339-Y341 WeakPolarHBondContact CD-OH 3.42Å; K339-Y341 WeakPolarHBondContact CE-OH 3.29Å; K339-Y341 HydrophobicContact CG-CE1 4.17Å; K339-Y341 HydrophobicContact CG-CE2 3.92Å; K339-Y341 PolarHBondContact NZ-OH 2.92Å; K339-Y341 PolarHBondContact O-N 2.93Å; K339-T342 WeakPolarHBondContact O-CB 3.39Å; K339-T342 PolarHBondContact O-N 2.77Å; K339-T342 VanDerWaalsContact O-N 3.1Å; K339-G362 CarbonylContact C-O 3.6Å; K339-G362 VanDerWaalsContact CA-O 3.23Å; K339-G362 WeakPolarHBondContact CA-O 3.4Å |
| 340 | A | 93.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -6.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I361 G362 F381 G383 L394 | A340-I361 HydrophobicContact CB-CG1 4.31Å; A340-G362 PolarHBondContact N-O 3.33Å; A340-F381 HydrophobicContact CB-CE1 4.04Å; A340-F381 HydrophobicContact CB-CZ 3.75Å; A340-G383 WeakPolarHBondContact O-CA 3.3Å; A340-G383 PolarHBondContact O-N 2.89Å; A340-L394 HydrophobicContact CB-CD1 3.7Å |
| 341 | Y | 92.4 | Very high | 94.6 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 31.8 | 177.6 | 45.7 | -93.8 | 0 | 0 | 0 | 111.1 | D281 K339 | D281-Y341 PolarHBondContact OD2-OH 2.72Å; K339-Y341 HydrophobicContact CB-CD1 4.18Å; K339-Y341 HydrophobicContact CB-CD2 3.94Å; K339-Y341 HydrophobicContact CB-CE1 3.94Å; K339-Y341 HydrophobicContact CB-CE2 3.73Å; K339-Y341 HydrophobicContact CB-CG 4.18Å; K339-Y341 HydrophobicContact CD-CD2 4.41Å; K339-Y341 HydrophobicContact CD-CE2 3.5Å; K339-Y341 VanDerWaalsContact CD-CE2 3.5Å; K339-Y341 VanDerWaalsContact CD-OH 3.3Å; K339-Y341 WeakPolarHBondContact CD-OH 3.42Å; K339-Y341 WeakPolarHBondContact CE-OH 3.29Å; K339-Y341 HydrophobicContact CG-CE1 4.17Å; K339-Y341 HydrophobicContact CG-CE2 3.92Å; K339-Y341 PolarHBondContact NZ-OH 2.92Å; K339-Y341 PolarHBondContact O-N 2.93Å |
| 342 | T | 91.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.043 | 22% | 0.218 | C | C | . | . | trans | -61.6 | 151.9 | 171.9 | -177 | 0 | 0 | 0 | 0 | 111.7 | E311 K339 V344 I349 I386 | E311-T342 VanDerWaalsContact OE1-CB 3.23Å; E311-T342 WeakPolarHBondContact OE1-CB 3.4Å; E311-T342 PolarHBondContact OE1-OG1 3.02Å; K339-T342 WeakPolarHBondContact O-CB 3.39Å; K339-T342 PolarHBondContact O-N 2.77Å; K339-T342 VanDerWaalsContact O-N 3.1Å; T342-V344 HydrophobicContact CG2-CB 4.48Å; T342-V344 WeakPolarHBondContact OG1-CG2 3.24Å; T342-V344 PolarHBondContact OG1-N 3.3Å; T342-V344 VanDerWaalsContact OG1-N 3.17Å; T342-I349 HydrophobicContact CG2-CD1 3.99Å; T342-I386 HydrophobicContact CG2-CD1 3.79Å | ||
| 343 | N | 90.6 | Very high | 95.1 | Very high | 166 Ų | 166 | 35 Ų | 35 | 89% | 0.888 | 18% | 0.18 | S | C | * | . | trans | -93.1 | -0.2 | 172.9 | -66.8 | -27.3 | 0 | 0 | 0 | 112.7 | ||||
| 344 | V | 94.9 | Very high | 95 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 19% | 0.194 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -69.6 | 135.6 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | F329 F336 T342 T348 I349 | F329-V344 HydrophobicContact CB-CG1 4.08Å; F329-V344 HydrophobicContact CB-CG2 3.79Å; F329-V344 HydrophobicContact CD1-CG1 4.27Å; F329-V344 HydrophobicContact CD2-CG1 4.43Å; F329-V344 HydrophobicContact CG-CG1 3.98Å; F336-V344 HydrophobicContact CZ-CG2 4.27Å; T342-V344 HydrophobicContact CG2-CB 4.48Å; T342-V344 WeakPolarHBondContact OG1-CG2 3.24Å; T342-V344 PolarHBondContact OG1-N 3.3Å; T342-V344 VanDerWaalsContact OG1-N 3.17Å; V344-T348 HydrophobicContact CG1-CG2 4.4Å; V344-I349 HydrophobicContact CB-CD1 3.93Å; V344-I349 HydrophobicContact CB-CG1 4.29Å; V344-I349 HydrophobicContact CG1-CD1 3.93Å; V344-I349 HydrophobicContact CG1-CG1 3.71Å |
| 345 | D | 95.4 | Very high | 94.8 | Very high | 79 Ų | 79 | 38.4 Ų | 38.4 | 42% | 0.422 | 20% | 0.195 | S | C | . | . | trans | -55.4 | 130 | 177.9 | 169.1 | 69.1 | 0 | 0 | 0 | 111.5 | E347 T348 I349 | D345-E347 VanDerWaalsContact C-N 3.33Å; D345-E347 PolarHBondContact O-N 3.11Å; D345-E347 WeakPolarHBondContact OD2-CB 3.4Å; D345-E347 PolarHBondContact OD2-N 2.89Å; D345-E347 VanDerWaalsContact OD2-N 3.13Å; D345-T348 WeakPolarHBondContact O-CB 3.48Å; D345-T348 PolarHBondContact O-N 3.39Å; D345-T348 PolarHBondContact OD2-N 3.24Å; D345-T348 PolarHBondContact OD2-OG1 2.99Å; D345-I349 PolarHBondContact O-N 3.32Å | ||
| 346 | P | 95.4 | Very high | 94.7 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 20% | 0.201 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.6 | -37.7 | -178.2 | -28.5 | 36.2 | 0 | 0 | 0 | 114.7 | T348 I349 Q350 K385 I386 | P346-T348 VanDerWaalsContact C-N 3.32Å; P346-T348 PolarHBondContact O-N 3.23Å; P346-I349 PolarHBondContact O-N 3.48Å; P346-Q350 WeakPolarHBondContact O-CB 3.22Å; P346-Q350 VanDerWaalsContact O-CG 3.23Å; P346-Q350 WeakPolarHBondContact O-CG 3.42Å; P346-Q350 PolarHBondContact O-N 2.92Å; P346-K385 HydrophobicContact CB-CB 4.15Å; P346-K385 HydrophobicContact CG-CB 3.83Å; P346-I386 HydrophobicContact CB-CG1 3.8Å; P346-I386 HydrophobicContact CG-CG1 4.18Å |
| 347 | E | 93.6 | Very high | 94.7 | Very high | 113 Ų | 113 | 39 Ų | 39 | 53% | 0.528 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.6 | -36.8 | 179.8 | -62.9 | -169.8 | 163.9 | 0 | 0 | 111.1 | D345 I349 Q350 N351 | D345-E347 VanDerWaalsContact C-N 3.33Å; D345-E347 PolarHBondContact O-N 3.11Å; D345-E347 WeakPolarHBondContact OD2-CB 3.4Å; D345-E347 PolarHBondContact OD2-N 2.89Å; D345-E347 VanDerWaalsContact OD2-N 3.13Å; E347-I349 PolarHBondContact O-N 3.09Å; E347-Q350 PolarHBondContact O-N 3.31Å; E347-N351 WeakPolarHBondContact O-CB 3.39Å; E347-N351 VanDerWaalsContact O-CG 3.25Å; E347-N351 PolarHBondContact O-N 3.28Å; E347-N351 PolarHBondContact O-ND2 3.09Å |
| 348 | T | 96.3 | Very high | 94.8 | Very high | 55 Ų | 55 | 39 Ų | 39 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -59.3 | -45.4 | 174.4 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | F329 V344 D345 P346 F352 | F329-T348 HydrophobicContact CD1-CG2 3.84Å; F329-T348 HydrophobicContact CE1-CG2 3.25Å; F329-T348 HydrophobicContact CZ-CG2 3.74Å; V344-T348 HydrophobicContact CG1-CG2 4.4Å; D345-T348 WeakPolarHBondContact O-CB 3.48Å; D345-T348 PolarHBondContact O-N 3.39Å; D345-T348 PolarHBondContact OD2-N 3.24Å; D345-T348 PolarHBondContact OD2-OG1 2.99Å; P346-T348 VanDerWaalsContact C-N 3.32Å; P346-T348 PolarHBondContact O-N 3.23Å; T348-F352 WeakPolarHBondContact O-CB 3.08Å; T348-F352 PolarHBondContact O-N 3.47Å; T348-F352 VanDerWaalsContact O-N 3.11Å |
| 349 | I | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67 | -41.7 | 175.3 | -67 | 172.1 | 0 | 0 | 0 | 110.9 | F336 T342 V344 D345 P346 E347 N351 F352 V353 L359 I386 | F336-I349 HydrophobicContact CE1-CD1 4.05Å; F336-I349 HydrophobicContact CE1-CG1 4.28Å; T342-I349 HydrophobicContact CG2-CD1 3.99Å; V344-I349 HydrophobicContact CB-CD1 3.93Å; V344-I349 HydrophobicContact CB-CG1 4.29Å; V344-I349 HydrophobicContact CG1-CD1 3.93Å; V344-I349 HydrophobicContact CG1-CG1 3.71Å; D345-I349 PolarHBondContact O-N 3.32Å; P346-I349 PolarHBondContact O-N 3.48Å; E347-I349 PolarHBondContact O-N 3.09Å; I349-N351 PolarHBondContact O-N 2.94Å; I349-F352 WeakPolarHBondContact O-CB 3.28Å; I349-F352 PolarHBondContact O-N 2.96Å; I349-V353 WeakPolarHBondContact O-CG2 3.43Å; I349-V353 PolarHBondContact O-N 2.52Å; I349-L359 HydrophobicContact CG2-CD1 3.92Å; I349-L359 HydrophobicContact CG2-CD2 3.6Å; I349-L359 HydrophobicContact CG2-CG 4.36Å; I349-I386 HydrophobicContact CB-CG2 4.43Å; I349-I386 HydrophobicContact CD1-CD1 3.67Å; I349-I386 HydrophobicContact CD1-CG1 4.31Å; I349-I386 HydrophobicContact CG2-CG2 3.81Å |
| 350 | Q | 95.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 178.1 | -75.6 | 162.5 | 2.5 | 0 | 0 | 111.5 | Y270 P346 E347 F352 V353 V354 K385 I386 M390 | Y270-Q350 HydrophobicContact CE1-CB 4.21Å; Y270-Q350 HydrophobicContact CE1-CG 4.49Å; P346-Q350 WeakPolarHBondContact O-CB 3.22Å; P346-Q350 VanDerWaalsContact O-CG 3.23Å; P346-Q350 WeakPolarHBondContact O-CG 3.42Å; P346-Q350 PolarHBondContact O-N 2.92Å; E347-Q350 PolarHBondContact O-N 3.31Å; Q350-F352 VanDerWaalsContact C-N 3.35Å; Q350-F352 PolarHBondContact O-N 2.79Å; Q350-V353 PolarHBondContact O-N 3.45Å; Q350-V354 VanDerWaalsContact O-CG2 3.3Å; Q350-V354 WeakPolarHBondContact O-CG2 3.42Å; Q350-V354 PolarHBondContact O-N 2.8Å; Q350-K385 PolarHBondContact NE2-O 3.4Å; Q350-I386 PolarHBondContact NE2-O 3.09Å; Q350-I386 VanDerWaalsContact NE2-O 3.13Å; Q350-M390 HydrophobicContact CB-CE 4.1Å; Q350-M390 HydrophobicContact CG-CE 3.53Å |
| 351 | N | 94.8 | Very high | 95.2 | Very high | 80 Ų | 80 | 37.2 Ų | 37.2 | 43% | 0.428 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.6 | -72.2 | -31.4 | 0 | 0 | 0 | 112 | E347 I349 V353 V354 E355 | E347-N351 WeakPolarHBondContact O-CB 3.39Å; E347-N351 VanDerWaalsContact O-CG 3.25Å; E347-N351 PolarHBondContact O-N 3.28Å; E347-N351 PolarHBondContact O-ND2 3.09Å; I349-N351 PolarHBondContact O-N 2.94Å; N351-V353 VanDerWaalsContact C-N 3.33Å; N351-V353 PolarHBondContact O-N 3.37Å; N351-V354 PolarHBondContact O-N 3.38Å; N351-E355 WeakPolarHBondContact O-CB 3.2Å; N351-E355 VanDerWaalsContact O-CG 3.32Å; N351-E355 WeakPolarHBondContact O-CG 3.39Å; N351-E355 PolarHBondContact O-N 3.31Å |
| 352 | F | 96.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 174.6 | 168 | -107.4 | 0 | 0 | 0 | 112.7 | F329 L333 F336 T348 I349 Q350 G357 G358 | F329-F352 HydrophobicContact CE2-CB 3.92Å; F329-F352 HydrophobicContact CE2-CD1 4.17Å; F329-F352 HydrophobicContact CE2-CD2 4.32Å; F329-F352 AromaticContact CE2-CG 3.87Å; F329-F352 HydrophobicContact CE2-CG 3.87Å; F329-F352 HydrophobicContact CZ-CB 3.8Å; F329-F352 HydrophobicContact CZ-CD2 4.39Å; F329-F352 HydrophobicContact CZ-CG 4.11Å; L333-F352 HydrophobicContact CB-CE2 4.44Å; L333-F352 HydrophobicContact CB-CZ 4.32Å; L333-F352 WeakPolarHBondContact O-CE2 3.45Å; L333-F352 WeakPolarHBondContact O-CZ 3.22Å; F336-F352 HydrophobicContact CB-CD1 4.46Å; F336-F352 HydrophobicContact CB-CE1 3.8Å; F336-F352 HydrophobicContact CB-CZ 4.32Å; T348-F352 WeakPolarHBondContact O-CB 3.08Å; T348-F352 PolarHBondContact O-N 3.47Å; T348-F352 VanDerWaalsContact O-N 3.11Å; I349-F352 WeakPolarHBondContact O-CB 3.28Å; I349-F352 PolarHBondContact O-N 2.96Å; Q350-F352 VanDerWaalsContact C-N 3.35Å; Q350-F352 PolarHBondContact O-N 2.79Å; F352-G357 VanDerWaalsContact CZ-CA 3.46Å; F352-G357 WeakPolarHBondContact O-CA 3.32Å; F352-G357 PolarHBondContact O-N 3.39Å; F352-G358 WeakPolarHBondContact CE1-O 3.42Å |
| 353 | V | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68 | -45.3 | 177 | -180 | 0 | 0 | 0 | 0 | 110.4 | Y270 G273 V275 I349 Q350 N351 E355 G356 L359 M390 | Y270-V353 HydrophobicContact CD1-CB 4.3Å; Y270-V353 HydrophobicContact CD1-CG1 4.13Å; G273-V353 WeakPolarHBondContact CA-O 3.17Å; G273-V353 PolarHBondContact N-O 3.18Å; V275-V353 HydrophobicContact CG2-CG1 3.6Å; V275-V353 HydrophobicContact CG2-CG2 4.26Å; I349-V353 WeakPolarHBondContact O-CG2 3.43Å; I349-V353 PolarHBondContact O-N 2.52Å; Q350-V353 PolarHBondContact O-N 3.45Å; N351-V353 VanDerWaalsContact C-N 3.33Å; N351-V353 PolarHBondContact O-N 3.37Å; V353-E355 PolarHBondContact O-N 3.01Å; V353-E355 VanDerWaalsContact O-N 3.17Å; V353-G356 PolarHBondContact O-N 3.24Å; V353-L359 HydrophobicContact CG2-CB 3.62Å; V353-L359 HydrophobicContact CG2-CD2 4.13Å; V353-L359 HydrophobicContact CG2-CG 4.48Å; V353-M390 HydrophobicContact CB-CE 4.14Å; V353-M390 HydrophobicContact CG2-CE 4.01Å |
| 354 | V | 94.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 5% | 0.048 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -54.3 | -40.1 | 179.2 | 169 | 0 | 0 | 0 | 0 | 111.8 | Y59 V186 Y270 R272 Q350 N351 G356 | Y59-V354 HydrophobicContact CD2-CG1 4.49Å; Y59-V354 HydrophobicContact CE2-CG1 3.67Å; V186-V354 HydrophobicContact CB-CG1 3.74Å; V186-V354 HydrophobicContact CG1-CG1 4.18Å; Y270-V354 HydrophobicContact CD1-CG2 3.49Å; Y270-V354 VanDerWaalsContact CD1-CG2 3.49Å; Y270-V354 HydrophobicContact CE1-CG2 3.15Å; Y270-V354 HydrophobicContact CG-CG2 4.42Å; R272-V354 PolarHBondContact N-O 2.93Å; Q350-V354 VanDerWaalsContact O-CG2 3.3Å; Q350-V354 WeakPolarHBondContact O-CG2 3.42Å; Q350-V354 PolarHBondContact O-N 2.8Å; N351-V354 PolarHBondContact O-N 3.38Å; V354-G356 PolarHBondContact O-N 3.08Å |
| 355 | E | 92.8 | Very high | 95.4 | Very high | 80 Ų | 80 | 24.6 Ų | 24.6 | 37% | 0.374 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -4.6 | -178.6 | -70.1 | 173.7 | -175.4 | 0 | 0 | 114.1 | K151 N351 V353 | K151-E355 IonicContact NZ-OE1 3.04Å; K151-E355 PolarHBondContact NZ-OE1 3.21Å; N351-E355 WeakPolarHBondContact O-CB 3.2Å; N351-E355 VanDerWaalsContact O-CG 3.32Å; N351-E355 WeakPolarHBondContact O-CG 3.39Å; N351-E355 PolarHBondContact O-N 3.31Å; V353-E355 PolarHBondContact O-N 3.01Å; V353-E355 VanDerWaalsContact O-N 3.17Å |
| 356 | G | 93.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 24 Ų | 24 | 9% | 0.093 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 123.7 | -5.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q302 R304 V353 V354 | Q302-G356 PolarHBondContact NE2-O 3.37Å; R304-G356 VanDerWaalsContact CZ-O 3.22Å; R304-G356 PolarHBondContact NH1-O 3.42Å; R304-G356 PolarHBondContact NH2-O 3.33Å; V353-G356 PolarHBondContact O-N 3.24Å; V354-G356 PolarHBondContact O-N 3.08Å |
| 357 | G | 96.7 | Very high | 95.1 | Very high | 6 Ų | 6 | 27 Ų | 27 | 6% | 0.062 | 13% | 0.134 | C | C | . | . | trans | -62.5 | 149.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G273 R274 F352 | G273-G357 VanDerWaalsContact CA-O 3.28Å; G273-G357 WeakPolarHBondContact CA-O 3.49Å; R274-G357 PolarHBondContact N-O 3.32Å; F352-G357 VanDerWaalsContact CZ-CA 3.46Å; F352-G357 WeakPolarHBondContact O-CA 3.32Å; F352-G357 PolarHBondContact O-N 3.39Å | ||
| 358 | G | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R274 S334 V335 F336 F352 | R274-G358 WeakPolarHBondContact O-CA 3.2Å; S334-G358 PolarHBondContact O-N 3.09Å; V335-G358 CarbonylContact C-O 3.5Å; V335-G358 VanDerWaalsContact CA-O 3.23Å; V335-G358 WeakPolarHBondContact CA-O 3.48Å; F336-G358 PolarHBondContact N-O 3.19Å; F352-G358 WeakPolarHBondContact CE1-O 3.42Å |
| 359 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.1 | 175.8 | 177.5 | 65.7 | 0 | 0 | 0 | 111.3 | R274 V275 I276 L300 F336 I349 V353 I361 I386 M390 | R274-L359 PolarHBondContact O-N 3.33Å; V275-L359 CarbonylContact C-O 3.56Å; V275-L359 VanDerWaalsContact CA-O 3.29Å; V275-L359 WeakPolarHBondContact CA-O 3.44Å; V275-L359 HydrophobicContact CB-CB 4.46Å; V275-L359 HydrophobicContact CG1-CB 4.13Å; V275-L359 HydrophobicContact CG1-CD2 3.9Å; V275-L359 HydrophobicContact CG1-CG 4.13Å; V275-L359 HydrophobicContact CG2-CB 4.2Å; V275-L359 HydrophobicContact CG2-CD2 4.48Å; I276-L359 PolarHBondContact N-O 3.04Å; L300-L359 WeakPolarHBondContact CD2-O 3.19Å; F336-L359 HydrophobicContact CD1-CD1 4.01Å; I349-L359 HydrophobicContact CG2-CD1 3.92Å; I349-L359 HydrophobicContact CG2-CD2 3.6Å; I349-L359 HydrophobicContact CG2-CG 4.36Å; V353-L359 HydrophobicContact CG2-CB 3.62Å; V353-L359 HydrophobicContact CG2-CD2 4.13Å; V353-L359 HydrophobicContact CG2-CG 4.48Å; L359-I361 HydrophobicContact CD1-CB 4.48Å; L359-I361 HydrophobicContact CD2-CG2 4.45Å; L359-I361 HydrophobicContact CG-CB 4.35Å; L359-I361 HydrophobicContact CG-CG2 4.48Å; L359-I386 HydrophobicContact CD2-CG2 3.97Å; L359-M390 HydrophobicContact CD2-CE 4.33Å; L359-M390 HydrophobicContact CD2-SD 4.27Å |
| 360 | L | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 112.2 | 164.2 | 175.8 | 59.6 | 0 | 0 | 0 | 109 | I276 W293 I297 L300 F336 V337 C338 | I276-L360 HydrophobicContact CB-CD1 3.92Å; I276-L360 HydrophobicContact CG2-CD1 3.69Å; I276-L360 WeakPolarHBondContact O-CA 3.34Å; W293-L360 HydrophobicContact CE3-CD1 4.44Å; W293-L360 HydrophobicContact CE3-CD2 4Å; W293-L360 HydrophobicContact CH2-CD1 4.46Å; W293-L360 HydrophobicContact CZ3-CD1 3.69Å; W293-L360 HydrophobicContact CZ3-CD2 4Å; I297-L360 HydrophobicContact CD1-CD2 4.09Å; L300-L360 HydrophobicContact CD1-CB 3.78Å; F336-L360 PolarHBondContact O-N 3.24Å; V337-L360 CarbonylContact C-O 3.49Å; V337-L360 VanDerWaalsContact CA-O 3.29Å; V337-L360 WeakPolarHBondContact CA-O 3.36Å; V337-L360 HydrophobicContact CB-CB 4.44Å; V337-L360 HydrophobicContact CG1-CB 4.12Å; V337-L360 HydrophobicContact CG1-CD2 3.82Å; V337-L360 HydrophobicContact CG1-CG 3.99Å; V337-L360 HydrophobicContact CG2-CB 4.14Å; V337-L360 HydrophobicContact CG2-CD2 4.31Å; C338-L360 PolarHBondContact N-O 3.17Å |
| 361 | I | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.7 | -178.3 | -173.4 | 170.9 | 0 | 0 | 0 | 110.5 | I276 V277 A278 C338 A340 L359 I386 L387 | I276-I361 PolarHBondContact O-N 3.43Å; V277-I361 WeakPolarHBondContact CA-O 3.33Å; V277-I361 HydrophobicContact CB-CG2 4.16Å; V277-I361 HydrophobicContact CG2-CG2 4.19Å; A278-I361 PolarHBondContact N-O 3.4Å; C338-I361 WeakPolarHBondContact O-CA 3.43Å; A340-I361 HydrophobicContact CB-CG1 4.31Å; L359-I361 HydrophobicContact CD1-CB 4.48Å; L359-I361 HydrophobicContact CD2-CG2 4.45Å; L359-I361 HydrophobicContact CG-CB 4.35Å; L359-I361 HydrophobicContact CG-CG2 4.48Å; I361-I386 HydrophobicContact CD1-CB 4.46Å; I361-I386 HydrophobicContact CD1-CD1 3.91Å; I361-I386 HydrophobicContact CD1-CG2 4.4Å; I361-L387 HydrophobicContact CD1-CG 4.45Å; I361-L387 HydrophobicContact CG2-CD1 4.29Å; I361-L387 HydrophobicContact CG2-CD2 3.61Å; I361-L387 HydrophobicContact CG2-CG 4.24Å |
| 362 | G | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 133.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A278 C338 K339 A340 | A278-G362 WeakPolarHBondContact O-CA 3.46Å; C338-G362 PolarHBondContact O-N 3.06Å; K339-G362 CarbonylContact C-O 3.6Å; K339-G362 VanDerWaalsContact CA-O 3.23Å; K339-G362 WeakPolarHBondContact CA-O 3.4Å; A340-G362 PolarHBondContact N-O 3.33Å |
| 363 | G | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 163.4 | -178.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | A278 T279 N280 | A278-G363 PolarHBondContact O-N 3.44Å; T279-G363 CarbonylContact C-O 3.55Å; T279-G363 VanDerWaalsContact CA-O 3.26Å; T279-G363 WeakPolarHBondContact CA-O 3.36Å; N280-G363 PolarHBondContact N-O 3.37Å | ||
| 364 | H | 92.9 | Very high | 91.2 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | trans | -138.2 | 138.6 | -173.7 | 54.8 | -85.3 | 0 | 0 | 0 | 110.7 | S243 D281 W366 | S243-H364 WeakPolarHBondContact OG-CA 3.21Å; S243-H364 WeakPolarHBondContact OG-CB 3.34Å; D281-H364 IonicContact OD1-CE1 2.79Å; D281-H364 IonicContact OD1-ND1 3.66Å; D281-H364 PolarHBondContact OD1-ND1 2.67Å; H364-W366 AromaticContact CD2-CD1 3.86Å; H364-W366 AromaticContact CD2-CE2 3.62Å; H364-W366 AromaticContact CD2-NE1 3.36Å; H364-W366 PolarHBondContact CD2-NE1 3.36Å; H364-W366 AromaticContact CG-NE1 3.73Å | ||
| 365 | A | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -93.7 | -20.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | S243 H367 W368 A369 F381 L394 | S243-A365 PolarHBondContact OG-N 3.15Å; A365-H367 PolarHBondContact O-N 3.18Å; A365-W368 PolarHBondContact O-N 3.48Å; A365-A369 PolarHBondContact O-N 3.33Å; A365-F381 HydrophobicContact CB-CD1 3.91Å; A365-F381 HydrophobicContact CB-CE1 3.87Å; A365-F381 HydrophobicContact CB-CZ 4.44Å; A365-L394 HydrophobicContact CB-CB 4.01Å |
| 366 | W | 92.4 | Very high | 90.7 | Very high | 67 Ų | 67 | 39.7 Ų | 39.7 | 25% | 0.254 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.6 | -44.6 | -176.5 | 70.3 | -101.8 | 0 | 0 | 0 | 112.8 | F241 H364 A369 T370 T396 T398 | F241-W366 HydrophobicContact CB-CZ2 4.1Å; F241-W366 PolarHBondContact O-NE1 3.45Å; H364-W366 AromaticContact CD2-CD1 3.86Å; H364-W366 AromaticContact CD2-CE2 3.62Å; H364-W366 AromaticContact CD2-NE1 3.36Å; H364-W366 PolarHBondContact CD2-NE1 3.36Å; H364-W366 AromaticContact CG-NE1 3.73Å; W366-A369 PolarHBondContact O-N 3.06Å; W366-T370 WeakPolarHBondContact O-CG2 3.23Å; W366-T370 PolarHBondContact O-N 2.77Å; W366-T396 WeakPolarHBondContact CB-O 3.33Å; W366-T398 HydrophobicContact CB-CG2 3.97Å; W366-T398 HydrophobicContact CD2-CG2 4.05Å; W366-T398 HydrophobicContact CG-CG2 3.63Å |
| 367 | H | 90.9 | Very high | 90.7 | Very high | 92 Ų | 92 | 39.9 Ų | 39.9 | 43% | 0.426 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69 | -43 | -178.4 | -177 | 58.6 | 0 | 0 | 0 | 111.1 | A365 A369 T370 T371 | A365-H367 PolarHBondContact O-N 3.18Å; H367-A369 VanDerWaalsContact C-N 3.29Å; H367-A369 PolarHBondContact O-N 3.24Å; H367-T370 PolarHBondContact O-N 2.98Å; H367-T370 VanDerWaalsContact O-N 3.08Å; H367-T370 PolarHBondContact O-OG1 3.48Å; H367-T371 PolarHBondContact O-N 2.86Å |
| 368 | W | 92.4 | Very high | 90.6 | Very high | 40 Ų | 40 | 40.1 Ų | 40.1 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -43.9 | 175.4 | -177.6 | 91.8 | 0 | 0 | 0 | 111.5 | A365 T370 T371 H372 Q375 P377 D380 F381 | A365-W368 PolarHBondContact O-N 3.48Å; W368-T370 VanDerWaalsContact C-N 3.26Å; W368-T370 PolarHBondContact O-N 3.44Å; W368-T371 PolarHBondContact O-N 3.01Å; W368-T371 VanDerWaalsContact O-N 3.11Å; W368-T371 PolarHBondContact O-OG1 3.16Å; W368-H372 AromaticContact CD1-CE1 3.72Å; W368-H372 AromaticContact CD1-ND1 3.7Å; W368-H372 HydrophobicContact CD2-CB 4.2Å; W368-H372 AromaticContact CD2-ND1 3.9Å; W368-H372 AromaticContact CE2-CD2 3.92Å; W368-H372 AromaticContact CE2-CG 3.6Å; W368-H372 AromaticContact CE2-ND1 3.67Å; W368-H372 HydrophobicContact CE3-CB 4.19Å; W368-H372 AromaticContact CG-ND1 3.93Å; W368-H372 HydrophobicContact CH2-CB 3.77Å; W368-H372 HydrophobicContact CZ2-CB 3.8Å; W368-H372 AromaticContact CZ2-CD2 3.84Å; W368-H372 AromaticContact CZ2-CG 3.7Å; W368-H372 HydrophobicContact CZ3-CB 3.97Å; W368-H372 AromaticContact NE1-CD2 3.94Å; W368-H372 AromaticContact NE1-CE1 3.49Å; W368-H372 PolarHBondContact NE1-CE1 3Å; W368-H372 AromaticContact NE1-CG 3.84Å; W368-H372 AromaticContact NE1-ND1 3.53Å; W368-H372 AromaticContact NE1-NE2 3.74Å; W368-H372 WeakPolarHBondContact O-CB 3.19Å; W368-H372 PolarHBondContact O-N 2.98Å; W368-H372 PolarHBondContact O-ND1 2.78Å; W368-Q375 HydrophobicContact CH2-CB 3.56Å; W368-Q375 HydrophobicContact CH2-CG 4.48Å; W368-Q375 HydrophobicContact CZ2-CB 4.4Å; W368-Q375 VanDerWaalsContact CZ2-OE1 3.27Å; W368-Q375 HydrophobicContact CZ3-CB 4.27Å; W368-P377 HydrophobicContact CE3-CB 4.31Å; W368-P377 HydrophobicContact CE3-CG 4.44Å; W368-P377 HydrophobicContact CZ3-CB 4.05Å; W368-P377 HydrophobicContact CZ3-CG 4.04Å; W368-D380 HydrophobicContact CH2-CB 3.65Å; W368-D380 HydrophobicContact CZ2-CB 4.12Å; W368-F381 HydrophobicContact CB-CD2 3.97Å; W368-F381 HydrophobicContact CB-CE2 4Å; W368-F381 AromaticContact CD1-CD2 3.78Å; W368-F381 HydrophobicContact CD2-CB 4.21Å; W368-F381 AromaticContact CD2-CD2 3.76Å; W368-F381 HydrophobicContact CD2-CD2 3.76Å; W368-F381 HydrophobicContact CD2-CG 4.35Å; W368-F381 HydrophobicContact CE3-CB 4.13Å; W368-F381 HydrophobicContact CE3-CD2 4.36Å; W368-F381 AromaticContact CG-CD2 3.54Å; W368-F381 HydrophobicContact CG-CD2 3.54Å; W368-F381 AromaticContact CG-CE2 3.97Å; W368-F381 HydrophobicContact CG-CE2 3.97Å; W368-F381 HydrophobicContact CG-CG 4.49Å; W368-F381 HydrophobicContact CZ3-CB 4.31Å |
| 369 | A | 90.1 | Very high | 90.3 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -28.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A365 W366 H367 T371 P377 T396 | A365-A369 PolarHBondContact O-N 3.33Å; W366-A369 PolarHBondContact O-N 3.06Å; H367-A369 VanDerWaalsContact C-N 3.29Å; H367-A369 PolarHBondContact O-N 3.24Å; A369-T371 VanDerWaalsContact C-N 3.32Å; A369-P377 HydrophobicContact CB-CG 3.92Å; A369-T396 HydrophobicContact CB-CG2 3.46Å; A369-T396 VanDerWaalsContact CB-CG2 3.46Å |
| 370 | T | 86.1 | Confident | 90 | Very high | 82 Ų | 82 | 45.8 Ų | 45.8 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -71.4 | -26.5 | 174.9 | 61.3 | 0 | 0 | 0 | 0 | 113.4 | W366 H367 W368 | W366-T370 WeakPolarHBondContact O-CG2 3.23Å; W366-T370 PolarHBondContact O-N 2.77Å; H367-T370 PolarHBondContact O-N 2.98Å; H367-T370 VanDerWaalsContact O-N 3.08Å; H367-T370 PolarHBondContact O-OG1 3.48Å; W368-T370 VanDerWaalsContact C-N 3.26Å; W368-T370 PolarHBondContact O-N 3.44Å |
| 371 | T | 86.8 | Confident | 89.9 | Confident | 87 Ų | 87 | 46 Ų | 46 | 53% | 0.534 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -95.8 | -14.7 | 178.2 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | H367 W368 A369 | H367-T371 PolarHBondContact O-N 2.86Å; W368-T371 PolarHBondContact O-N 3.01Å; W368-T371 VanDerWaalsContact O-N 3.11Å; W368-T371 PolarHBondContact O-OG1 3.16Å; A369-T371 VanDerWaalsContact C-N 3.32Å |
| 372 | H | 85.6 | Confident | 89.8 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 30% | 0.296 | 26% | 0.257 | S | S | . | . | trans | -123.2 | 54.1 | -178 | -59.2 | 74.3 | 0 | 0 | 0 | 111.6 | W368 S374 Q375 | W368-H372 AromaticContact CD1-CE1 3.72Å; W368-H372 AromaticContact CD1-ND1 3.7Å; W368-H372 HydrophobicContact CD2-CB 4.2Å; W368-H372 AromaticContact CD2-ND1 3.9Å; W368-H372 AromaticContact CE2-CD2 3.92Å; W368-H372 AromaticContact CE2-CG 3.6Å; W368-H372 AromaticContact CE2-ND1 3.67Å; W368-H372 HydrophobicContact CE3-CB 4.19Å; W368-H372 AromaticContact CG-ND1 3.93Å; W368-H372 HydrophobicContact CH2-CB 3.77Å; W368-H372 HydrophobicContact CZ2-CB 3.8Å; W368-H372 AromaticContact CZ2-CD2 3.84Å; W368-H372 AromaticContact CZ2-CG 3.7Å; W368-H372 HydrophobicContact CZ3-CB 3.97Å; W368-H372 AromaticContact NE1-CD2 3.94Å; W368-H372 AromaticContact NE1-CE1 3.49Å; W368-H372 PolarHBondContact NE1-CE1 3Å; W368-H372 AromaticContact NE1-CG 3.84Å; W368-H372 AromaticContact NE1-ND1 3.53Å; W368-H372 AromaticContact NE1-NE2 3.74Å; W368-H372 WeakPolarHBondContact O-CB 3.19Å; W368-H372 PolarHBondContact O-N 2.98Å; W368-H372 PolarHBondContact O-ND1 2.78Å; H372-S374 PolarHBondContact O-N 2.9Å; H372-Q375 HydrophobicContact CB-CB 4.18Å; H372-Q375 HydrophobicContact CB-CG 4.33Å; H372-Q375 PolarHBondContact O-N 2.82Å | ||
| 373 | I | 74.8 | Confident | 89.9 | Confident | 136 Ų | 136 | 48.2 Ų | 48.2 | 70% | 0.697 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.1 | -168.5 | -62.8 | 169.8 | 0 | 0 | 0 | 114.2 | ||
| 374 | S | 73.8 | Confident | 90 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 53% | 0.531 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -3.7 | -179.4 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | H372 | H372-S374 PolarHBondContact O-N 2.9Š|
| 375 | Q | 86.3 | Confident | 90.1 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -102.3 | 156 | -176.2 | -62.9 | -174 | 22.9 | 0 | 0 | 111.1 | W368 H372 P377 D380 | W368-Q375 HydrophobicContact CH2-CB 3.56Å; W368-Q375 HydrophobicContact CH2-CG 4.48Å; W368-Q375 HydrophobicContact CZ2-CB 4.4Å; W368-Q375 VanDerWaalsContact CZ2-OE1 3.27Å; W368-Q375 HydrophobicContact CZ3-CB 4.27Å; H372-Q375 HydrophobicContact CB-CB 4.18Å; H372-Q375 HydrophobicContact CB-CG 4.33Å; H372-Q375 PolarHBondContact O-N 2.82Å; Q375-P377 WeakPolarHBondContact O-CD 3.23Å; Q375-D380 HydrophobicContact CB-CB 4.05Å; Q375-D380 WeakPolarHBondContact CB-OD2 3.37Å |
| 376 | N | 91.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | trans | -91.2 | 109.1 | 179.5 | -179.7 | -5 | 0 | 0 | 0 | 110.1 | M378 Q379 D380 R454 | N376-M378 PolarHBondContact O-N 3.41Å; N376-M378 PolarHBondContact OD1-N 3.33Å; N376-Q379 HydrophobicContact CB-CB 4.38Å; N376-Q379 PolarHBondContact O-N 2.89Å; N376-D380 PolarHBondContact N-OD2 3.43Å; N376-D380 WeakPolarHBondContact O-CB 3.32Å; N376-D380 PolarHBondContact O-N 2.89Å; N376-R454 PolarHBondContact ND2-O 3.1Å | ||
| 377 | P | 93.3 | Very high | 90.4 | Very high | 14 Ų | 14 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.6 | -177.3 | -21.7 | 33.2 | 0 | 0 | 0 | 114.1 | W368 A369 Q375 Q379 F381 N384 T396 | W368-P377 HydrophobicContact CE3-CB 4.31Å; W368-P377 HydrophobicContact CE3-CG 4.44Å; W368-P377 HydrophobicContact CZ3-CB 4.05Å; W368-P377 HydrophobicContact CZ3-CG 4.04Å; A369-P377 HydrophobicContact CB-CG 3.92Å; Q375-P377 WeakPolarHBondContact O-CD 3.23Å; P377-Q379 VanDerWaalsContact C-N 3.31Å; P377-F381 WeakPolarHBondContact O-CB 3.28Å; P377-N384 PolarHBondContact O-ND2 3.09Å; P377-T396 HydrophobicContact CB-CG2 3.81Å; P377-T396 HydrophobicContact CG-CG2 3.58Å |
| 378 | M | 94.5 | Very high | 90.5 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -16.5 | 179.5 | -64.3 | -56.6 | -56.7 | 0 | 0 | 113.1 | L246 N376 L395 S451 R454 M455 | L246-M378 HydrophobicContact CD2-CE 3.92Å; N376-M378 PolarHBondContact O-N 3.41Å; N376-M378 PolarHBondContact OD1-N 3.33Å; M378-L395 HydrophobicContact SD-CD2 3.98Å; M378-S451 WeakPolarHBondContact CG-O 3.28Å; M378-R454 HydrophobicContact CB-CB 4.14Å; M378-R454 HydrophobicContact CG-CB 4Å; M378-M455 HydrophobicContact CB-CG 4.12Å; M378-M455 HydrophobicContact CE-CG 3.7Å; M378-M455 HydrophobicContact CE-SD 4.24Å |
| 379 | Q | 92.1 | Very high | 90.5 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 30% | 0.304 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -43.7 | 178.8 | -71.7 | -173.9 | -10.6 | 0 | 0 | 113.1 | N376 P377 K385 M455 E456 | N376-Q379 HydrophobicContact CB-CB 4.38Å; N376-Q379 PolarHBondContact O-N 2.89Å; P377-Q379 VanDerWaalsContact C-N 3.31Å; Q379-K385 WeakPolarHBondContact O-CE 3.43Å; Q379-K385 WeakPolarHBondContact O-CG 3.45Å; Q379-M455 WeakPolarHBondContact CG-O 3.41Å; Q379-M455 PolarHBondContact NE2-O 3.35Å; Q379-E456 VanDerWaalsContact NE2-CG 3.31Å; Q379-E456 PolarHBondContact NE2-OE2 2.94Å |
| 380 | D | 92.8 | Very high | 90.6 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -28.4 | -166.6 | -65.6 | -45.9 | 0 | 0 | 0 | 112.8 | W368 Q375 N376 S382 K385 | W368-D380 HydrophobicContact CH2-CB 3.65Å; W368-D380 HydrophobicContact CZ2-CB 4.12Å; Q375-D380 HydrophobicContact CB-CB 4.05Å; Q375-D380 WeakPolarHBondContact CB-OD2 3.37Å; N376-D380 PolarHBondContact N-OD2 3.43Å; N376-D380 WeakPolarHBondContact O-CB 3.32Å; N376-D380 PolarHBondContact O-N 2.89Å; D380-S382 PolarHBondContact O-N 2.92Å; D380-K385 WeakPolarHBondContact O-CE 3.35Å; D380-K385 PolarHBondContact O-NZ 3.25Å |
| 381 | F | 94.6 | Very high | 91 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -69.7 | 124 | 178.3 | -179.5 | -125.7 | 0 | 0 | 0 | 111.2 | A340 A365 W368 P377 G383 N384 K385 L394 | A340-F381 HydrophobicContact CB-CE1 4.04Å; A340-F381 HydrophobicContact CB-CZ 3.75Å; A365-F381 HydrophobicContact CB-CD1 3.91Å; A365-F381 HydrophobicContact CB-CE1 3.87Å; A365-F381 HydrophobicContact CB-CZ 4.44Å; W368-F381 HydrophobicContact CB-CD2 3.97Å; W368-F381 HydrophobicContact CB-CE2 4Å; W368-F381 AromaticContact CD1-CD2 3.78Å; W368-F381 HydrophobicContact CD2-CB 4.21Å; W368-F381 AromaticContact CD2-CD2 3.76Å; W368-F381 HydrophobicContact CD2-CD2 3.76Å; W368-F381 HydrophobicContact CD2-CG 4.35Å; W368-F381 HydrophobicContact CE3-CB 4.13Å; W368-F381 HydrophobicContact CE3-CD2 4.36Å; W368-F381 AromaticContact CG-CD2 3.54Å; W368-F381 HydrophobicContact CG-CD2 3.54Å; W368-F381 AromaticContact CG-CE2 3.97Å; W368-F381 HydrophobicContact CG-CE2 3.97Å; W368-F381 HydrophobicContact CG-CG 4.49Å; W368-F381 HydrophobicContact CZ3-CB 4.31Å; P377-F381 WeakPolarHBondContact O-CB 3.28Å; F381-G383 PolarHBondContact O-N 3.15Å; F381-G383 VanDerWaalsContact O-N 3.11Å; F381-N384 HydrophobicContact CD1-CB 4.38Å; F381-N384 PolarHBondContact O-N 3.37Å; F381-K385 PolarHBondContact O-N 2.86Å; F381-K385 VanDerWaalsContact O-N 3.1Å; F381-L394 HydrophobicContact CE1-CB 4.26Å; F381-L394 HydrophobicContact CE1-CD1 3.88Å |
| 382 | S | 93.8 | Very high | 91.4 | Very high | 47 Ų | 47 | 38 Ų | 38 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -51.7 | -40 | -175.1 | -53.2 | 0 | 0 | 0 | 0 | 113.8 | D380 N384 K385 I386 | D380-S382 PolarHBondContact O-N 2.92Å; S382-N384 VanDerWaalsContact C-N 3.32Å; S382-N384 PolarHBondContact O-N 2.77Å; S382-K385 WeakPolarHBondContact O-CB 3.47Å; S382-K385 PolarHBondContact O-N 3.04Å; S382-I386 PolarHBondContact O-N 3.44Å |
| 383 | G | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A340 F381 I386 L387 | A340-G383 WeakPolarHBondContact O-CA 3.3Å; A340-G383 PolarHBondContact O-N 2.89Å; F381-G383 PolarHBondContact O-N 3.15Å; F381-G383 VanDerWaalsContact O-N 3.11Å; G383-I386 PolarHBondContact O-N 2.89Å; G383-L387 WeakPolarHBondContact O-CB 3.3Å; G383-L387 VanDerWaalsContact O-CG 3.23Å; G383-L387 WeakPolarHBondContact O-CG 3.48Å; G383-L387 PolarHBondContact O-N 2.87Å |
| 384 | N | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -76.7 | -29 | 178.1 | -72.3 | -15.9 | 0 | 0 | 0 | 112.2 | P377 F381 S382 I386 L387 S388 G393 L394 | P377-N384 PolarHBondContact O-ND2 3.09Å; F381-N384 HydrophobicContact CD1-CB 4.38Å; F381-N384 PolarHBondContact O-N 3.37Å; S382-N384 VanDerWaalsContact C-N 3.32Å; S382-N384 PolarHBondContact O-N 2.77Å; N384-I386 PolarHBondContact O-N 3.19Å; N384-L387 PolarHBondContact O-N 3.06Å; N384-S388 WeakPolarHBondContact O-CB 3.29Å; N384-S388 PolarHBondContact O-N 2.91Å; N384-S388 PolarHBondContact O-OG 2.79Å; N384-G393 WeakPolarHBondContact OD1-CA 3.42Å; N384-L394 PolarHBondContact ND2-O 3.13Å; N384-L394 PolarHBondContact OD1-N 3Å |
| 385 | K | 95.1 | Very high | 94 | Very high | 100 Ų | 100 | 25.1 Ų | 25.1 | 44% | 0.435 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -58.3 | -33.9 | 169 | -66.1 | 179.8 | 177.8 | 172.1 | 0 | 112.3 | P346 Q350 Q379 D380 F381 S382 | P346-K385 HydrophobicContact CB-CB 4.15Å; P346-K385 HydrophobicContact CG-CB 3.83Å; Q350-K385 PolarHBondContact NE2-O 3.4Å; Q379-K385 WeakPolarHBondContact O-CE 3.43Å; Q379-K385 WeakPolarHBondContact O-CG 3.45Å; D380-K385 WeakPolarHBondContact O-CE 3.35Å; D380-K385 PolarHBondContact O-NZ 3.25Å; F381-K385 PolarHBondContact O-N 2.86Å; F381-K385 VanDerWaalsContact O-N 3.1Å; S382-K385 WeakPolarHBondContact O-CB 3.47Å; S382-K385 PolarHBondContact O-N 3.04Å |
| 386 | I | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -77.4 | -54.7 | 175 | -61.5 | 161.9 | 0 | 0 | 0 | 110.5 | T342 P346 I349 Q350 L359 I361 S382 G383 N384 M390 | T342-I386 HydrophobicContact CG2-CD1 3.79Å; P346-I386 HydrophobicContact CB-CG1 3.8Å; P346-I386 HydrophobicContact CG-CG1 4.18Å; I349-I386 HydrophobicContact CB-CG2 4.43Å; I349-I386 HydrophobicContact CD1-CD1 3.67Å; I349-I386 HydrophobicContact CD1-CG1 4.31Å; I349-I386 HydrophobicContact CG2-CG2 3.81Å; Q350-I386 PolarHBondContact NE2-O 3.09Å; Q350-I386 VanDerWaalsContact NE2-O 3.13Å; L359-I386 HydrophobicContact CD2-CG2 3.97Å; I361-I386 HydrophobicContact CD1-CB 4.46Å; I361-I386 HydrophobicContact CD1-CD1 3.91Å; I361-I386 HydrophobicContact CD1-CG2 4.4Å; S382-I386 PolarHBondContact O-N 3.44Å; G383-I386 PolarHBondContact O-N 2.89Å; N384-I386 PolarHBondContact O-N 3.19Å; I386-M390 HydrophobicContact CG2-CE 4.09Å; I386-M390 HydrophobicContact CG2-SD 4.47Å |
| 387 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -75.4 | -35.7 | -165.7 | -71.4 | 170.6 | 0 | 0 | 0 | 114.4 | V275 V277 I361 G383 N384 K389 M390 G391 L392 L394 | V275-L387 HydrophobicContact CG1-CD2 4.21Å; V277-L387 HydrophobicContact CB-CD1 4.37Å; V277-L387 HydrophobicContact CB-CD2 4.26Å; V277-L387 HydrophobicContact CG2-CD1 3.75Å; V277-L387 HydrophobicContact CG2-CD2 4.5Å; I361-L387 HydrophobicContact CD1-CG 4.45Å; I361-L387 HydrophobicContact CG2-CD1 4.29Å; I361-L387 HydrophobicContact CG2-CD2 3.61Å; I361-L387 HydrophobicContact CG2-CG 4.24Å; G383-L387 WeakPolarHBondContact O-CB 3.3Å; G383-L387 VanDerWaalsContact O-CG 3.23Å; G383-L387 WeakPolarHBondContact O-CG 3.48Å; G383-L387 PolarHBondContact O-N 2.87Å; N384-L387 PolarHBondContact O-N 3.06Å; L387-K389 VanDerWaalsContact C-N 3.33Å; L387-K389 PolarHBondContact O-N 3.48Å; L387-M390 CarbonylContact O-C 3.49Å; L387-M390 WeakPolarHBondContact O-CA 3.43Å; L387-M390 WeakPolarHBondContact O-CB 3.35Å; L387-M390 PolarHBondContact O-N 3.09Å; L387-G391 PolarHBondContact O-N 3Å; L387-L392 CarbonylContact C-O 3.57Å; L387-L392 HydrophobicContact CB-CB 4.1Å; L387-L392 VanDerWaalsContact CB-O 3.25Å; L387-L392 WeakPolarHBondContact CB-O 3.36Å; L387-L392 HydrophobicContact CD2-CB 4.03Å; L387-L392 HydrophobicContact CD2-CD1 4.21Å; L387-L392 PolarHBondContact O-N 3.02Å; L387-L394 HydrophobicContact CD1-CD1 4.22Å; L387-L394 HydrophobicContact CD1-CG 4.04Å |
| 388 | S | 93.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 15% | 0.147 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -58.8 | -40.2 | -170.6 | -73.6 | 0 | 0 | 0 | 0 | 113 | H248 N384 M390 G391 L392 | H248-S388 PolarHBondContact CE1-O 3.3Å; H248-S388 VanDerWaalsContact CE1-O 3.3Å; H248-S388 PolarHBondContact NE2-O 3.36Å; N384-S388 WeakPolarHBondContact O-CB 3.29Å; N384-S388 PolarHBondContact O-N 2.91Å; N384-S388 PolarHBondContact O-OG 2.79Å; S388-M390 PolarHBondContact O-N 2.84Å; S388-G391 PolarHBondContact O-N 3.15Å; S388-L392 VanDerWaalsContact CA-O 3.25Å; S388-L392 WeakPolarHBondContact CA-O 3.33Å; S388-L392 PolarHBondContact N-O 3.2Å; S388-L392 VanDerWaalsContact N-O 3.13Å |
| 389 | K | 90.9 | Very high | 94.1 | Very high | 81 Ų | 81 | 27.9 Ų | 27.9 | 35% | 0.352 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -67 | -24.9 | 175.6 | -73.6 | -166.4 | -177.8 | 176.7 | 0 | 113.2 | Y270 L387 G391 | Y270-K389 WeakPolarHBondContact CE2-O 3.45Å; L387-K389 VanDerWaalsContact C-N 3.33Å; L387-K389 PolarHBondContact O-N 3.48Å; K389-G391 VanDerWaalsContact C-N 3.33Å |
| 390 | M | 93.1 | Very high | 94 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -89.2 | -0.8 | -179.5 | -52.2 | 177.2 | 176.1 | 0 | 0 | 112.5 | T268 Y270 V275 Q350 V353 L359 I386 L387 S388 | T268-M390 HydrophobicContact CG2-CB 4.07Å; T268-M390 VanDerWaalsContact CG2-O 3.3Å; T268-M390 WeakPolarHBondContact CG2-O 3.46Å; T268-M390 PolarHBondContact OG1-O 3.31Å; Y270-M390 HydrophobicContact CD1-CE 4Å; Y270-M390 HydrophobicContact CD1-CG 3.75Å; Y270-M390 HydrophobicContact CD1-SD 4.38Å; Y270-M390 HydrophobicContact CD2-CB 4.22Å; Y270-M390 HydrophobicContact CD2-CG 4.06Å; Y270-M390 HydrophobicContact CE1-CE 4.23Å; Y270-M390 HydrophobicContact CE1-CG 4.08Å; Y270-M390 HydrophobicContact CE2-CG 4.41Å; Y270-M390 HydrophobicContact CG-CB 4.16Å; Y270-M390 HydrophobicContact CG-CG 3.74Å; V275-M390 HydrophobicContact CG1-SD 4.33Å; V275-M390 HydrophobicContact CG2-SD 3.62Å; Q350-M390 HydrophobicContact CB-CE 4.1Å; Q350-M390 HydrophobicContact CG-CE 3.53Å; V353-M390 HydrophobicContact CB-CE 4.14Å; V353-M390 HydrophobicContact CG2-CE 4.01Å; L359-M390 HydrophobicContact CD2-CE 4.33Å; L359-M390 HydrophobicContact CD2-SD 4.27Å; I386-M390 HydrophobicContact CG2-CE 4.09Å; I386-M390 HydrophobicContact CG2-SD 4.47Å; L387-M390 CarbonylContact O-C 3.49Å; L387-M390 WeakPolarHBondContact O-CA 3.43Å; L387-M390 WeakPolarHBondContact O-CB 3.35Å; L387-M390 PolarHBondContact O-N 3.09Å; S388-M390 PolarHBondContact O-N 2.84Å |
| 391 | G | 93.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | 16.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | H248 G249 A252 L387 S388 K389 | H248-G391 VanDerWaalsContact CD2-C 3.41Å; H248-G391 PolarHBondContact CD2-O 2.87Å; H248-G391 VanDerWaalsContact CE1-CA 3.48Å; H248-G391 WeakPolarHBondContact CE1-CA 3.47Å; H248-G391 PolarHBondContact N-O 2.99Å; H248-G391 VanDerWaalsContact NE2-C 3.26Å; G249-G391 VanDerWaalsContact CA-CA 3.5Å; G249-G391 PolarHBondContact N-O 3.12Å; A252-G391 WeakPolarHBondContact CB-O 3.35Å; L387-G391 PolarHBondContact O-N 3Å; S388-G391 PolarHBondContact O-N 3.15Å; K389-G391 VanDerWaalsContact C-N 3.33Å |
| 392 | L | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 158.7 | -178.6 | -67.5 | 176.4 | 0 | 0 | 0 | 110.7 | L246 V247 H248 A252 A266 T268 V275 V277 L387 S388 | L246-L392 CarbonylContact O-C 3.52Å; L246-L392 WeakPolarHBondContact O-CA 3.15Å; V247-L392 HydrophobicContact CB-CD2 4.25Å; V247-L392 HydrophobicContact CG1-CD2 3.79Å; V247-L392 HydrophobicContact CG2-CD2 4.21Å; H248-L392 PolarHBondContact NE2-N 3.04Å; A252-L392 HydrophobicContact CB-CD2 3.9Å; A252-L392 HydrophobicContact CB-CG 4.38Å; A266-L392 HydrophobicContact CB-CD2 3.76Å; T268-L392 HydrophobicContact CG2-CD1 3.46Å; T268-L392 VanDerWaalsContact CG2-CD1 3.46Å; T268-L392 HydrophobicContact CG2-CG 3.85Å; V275-L392 HydrophobicContact CG1-CD1 4.32Å; V277-L392 HydrophobicContact CB-CD1 4.32Å; V277-L392 HydrophobicContact CG1-CD1 3.89Å; V277-L392 HydrophobicContact CG1-CD2 4.4Å; L387-L392 CarbonylContact C-O 3.57Å; L387-L392 HydrophobicContact CB-CB 4.1Å; L387-L392 VanDerWaalsContact CB-O 3.25Å; L387-L392 WeakPolarHBondContact CB-O 3.36Å; L387-L392 HydrophobicContact CD2-CB 4.03Å; L387-L392 HydrophobicContact CD2-CD1 4.21Å; L387-L392 PolarHBondContact O-N 3.02Å; S388-L392 VanDerWaalsContact CA-O 3.25Å; S388-L392 WeakPolarHBondContact CA-O 3.33Å; S388-L392 PolarHBondContact N-O 3.2Å; S388-L392 VanDerWaalsContact N-O 3.13Å |
| 393 | G | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 154.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A245 L246 N384 | A245-G393 CarbonylContact C-O 3.59Å; A245-G393 VanDerWaalsContact CA-O 3.27Å; A245-G393 WeakPolarHBondContact CA-O 3.16Å; L246-G393 PolarHBondContact N-O 3.46Å; L246-G393 PolarHBondContact O-N 3.29Å; N384-G393 WeakPolarHBondContact OD1-CA 3.42Å |
| 394 | L | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124 | 173.1 | -70.4 | 172 | 0 | 0 | 0 | 109.7 | V277 T279 A340 A365 F381 N384 L387 | V277-L394 HydrophobicContact CG2-CD1 4.44Å; V277-L394 HydrophobicContact CG2-CD2 3.77Å; V277-L394 HydrophobicContact CG2-CG 4.13Å; T279-L394 HydrophobicContact CG2-CD2 3.7Å; A340-L394 HydrophobicContact CB-CD1 3.7Å; A365-L394 HydrophobicContact CB-CB 4.01Å; F381-L394 HydrophobicContact CE1-CB 4.26Å; F381-L394 HydrophobicContact CE1-CD1 3.88Å; N384-L394 PolarHBondContact ND2-O 3.13Å; N384-L394 PolarHBondContact OD1-N 3Å; L387-L394 HydrophobicContact CD1-CD1 4.22Å; L387-L394 HydrophobicContact CD1-CG 4.04Å |
| 395 | L | 95.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 162.4 | -177.1 | -63.4 | -173.3 | 0 | 0 | 0 | 112.1 | S243 A244 L246 M378 S451 | S243-L395 WeakPolarHBondContact CB-O 3.39Å; S243-L395 PolarHBondContact OG-O 2.9Å; A244-L395 HydrophobicContact CB-CB 4.15Å; A244-L395 HydrophobicContact CB-CD1 4.02Å; A244-L395 HydrophobicContact CB-CG 4.5Å; A244-L395 VanDerWaalsContact O-CB 3.3Å; A244-L395 WeakPolarHBondContact O-CB 3.32Å; A244-L395 PolarHBondContact O-N 3.49Å; L246-L395 HydrophobicContact CB-CD1 4.24Å; L246-L395 HydrophobicContact CB-CD2 3.78Å; L246-L395 HydrophobicContact CB-CG 3.99Å; M378-L395 HydrophobicContact SD-CD2 3.98Å; L395-S451 VanDerWaalsContact CD2-CB 3.42Å; L395-S451 WeakPolarHBondContact CD2-OG 3.42Å |
| 396 | T | 93 | Very high | 93.5 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 31% | 0.307 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -13.4 | 177.1 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | W366 A369 P377 | W366-T396 WeakPolarHBondContact CB-O 3.33Å; A369-T396 HydrophobicContact CB-CG2 3.46Å; A369-T396 VanDerWaalsContact CB-CG2 3.46Å; P377-T396 HydrophobicContact CB-CG2 3.81Å; P377-T396 HydrophobicContact CG-CG2 3.58Å |
| 397 | Q | 91.1 | Very high | 93.2 | Very high | 67 Ų | 67 | 40.7 Ų | 40.7 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 135.2 | 173.7 | -66.2 | 81.5 | -12.5 | 0 | 0 | 109.6 | S243 A244 S447 | S243-Q397 CarbonylContact C-O 3.56Å; S243-Q397 VanDerWaalsContact CA-O 3.3Å; S243-Q397 WeakPolarHBondContact CA-O 3.22Å; A244-Q397 PolarHBondContact N-O 3.38Å; Q397-S447 PolarHBondContact NE2-OG 3.15Å |
| 398 | T | 91.9 | Very high | 92.8 | Very high | 76 Ų | 76 | 44.9 Ų | 44.9 | 47% | 0.466 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 143.5 | 174.7 | 53.2 | 0 | 0 | 0 | 0 | 111 | P242 W366 | P242-T398 CarbonylContact O-C 3.42Å; P242-T398 VanDerWaalsContact O-CA 3.28Å; P242-T398 WeakPolarHBondContact O-CA 3.5Å; W366-T398 HydrophobicContact CB-CG2 3.97Å; W366-T398 HydrophobicContact CD2-CG2 4.05Å; W366-T398 HydrophobicContact CG-CG2 3.63Å |
| 399 | I | 91.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -91.1 | 140.1 | 172.3 | -77.5 | 177.3 | 0 | 0 | 0 | 109.6 | I236 P242 S243 A244 T258 E262 A263 F264 K401 | I236-I399 HydrophobicContact CD1-CG2 4.04Å; P242-I399 HydrophobicContact CB-CB 4.37Å; P242-I399 HydrophobicContact CG-CB 3.91Å; P242-I399 HydrophobicContact CG-CG2 4.06Å; P242-I399 PolarHBondContact O-N 3.23Å; S243-I399 WeakPolarHBondContact O-CD1 3.43Å; A244-I399 HydrophobicContact CB-CD1 3.98Å; A244-I399 HydrophobicContact CB-CG1 4.03Å; T258-I399 HydrophobicContact CG2-CD1 4.47Å; T258-I399 HydrophobicContact CG2-CG2 3.47Å; T258-I399 VanDerWaalsContact CG2-CG2 3.47Å; E262-I399 HydrophobicContact CB-CD1 3.9Å; E262-I399 HydrophobicContact CB-CG1 4.1Å; A263-I399 VanDerWaalsContact O-CD1 3.28Å; A263-I399 WeakPolarHBondContact O-CD1 3.12Å; F264-I399 HydrophobicContact CB-CD1 3.75Å; I399-K401 PolarHBondContact O-N 2.78Å |
| 400 | K | 91 | Very high | 92.3 | Very high | 165 Ų | 165 | 44.3 Ų | 44.3 | 72% | 0.717 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -62.5 | 133.9 | 175 | -172.7 | 178.9 | 178.3 | -176.4 | 0 | 109.7 | Y404 | K400-Y404 PolarHBondContact O-OH 3.39Š|
| 401 | K | 90.5 | Very high | 91.6 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -68 | 136.6 | 172.3 | -63.5 | -174.3 | -175.8 | -164.2 | 0 | 109.9 | G238 N239 G240 F241 I399 | G238-K401 PolarHBondContact O-NZ 2.8Å; N239-K401 PolarHBondContact O-NZ 3.37Å; N239-K401 VanDerWaalsContact O-NZ 3.16Å; G240-K401 WeakPolarHBondContact O-CE 3.41Å; G240-K401 PolarHBondContact O-NZ 3.47Å; F241-K401 HydrophobicContact CD1-CD 4.36Å; F241-K401 VanDerWaalsContact CD1-CE 3.43Å; F241-K401 HydrophobicContact CD1-CG 4.39Å; F241-K401 HydrophobicContact CE1-CD 4.2Å; F241-K401 VanDerWaalsContact CE1-CE 3.46Å; I399-K401 PolarHBondContact O-N 2.78Å |
| 402 | G | 92.2 | Very high | 90.7 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | trans | -175.4 | -178.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I236 | I236-G402 VanDerWaalsContact CG1-O 3.24Å; I236-G402 WeakPolarHBondContact CG1-O 3.44Å; I236-G402 PolarHBondContact N-O 2.8Å | ||
| 403 | V | 94 | Very high | 89.3 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 38% | 0.376 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.4 | 165.9 | -178.3 | 0 | 0 | 0 | 0 | 106 | D233 F234 D235 R237 | D233-V403 HydrophobicContact CB-CG1 3.84Å; D233-V403 WeakPolarHBondContact OD2-CG1 3.29Å; F234-V403 WeakPolarHBondContact O-CA 3.45Å; D235-V403 HydrophobicContact CB-CG2 4.24Å; R237-V403 HydrophobicContact CG-CG2 4.42Å; R237-V403 VanDerWaalsContact CZ-CG2 3.42Å |
| 404 | Y | 93.9 | Very high | 88 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.1 | -176.1 | -63.4 | -72.1 | 0 | 0 | 0 | 109.8 | D233 F234 I236 T257 T258 F264 K400 | D233-Y404 CarbonylContact C-O 3.59Å; D233-Y404 WeakPolarHBondContact CA-O 3.45Å; D233-Y404 WeakPolarHBondContact CB-O 3.08Å; F234-Y404 PolarHBondContact N-O 3.19Å; F234-Y404 PolarHBondContact O-N 3.13Å; I236-Y404 HydrophobicContact CD1-CD2 3.96Å; I236-Y404 HydrophobicContact CD1-CE2 3.7Å; I236-Y404 HydrophobicContact CG1-CD2 3.9Å; I236-Y404 HydrophobicContact CG1-CE2 3.85Å; T257-Y404 WeakPolarHBondContact O-CB 3.42Å; T258-Y404 HydrophobicContact CG2-CE1 4.06Å; T258-Y404 HydrophobicContact CG2-CE2 4.14Å; F264-Y404 AromaticContact CE1-CD2 3.83Å; F264-Y404 HydrophobicContact CE1-CD2 3.83Å; F264-Y404 HydrophobicContact CE1-CG 4.15Å; F264-Y404 HydrophobicContact CZ-CD2 4.38Å; K400-Y404 PolarHBondContact O-OH 3.39Å |
| 405 | K | 94.3 | Very high | 86.7 | Confident | 173 Ų | 173 | 56.9 Ų | 56.9 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 145.4 | 176.8 | -69.6 | -172.1 | 176.6 | -177.4 | 0 | 110.1 | ||
| 406 | A | 92.1 | Very high | 86.1 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -60 | 134.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L228 I231 S232 F234 | L228-A406 HydrophobicContact CD1-CB 4.14Å; L228-A406 HydrophobicContact CD2-CB 4.16Å; I231-A406 WeakPolarHBondContact O-CB 3.33Å; S232-A406 WeakPolarHBondContact O-CB 3.25Å; S232-A406 PolarHBondContact O-N 3.27Å; F234-A406 HydrophobicContact CE2-CB 4.17Å |
| 407 | P | 89.8 | Confident | 86 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 20% | 0.195 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 148.3 | -178.3 | 26.3 | -31.9 | 0 | 0 | 0 | 111 | L224 L228 I255 P409 | L224-P407 HydrophobicContact CD1-CG 4.48Å; L224-P407 HydrophobicContact CD2-CG 4.09Å; L228-P407 HydrophobicContact CD1-CG 4.11Å; L228-P407 VanDerWaalsContact CD1-O 3.27Å; L228-P407 WeakPolarHBondContact CD1-O 3.25Å; I255-P407 VanDerWaalsContact O-CD 3.29Å; I255-P407 WeakPolarHBondContact O-CD 3.28Å; I255-P407 WeakPolarHBondContact O-CG 3.4Å; P407-P409 VanDerWaalsContact O-CD 3.29Å; P407-P409 WeakPolarHBondContact O-CD 3.48Å |
| 408 | D | 88.5 | Confident | 85.9 | Confident | 88 Ų | 88 | 52 Ų | 52 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 118.8 | 173.3 | 178.1 | -8.4 | 0 | 0 | 0 | 109.6 | S410 Q411 | D408-S410 PolarHBondContact O-N 2.95Å; D408-S410 VanDerWaalsContact O-N 3.11Å; D408-S410 WeakPolarHBondContact OD1-CB 3.3Å; D408-S410 PolarHBondContact OD1-N 3.47Å; D408-S410 PolarHBondContact OD1-OG 3.3Å; D408-S410 PolarHBondContact OD2-OG 3.27Å; D408-Q411 HydrophobicContact CB-CB 4.3Å; D408-Q411 HydrophobicContact CB-CG 3.96Å; D408-Q411 PolarHBondContact O-N 3.35Å |
| 409 | P | 87.8 | Confident | 85.7 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -57.5 | -25.6 | 179 | -26 | 36.1 | 0 | 0 | 0 | 114.7 | K221 L224 E225 L228 P407 Q411 | K221-P409 HydrophobicContact CG-CB 4.03Å; L224-P409 HydrophobicContact CB-CB 4.29Å; L224-P409 HydrophobicContact CD2-CB 4.22Å; L224-P409 HydrophobicContact CD2-CG 4.31Å; L224-P409 HydrophobicContact CG-CB 4.39Å; L224-P409 HydrophobicContact CG-CG 4.27Å; E225-P409 HydrophobicContact CG-CB 3.72Å; E225-P409 HydrophobicContact CG-CG 3.81Å; L228-P409 HydrophobicContact CD1-CG 4.4Å; P407-P409 VanDerWaalsContact O-CD 3.29Å; P407-P409 WeakPolarHBondContact O-CD 3.48Å; P409-Q411 PolarHBondContact O-N 3.26Å |
| 410 | S | 84.6 | Confident | 85.7 | Confident | 64 Ų | 64 | 50.6 Ų | 50.6 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -70.7 | -16.6 | 175.2 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | D408 | D408-S410 PolarHBondContact O-N 2.95Å; D408-S410 VanDerWaalsContact O-N 3.11Å; D408-S410 WeakPolarHBondContact OD1-CB 3.3Å; D408-S410 PolarHBondContact OD1-N 3.47Å; D408-S410 PolarHBondContact OD1-OG 3.3Å; D408-S410 PolarHBondContact OD2-OG 3.27Å |
| 411 | Q | 79.4 | Confident | 85.8 | Confident | 73 Ų | 73 | 42.8 Ų | 42.8 | 34% | 0.341 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -111.1 | 11.5 | -176.1 | -53 | -57.9 | -53.9 | 0 | 0 | 112.6 | D408 P409 N413 K414 | D408-Q411 HydrophobicContact CB-CB 4.3Å; D408-Q411 HydrophobicContact CB-CG 3.96Å; D408-Q411 PolarHBondContact O-N 3.35Å; P409-Q411 PolarHBondContact O-N 3.26Å; Q411-N413 PolarHBondContact O-N 2.88Å; Q411-K414 HydrophobicContact CB-CD 4.32Å; Q411-K414 WeakPolarHBondContact O-CB 3.37Å; Q411-K414 PolarHBondContact O-N 3.41Å |
| 412 | I | 74.4 | Confident | 85.9 | Confident | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.3 | -173.5 | -172 | 158.2 | 0 | 0 | 0 | 114.3 | F220 L224 F253 | F220-I412 HydrophobicContact CB-CD1 3.59Å; L224-I412 HydrophobicContact CB-CD1 3.68Å; L224-I412 HydrophobicContact CD2-CB 4.11Å; L224-I412 HydrophobicContact CD2-CD1 3.56Å; L224-I412 HydrophobicContact CD2-CG1 4.01Å; L224-I412 HydrophobicContact CG-CD1 4.1Å; F253-I412 HydrophobicContact CB-CD1 3.94Å; F253-I412 HydrophobicContact CB-CG1 4.24Å; F253-I412 HydrophobicContact CD2-CD1 3.66Å; F253-I412 HydrophobicContact CG-CD1 4.07Å |
| 413 | N | 66.1 | Low | 85.9 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -7 | -179.4 | -68.3 | -28.8 | 0 | 0 | 0 | 113.7 | Q411 H419 | Q411-N413 PolarHBondContact O-N 2.88Å; N413-H419 WeakPolarHBondContact O-CB 3.3Å; N413-H419 PolarHBondContact O-CD2 3.47Å |
| 414 | K | 69.9 | Low | 86 | Confident | 120 Ų | 120 | 41 Ų | 41 | 52% | 0.522 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 135.4 | -179.8 | -74.1 | -169 | 170.9 | 169.3 | 0 | 111.9 | Q411 Y416 | Q411-K414 HydrophobicContact CB-CD 4.32Å; Q411-K414 WeakPolarHBondContact O-CB 3.37Å; Q411-K414 PolarHBondContact O-N 3.41Å; K414-Y416 PolarHBondContact O-N 2.97Å |
| 415 | L | 68.8 | Low | 86 | Confident | 21 Ų | 21 | 40.2 Ų | 40.2 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 11.2 | 177.2 | -58.3 | 175.9 | 0 | 0 | 0 | 116 | F420 E437 E438 K444 | L415-F420 HydrophobicContact CD2-CD1 4.2Å; L415-F420 HydrophobicContact CD2-CD2 4.22Å; L415-F420 HydrophobicContact CD2-CE1 4.27Å; L415-F420 HydrophobicContact CD2-CE2 4.33Å; L415-F420 HydrophobicContact CD2-CG 4.2Å; L415-F420 HydrophobicContact CD2-CZ 4.37Å; L415-E437 HydrophobicContact CD1-CG 4Å; L415-E437 WeakPolarHBondContact CD1-OE1 3.38Å; L415-E438 HydrophobicContact CD2-CG 4Å; L415-K444 PolarHBondContact O-NZ 3.09Å; L415-K444 VanDerWaalsContact O-NZ 3.12Å |
| 416 | Y | 83.6 | Confident | 85.9 | Confident | 10 Ų | 10 | 32.5 Ų | 32.5 | 4% | 0.039 | 17% | 0.169 | C | C | . | . | trans | -65.8 | 141.1 | 165.3 | 169.1 | -124 | 0 | 0 | 0 | 110 | V217 V247 H248 G249 A252 K414 R418 H419 F420 | V217-Y416 HydrophobicContact CG1-CE1 4.36Å; V247-Y416 VanDerWaalsContact C-CE2 3.48Å; V247-Y416 HydrophobicContact CB-CD2 4.06Å; V247-Y416 HydrophobicContact CB-CE2 3.53Å; V247-Y416 HydrophobicContact CG1-CD2 4.05Å; V247-Y416 HydrophobicContact CG1-CE2 3.36Å; V247-Y416 WeakPolarHBondContact O-CE2 3.43Å; H248-Y416 VanDerWaalsContact C-OH 3.3Å; H248-Y416 WeakPolarHBondContact CA-OH 3.32Å; G249-Y416 PolarHBondContact N-OH 3Å; G249-Y416 PolarHBondContact O-OH 2.81Å; A252-Y416 PolarHBondContact O-OH 2.79Å; K414-Y416 PolarHBondContact O-N 2.97Å; Y416-R418 HydrophobicContact CD1-CB 4.19Å; Y416-R418 HydrophobicContact CE1-CB 3.63Å; Y416-R418 HydrophobicContact CE1-CG 3.82Å; Y416-R418 PolarHBondContact O-N 2.88Å; Y416-H419 HydrophobicContact CD1-CB 4.37Å; Y416-H419 PolarHBondContact O-N 3.23Å; Y416-F420 VanDerWaalsContact O-CB 3.28Å; Y416-F420 WeakPolarHBondContact O-CB 3.32Å; Y416-F420 PolarHBondContact O-N 3.24Å | ||
| 417 | F | 90.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -46.5 | -54.8 | -172 | 175.9 | -109.4 | 0 | 0 | 0 | 114 | L246 V247 H248 F420 L421 L445 E448 F452 T466 | L246-F417 HydrophobicContact CD1-CD2 4.31Å; L246-F417 HydrophobicContact CD1-CG 4.36Å; V247-F417 WeakPolarHBondContact O-CB 3.42Å; H248-F417 HydrophobicContact CB-CD1 3.71Å; H248-F417 HydrophobicContact CB-CE1 4Å; F417-F420 PolarHBondContact O-N 2.98Å; F417-L421 HydrophobicContact CE1-CD2 4.45Å; F417-L421 HydrophobicContact CZ-CD2 4.23Å; F417-L421 WeakPolarHBondContact O-CB 3.44Å; F417-L421 PolarHBondContact O-N 3.4Å; F417-L445 HydrophobicContact CD2-CD1 4.07Å; F417-L445 HydrophobicContact CE2-CD1 4.23Å; F417-E448 HydrophobicContact CD2-CB 3.53Å; F417-E448 HydrophobicContact CD2-CG 4.47Å; F417-E448 HydrophobicContact CE2-CB 3.81Å; F417-F452 AromaticContact CE1-CD2 3.79Å; F417-F452 HydrophobicContact CE1-CD2 3.79Å; F417-F452 HydrophobicContact CE1-CE2 4.17Å; F417-F452 HydrophobicContact CE1-CG 4.16Å; F417-F452 HydrophobicContact CZ-CB 3.91Å; F417-F452 HydrophobicContact CZ-CD2 4.02Å; F417-F452 AromaticContact CZ-CG 3.91Å; F417-F452 HydrophobicContact CZ-CG 3.91Å; F417-T466 HydrophobicContact CZ-CG2 4.49Å |
| 418 | R | 88.8 | Confident | 86.3 | Confident | 8 Ų | 8 | 32 Ų | 32 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66 | -47.5 | -177.1 | -62.8 | -174.8 | 74.2 | 91.8 | -4.1 | 111.7 | V214 V217 H248 Y416 F420 L421 H422 S462 | V214-R418 HydrophobicContact CG1-CB 4.07Å; V214-R418 WeakPolarHBondContact CG1-O 3.28Å; V217-R418 HydrophobicContact CG1-CB 4.47Å; H248-R418 VanDerWaalsContact O-CD 3.27Å; H248-R418 WeakPolarHBondContact O-CD 3.27Å; H248-R418 WeakPolarHBondContact O-CG 3.28Å; H248-R418 PolarHBondContact O-NH1 3.45Å; Y416-R418 HydrophobicContact CD1-CB 4.19Å; Y416-R418 HydrophobicContact CE1-CB 3.63Å; Y416-R418 HydrophobicContact CE1-CG 3.82Å; Y416-R418 PolarHBondContact O-N 2.88Å; R418-F420 VanDerWaalsContact C-N 3.32Å; R418-F420 PolarHBondContact O-N 3.17Å; R418-L421 PolarHBondContact O-N 2.57Å; R418-H422 WeakPolarHBondContact O-CB 3.46Å; R418-H422 PolarHBondContact O-N 2.91Å; R418-S462 PolarHBondContact NH1-OG 3.32Å |
| 419 | H | 88.1 | Confident | 86.4 | Confident | 49 Ų | 49 | 30.2 Ų | 30.2 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 178.9 | 177.9 | 78.2 | 0 | 0 | 0 | 111.1 | N413 Y416 H422 R423 | N413-H419 WeakPolarHBondContact O-CB 3.3Å; N413-H419 PolarHBondContact O-CD2 3.47Å; Y416-H419 HydrophobicContact CD1-CB 4.37Å; Y416-H419 PolarHBondContact O-N 3.23Å; H419-H422 WeakPolarHBondContact O-CB 3.4Å; H419-H422 PolarHBondContact O-N 3.15Å; H419-R423 WeakPolarHBondContact O-CG 3.47Å; H419-R423 PolarHBondContact O-N 2.88Å |
| 420 | F | 91.4 | Very high | 86.7 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.3 | -35.4 | -178.8 | -170 | -156.7 | 0 | 0 | 0 | 112.1 | L415 Y416 F417 R418 H422 R423 F424 E438 S441 L442 L445 | L415-F420 HydrophobicContact CD2-CD1 4.2Å; L415-F420 HydrophobicContact CD2-CD2 4.22Å; L415-F420 HydrophobicContact CD2-CE1 4.27Å; L415-F420 HydrophobicContact CD2-CE2 4.33Å; L415-F420 HydrophobicContact CD2-CG 4.2Å; L415-F420 HydrophobicContact CD2-CZ 4.37Å; Y416-F420 VanDerWaalsContact O-CB 3.28Å; Y416-F420 WeakPolarHBondContact O-CB 3.32Å; Y416-F420 PolarHBondContact O-N 3.24Å; F417-F420 PolarHBondContact O-N 2.98Å; R418-F420 VanDerWaalsContact C-N 3.32Å; R418-F420 PolarHBondContact O-N 3.17Å; F420-H422 VanDerWaalsContact C-N 3.35Å; F420-R423 HydrophobicContact CD2-CB 4.38Å; F420-R423 PolarHBondContact O-N 2.99Å; F420-F424 WeakPolarHBondContact O-CB 3.42Å; F420-F424 PolarHBondContact O-N 2.85Å; F420-E438 HydrophobicContact CD2-CG 4.37Å; F420-E438 HydrophobicContact CE2-CB 3.83Å; F420-E438 HydrophobicContact CE2-CG 4.05Å; F420-E438 HydrophobicContact CZ-CB 4.45Å; F420-E438 WeakPolarHBondContact CZ-O 3.39Å; F420-S441 WeakPolarHBondContact CE1-O 3.43Å; F420-L442 HydrophobicContact CE2-CD2 4.36Å; F420-L442 HydrophobicContact CZ-CD2 4.02Å; F420-L442 HydrophobicContact CZ-CG 4.38Å; F420-L445 HydrophobicContact CD1-CB 3.71Å; F420-L445 HydrophobicContact CD1-CD1 4.2Å; F420-L445 HydrophobicContact CD1-CD2 4.16Å; F420-L445 HydrophobicContact CD1-CG 4.24Å; F420-L445 HydrophobicContact CD2-CD2 4.44Å; F420-L445 HydrophobicContact CE1-CB 3.52Å; F420-L445 HydrophobicContact CE1-CD2 4.22Å; F420-L445 HydrophobicContact CE1-CG 4.38Å; F420-L445 HydrophobicContact CE2-CD2 4.46Å; F420-L445 HydrophobicContact CG-CD2 4.25Å; F420-L445 HydrophobicContact CZ-CB 4.23Å; F420-L445 HydrophobicContact CZ-CD2 4.33Å |
| 421 | L | 94.1 | Very high | 87 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 169.9 | 179.7 | 58.8 | 0 | 0 | 0 | 111.4 | V214 F417 R418 F424 A425 L445 T466 L469 L470 | V214-L421 HydrophobicContact CG1-CB 4.4Å; V214-L421 HydrophobicContact CG1-CD2 4.2Å; V214-L421 HydrophobicContact CG1-CG 4.37Å; F417-L421 HydrophobicContact CE1-CD2 4.45Å; F417-L421 HydrophobicContact CZ-CD2 4.23Å; F417-L421 WeakPolarHBondContact O-CB 3.44Å; F417-L421 PolarHBondContact O-N 3.4Å; R418-L421 PolarHBondContact O-N 2.57Å; L421-F424 PolarHBondContact O-N 3.07Å; L421-A425 WeakPolarHBondContact O-CB 3.46Å; L421-A425 PolarHBondContact O-N 2.91Å; L421-L445 HydrophobicContact CB-CD1 4.1Å; L421-T466 HydrophobicContact CD2-CG2 3.65Å; L421-L469 HydrophobicContact CD1-CD2 4.3Å; L421-L469 HydrophobicContact CD2-CD2 3.98Å; L421-L469 HydrophobicContact CG-CD2 3.83Å; L421-L470 HydrophobicContact CD1-CD2 3.79Å |
| 422 | H | 91.8 | Very high | 87.7 | Confident | 43 Ų | 43 | 33.1 Ų | 33.1 | 20% | 0.199 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 173.9 | 175.3 | -90.3 | 0 | 0 | 0 | 111.6 | W211 V214 G215 R418 H419 F420 F424 A425 C426 | W211-H422 AromaticContact CZ3-CD2 3.73Å; W211-H422 AromaticContact CZ3-NE2 3.76Å; V214-H422 HydrophobicContact CG1-CB 4.4Å; G215-H422 VanDerWaalsContact CA-CD2 3.4Å; G215-H422 WeakPolarHBondContact CA-CD2 3.37Å; G215-H422 PolarHBondContact N-CD2 3.15Å; R418-H422 WeakPolarHBondContact O-CB 3.46Å; R418-H422 PolarHBondContact O-N 2.91Å; H419-H422 WeakPolarHBondContact O-CB 3.4Å; H419-H422 PolarHBondContact O-N 3.15Å; F420-H422 VanDerWaalsContact C-N 3.35Å; H422-F424 VanDerWaalsContact C-N 3.33Å; H422-F424 PolarHBondContact O-N 2.94Å; H422-A425 WeakPolarHBondContact O-CB 3.29Å; H422-A425 PolarHBondContact O-N 2.81Å; H422-A425 VanDerWaalsContact O-N 3.16Å; H422-C426 VanDerWaalsContact CE1-SG 3.55Å; H422-C426 PolarHBondContact O-N 2.91Å; H422-C426 PolarHBondContact O-SG 2.86Å |
| 423 | R | 93.1 | Very high | 88.7 | Confident | 52 Ų | 52 | 40.6 Ų | 40.6 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 174.3 | -72.6 | -69.7 | -62.1 | 143.1 | 7.8 | 112.1 | H419 F420 C426 H427 E433 L434 E438 | H419-R423 WeakPolarHBondContact O-CG 3.47Å; H419-R423 PolarHBondContact O-N 2.88Å; F420-R423 HydrophobicContact CD2-CB 4.38Å; F420-R423 PolarHBondContact O-N 2.99Å; R423-C426 PolarHBondContact O-N 3.46Å; R423-H427 PolarHBondContact O-N 3.35Å; R423-E433 PolarHBondContact NH2-O 3.22Å; R423-L434 HydrophobicContact CB-CD2 4.34Å; R423-E438 WeakPolarHBondContact CG-OE1 3.36Å; R423-E438 IonicContact CZ-OE1 3.69Å; R423-E438 IonicContact CZ-OE2 3.16Å; R423-E438 IonicContact NE-OE1 3.95Å; R423-E438 PolarHBondContact NE-OE1 2.82Å; R423-E438 IonicContact NE-OE2 2.7Å; R423-E438 IonicContact NH2-OE1 3.37Å; R423-E438 IonicContact NH2-OE2 3.05Å; R423-E438 PolarHBondContact NH2-OE2 2.75Å |
| 424 | F | 95 | Very high | 90 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 174.5 | -178.5 | -113.3 | 0 | 0 | 0 | 112.2 | F420 L421 H422 H427 A428 L442 L445 I473 K492 A495 L496 L499 | F420-F424 WeakPolarHBondContact O-CB 3.42Å; F420-F424 PolarHBondContact O-N 2.85Å; L421-F424 PolarHBondContact O-N 3.07Å; H422-F424 VanDerWaalsContact C-N 3.33Å; H422-F424 PolarHBondContact O-N 2.94Å; F424-H427 WeakPolarHBondContact O-CB 3.39Å; F424-H427 PolarHBondContact O-N 3.11Å; F424-A428 VanDerWaalsContact O-CB 3.26Å; F424-A428 WeakPolarHBondContact O-CB 3.42Å; F424-A428 PolarHBondContact O-N 2.99Å; F424-L442 HydrophobicContact CD2-CD2 3.5Å; F424-L442 VanDerWaalsContact CD2-CD2 3.5Å; F424-L442 HydrophobicContact CE2-CD2 3.85Å; F424-L442 HydrophobicContact CG-CD2 4.33Å; F424-L445 HydrophobicContact CB-CD2 3.56Å; F424-L445 HydrophobicContact CD1-CD2 4.21Å; F424-L445 HydrophobicContact CG-CD2 3.87Å; F424-I473 HydrophobicContact CD1-CD1 4.17Å; F424-I473 HydrophobicContact CE1-CD1 4.3Å; F424-I473 HydrophobicContact CE1-CG2 4.4Å; F424-K492 HydrophobicContact CE2-CG 4.26Å; F424-A495 HydrophobicContact CE2-CB 4.29Å; F424-A495 HydrophobicContact CZ-CB 4.2Å; F424-L496 HydrophobicContact CE1-CD2 4.05Å; F424-L496 HydrophobicContact CZ-CD2 3.75Å; F424-L496 HydrophobicContact CZ-CG 4.16Å; F424-L499 HydrophobicContact CE1-CD1 4.48Å |
| 425 | A | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | W211 L421 H422 H427 A428 L429 L469 I473 | W211-A425 HydrophobicContact CD2-CB 4.4Å; W211-A425 HydrophobicContact CE3-CB 3.68Å; W211-A425 HydrophobicContact CZ3-CB 3.87Å; L421-A425 WeakPolarHBondContact O-CB 3.46Å; L421-A425 PolarHBondContact O-N 2.91Å; H422-A425 WeakPolarHBondContact O-CB 3.29Å; H422-A425 PolarHBondContact O-N 2.81Å; H422-A425 VanDerWaalsContact O-N 3.16Å; A425-H427 PolarHBondContact O-N 2.77Å; A425-A428 PolarHBondContact O-N 2.8Å; A425-A428 VanDerWaalsContact O-N 3.15Å; A425-L429 WeakPolarHBondContact O-CB 3.24Å; A425-L429 PolarHBondContact O-N 3.35Å; A425-L469 HydrophobicContact CB-CD1 3.65Å; A425-L469 HydrophobicContact CB-CD2 4.27Å; A425-L469 HydrophobicContact CB-CG 4.5Å; A425-I473 HydrophobicContact CB-CD1 4.09Å |
| 426 | C | 93.2 | Very high | 92.2 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -55.9 | -41.1 | 172.6 | -70.8 | 0 | 0 | 0 | 0 | 111.6 | H422 R423 E430 G431 V432 | H422-C426 VanDerWaalsContact CE1-SG 3.55Å; H422-C426 PolarHBondContact O-N 2.91Å; H422-C426 PolarHBondContact O-SG 2.86Å; R423-C426 PolarHBondContact O-N 3.46Å; C426-E430 CarbonylContact O-C 3.59Å; C426-E430 WeakPolarHBondContact O-CA 3.44Å; C426-E430 WeakPolarHBondContact O-CB 3.23Å; C426-E430 PolarHBondContact O-N 2.9Å; C426-G431 PolarHBondContact O-N 2.7Å; C426-V432 HydrophobicContact CB-CB 4.01Å; C426-V432 HydrophobicContact CB-CG2 4.02Å; C426-V432 PolarHBondContact O-N 3.1Å |
| 427 | H | 94.9 | Very high | 92.5 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 14% | 0.139 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -66.3 | -42.4 | 176.5 | -179.5 | 63.6 | 0 | 0 | 0 | 113.3 | R423 F424 A425 G431 V432 L434 | R423-H427 PolarHBondContact O-N 3.35Å; F424-H427 WeakPolarHBondContact O-CB 3.39Å; F424-H427 PolarHBondContact O-N 3.11Å; A425-H427 PolarHBondContact O-N 2.77Å; H427-G431 PolarHBondContact O-N 3.14Å; H427-V432 WeakPolarHBondContact CA-O 3.37Å; H427-V432 WeakPolarHBondContact CB-O 3.34Å; H427-V432 PolarHBondContact ND1-O 3.24Å; H427-L434 HydrophobicContact CB-CD1 4.3Å; H427-L434 HydrophobicContact CB-CD2 3.91Å; H427-L434 HydrophobicContact CB-CG 3.81Å |
| 428 | A | 93.6 | Very high | 92.6 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 11% | 0.107 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -74.2 | -42.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | F424 A425 I473 V477 | F424-A428 VanDerWaalsContact O-CB 3.26Å; F424-A428 WeakPolarHBondContact O-CB 3.42Å; F424-A428 PolarHBondContact O-N 2.99Å; A425-A428 PolarHBondContact O-N 2.8Å; A425-A428 VanDerWaalsContact O-N 3.15Å; A428-I473 HydrophobicContact CB-CG1 4.29Å; A428-I473 HydrophobicContact CB-CG2 3.95Å; A428-V477 HydrophobicContact CB-CG2 4.11Å; A428-V477 VanDerWaalsContact O-CG2 3.3Å; A428-V477 WeakPolarHBondContact O-CG2 3.49Å |
| 429 | L | 92.2 | Very high | 92.7 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 27% | 0.267 | 27% | 0.267 | S | S | . | . | I | π-helix | trans | -99.4 | -35 | -170.6 | -61.1 | 176.1 | 0 | 0 | 0 | 113.4 | W211 A425 L469 I473 N476 | W211-L429 HydrophobicContact CD2-CD1 4.3Å; W211-L429 HydrophobicContact CG-CD1 4.41Å; A425-L429 WeakPolarHBondContact O-CB 3.24Å; A425-L429 PolarHBondContact O-N 3.35Å; L429-L469 HydrophobicContact CD1-CD1 4.36Å; L429-I473 HydrophobicContact CD1-CG1 4.14Å; L429-I473 HydrophobicContact CD2-CG1 4.28Å; L429-I473 HydrophobicContact CG-CG1 4.1Å; L429-N476 HydrophobicContact CD2-CB 3.71Å |
| 430 | E | 92.4 | Very high | 92.8 | Very high | 108 Ų | 108 | 56.3 Ų | 56.3 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -111 | -5.5 | -174.3 | -57.4 | 177.4 | 156.3 | 0 | 0 | 112.8 | W211 C426 V432 | W211-E430 HydrophobicContact CH2-CG 4.39Å; W211-E430 WeakPolarHBondContact CH2-OE1 3.37Å; W211-E430 HydrophobicContact CZ2-CG 4.27Å; W211-E430 VanDerWaalsContact CZ2-OE1 3.31Å; W211-E430 WeakPolarHBondContact CZ2-OE1 3.12Å; C426-E430 CarbonylContact O-C 3.59Å; C426-E430 WeakPolarHBondContact O-CA 3.44Å; C426-E430 WeakPolarHBondContact O-CB 3.23Å; C426-E430 PolarHBondContact O-N 2.9Å; E430-V432 VanDerWaalsContact C-N 3.32Å; E430-V432 HydrophobicContact CB-CG2 4.21Å; E430-V432 PolarHBondContact O-N 2.87Å |
| 431 | G | 91.9 | Very high | 92.8 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | trans | 75.1 | 15.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C426 H427 E433 | C426-G431 PolarHBondContact O-N 2.7Å; H427-G431 PolarHBondContact O-N 3.14Å; G431-E433 PolarHBondContact O-N 2.7Å | ||
| 432 | V | 94.8 | Very high | 92.8 | Very high | 57 Ų | 57 | 57.3 Ų | 57.3 | 35% | 0.345 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 127.8 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | C426 H427 E430 | C426-V432 HydrophobicContact CB-CB 4.01Å; C426-V432 HydrophobicContact CB-CG2 4.02Å; C426-V432 PolarHBondContact O-N 3.1Å; H427-V432 WeakPolarHBondContact CA-O 3.37Å; H427-V432 WeakPolarHBondContact CB-O 3.34Å; H427-V432 PolarHBondContact ND1-O 3.24Å; E430-V432 VanDerWaalsContact C-N 3.32Å; E430-V432 HydrophobicContact CB-CG2 4.21Å; E430-V432 PolarHBondContact O-N 2.87Å |
| 433 | E | 94.4 | Very high | 92.7 | Very high | 168 Ų | 168 | 59.8 Ų | 59.8 | 79% | 0.785 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 142.5 | -178.5 | -66.8 | -170.1 | 161.7 | 0 | 0 | 112.8 | R423 G431 | R423-E433 PolarHBondContact NH2-O 3.22Å; G431-E433 PolarHBondContact O-N 2.7Å |
| 434 | L | 94.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 145.1 | 168.1 | -66 | 179.5 | 0 | 0 | 0 | 109.4 | R423 H427 E438 E439 L442 | R423-L434 HydrophobicContact CB-CD2 4.34Å; H427-L434 HydrophobicContact CB-CD1 4.3Å; H427-L434 HydrophobicContact CB-CD2 3.91Å; H427-L434 HydrophobicContact CB-CG 3.81Å; L434-E438 WeakPolarHBondContact CA-OE2 3.29Å; L434-E438 HydrophobicContact CB-CB 3.98Å; L434-E438 HydrophobicContact CD2-CB 4.16Å; L434-E438 HydrophobicContact CG-CB 4.46Å; L434-E439 HydrophobicContact CB-CG 3.89Å; L434-E439 HydrophobicContact CD1-CG 4.48Å; L434-L442 HydrophobicContact CD1-CD1 4.13Å; L434-L442 HydrophobicContact CD1-CD2 4.02Å; L434-L442 HydrophobicContact CD1-CG 4.33Å |
| 435 | T | 92.9 | Very high | 92.6 | Very high | 73 Ų | 73 | 58.9 Ų | 58.9 | 45% | 0.448 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 160.4 | 167.2 | 64.6 | 0 | 0 | 0 | 0 | 110.4 | E437 E438 E439 | T435-E437 PolarHBondContact O-N 2.94Å; T435-E438 PolarHBondContact N-OE2 2.99Å; T435-E438 WeakPolarHBondContact O-CB 3.41Å; T435-E438 PolarHBondContact O-N 3.16Å; T435-E438 VanDerWaalsContact O-N 3.09Å; T435-E438 WeakPolarHBondContact OG1-CB 3.4Å; T435-E438 VanDerWaalsContact OG1-CG 3.25Å; T435-E438 WeakPolarHBondContact OG1-CG 2.97Å; T435-E438 PolarHBondContact OG1-N 3.28Å; T435-E438 PolarHBondContact OG1-OE2 3.23Å; T435-E438 VanDerWaalsContact OG1-OE2 3.06Å; T435-E439 PolarHBondContact O-N 3.37Å |
| 436 | K | 91.3 | Very high | 92.6 | Very high | 152 Ų | 152 | 59.4 Ų | 59.4 | 66% | 0.661 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57 | -38.6 | 177.1 | -174.4 | 179.4 | 175.5 | -174.2 | 0 | 113 | E439 E440 | K436-E439 PolarHBondContact O-N 3.1Å; K436-E440 WeakPolarHBondContact CE-OE1 3.41Å; K436-E440 WeakPolarHBondContact O-CG 3.47Å; K436-E440 PolarHBondContact O-N 3.21Å |
| 437 | E | 89.4 | Confident | 92.6 | Very high | 110 Ų | 110 | 60.7 Ų | 60.7 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 177.4 | -171 | -174.7 | 179.2 | 0 | 0 | 111.7 | L415 T435 S441 | L415-E437 HydrophobicContact CD1-CG 4Å; L415-E437 WeakPolarHBondContact CD1-OE1 3.38Å; T435-E437 PolarHBondContact O-N 2.94Å; E437-S441 WeakPolarHBondContact O-CB 3.14Å; E437-S441 PolarHBondContact O-N 2.86Å; E437-S441 VanDerWaalsContact O-N 3.12Å; E437-S441 PolarHBondContact O-OG 3.35Å |
| 438 | E | 92.1 | Very high | 92.6 | Very high | 16 Ų | 16 | 60 Ų | 60 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.2 | -46 | 173.7 | -74.3 | 170.6 | 140.4 | 0 | 0 | 111.1 | L415 F420 R423 L434 T435 E440 S441 L442 | L415-E438 HydrophobicContact CD2-CG 4Å; F420-E438 HydrophobicContact CD2-CG 4.37Å; F420-E438 HydrophobicContact CE2-CB 3.83Å; F420-E438 HydrophobicContact CE2-CG 4.05Å; F420-E438 HydrophobicContact CZ-CB 4.45Å; F420-E438 WeakPolarHBondContact CZ-O 3.39Å; R423-E438 WeakPolarHBondContact CG-OE1 3.36Å; R423-E438 IonicContact CZ-OE1 3.69Å; R423-E438 IonicContact CZ-OE2 3.16Å; R423-E438 IonicContact NE-OE1 3.95Å; R423-E438 PolarHBondContact NE-OE1 2.82Å; R423-E438 IonicContact NE-OE2 2.7Å; R423-E438 IonicContact NH2-OE1 3.37Å; R423-E438 IonicContact NH2-OE2 3.05Å; R423-E438 PolarHBondContact NH2-OE2 2.75Å; L434-E438 WeakPolarHBondContact CA-OE2 3.29Å; L434-E438 HydrophobicContact CB-CB 3.98Å; L434-E438 HydrophobicContact CD2-CB 4.16Å; L434-E438 HydrophobicContact CG-CB 4.46Å; T435-E438 PolarHBondContact N-OE2 2.99Å; T435-E438 WeakPolarHBondContact O-CB 3.41Å; T435-E438 PolarHBondContact O-N 3.16Å; T435-E438 VanDerWaalsContact O-N 3.09Å; T435-E438 WeakPolarHBondContact OG1-CB 3.4Å; T435-E438 VanDerWaalsContact OG1-CG 3.25Å; T435-E438 WeakPolarHBondContact OG1-CG 2.97Å; T435-E438 PolarHBondContact OG1-N 3.28Å; T435-E438 PolarHBondContact OG1-OE2 3.23Å; T435-E438 VanDerWaalsContact OG1-OE2 3.06Å; E438-E440 PolarHBondContact O-N 3.15Å; E438-S441 CarbonylContact O-C 3.47Å; E438-S441 PolarHBondContact O-N 3.2Å; E438-S441 VanDerWaalsContact O-N 3.08Å; E438-L442 PolarHBondContact O-N 3.01Å |
| 439 | E | 92.4 | Very high | 92.7 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 38% | 0.383 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 177.2 | -70.3 | -167.3 | 152.3 | 0 | 0 | 112.6 | L434 T435 K436 S441 L442 | L434-E439 HydrophobicContact CB-CG 3.89Å; L434-E439 HydrophobicContact CD1-CG 4.48Å; T435-E439 PolarHBondContact O-N 3.37Å; K436-E439 PolarHBondContact O-N 3.1Å; E439-S441 PolarHBondContact O-N 3.41Å; E439-L442 PolarHBondContact O-N 3.49Å |
| 440 | E | 90 | Very high | 92.8 | Very high | 141 Ų | 141 | 58.3 Ų | 58.3 | 66% | 0.659 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.6 | -25.6 | 177.2 | -73.1 | 178.3 | -176.5 | 0 | 0 | 112.2 | K436 E438 | K436-E440 WeakPolarHBondContact CE-OE1 3.41Å; K436-E440 WeakPolarHBondContact O-CG 3.47Å; K436-E440 PolarHBondContact O-N 3.21Å; E438-E440 PolarHBondContact O-N 3.15Å |
| 441 | S | 91.4 | Very high | 93 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -90 | -5.2 | -179.6 | -61 | 0 | 0 | 0 | 0 | 114.3 | F420 E437 E438 E439 Q443 K444 L445 | F420-S441 WeakPolarHBondContact CE1-O 3.43Å; E437-S441 WeakPolarHBondContact O-CB 3.14Å; E437-S441 PolarHBondContact O-N 2.86Å; E437-S441 VanDerWaalsContact O-N 3.12Å; E437-S441 PolarHBondContact O-OG 3.35Å; E438-S441 CarbonylContact O-C 3.47Å; E438-S441 PolarHBondContact O-N 3.2Å; E438-S441 VanDerWaalsContact O-N 3.08Å; E439-S441 PolarHBondContact O-N 3.41Å; S441-Q443 VanDerWaalsContact C-N 3.26Å; S441-Q443 PolarHBondContact O-N 3.11Å; S441-Q443 VanDerWaalsContact O-N 3.14Å; S441-K444 WeakPolarHBondContact O-CA 3.38Å; S441-K444 VanDerWaalsContact O-CB 3.29Å; S441-K444 WeakPolarHBondContact O-CB 3.29Å; S441-K444 PolarHBondContact O-N 3.46Å; S441-L445 PolarHBondContact O-N 3.5Å |
| 442 | L | 93.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -35 | -176.4 | -77.7 | 172.4 | 0 | 0 | 0 | 113.8 | F420 F424 L434 E438 E439 K444 L445 V446 P491 A495 | F420-L442 HydrophobicContact CE2-CD2 4.36Å; F420-L442 HydrophobicContact CZ-CD2 4.02Å; F420-L442 HydrophobicContact CZ-CG 4.38Å; F424-L442 HydrophobicContact CD2-CD2 3.5Å; F424-L442 VanDerWaalsContact CD2-CD2 3.5Å; F424-L442 HydrophobicContact CE2-CD2 3.85Å; F424-L442 HydrophobicContact CG-CD2 4.33Å; L434-L442 HydrophobicContact CD1-CD1 4.13Å; L434-L442 HydrophobicContact CD1-CD2 4.02Å; L434-L442 HydrophobicContact CD1-CG 4.33Å; E438-L442 PolarHBondContact O-N 3.01Å; E439-L442 PolarHBondContact O-N 3.49Å; L442-K444 VanDerWaalsContact C-N 3.28Å; L442-K444 PolarHBondContact O-N 3.15Å; L442-L445 HydrophobicContact CD2-CD2 4.38Å; L442-L445 PolarHBondContact O-N 3.39Å; L442-V446 WeakPolarHBondContact O-CG2 3.32Å; L442-V446 PolarHBondContact O-N 3.45Å; L442-P491 HydrophobicContact CD1-CB 3.58Å; L442-A495 HydrophobicContact CB-CB 4.39Å |
| 443 | Q | 89.9 | Confident | 93.2 | Very high | 95 Ų | 95 | 48.6 Ų | 48.6 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.3 | -33.4 | 176.7 | -68.7 | -59.8 | -49.5 | 0 | 0 | 112.8 | S441 S447 H494 | S441-Q443 VanDerWaalsContact C-N 3.26Å; S441-Q443 PolarHBondContact O-N 3.11Å; S441-Q443 VanDerWaalsContact O-N 3.14Å; Q443-S447 PolarHBondContact O-N 2.65Å; Q443-H494 PolarHBondContact NE2-CE1 2.7Å; Q443-H494 PolarHBondContact NE2-ND1 2.89Å |
| 444 | K | 91.3 | Very high | 93.2 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -49.4 | 172.2 | 172.3 | -172.1 | 171.6 | -76.6 | 0 | 109.8 | G261 L415 S441 L442 V446 S447 E448 | G261-K444 WeakPolarHBondContact O-CE 3.2Å; L415-K444 PolarHBondContact O-NZ 3.09Å; L415-K444 VanDerWaalsContact O-NZ 3.12Å; S441-K444 WeakPolarHBondContact O-CA 3.38Å; S441-K444 VanDerWaalsContact O-CB 3.29Å; S441-K444 WeakPolarHBondContact O-CB 3.29Å; S441-K444 PolarHBondContact O-N 3.46Å; L442-K444 VanDerWaalsContact C-N 3.28Å; L442-K444 PolarHBondContact O-N 3.15Å; K444-V446 VanDerWaalsContact C-N 3.3Å; K444-V446 PolarHBondContact O-N 3.15Å; K444-S447 WeakPolarHBondContact O-CB 3.48Å; K444-S447 PolarHBondContact O-N 3.38Å; K444-S447 VanDerWaalsContact O-N 3.09Å; K444-E448 VanDerWaalsContact CE-OE1 3.26Å; K444-E448 WeakPolarHBondContact CE-OE1 3.36Å; K444-E448 HydrophobicContact CG-CG 4.43Å; K444-E448 IonicContact NZ-OE1 3.52Å; K444-E448 PolarHBondContact NZ-OE1 3.47Å; K444-E448 IonicContact NZ-OE2 2.74Å; K444-E448 PolarHBondContact NZ-OE2 3.26Å; K444-E448 WeakPolarHBondContact O-CG 3.21Å; K444-E448 PolarHBondContact O-N 2.82Å |
| 445 | L | 94.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | 178.1 | 178.8 | 62.9 | 0 | 0 | 0 | 111.8 | F417 F420 L421 F424 S441 L442 S447 E448 C449 | F417-L445 HydrophobicContact CD2-CD1 4.07Å; F417-L445 HydrophobicContact CE2-CD1 4.23Å; F420-L445 HydrophobicContact CD1-CB 3.71Å; F420-L445 HydrophobicContact CD1-CD1 4.2Å; F420-L445 HydrophobicContact CD1-CD2 4.16Å; F420-L445 HydrophobicContact CD1-CG 4.24Å; F420-L445 HydrophobicContact CD2-CD2 4.44Å; F420-L445 HydrophobicContact CE1-CB 3.52Å; F420-L445 HydrophobicContact CE1-CD2 4.22Å; F420-L445 HydrophobicContact CE1-CG 4.38Å; F420-L445 HydrophobicContact CE2-CD2 4.46Å; F420-L445 HydrophobicContact CG-CD2 4.25Å; F420-L445 HydrophobicContact CZ-CB 4.23Å; F420-L445 HydrophobicContact CZ-CD2 4.33Å; L421-L445 HydrophobicContact CB-CD1 4.1Å; F424-L445 HydrophobicContact CB-CD2 3.56Å; F424-L445 HydrophobicContact CD1-CD2 4.21Å; F424-L445 HydrophobicContact CG-CD2 3.87Å; S441-L445 PolarHBondContact O-N 3.5Å; L442-L445 HydrophobicContact CD2-CD2 4.38Å; L442-L445 PolarHBondContact O-N 3.39Å; L445-S447 VanDerWaalsContact C-N 3.35Å; L445-S447 PolarHBondContact O-N 3.04Å; L445-E448 PolarHBondContact O-N 3.25Å; L445-C449 WeakPolarHBondContact O-CB 3.4Å; L445-C449 PolarHBondContact O-N 2.99Å; L445-C449 PolarHBondContact O-SG 3.27Å |
| 446 | V | 94.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.3 | -50 | 174.7 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | L442 K444 E448 C449 V450 A495 L499 | L442-V446 WeakPolarHBondContact O-CG2 3.32Å; L442-V446 PolarHBondContact O-N 3.45Å; K444-V446 VanDerWaalsContact C-N 3.3Å; K444-V446 PolarHBondContact O-N 3.15Å; V446-E448 VanDerWaalsContact C-N 3.31Å; V446-E448 PolarHBondContact O-N 3.44Å; V446-C449 PolarHBondContact O-N 2.91Å; V446-V450 HydrophobicContact CG1-CG2 4.39Å; V446-V450 VanDerWaalsContact O-CG2 3.26Å; V446-V450 WeakPolarHBondContact O-CG2 3.26Å; V446-V450 PolarHBondContact O-N 3.04Å; V446-A495 HydrophobicContact CG2-CB 3.69Å; V446-L499 HydrophobicContact CB-CD2 4.38Å; V446-L499 HydrophobicContact CB-CG 4.42Å; V446-L499 HydrophobicContact CG1-CD2 4.03Å; V446-L499 HydrophobicContact CG1-CG 4.11Å; V446-L499 HydrophobicContact CG2-CD1 4.24Å; V446-L499 HydrophobicContact CG2-CD2 4.5Å; V446-L499 HydrophobicContact CG2-CG 4.05Å |
| 447 | S | 92.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 27% | 0.273 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.9 | -39.4 | 178.4 | -174.7 | 0 | 0 | 0 | 0 | 112.5 | Q397 Q443 K444 L445 S451 | Q397-S447 PolarHBondContact NE2-OG 3.15Å; Q443-S447 PolarHBondContact O-N 2.65Å; K444-S447 WeakPolarHBondContact O-CB 3.48Å; K444-S447 PolarHBondContact O-N 3.38Å; K444-S447 VanDerWaalsContact O-N 3.09Å; L445-S447 VanDerWaalsContact C-N 3.35Å; L445-S447 PolarHBondContact O-N 3.04Å; S447-S451 PolarHBondContact O-N 3.46Å; S447-S451 VanDerWaalsContact O-N 3.07Å; S447-S451 PolarHBondContact O-OG 2.87Å; S447-S451 VanDerWaalsContact O-OG 3.1Å |
| 448 | E | 94.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.1 | -42.1 | 177.1 | -71.5 | 174 | 146.9 | 0 | 0 | 111.6 | L246 F417 K444 L445 V446 S451 F452 | L246-E448 HydrophobicContact CD1-CB 3.86Å; L246-E448 HydrophobicContact CD1-CG 4.14Å; F417-E448 HydrophobicContact CD2-CB 3.53Å; F417-E448 HydrophobicContact CD2-CG 4.47Å; F417-E448 HydrophobicContact CE2-CB 3.81Å; K444-E448 VanDerWaalsContact CE-OE1 3.26Å; K444-E448 WeakPolarHBondContact CE-OE1 3.36Å; K444-E448 HydrophobicContact CG-CG 4.43Å; K444-E448 IonicContact NZ-OE1 3.52Å; K444-E448 PolarHBondContact NZ-OE1 3.47Å; K444-E448 IonicContact NZ-OE2 2.74Å; K444-E448 PolarHBondContact NZ-OE2 3.26Å; K444-E448 WeakPolarHBondContact O-CG 3.21Å; K444-E448 PolarHBondContact O-N 2.82Å; L445-E448 PolarHBondContact O-N 3.25Å; V446-E448 VanDerWaalsContact C-N 3.31Å; V446-E448 PolarHBondContact O-N 3.44Å; E448-S451 PolarHBondContact O-N 2.9Å; E448-F452 VanDerWaalsContact O-CB 3.29Å; E448-F452 WeakPolarHBondContact O-CB 3.25Å; E448-F452 PolarHBondContact O-N 2.96Å |
| 449 | C | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 175 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | L445 V446 S451 F452 L453 L470 L499 | L445-C449 WeakPolarHBondContact O-CB 3.4Å; L445-C449 PolarHBondContact O-N 2.99Å; L445-C449 PolarHBondContact O-SG 3.27Å; V446-C449 PolarHBondContact O-N 2.91Å; C449-S451 VanDerWaalsContact C-N 3.32Å; C449-S451 PolarHBondContact O-N 3.49Å; C449-F452 PolarHBondContact O-N 3.25Å; C449-L453 WeakPolarHBondContact O-CB 3.32Å; C449-L453 VanDerWaalsContact O-CG 3.28Å; C449-L453 WeakPolarHBondContact O-CG 3.44Å; C449-L453 PolarHBondContact O-N 3.23Å; C449-L470 HydrophobicContact CB-CD1 4.32Å; C449-L499 HydrophobicContact CB-CD2 3.51Å |
| 450 | V | 94.9 | Very high | 92.2 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 17% | 0.17 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | V446 R454 L499 | V446-V450 HydrophobicContact CG1-CG2 4.39Å; V446-V450 VanDerWaalsContact O-CG2 3.26Å; V446-V450 WeakPolarHBondContact O-CG2 3.26Å; V446-V450 PolarHBondContact O-N 3.04Å; V450-R454 WeakPolarHBondContact O-CG 3.46Å; V450-R454 PolarHBondContact O-N 2.88Å; V450-L499 HydrophobicContact CG2-CD2 4.28Å |
| 451 | S | 95.3 | Very high | 91.9 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -40.6 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | M378 L395 S447 E448 C449 R454 | M378-S451 WeakPolarHBondContact CG-O 3.28Å; L395-S451 VanDerWaalsContact CD2-CB 3.42Å; L395-S451 WeakPolarHBondContact CD2-OG 3.42Å; S447-S451 PolarHBondContact O-N 3.46Å; S447-S451 VanDerWaalsContact O-N 3.07Å; S447-S451 PolarHBondContact O-OG 2.87Å; S447-S451 VanDerWaalsContact O-OG 3.1Å; E448-S451 PolarHBondContact O-N 2.9Å; C449-S451 VanDerWaalsContact C-N 3.32Å; C449-S451 PolarHBondContact O-N 3.49Å; S451-R454 WeakPolarHBondContact O-CB 3.48Å; S451-R454 PolarHBondContact O-N 3.1Å |
| 452 | F | 96.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 176.5 | -179.9 | -88.1 | 0 | 0 | 0 | 111.3 | L246 H248 F417 E448 C449 R454 M455 Y463 T466 | L246-F452 HydrophobicContact CD2-CB 4.17Å; L246-F452 HydrophobicContact CD2-CD2 4.47Å; H248-F452 HydrophobicContact CB-CD2 3.85Å; H248-F452 HydrophobicContact CB-CE2 3.98Å; H248-F452 AromaticContact CG-CD2 3.95Å; H248-F452 AromaticContact CG-CE2 3.93Å; H248-F452 AromaticContact ND1-CE2 3.61Å; F417-F452 AromaticContact CE1-CD2 3.79Å; F417-F452 HydrophobicContact CE1-CD2 3.79Å; F417-F452 HydrophobicContact CE1-CE2 4.17Å; F417-F452 HydrophobicContact CE1-CG 4.16Å; F417-F452 HydrophobicContact CZ-CB 3.91Å; F417-F452 HydrophobicContact CZ-CD2 4.02Å; F417-F452 AromaticContact CZ-CG 3.91Å; F417-F452 HydrophobicContact CZ-CG 3.91Å; E448-F452 VanDerWaalsContact O-CB 3.29Å; E448-F452 WeakPolarHBondContact O-CB 3.25Å; E448-F452 PolarHBondContact O-N 2.96Å; C449-F452 PolarHBondContact O-N 3.25Å; F452-R454 PolarHBondContact O-N 3.13Å; F452-M455 HydrophobicContact CD2-SD 3.92Å; F452-M455 HydrophobicContact CE2-SD 4.31Å; F452-M455 HydrophobicContact CG-SD 4.39Å; F452-M455 VanDerWaalsContact O-CB 3.23Å; F452-M455 WeakPolarHBondContact O-CB 3.46Å; F452-M455 VanDerWaalsContact O-CG 3.24Å; F452-M455 WeakPolarHBondContact O-CG 3.39Å; F452-M455 PolarHBondContact O-N 3.07Å; F452-Y463 HydrophobicContact CD1-CD2 4.07Å; F452-Y463 HydrophobicContact CD1-CE2 4.17Å; F452-Y463 AromaticContact CE1-CD2 3.48Å; F452-Y463 HydrophobicContact CE1-CD2 3.48Å; F452-Y463 VanDerWaalsContact CE1-CD2 3.48Å; F452-Y463 AromaticContact CE1-CE2 3.97Å; F452-Y463 HydrophobicContact CE1-CE2 3.97Å; F452-Y463 HydrophobicContact CE1-CG 4.21Å; F452-Y463 AromaticContact CZ-CD2 3.91Å; F452-Y463 HydrophobicContact CZ-CD2 3.91Å; F452-Y463 HydrophobicContact CZ-CG 4.48Å; F452-Y463 WeakPolarHBondContact O-CE2 3.23Å; F452-T466 HydrophobicContact CD1-CG2 3.84Å; F452-T466 VanDerWaalsContact CE1-CB 3.45Å; F452-T466 HydrophobicContact CE1-CG2 3.39Å; F452-T466 HydrophobicContact CZ-CG2 3.79Å |
| 453 | L | 96.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -26.8 | 178.9 | -68.9 | 176.3 | 0 | 0 | 0 | 113.1 | C449 M455 E456 Y463 L467 L470 V503 A506 | C449-L453 WeakPolarHBondContact O-CB 3.32Å; C449-L453 VanDerWaalsContact O-CG 3.28Å; C449-L453 WeakPolarHBondContact O-CG 3.44Å; C449-L453 PolarHBondContact O-N 3.23Å; L453-M455 PolarHBondContact O-N 3.26Å; L453-E456 PolarHBondContact O-N 2.97Å; L453-Y463 PolarHBondContact O-OH 3.23Å; L453-L467 HydrophobicContact CD2-CB 4.3Å; L453-L467 HydrophobicContact CD2-CD1 3.78Å; L453-L470 HydrophobicContact CD1-CD1 4.03Å; L453-L470 HydrophobicContact CD2-CD1 4.16Å; L453-L470 HydrophobicContact CG-CD1 4.22Å; L453-V503 HydrophobicContact CD1-CG2 3.94Å; L453-A506 HydrophobicContact CB-CB 4.2Å; L453-A506 HydrophobicContact CD1-CB 4.45Å; L453-A506 HydrophobicContact CD2-CB 3.94Å; L453-A506 HydrophobicContact CG-CB 4.42Å |
| 454 | R | 94.4 | Very high | 91.2 | Very high | 127 Ų | 127 | 35.1 Ų | 35.1 | 48% | 0.479 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -8.6 | 172.8 | -73.8 | 176.5 | 177.4 | -164.1 | -2.9 | 113.9 | N376 M378 V450 S451 F452 E456 | N376-R454 PolarHBondContact ND2-O 3.1Å; M378-R454 HydrophobicContact CB-CB 4.14Å; M378-R454 HydrophobicContact CG-CB 4Å; V450-R454 WeakPolarHBondContact O-CG 3.46Å; V450-R454 PolarHBondContact O-N 2.88Å; S451-R454 WeakPolarHBondContact O-CB 3.48Å; S451-R454 PolarHBondContact O-N 3.1Å; F452-R454 PolarHBondContact O-N 3.13Å; R454-E456 PolarHBondContact O-N 2.93Å |
| 455 | M | 93.7 | Very high | 90.9 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 8% | 0.084 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -30.5 | 171.3 | -63.8 | 165.6 | 69 | 0 | 0 | 111.3 | L246 H248 M378 Q379 F452 L453 A457 Y463 | L246-M455 HydrophobicContact CD2-SD 4.39Å; H248-M455 VanDerWaalsContact CE1-CE 3.41Å; H248-M455 WeakPolarHBondContact CE1-CE 3.24Å; M378-M455 HydrophobicContact CB-CG 4.12Å; M378-M455 HydrophobicContact CE-CG 3.7Å; M378-M455 HydrophobicContact CE-SD 4.24Å; Q379-M455 WeakPolarHBondContact CG-O 3.41Å; Q379-M455 PolarHBondContact NE2-O 3.35Å; F452-M455 HydrophobicContact CD2-SD 3.92Å; F452-M455 HydrophobicContact CE2-SD 4.31Å; F452-M455 HydrophobicContact CG-SD 4.39Å; F452-M455 VanDerWaalsContact O-CB 3.23Å; F452-M455 WeakPolarHBondContact O-CB 3.46Å; F452-M455 VanDerWaalsContact O-CG 3.24Å; F452-M455 WeakPolarHBondContact O-CG 3.39Å; F452-M455 PolarHBondContact O-N 3.07Å; L453-M455 PolarHBondContact O-N 3.26Å; M455-A457 HydrophobicContact CB-CB 4.36Å; M455-A457 PolarHBondContact O-N 2.95Å; M455-A457 VanDerWaalsContact O-N 3.13Å; M455-Y463 HydrophobicContact CB-CD2 4.44Å; M455-Y463 HydrophobicContact CB-CE2 4.32Å |
| 456 | E | 92.4 | Very high | 90.8 | Very high | 95 Ų | 95 | 34.2 Ų | 34.2 | 44% | 0.444 | 17% | 0.172 | S | C | . | . | trans | 47.6 | 37 | -175.6 | -35.7 | 175.1 | 160 | 0 | 0 | 113 | Q379 L453 R454 Y458 | Q379-E456 VanDerWaalsContact NE2-CG 3.31Å; Q379-E456 PolarHBondContact NE2-OE2 2.94Å; L453-E456 PolarHBondContact O-N 2.97Å; R454-E456 PolarHBondContact O-N 2.93Å; E456-Y458 HydrophobicContact CB-CD2 4.17Å; E456-Y458 HydrophobicContact CB-CE2 3.64Å; E456-Y458 VanDerWaalsContact O-CD2 3.22Å; E456-Y458 WeakPolarHBondContact O-CD2 3.23Å; E456-Y458 PolarHBondContact O-N 3.28Å | ||
| 457 | A | 90.3 | Very high | 90.7 | Very high | 20 Ų | 20 | 34.1 Ų | 34.1 | 17% | 0.165 | 17% | 0.171 | C | C | . | . | trans | -80.3 | 58.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M455 N459 N460 Y463 | M455-A457 HydrophobicContact CB-CB 4.36Å; M455-A457 PolarHBondContact O-N 2.95Å; M455-A457 VanDerWaalsContact O-N 3.13Å; A457-N459 PolarHBondContact O-N 3.38Å; A457-N459 VanDerWaalsContact O-N 3.1Å; A457-N460 HydrophobicContact CB-CB 4.03Å; A457-N460 WeakPolarHBondContact O-CB 3.41Å; A457-N460 PolarHBondContact O-N 2.89Å; A457-Y463 HydrophobicContact CB-CD2 4.1Å; A457-Y463 HydrophobicContact CB-CG 3.95Å; A457-Y463 WeakPolarHBondContact O-CB 3.28Å; A457-Y463 WeakPolarHBondContact O-CD1 3.49Å | ||
| 458 | Y | 87.9 | Confident | 90.5 | Very high | 88 Ų | 88 | 34.1 Ų | 34.1 | 35% | 0.345 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.6 | -174.6 | -61.5 | -72.8 | 0 | 0 | 0 | 114.3 | E456 N460 Y463 I464 L467 A506 L508 | E456-Y458 HydrophobicContact CB-CD2 4.17Å; E456-Y458 HydrophobicContact CB-CE2 3.64Å; E456-Y458 VanDerWaalsContact O-CD2 3.22Å; E456-Y458 WeakPolarHBondContact O-CD2 3.23Å; E456-Y458 PolarHBondContact O-N 3.28Å; Y458-N460 VanDerWaalsContact C-N 3.32Å; Y458-Y463 HydrophobicContact CD1-CD1 4.39Å; Y458-Y463 AromaticContact CD1-CE1 3.75Å; Y458-Y463 HydrophobicContact CD1-CE1 3.75Å; Y458-Y463 AromaticContact CE1-CE1 3.8Å; Y458-Y463 HydrophobicContact CE1-CE1 3.8Å; Y458-Y463 HydrophobicContact CG-CE1 4.35Å; Y458-I464 HydrophobicContact CD1-CD1 3.92Å; Y458-I464 WeakPolarHBondContact O-CG1 3.34Å; Y458-L467 HydrophobicContact CE1-CD2 3.98Å; Y458-A506 WeakPolarHBondContact CE1-O 3.36Å; Y458-A506 PolarHBondContact OH-O 3.3Å; Y458-L508 HydrophobicContact CD1-CD2 3.78Å; Y458-L508 HydrophobicContact CD1-CG 4.44Å; Y458-L508 HydrophobicContact CE1-CD2 3.82Å; Y458-L508 HydrophobicContact CE1-CG 4.44Å; Y458-L508 HydrophobicContact CG-CD2 4.49Å |
| 459 | N | 81.9 | Confident | 90.4 | Very high | 117 Ų | 117 | 33.4 Ų | 33.4 | 63% | 0.626 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -8.9 | 171.7 | 62.6 | -18 | 0 | 0 | 0 | 113.4 | A457 | A457-N459 PolarHBondContact O-N 3.38Å; A457-N459 VanDerWaalsContact O-N 3.1Å |
| 460 | N | 84.5 | Confident | 90.4 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 17% | 0.166 | 17% | 0.168 | C | C | . | . | trans | -99.3 | 123.5 | 179.7 | -174.4 | -78.1 | 0 | 0 | 0 | 111 | G39 A457 Y458 S462 Y463 I464 | G39-N460 PolarHBondContact O-ND2 3.13Å; A457-N460 HydrophobicContact CB-CB 4.03Å; A457-N460 WeakPolarHBondContact O-CB 3.41Å; A457-N460 PolarHBondContact O-N 2.89Å; Y458-N460 VanDerWaalsContact C-N 3.32Å; N460-S462 PolarHBondContact O-N 2.74Å; N460-S462 WeakPolarHBondContact OD1-CA 3.3Å; N460-S462 VanDerWaalsContact OD1-CB 3.31Å; N460-S462 WeakPolarHBondContact OD1-CB 3.14Å; N460-S462 PolarHBondContact OD1-N 2.96Å; N460-Y463 WeakPolarHBondContact O-CB 3.3Å; N460-Y463 PolarHBondContact O-N 2.83Å; N460-Y463 VanDerWaalsContact O-N 3.13Å; N460-Y463 PolarHBondContact OD1-N 3.5Å; N460-Y463 VanDerWaalsContact OD1-N 3.09Å; N460-I464 PolarHBondContact O-N 2.91Å | ||
| 461 | I | 83.3 | Confident | 90.3 | Very high | 26 Ų | 26 | 32.9 Ų | 32.9 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | -177.9 | -65.9 | -61.4 | 0 | 0 | 0 | 112.8 | F42 I207 Y463 I464 Q465 | F42-I461 HydrophobicContact CB-CD1 4.24Å; F42-I461 HydrophobicContact CB-CG1 3.64Å; I207-I461 HydrophobicContact CD1-CD1 4.2Å; I207-I461 HydrophobicContact CG2-CD1 4.39Å; I461-Y463 PolarHBondContact O-N 2.89Å; I461-I464 PolarHBondContact O-N 2.86Å; I461-Q465 HydrophobicContact CG2-CG 4.1Å; I461-Q465 WeakPolarHBondContact O-CB 3.23Å; I461-Q465 WeakPolarHBondContact O-CG 3.45Å; I461-Q465 PolarHBondContact O-N 3.17Å |
| 462 | S | 84 | Confident | 90.1 | Very high | 19 Ų | 19 | 35 Ų | 35 | 13% | 0.133 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -32.3 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | R418 N460 T466 | R418-S462 PolarHBondContact NH1-OG 3.32Å; N460-S462 PolarHBondContact O-N 2.74Å; N460-S462 WeakPolarHBondContact OD1-CA 3.3Å; N460-S462 VanDerWaalsContact OD1-CB 3.31Å; N460-S462 WeakPolarHBondContact OD1-CB 3.14Å; N460-S462 PolarHBondContact OD1-N 2.96Å; S462-T466 WeakPolarHBondContact O-CB 3.4Å; S462-T466 PolarHBondContact O-N 3.46Å; S462-T466 PolarHBondContact O-OG1 2.73Å |
| 463 | Y | 89.6 | Confident | 90 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.1 | -51 | 172.9 | 178.2 | -89.5 | 0 | 0 | 0 | 111.1 | F452 L453 M455 A457 Y458 N460 I461 Q465 T466 L467 | F452-Y463 HydrophobicContact CD1-CD2 4.07Å; F452-Y463 HydrophobicContact CD1-CE2 4.17Å; F452-Y463 AromaticContact CE1-CD2 3.48Å; F452-Y463 HydrophobicContact CE1-CD2 3.48Å; F452-Y463 VanDerWaalsContact CE1-CD2 3.48Å; F452-Y463 AromaticContact CE1-CE2 3.97Å; F452-Y463 HydrophobicContact CE1-CE2 3.97Å; F452-Y463 HydrophobicContact CE1-CG 4.21Å; F452-Y463 AromaticContact CZ-CD2 3.91Å; F452-Y463 HydrophobicContact CZ-CD2 3.91Å; F452-Y463 HydrophobicContact CZ-CG 4.48Å; F452-Y463 WeakPolarHBondContact O-CE2 3.23Å; L453-Y463 PolarHBondContact O-OH 3.23Å; M455-Y463 HydrophobicContact CB-CD2 4.44Å; M455-Y463 HydrophobicContact CB-CE2 4.32Å; A457-Y463 HydrophobicContact CB-CD2 4.1Å; A457-Y463 HydrophobicContact CB-CG 3.95Å; A457-Y463 WeakPolarHBondContact O-CB 3.28Å; A457-Y463 WeakPolarHBondContact O-CD1 3.49Å; Y458-Y463 HydrophobicContact CD1-CD1 4.39Å; Y458-Y463 AromaticContact CD1-CE1 3.75Å; Y458-Y463 HydrophobicContact CD1-CE1 3.75Å; Y458-Y463 AromaticContact CE1-CE1 3.8Å; Y458-Y463 HydrophobicContact CE1-CE1 3.8Å; Y458-Y463 HydrophobicContact CG-CE1 4.35Å; N460-Y463 WeakPolarHBondContact O-CB 3.3Å; N460-Y463 PolarHBondContact O-N 2.83Å; N460-Y463 VanDerWaalsContact O-N 3.13Å; N460-Y463 PolarHBondContact OD1-N 3.5Å; N460-Y463 VanDerWaalsContact OD1-N 3.09Å; I461-Y463 PolarHBondContact O-N 2.89Å; Y463-Q465 PolarHBondContact O-N 3.5Å; Y463-T466 PolarHBondContact O-N 2.88Å; Y463-T466 VanDerWaalsContact O-N 3.16Å; Y463-L467 HydrophobicContact CE1-CD2 4.16Å; Y463-L467 PolarHBondContact O-N 2.93Å |
| 464 | I | 86.8 | Confident | 90 | Very high | 50 Ų | 50 | 34.7 Ų | 34.7 | 26% | 0.256 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59 | -44 | 179.3 | -65.5 | -61.9 | 0 | 0 | 0 | 111.9 | Y458 N460 I461 T466 L467 S468 L508 | Y458-I464 HydrophobicContact CD1-CD1 3.92Å; Y458-I464 WeakPolarHBondContact O-CG1 3.34Å; N460-I464 PolarHBondContact O-N 2.91Å; I461-I464 PolarHBondContact O-N 2.86Å; I464-T466 VanDerWaalsContact C-N 3.32Å; I464-T466 PolarHBondContact O-N 3.47Å; I464-L467 PolarHBondContact O-N 3.39Å; I464-S468 WeakPolarHBondContact O-CB 3.35Å; I464-S468 PolarHBondContact O-N 2.96Å; I464-L508 HydrophobicContact CD1-CD1 4.48Å |
| 465 | Q | 86 | Confident | 89.9 | Confident | 15 Ų | 15 | 30.8 Ų | 30.8 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | 177 | -74.1 | -179.4 | -9.4 | 0 | 0 | 112.3 | T213 I461 Y463 S468 L469 | T213-Q465 PolarHBondContact OG1-OE1 3.23Å; T213-Q465 VanDerWaalsContact OG1-OE1 3.13Å; I461-Q465 HydrophobicContact CG2-CG 4.1Å; I461-Q465 WeakPolarHBondContact O-CB 3.23Å; I461-Q465 WeakPolarHBondContact O-CG 3.45Å; I461-Q465 PolarHBondContact O-N 3.17Å; Y463-Q465 PolarHBondContact O-N 3.5Å; Q465-S468 PolarHBondContact O-N 3.33Å; Q465-L469 WeakPolarHBondContact O-CB 3.36Å; Q465-L469 PolarHBondContact O-N 3.11Å |
| 466 | T | 91 | Very high | 89.9 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69 | -41.8 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | F417 L421 F452 S462 Y463 I464 L469 L470 | F417-T466 HydrophobicContact CZ-CG2 4.49Å; L421-T466 HydrophobicContact CD2-CG2 3.65Å; F452-T466 HydrophobicContact CD1-CG2 3.84Å; F452-T466 VanDerWaalsContact CE1-CB 3.45Å; F452-T466 HydrophobicContact CE1-CG2 3.39Å; F452-T466 HydrophobicContact CZ-CG2 3.79Å; S462-T466 WeakPolarHBondContact O-CB 3.4Å; S462-T466 PolarHBondContact O-N 3.46Å; S462-T466 PolarHBondContact O-OG1 2.73Å; Y463-T466 PolarHBondContact O-N 2.88Å; Y463-T466 VanDerWaalsContact O-N 3.16Å; I464-T466 VanDerWaalsContact C-N 3.32Å; I464-T466 PolarHBondContact O-N 3.47Å; T466-L469 PolarHBondContact O-N 3.36Å; T466-L470 HydrophobicContact CG2-CD1 4.47Å; T466-L470 WeakPolarHBondContact O-CG 3.29Å; T466-L470 PolarHBondContact O-N 3.27Å |
| 467 | L | 92.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 173.9 | 172.3 | 61.1 | 0 | 0 | 0 | 111.5 | L453 Y458 Y463 I464 L470 T471 A506 | L453-L467 HydrophobicContact CD2-CB 4.3Å; L453-L467 HydrophobicContact CD2-CD1 3.78Å; Y458-L467 HydrophobicContact CE1-CD2 3.98Å; Y463-L467 HydrophobicContact CE1-CD2 4.16Å; Y463-L467 PolarHBondContact O-N 2.93Å; I464-L467 PolarHBondContact O-N 3.39Å; L467-L470 PolarHBondContact O-N 2.97Å; L467-T471 WeakPolarHBondContact O-CB 3.44Å; L467-T471 PolarHBondContact O-N 2.95Å; L467-T471 PolarHBondContact O-OG1 2.83Å; L467-A506 HydrophobicContact CD1-CB 3.83Å; L467-A506 VanDerWaalsContact CD2-O 3.25Å; L467-A506 WeakPolarHBondContact CD2-O 3.21Å |
| 468 | S | 89.3 | Confident | 90 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 27% | 0.266 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 175.2 | -166.5 | 0 | 0 | 0 | 0 | 110.5 | I464 Q465 L470 T471 D472 | I464-S468 WeakPolarHBondContact O-CB 3.35Å; I464-S468 PolarHBondContact O-N 2.96Å; Q465-S468 PolarHBondContact O-N 3.33Å; S468-L470 PolarHBondContact O-N 2.97Å; S468-T471 CarbonylContact O-C 3.56Å; S468-T471 WeakPolarHBondContact O-CA 2.95Å; S468-T471 WeakPolarHBondContact O-CB 3.26Å; S468-T471 PolarHBondContact O-N 3.34Å; S468-T471 VanDerWaalsContact O-N 3.09Å; S468-D472 WeakPolarHBondContact O-CB 3.49Å; S468-D472 PolarHBondContact O-N 3.24Å; S468-D472 PolarHBondContact OG-OD2 3.34Å |
| 469 | L | 92.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.6 | -49.1 | 176.3 | 165.8 | 54.8 | 0 | 0 | 0 | 112.3 | W211 V214 L421 A425 L429 Q465 T466 T471 D472 I473 | W211-L469 HydrophobicContact CB-CB 3.8Å; W211-L469 HydrophobicContact CB-CD1 3.25Å; W211-L469 HydrophobicContact CB-CD2 4.01Å; W211-L469 HydrophobicContact CB-CG 3.84Å; W211-L469 HydrophobicContact CD2-CD1 4.3Å; W211-L469 HydrophobicContact CE3-CD1 4.49Å; W211-L469 HydrophobicContact CG-CD1 3.82Å; V214-L469 HydrophobicContact CB-CD2 4.34Å; V214-L469 HydrophobicContact CG2-CD2 3.88Å; L421-L469 HydrophobicContact CD1-CD2 4.3Å; L421-L469 HydrophobicContact CD2-CD2 3.98Å; L421-L469 HydrophobicContact CG-CD2 3.83Å; A425-L469 HydrophobicContact CB-CD1 3.65Å; A425-L469 HydrophobicContact CB-CD2 4.27Å; A425-L469 HydrophobicContact CB-CG 4.5Å; L429-L469 HydrophobicContact CD1-CD1 4.36Å; Q465-L469 WeakPolarHBondContact O-CB 3.36Å; Q465-L469 PolarHBondContact O-N 3.11Å; T466-L469 PolarHBondContact O-N 3.36Å; L469-T471 VanDerWaalsContact C-N 3.29Å; L469-T471 PolarHBondContact O-N 3.34Å; L469-D472 PolarHBondContact O-N 3.32Å; L469-I473 HydrophobicContact CD1-CD1 3.69Å; L469-I473 HydrophobicContact CD1-CG1 3.95Å; L469-I473 HydrophobicContact CG-CD1 4.15Å; L469-I473 WeakPolarHBondContact O-CG1 3.46Å; L469-I473 PolarHBondContact O-N 3.19Å |
| 470 | L | 95.2 | Very high | 90.8 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.6 | -38.3 | 179 | -69.2 | 173.1 | 0 | 0 | 0 | 111.7 | L421 C449 L453 T466 L467 S468 L474 V503 | L421-L470 HydrophobicContact CD1-CD2 3.79Å; C449-L470 HydrophobicContact CB-CD1 4.32Å; L453-L470 HydrophobicContact CD1-CD1 4.03Å; L453-L470 HydrophobicContact CD2-CD1 4.16Å; L453-L470 HydrophobicContact CG-CD1 4.22Å; T466-L470 HydrophobicContact CG2-CD1 4.47Å; T466-L470 WeakPolarHBondContact O-CG 3.29Å; T466-L470 PolarHBondContact O-N 3.27Å; L467-L470 PolarHBondContact O-N 2.97Å; S468-L470 PolarHBondContact O-N 2.97Å; L470-L474 WeakPolarHBondContact O-CG 3.07Å; L470-L474 PolarHBondContact O-N 2.82Å; L470-V503 HydrophobicContact CB-CG1 4.24Å; L470-V503 HydrophobicContact CB-CG2 3.88Å; L470-V503 HydrophobicContact CD1-CG2 4.4Å |
| 471 | T | 93.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 8% | 0.08 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | L467 S468 L469 L474 K475 L513 | L467-T471 WeakPolarHBondContact O-CB 3.44Å; L467-T471 PolarHBondContact O-N 2.95Å; L467-T471 PolarHBondContact O-OG1 2.83Å; S468-T471 CarbonylContact O-C 3.56Å; S468-T471 WeakPolarHBondContact O-CA 2.95Å; S468-T471 WeakPolarHBondContact O-CB 3.26Å; S468-T471 PolarHBondContact O-N 3.34Å; S468-T471 VanDerWaalsContact O-N 3.09Å; L469-T471 VanDerWaalsContact C-N 3.29Å; L469-T471 PolarHBondContact O-N 3.34Å; T471-L474 PolarHBondContact O-N 3.2Å; T471-L474 VanDerWaalsContact O-N 3.15Å; T471-K475 HydrophobicContact CG2-CD 4.19Å; T471-K475 HydrophobicContact CG2-CG 4.44Å; T471-K475 WeakPolarHBondContact O-CG 3.41Å; T471-K475 PolarHBondContact O-N 3.3Å; T471-L513 HydrophobicContact CG2-CD1 4.15Å; T471-L513 HydrophobicContact CG2-CD2 4.43Å |
| 472 | D | 91.4 | Very high | 91.8 | Very high | 52 Ų | 52 | 27.7 Ų | 27.7 | 28% | 0.278 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.6 | -39.9 | 179.5 | -66.9 | -28.9 | 0 | 0 | 0 | 111.5 | S468 L469 L474 K475 N476 | S468-D472 WeakPolarHBondContact O-CB 3.49Å; S468-D472 PolarHBondContact O-N 3.24Å; S468-D472 PolarHBondContact OG-OD2 3.34Å; L469-D472 PolarHBondContact O-N 3.32Å; D472-L474 VanDerWaalsContact C-N 3.31Å; D472-L474 PolarHBondContact O-N 2.95Å; D472-K475 PolarHBondContact O-N 3.43Å; D472-N476 WeakPolarHBondContact O-CB 3.29Å; D472-N476 PolarHBondContact O-N 2.86Å; D472-N476 PolarHBondContact O-ND2 2.83Å |
| 473 | I | 94.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.1 | -48.2 | 171.2 | -73.5 | 167.4 | 0 | 0 | 0 | 110.2 | F424 A425 A428 L429 L469 V477 L496 | F424-I473 HydrophobicContact CD1-CD1 4.17Å; F424-I473 HydrophobicContact CE1-CD1 4.3Å; F424-I473 HydrophobicContact CE1-CG2 4.4Å; A425-I473 HydrophobicContact CB-CD1 4.09Å; A428-I473 HydrophobicContact CB-CG1 4.29Å; A428-I473 HydrophobicContact CB-CG2 3.95Å; L429-I473 HydrophobicContact CD1-CG1 4.14Å; L429-I473 HydrophobicContact CD2-CG1 4.28Å; L429-I473 HydrophobicContact CG-CG1 4.1Å; L469-I473 HydrophobicContact CD1-CD1 3.69Å; L469-I473 HydrophobicContact CD1-CG1 3.95Å; L469-I473 HydrophobicContact CG-CD1 4.15Å; L469-I473 WeakPolarHBondContact O-CG1 3.46Å; L469-I473 PolarHBondContact O-N 3.19Å; I473-V477 HydrophobicContact CG2-CG2 4.41Å; I473-V477 VanDerWaalsContact O-CB 3.29Å; I473-V477 WeakPolarHBondContact O-CB 3.34Å; I473-V477 WeakPolarHBondContact O-CG2 3.4Å; I473-V477 PolarHBondContact O-N 2.99Å; I473-L496 HydrophobicContact CG2-CD2 3.37Å |
| 474 | L | 94.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 179.5 | -69.1 | -173 | 0 | 0 | 0 | 112.8 | L470 T471 D472 G478 I479 L496 V503 L513 I517 | L470-L474 WeakPolarHBondContact O-CG 3.07Å; L470-L474 PolarHBondContact O-N 2.82Å; T471-L474 PolarHBondContact O-N 3.2Å; T471-L474 VanDerWaalsContact O-N 3.15Å; D472-L474 VanDerWaalsContact C-N 3.31Å; D472-L474 PolarHBondContact O-N 2.95Å; L474-G478 WeakPolarHBondContact O-CA 3.44Å; L474-G478 PolarHBondContact O-N 2.97Å; L474-I479 HydrophobicContact CD2-CD1 3.5Å; L474-I479 HydrophobicContact CD2-CG1 4.19Å; L474-L496 HydrophobicContact CD2-CB 4.43Å; L474-L496 HydrophobicContact CD2-CD2 4.11Å; L474-V503 HydrophobicContact CD1-CB 3.59Å; L474-V503 HydrophobicContact CD1-CG1 3.63Å; L474-V503 HydrophobicContact CD1-CG2 4.02Å; L474-V503 HydrophobicContact CG-CG1 4.49Å; L474-L513 HydrophobicContact CB-CD1 4.06Å; L474-I517 HydrophobicContact CD1-CD1 4.11Å; L474-I517 HydrophobicContact CD1-CG1 4.45Å |
| 475 | K | 93.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 38.2 Ų | 38.2 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -44.2 | 177.8 | -72 | -179.2 | 177.2 | -179.6 | 0 | 112.1 | T471 D472 E512 L513 Y516 | T471-K475 HydrophobicContact CG2-CD 4.19Å; T471-K475 HydrophobicContact CG2-CG 4.44Å; T471-K475 WeakPolarHBondContact O-CG 3.41Å; T471-K475 PolarHBondContact O-N 3.3Å; D472-K475 PolarHBondContact O-N 3.43Å; K475-E512 IonicContact NZ-OE1 2.76Å; K475-E512 PolarHBondContact NZ-OE1 3.36Å; K475-E512 IonicContact NZ-OE2 2.72Å; K475-E512 PolarHBondContact NZ-OE2 3.07Å; K475-L513 HydrophobicContact CG-CD1 3.92Å; K475-Y516 HydrophobicContact CB-CD1 4.2Å; K475-Y516 HydrophobicContact CB-CD2 4.45Å; K475-Y516 HydrophobicContact CB-CE1 4.27Å; K475-Y516 HydrophobicContact CB-CG 4.29Å; K475-Y516 HydrophobicContact CD-CE2 4.41Å; K475-Y516 HydrophobicContact CG-CD1 4.5Å; K475-Y516 HydrophobicContact CG-CD2 3.87Å; K475-Y516 HydrophobicContact CG-CE2 3.98Å; K475-Y516 HydrophobicContact CG-CG 4.13Å; K475-Y516 WeakPolarHBondContact O-CD1 3.49Å; K475-Y516 WeakPolarHBondContact O-CE1 3.23Å |
| 476 | N | 92.3 | Very high | 93.2 | Very high | 122 Ų | 122 | 41.5 Ų | 41.5 | 65% | 0.652 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -78.2 | -39.5 | -175.7 | -75.3 | -80.9 | 0 | 0 | 0 | 113 | L429 D472 | L429-N476 HydrophobicContact CD2-CB 3.71Å; D472-N476 WeakPolarHBondContact O-CB 3.29Å; D472-N476 PolarHBondContact O-N 2.86Å; D472-N476 PolarHBondContact O-ND2 2.83Å |
| 477 | V | 93.6 | Very high | 93.5 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -88.7 | -34.6 | -177.9 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | A428 I473 L496 | A428-V477 HydrophobicContact CB-CG2 4.11Å; A428-V477 VanDerWaalsContact O-CG2 3.3Å; A428-V477 WeakPolarHBondContact O-CG2 3.49Å; I473-V477 HydrophobicContact CG2-CG2 4.41Å; I473-V477 VanDerWaalsContact O-CB 3.29Å; I473-V477 WeakPolarHBondContact O-CB 3.34Å; I473-V477 WeakPolarHBondContact O-CG2 3.4Å; I473-V477 PolarHBondContact O-N 2.99Å; V477-L496 HydrophobicContact CB-CD1 4.16Å; V477-L496 HydrophobicContact CG1-CD1 3.58Å |
| 478 | G | 91.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 12% | 0.124 | 22% | 0.224 | C | C | . | . | trans | 70.9 | 174.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L474 | L474-G478 WeakPolarHBondContact O-CA 3.44Å; L474-G478 PolarHBondContact O-N 2.97Å | ||
| 479 | I | 94.3 | Very high | 94 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -106.1 | 132.5 | 173.8 | -62.6 | -58.1 | 0 | 0 | 0 | 110.8 | L474 Q481 L496 L497 A500 Y516 I517 | L474-I479 HydrophobicContact CD2-CD1 3.5Å; L474-I479 HydrophobicContact CD2-CG1 4.19Å; I479-Q481 PolarHBondContact O-N 2.98Å; I479-L496 HydrophobicContact CD1-CB 3.59Å; I479-L496 WeakPolarHBondContact CD1-O 3.47Å; I479-L497 HydrophobicContact CG2-CD1 3.8Å; I479-A500 HydrophobicContact CD1-CB 4.32Å; I479-A500 HydrophobicContact CG1-CB 4.28Å; I479-Y516 PolarHBondContact N-O 2.87Å; I479-I517 HydrophobicContact CG1-CB 4.38Å; I479-I517 HydrophobicContact CG1-CG1 4.27Å; I479-I517 HydrophobicContact CG1-CG2 4.15Å | ||
| 480 | Q | 93.7 | Very high | 94.1 | Very high | 52 Ų | 52 | 54.5 Ų | 54.5 | 24% | 0.243 | 27% | 0.269 | C | S | . | . | trans | -67.7 | 122.5 | 166.9 | -179.3 | -177.8 | -17.9 | 0 | 0 | 109.1 | A482 N486 V488 | Q480-A482 PolarHBondContact O-N 3.2Å; Q480-N486 PolarHBondContact NE2-ND2 3.42Å; Q480-N486 PolarHBondContact NE2-OD1 3.27Å; Q480-N486 VanDerWaalsContact NE2-OD1 3.15Å; Q480-V488 HydrophobicContact CB-CG2 3.99Å; Q480-V488 HydrophobicContact CG-CG2 3.89Å | ||
| 481 | Q | 92.4 | Very high | 94.1 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | trans | -68 | 105.9 | 174.8 | -61.4 | -56.5 | -54.5 | 0 | 0 | 109.3 | I479 I517 K519 | I479-Q481 PolarHBondContact O-N 2.98Å; Q481-I517 PolarHBondContact NE2-O 3.02Å; Q481-K519 HydrophobicContact CG-CB 4.28Å; Q481-K519 HydrophobicContact CG-CD 4.39Å; Q481-K519 HydrophobicContact CG-CG 4.4Å | ||
| 482 | A | 94.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 21% | 0.207 | 29% | 0.291 | C | S | . | . | trans | -73.7 | 128.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q480 V488 L497 E587 | Q480-A482 PolarHBondContact O-N 3.2Å; A482-V488 HydrophobicContact CB-CG2 3.89Å; A482-L497 HydrophobicContact CB-CD2 3.83Å; A482-E587 CarbonylContact C-O 3.23Å; A482-E587 VanDerWaalsContact C-O 3.28Å | ||
| 483 | S | 94.3 | Very high | 94.3 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | trans | -141.4 | 177.4 | 169.6 | 86.1 | 0 | 0 | 0 | 0 | 110.4 | E485 N486 P487 E587 | S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 3.11Å; S483-E485 PolarHBondContact OG-N 3.24Å; S483-E485 PolarHBondContact OG-OE2 3.23Å; S483-N486 PolarHBondContact N-O 3.18Å; S483-N486 CarbonylContact O-C 3.55Å; S483-N486 VanDerWaalsContact O-C 3.25Å; S483-N486 PolarHBondContact OG-N 3.17Å; S483-P487 WeakPolarHBondContact O-CA 3.44Å; S483-P487 VanDerWaalsContact O-N 3.16Å; S483-E587 CarbonylContact C-O 3.55Å; S483-E587 WeakPolarHBondContact CA-O 3.25Å; S483-E587 PolarHBondContact N-O 3.04Å | ||
| 484 | K | 93.3 | Very high | 94.4 | Very high | 98 Ų | 98 | 58.2 Ų | 58.2 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -62 | -40.4 | 173.1 | -173.2 | 174.9 | -178.5 | 174.7 | 0 | 111.9 | V716 | K484-V716 HydrophobicContact CB-CG2 3.75Š|
| 485 | E | 94.5 | Very high | 94.4 | Very high | 157 Ų | 157 | 58.1 Ų | 58.1 | 73% | 0.734 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -76.2 | -36.9 | -179.7 | -56.9 | 68.3 | -144.7 | 0 | 0 | 111.4 | S483 P487 | S483-E485 VanDerWaalsContact C-N 3.3Å; S483-E485 PolarHBondContact O-N 3.11Å; S483-E485 PolarHBondContact OG-N 3.24Å; S483-E485 PolarHBondContact OG-OE2 3.23Å; E485-P487 VanDerWaalsContact O-CD 3.32Å; E485-P487 WeakPolarHBondContact O-CD 3.22Å |
| 486 | N | 94.8 | Very high | 94.6 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.444 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -122.3 | 70.9 | 179 | -170.8 | 32.2 | 0 | 0 | 0 | 112.3 | Q480 S483 | Q480-N486 PolarHBondContact NE2-ND2 3.42Å; Q480-N486 PolarHBondContact NE2-OD1 3.27Å; Q480-N486 VanDerWaalsContact NE2-OD1 3.15Å; S483-N486 PolarHBondContact N-O 3.18Å; S483-N486 CarbonylContact O-C 3.55Å; S483-N486 VanDerWaalsContact O-C 3.25Å; S483-N486 PolarHBondContact OG-N 3.17Å |
| 487 | P | 97 | Very high | 94.8 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | trans | -73.3 | 141.3 | -179.2 | 29.9 | -37.3 | 0 | 0 | 0 | 112.3 | S483 E485 K489 K585 L586 E587 | S483-P487 WeakPolarHBondContact O-CA 3.44Å; S483-P487 VanDerWaalsContact O-N 3.16Å; E485-P487 VanDerWaalsContact O-CD 3.32Å; E485-P487 WeakPolarHBondContact O-CD 3.22Å; P487-K489 PolarHBondContact O-N 3.09Å; P487-K585 HydrophobicContact CB-CD 4.13Å; P487-K585 HydrophobicContact CB-CG 3.72Å; P487-K585 HydrophobicContact CG-CD 4.44Å; P487-K585 HydrophobicContact CG-CG 4.38Å; P487-L586 CarbonylContact C-O 3.57Å; P487-L586 VanDerWaalsContact CA-O 3.3Å; P487-L586 WeakPolarHBondContact CA-O 3.25Å; P487-E587 HydrophobicContact CB-CG 4Å | ||
| 488 | V | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 122 | 171 | 174.7 | 0 | 0 | 0 | 0 | 109.4 | Q480 A482 E493 H494 L497 K585 L586 | Q480-V488 HydrophobicContact CB-CG2 3.99Å; Q480-V488 HydrophobicContact CG-CG2 3.89Å; A482-V488 HydrophobicContact CB-CG2 3.89Å; V488-E493 VanDerWaalsContact CG1-C 3.49Å; V488-E493 HydrophobicContact CG1-CB 3.8Å; V488-H494 HydrophobicContact CG1-CB 4.04Å; V488-H494 VanDerWaalsContact CG1-N 3.34Å; V488-L497 HydrophobicContact CB-CD2 4.28Å; V488-L497 HydrophobicContact CG2-CD2 4.04Å; V488-K585 WeakPolarHBondContact O-CA 3.39Å; V488-L586 HydrophobicContact CB-CB 4.33Å; V488-L586 PolarHBondContact N-O 3.28Å; V488-L586 PolarHBondContact O-N 3.3Å |
| 489 | K | 95.4 | Very high | 95.1 | Very high | 137 Ų | 137 | 48.9 Ų | 48.9 | 60% | 0.596 | 24% | 0.237 | S | C | * | . | trans | -128.5 | -28 | -177.3 | -66.5 | 173.3 | -179.7 | 166.6 | 0 | 113.7 | P487 K585 | P487-K489 PolarHBondContact O-N 3.09Å; K489-K585 HydrophobicContact CG-CB 4.41Å; K489-K585 HydrophobicContact CG-CG 4.04Å | ||
| 490 | R | 94.1 | Very high | 95.2 | Very high | 168 Ų | 168 | 48.7 Ų | 48.7 | 63% | 0.634 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -75.2 | 138.8 | -175.5 | -71.6 | 178.9 | 179.1 | 179.7 | -1.2 | 109.7 | K492 E493 H494 | R490-K492 PolarHBondContact O-N 3.34Å; R490-E493 HydrophobicContact CB-CB 4.44Å; R490-E493 WeakPolarHBondContact CB-OE2 3.38Å; R490-E493 WeakPolarHBondContact CD-OE1 3.22Å; R490-E493 IonicContact NH1-OE1 3.8Å; R490-E493 PolarHBondContact O-N 3.2Å; R490-H494 WeakPolarHBondContact O-CB 3.13Å; R490-H494 PolarHBondContact O-N 3.47Å |
| 491 | P | 94.3 | Very high | 95.3 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 34% | 0.344 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57 | -42.4 | -173.6 | -27 | 34.7 | 0 | 0 | 0 | 114.2 | L442 H494 A495 | L442-P491 HydrophobicContact CD1-CB 3.58Å; P491-H494 PolarHBondContact O-N 3.36Å; P491-A495 WeakPolarHBondContact O-CB 3.47Å; P491-A495 PolarHBondContact O-N 3.24Å |
| 492 | K | 94.5 | Very high | 95.4 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 22% | 0.217 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.4 | -54.8 | 177.1 | 177.9 | -178.7 | 63.6 | -176.5 | 0 | 111.5 | F424 R490 H494 A495 L496 | F424-K492 HydrophobicContact CE2-CG 4.26Å; R490-K492 PolarHBondContact O-N 3.34Å; K492-H494 VanDerWaalsContact C-N 3.26Å; K492-H494 PolarHBondContact O-N 2.89Å; K492-A495 WeakPolarHBondContact O-CB 3.35Å; K492-A495 PolarHBondContact O-N 3.28Å; K492-A495 VanDerWaalsContact O-N 3.12Å; K492-L496 HydrophobicContact CG-CD1 4.06Å; K492-L496 HydrophobicContact CG-CG 4.47Å; K492-L496 WeakPolarHBondContact O-CG 3.15Å; K492-L496 PolarHBondContact O-N 2.76Å |
| 493 | E | 95.5 | Very high | 95.5 | Very high | 32 Ų | 32 | 45 Ų | 45 | 15% | 0.15 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -35.1 | -178.1 | -68.4 | 83.7 | 161.3 | 0 | 0 | 111.3 | V488 R490 L497 | V488-E493 VanDerWaalsContact CG1-C 3.49Å; V488-E493 HydrophobicContact CG1-CB 3.8Å; R490-E493 HydrophobicContact CB-CB 4.44Å; R490-E493 WeakPolarHBondContact CB-OE2 3.38Å; R490-E493 WeakPolarHBondContact CD-OE1 3.22Å; R490-E493 IonicContact NH1-OE1 3.8Å; R490-E493 PolarHBondContact O-N 3.2Å; E493-L497 WeakPolarHBondContact O-CB 3.44Å; E493-L497 PolarHBondContact O-N 3.23Å |
| 494 | H | 96.1 | Very high | 95.6 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.06 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.5 | -45.7 | 172.9 | -172.3 | -59.8 | 0 | 0 | 0 | 111.7 | Q443 V488 R490 P491 K492 L497 S498 K583 K584 L586 | Q443-H494 PolarHBondContact NE2-CE1 2.7Å; Q443-H494 PolarHBondContact NE2-ND1 2.89Å; V488-H494 HydrophobicContact CG1-CB 4.04Å; V488-H494 VanDerWaalsContact CG1-N 3.34Å; R490-H494 WeakPolarHBondContact O-CB 3.13Å; R490-H494 PolarHBondContact O-N 3.47Å; P491-H494 PolarHBondContact O-N 3.36Å; K492-H494 VanDerWaalsContact C-N 3.26Å; K492-H494 PolarHBondContact O-N 2.89Å; H494-L497 PolarHBondContact O-N 3.33Å; H494-S498 PolarHBondContact ND1-OG 3.05Å; H494-S498 WeakPolarHBondContact O-CB 2.9Å; H494-S498 PolarHBondContact O-N 2.68Å; H494-S498 PolarHBondContact O-OG 2.92Å; H494-K583 PolarHBondContact NE2-O 3.41Å; H494-K584 PolarHBondContact CD2-O 3.32Å; H494-L586 VanDerWaalsContact CD2-CD1 3.46Å; H494-L586 WeakPolarHBondContact CD2-CD1 3.41Å; H494-L586 VanDerWaalsContact NE2-CD1 3.29Å; H494-L586 WeakPolarHBondContact NE2-CD1 3.42Å; H494-L586 WeakPolarHBondContact NE2-CG 3.02Å |
| 495 | A | 96.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F424 L442 V446 P491 K492 S498 L499 | F424-A495 HydrophobicContact CE2-CB 4.29Å; F424-A495 HydrophobicContact CZ-CB 4.2Å; L442-A495 HydrophobicContact CB-CB 4.39Å; V446-A495 HydrophobicContact CG2-CB 3.69Å; P491-A495 WeakPolarHBondContact O-CB 3.47Å; P491-A495 PolarHBondContact O-N 3.24Å; K492-A495 WeakPolarHBondContact O-CB 3.35Å; K492-A495 PolarHBondContact O-N 3.28Å; K492-A495 VanDerWaalsContact O-N 3.12Å; A495-S498 PolarHBondContact O-N 3.21Å; A495-L499 WeakPolarHBondContact O-CG 3.2Å; A495-L499 PolarHBondContact O-N 2.96Å |
| 496 | L | 96.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 177.5 | -65.4 | 174.3 | 0 | 0 | 0 | 112 | F424 I473 L474 V477 I479 K492 S498 L499 A500 | F424-L496 HydrophobicContact CE1-CD2 4.05Å; F424-L496 HydrophobicContact CZ-CD2 3.75Å; F424-L496 HydrophobicContact CZ-CG 4.16Å; I473-L496 HydrophobicContact CG2-CD2 3.37Å; L474-L496 HydrophobicContact CD2-CB 4.43Å; L474-L496 HydrophobicContact CD2-CD2 4.11Å; V477-L496 HydrophobicContact CB-CD1 4.16Å; V477-L496 HydrophobicContact CG1-CD1 3.58Å; I479-L496 HydrophobicContact CD1-CB 3.59Å; I479-L496 WeakPolarHBondContact CD1-O 3.47Å; K492-L496 HydrophobicContact CG-CD1 4.06Å; K492-L496 HydrophobicContact CG-CG 4.47Å; K492-L496 WeakPolarHBondContact O-CG 3.15Å; K492-L496 PolarHBondContact O-N 2.76Å; L496-S498 PolarHBondContact O-N 2.96Å; L496-L499 PolarHBondContact O-N 3.4Å; L496-L499 VanDerWaalsContact O-N 3.16Å; L496-A500 PolarHBondContact O-N 2.71Å |
| 497 | L | 96.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.1 | -36.3 | 176.8 | -179.6 | 62.1 | 0 | 0 | 0 | 112 | I479 A482 V488 E493 H494 L586 A589 W609 | I479-L497 HydrophobicContact CG2-CD1 3.8Å; A482-L497 HydrophobicContact CB-CD2 3.83Å; V488-L497 HydrophobicContact CB-CD2 4.28Å; V488-L497 HydrophobicContact CG2-CD2 4.04Å; E493-L497 WeakPolarHBondContact O-CB 3.44Å; E493-L497 PolarHBondContact O-N 3.23Å; H494-L497 PolarHBondContact O-N 3.33Å; L497-L586 HydrophobicContact CD2-CB 4.21Å; L497-L586 HydrophobicContact CD2-CD1 3.94Å; L497-A589 HydrophobicContact CD1-CB 3.95Å; L497-A589 HydrophobicContact CG-CB 4.36Å; L497-W609 HydrophobicContact CD1-CH2 3.69Å; L497-W609 HydrophobicContact CD1-CZ2 4.24Å |
| 498 | S | 95.8 | Very high | 95 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.9 | -27.9 | 178.4 | -57.4 | 0 | 0 | 0 | 0 | 113 | H494 A495 L496 P590 | H494-S498 PolarHBondContact ND1-OG 3.05Å; H494-S498 WeakPolarHBondContact O-CB 2.9Å; H494-S498 PolarHBondContact O-N 2.68Å; H494-S498 PolarHBondContact O-OG 2.92Å; A495-S498 PolarHBondContact O-N 3.21Å; L496-S498 PolarHBondContact O-N 2.96Å; S498-P590 WeakPolarHBondContact OG-CG 3.45Å |
| 499 | L | 95.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -83.7 | -27.1 | 177.1 | -75.4 | 169.1 | 0 | 0 | 0 | 113.8 | F424 V446 C449 V450 A495 L496 T501 S502 V503 | F424-L499 HydrophobicContact CE1-CD1 4.48Å; V446-L499 HydrophobicContact CB-CD2 4.38Å; V446-L499 HydrophobicContact CB-CG 4.42Å; V446-L499 HydrophobicContact CG1-CD2 4.03Å; V446-L499 HydrophobicContact CG1-CG 4.11Å; V446-L499 HydrophobicContact CG2-CD1 4.24Å; V446-L499 HydrophobicContact CG2-CD2 4.5Å; V446-L499 HydrophobicContact CG2-CG 4.05Å; C449-L499 HydrophobicContact CB-CD2 3.51Å; V450-L499 HydrophobicContact CG2-CD2 4.28Å; A495-L499 WeakPolarHBondContact O-CG 3.2Å; A495-L499 PolarHBondContact O-N 2.96Å; L496-L499 PolarHBondContact O-N 3.4Å; L496-L499 VanDerWaalsContact O-N 3.16Å; L499-T501 VanDerWaalsContact C-N 3.33Å; L499-T501 PolarHBondContact O-N 2.79Å; L499-T501 VanDerWaalsContact O-N 3.15Å; L499-S502 PolarHBondContact O-N 3.01Å; L499-V503 HydrophobicContact CB-CG2 4.28Å; L499-V503 PolarHBondContact O-N 2.73Å |
| 500 | A | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -47.9 | -48.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I479 L496 S502 Y504 I517 L608 W609 | I479-A500 HydrophobicContact CD1-CB 4.32Å; I479-A500 HydrophobicContact CG1-CB 4.28Å; L496-A500 PolarHBondContact O-N 2.71Å; A500-S502 PolarHBondContact O-N 3.05Å; A500-Y504 WeakPolarHBondContact O-CB 3.19Å; A500-Y504 PolarHBondContact O-N 3.06Å; A500-I517 HydrophobicContact CB-CD1 4.41Å; A500-I517 HydrophobicContact CB-CG2 4.02Å; A500-L608 HydrophobicContact CB-CD2 4.26Å; A500-W609 HydrophobicContact CB-CH2 4.34Å; A500-W609 HydrophobicContact CB-CZ2 4.06Å |
| 501 | T | 95.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 33 Ų | 33 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 179.1 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | L499 Y504 D505 W609 | L499-T501 VanDerWaalsContact C-N 3.33Å; L499-T501 PolarHBondContact O-N 2.79Å; L499-T501 VanDerWaalsContact O-N 3.15Å; T501-Y504 PolarHBondContact O-N 3.1Å; T501-D505 WeakPolarHBondContact O-CB 3.39Å; T501-D505 PolarHBondContact O-N 2.91Å; T501-W609 PolarHBondContact OG1-NE1 3.13Å |
| 502 | S | 95.8 | Very high | 94.3 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72 | -38.1 | -175.5 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | L499 A500 A506 | L499-S502 PolarHBondContact O-N 3.01Å; A500-S502 PolarHBondContact O-N 3.05Å; S502-A506 WeakPolarHBondContact O-CB 3.09Å; S502-A506 PolarHBondContact O-N 3.11Å |
| 503 | V | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.5 | -42.3 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | L453 L470 L474 L499 A506 S507 L513 | L453-V503 HydrophobicContact CD1-CG2 3.94Å; L470-V503 HydrophobicContact CB-CG1 4.24Å; L470-V503 HydrophobicContact CB-CG2 3.88Å; L470-V503 HydrophobicContact CD1-CG2 4.4Å; L474-V503 HydrophobicContact CD1-CB 3.59Å; L474-V503 HydrophobicContact CD1-CG1 3.63Å; L474-V503 HydrophobicContact CD1-CG2 4.02Å; L474-V503 HydrophobicContact CG-CG1 4.49Å; L499-V503 HydrophobicContact CB-CG2 4.28Å; L499-V503 PolarHBondContact O-N 2.73Å; V503-A506 PolarHBondContact O-N 2.8Å; V503-S507 WeakPolarHBondContact O-CB 3.21Å; V503-S507 PolarHBondContact O-N 3.26Å; V503-L513 HydrophobicContact CG1-CD2 4.14Å |
| 504 | Y | 96.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -47.5 | 175 | -178.6 | -93.9 | 0 | 0 | 0 | 112.2 | A500 T501 A506 S507 Q510 L513 L514 I517 G554 W606 L608 | A500-Y504 WeakPolarHBondContact O-CB 3.19Å; A500-Y504 PolarHBondContact O-N 3.06Å; T501-Y504 PolarHBondContact O-N 3.1Å; Y504-A506 VanDerWaalsContact C-N 3.32Å; Y504-A506 PolarHBondContact O-N 3.29Å; Y504-S507 PolarHBondContact O-N 2.99Å; Y504-Q510 HydrophobicContact CD1-CG 4.21Å; Y504-Q510 HydrophobicContact CD2-CB 4.42Å; Y504-Q510 HydrophobicContact CD2-CG 4.31Å; Y504-Q510 HydrophobicContact CE1-CB 4.28Å; Y504-Q510 HydrophobicContact CE1-CG 3.95Å; Y504-Q510 HydrophobicContact CE2-CB 3.79Å; Y504-Q510 HydrophobicContact CE2-CG 4.07Å; Y504-Q510 VanDerWaalsContact CE2-O 3.29Å; Y504-Q510 WeakPolarHBondContact CE2-O 3.42Å; Y504-Q510 HydrophobicContact CG-CG 4.39Å; Y504-Q510 WeakPolarHBondContact O-CG 3.43Å; Y504-Q510 PolarHBondContact O-NE2 3Å; Y504-L513 HydrophobicContact CD2-CD2 4.48Å; Y504-L514 HydrophobicContact CE2-CB 4.1Å; Y504-L514 HydrophobicContact CE2-CD1 3.97Å; Y504-I517 HydrophobicContact CD2-CD1 4.16Å; Y504-G554 WeakPolarHBondContact OH-CA 3.2Å; Y504-W606 AromaticContact CE1-CD1 3.96Å; Y504-W606 AromaticContact CE1-NE1 3.98Å; Y504-L608 HydrophobicContact CD1-CB 3.82Å; Y504-L608 HydrophobicContact CD1-CD1 4.15Å; Y504-L608 HydrophobicContact CD1-CG 4.42Å; Y504-L608 HydrophobicContact CD2-CD1 3.73Å; Y504-L608 HydrophobicContact CE1-CB 4.14Å; Y504-L608 HydrophobicContact CE1-CD1 4.38Å; Y504-L608 HydrophobicContact CE2-CD1 3.97Å; Y504-L608 HydrophobicContact CG-CB 4.23Å; Y504-L608 HydrophobicContact CG-CD1 3.8Å; Y504-L608 HydrophobicContact CG-CD2 4.3Å; Y504-L608 HydrophobicContact CG-CG 4.32Å |
| 505 | D | 94 | Very high | 94.2 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.3 | -35.5 | -179.7 | -79.9 | -15.6 | 0 | 0 | 0 | 112.6 | T501 K594 W606 | T501-D505 WeakPolarHBondContact O-CB 3.39Å; T501-D505 PolarHBondContact O-N 2.91Å; D505-K594 IonicContact OD1-NZ 3.95Å; D505-K594 PolarHBondContact OD1-NZ 3.41Å; D505-K594 WeakPolarHBondContact OD2-CE 3.16Å; D505-K594 IonicContact OD2-NZ 3.68Å; D505-K594 PolarHBondContact OD2-NZ 2.95Å; D505-W606 PolarHBondContact OD1-NE1 3.39Å |
| 506 | A | 94.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -82.3 | -16.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | L453 Y458 L467 S502 V503 Y504 L508 | L453-A506 HydrophobicContact CB-CB 4.2Å; L453-A506 HydrophobicContact CD1-CB 4.45Å; L453-A506 HydrophobicContact CD2-CB 3.94Å; L453-A506 HydrophobicContact CG-CB 4.42Å; Y458-A506 WeakPolarHBondContact CE1-O 3.36Å; Y458-A506 PolarHBondContact OH-O 3.3Å; L467-A506 HydrophobicContact CD1-CB 3.83Å; L467-A506 VanDerWaalsContact CD2-O 3.25Å; L467-A506 WeakPolarHBondContact CD2-O 3.21Å; S502-A506 WeakPolarHBondContact O-CB 3.09Å; S502-A506 PolarHBondContact O-N 3.11Å; V503-A506 PolarHBondContact O-N 2.8Å; Y504-A506 VanDerWaalsContact C-N 3.32Å; Y504-A506 PolarHBondContact O-N 3.29Å; A506-L508 PolarHBondContact O-N 2.9Å |
| 507 | S | 92.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 40 Ų | 40 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | trans | -64.1 | 132.9 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | V503 Y504 N509 | V503-S507 WeakPolarHBondContact O-CB 3.21Å; V503-S507 PolarHBondContact O-N 3.26Å; Y504-S507 PolarHBondContact O-N 2.99Å; S507-N509 PolarHBondContact O-N 3.22Å; S507-N509 VanDerWaalsContact OG-C 3.32Å; S507-N509 PolarHBondContact OG-N 3.13Å; S507-N509 VanDerWaalsContact OG-N 3.15Å; S507-N509 PolarHBondContact OG-O 3.35Å | ||
| 508 | L | 85.3 | Confident | 94 | Very high | 134 Ų | 134 | 40.3 Ų | 40.3 | 70% | 0.702 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -68.2 | -22.3 | 172.5 | -62.6 | 176.7 | 0 | 0 | 0 | 112.2 | Y458 I464 A506 | Y458-L508 HydrophobicContact CD1-CD2 3.78Å; Y458-L508 HydrophobicContact CD1-CG 4.44Å; Y458-L508 HydrophobicContact CE1-CD2 3.82Å; Y458-L508 HydrophobicContact CE1-CG 4.44Å; Y458-L508 HydrophobicContact CG-CD2 4.49Å; I464-L508 HydrophobicContact CD1-CD1 4.48Å; A506-L508 PolarHBondContact O-N 2.9Å |
| 509 | N | 88.9 | Confident | 93.6 | Very high | 75 Ų | 75 | 45.6 Ų | 45.6 | 40% | 0.401 | 23% | 0.231 | S | C | . | . | trans | -129.7 | 82.9 | 176.8 | -165.9 | -11.7 | 0 | 0 | 0 | 110.9 | S507 E512 L513 | S507-N509 PolarHBondContact O-N 3.22Å; S507-N509 VanDerWaalsContact OG-C 3.32Å; S507-N509 PolarHBondContact OG-N 3.13Å; S507-N509 VanDerWaalsContact OG-N 3.15Å; S507-N509 PolarHBondContact OG-O 3.35Å; N509-E512 HydrophobicContact CB-CB 4.26Å; N509-E512 VanDerWaalsContact CG-CB 3.5Å; N509-E512 WeakPolarHBondContact ND2-CB 3.23Å; N509-E512 PolarHBondContact ND2-OE2 3.02Å; N509-E512 PolarHBondContact OD1-N 3.27Å; N509-L513 PolarHBondContact O-N 2.8Å | ||
| 510 | Q | 93.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 9% | 0.093 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 179 | -81.6 | 167.3 | -8.4 | 0 | 0 | 112.9 | Y504 E512 L513 L514 | Y504-Q510 HydrophobicContact CD1-CG 4.21Å; Y504-Q510 HydrophobicContact CD2-CB 4.42Å; Y504-Q510 HydrophobicContact CD2-CG 4.31Å; Y504-Q510 HydrophobicContact CE1-CB 4.28Å; Y504-Q510 HydrophobicContact CE1-CG 3.95Å; Y504-Q510 HydrophobicContact CE2-CB 3.79Å; Y504-Q510 HydrophobicContact CE2-CG 4.07Å; Y504-Q510 VanDerWaalsContact CE2-O 3.29Å; Y504-Q510 WeakPolarHBondContact CE2-O 3.42Å; Y504-Q510 HydrophobicContact CG-CG 4.39Å; Y504-Q510 WeakPolarHBondContact O-CG 3.43Å; Y504-Q510 PolarHBondContact O-NE2 3Å; Q510-E512 PolarHBondContact O-N 2.88Å; Q510-L513 PolarHBondContact O-N 3.1Å; Q510-L514 PolarHBondContact O-N 3.17Å |
| 511 | E | 91.6 | Very high | 92.8 | Very high | 146 Ų | 146 | 54.5 Ų | 54.5 | 68% | 0.682 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.7 | -39.3 | -175.9 | -68 | 176.2 | -169.2 | 0 | 0 | 111.6 | L513 P515 | E511-L513 VanDerWaalsContact C-N 3.34Å; E511-P515 WeakPolarHBondContact O-CD 3.42Å |
| 512 | E | 92.8 | Very high | 92.6 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.7 | -34.7 | 175.1 | -167.8 | -161.1 | 164.2 | 0 | 0 | 112.2 | K475 N509 Q510 P515 Y516 | K475-E512 IonicContact NZ-OE1 2.76Å; K475-E512 PolarHBondContact NZ-OE1 3.36Å; K475-E512 IonicContact NZ-OE2 2.72Å; K475-E512 PolarHBondContact NZ-OE2 3.07Å; N509-E512 HydrophobicContact CB-CB 4.26Å; N509-E512 VanDerWaalsContact CG-CB 3.5Å; N509-E512 WeakPolarHBondContact ND2-CB 3.23Å; N509-E512 PolarHBondContact ND2-OE2 3.02Å; N509-E512 PolarHBondContact OD1-N 3.27Å; Q510-E512 PolarHBondContact O-N 2.88Å; E512-P515 WeakPolarHBondContact O-CD 3.16Å; E512-Y516 VanDerWaalsContact O-CD2 3.28Å; E512-Y516 WeakPolarHBondContact O-CD2 3.46Å; E512-Y516 VanDerWaalsContact O-CE2 3.23Å; E512-Y516 WeakPolarHBondContact O-CE2 3.3Å |
| 513 | L | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -78.7 | -28.6 | -178 | -175.4 | 58.6 | 0 | 0 | 0 | 113 | T471 L474 K475 V503 Y504 N509 Q510 E511 Y516 I517 | T471-L513 HydrophobicContact CG2-CD1 4.15Å; T471-L513 HydrophobicContact CG2-CD2 4.43Å; L474-L513 HydrophobicContact CB-CD1 4.06Å; K475-L513 HydrophobicContact CG-CD1 3.92Å; V503-L513 HydrophobicContact CG1-CD2 4.14Å; Y504-L513 HydrophobicContact CD2-CD2 4.48Å; N509-L513 PolarHBondContact O-N 2.8Å; Q510-L513 PolarHBondContact O-N 3.1Å; E511-L513 VanDerWaalsContact C-N 3.34Å; L513-Y516 PolarHBondContact O-N 2.56Å; L513-Y516 VanDerWaalsContact O-N 3.17Å; L513-I517 HydrophobicContact CD1-CD1 4.35Å; L513-I517 HydrophobicContact CD1-CG1 4.47Å; L513-I517 HydrophobicContact CD2-CD1 3.97Å; L513-I517 HydrophobicContact CG-CD1 3.74Å; L513-I517 HydrophobicContact CG-CG1 4.27Å |
| 514 | L | 95.2 | Very high | 92.3 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 14% | 0.141 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -52.4 | -47.2 | -173.4 | -175.2 | 64.7 | 0 | 0 | 0 | 114.1 | Y504 Q510 Y516 I517 I518 L608 | Y504-L514 HydrophobicContact CE2-CB 4.1Å; Y504-L514 HydrophobicContact CE2-CD1 3.97Å; Q510-L514 PolarHBondContact O-N 3.17Å; L514-Y516 PolarHBondContact O-N 3.37Å; L514-I517 PolarHBondContact O-N 2.7Å; L514-I517 VanDerWaalsContact O-N 3.09Å; L514-I518 HydrophobicContact CD1-CB 4.32Å; L514-I518 HydrophobicContact CD1-CG1 3.81Å; L514-I518 PolarHBondContact O-N 3.43Å; L514-L608 HydrophobicContact CD1-CD1 3.79Å |
| 515 | P | 94.5 | Very high | 92.3 | Very high | 82 Ų | 82 | 68.4 Ų | 68.4 | 53% | 0.532 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.8 | -23.8 | -176.8 | -21.5 | 34.9 | 0 | 0 | 0 | 114.3 | E511 E512 | E511-P515 WeakPolarHBondContact O-CD 3.42Å; E512-P515 WeakPolarHBondContact O-CD 3.16Å |
| 516 | Y | 94.3 | Very high | 92.5 | Very high | 99 Ų | 99 | 69.1 Ų | 69.1 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -78 | -25.7 | 177 | -60.1 | -84.2 | 0 | 0 | 0 | 112.2 | K475 I479 E512 L513 L514 | K475-Y516 HydrophobicContact CB-CD1 4.2Å; K475-Y516 HydrophobicContact CB-CD2 4.45Å; K475-Y516 HydrophobicContact CB-CE1 4.27Å; K475-Y516 HydrophobicContact CB-CG 4.29Å; K475-Y516 HydrophobicContact CD-CE2 4.41Å; K475-Y516 HydrophobicContact CG-CD1 4.5Å; K475-Y516 HydrophobicContact CG-CD2 3.87Å; K475-Y516 HydrophobicContact CG-CE2 3.98Å; K475-Y516 HydrophobicContact CG-CG 4.13Å; K475-Y516 WeakPolarHBondContact O-CD1 3.49Å; K475-Y516 WeakPolarHBondContact O-CE1 3.23Å; I479-Y516 PolarHBondContact N-O 2.87Å; E512-Y516 VanDerWaalsContact O-CD2 3.28Å; E512-Y516 WeakPolarHBondContact O-CD2 3.46Å; E512-Y516 VanDerWaalsContact O-CE2 3.23Å; E512-Y516 WeakPolarHBondContact O-CE2 3.3Å; L513-Y516 PolarHBondContact O-N 2.56Å; L513-Y516 VanDerWaalsContact O-N 3.17Å; L514-Y516 PolarHBondContact O-N 3.37Å |
| 517 | I | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -93 | -43.4 | 178.7 | -59.5 | 176.7 | 0 | 0 | 0 | 111.3 | L474 I479 Q481 A500 Y504 L513 L514 L608 W609 | L474-I517 HydrophobicContact CD1-CD1 4.11Å; L474-I517 HydrophobicContact CD1-CG1 4.45Å; I479-I517 HydrophobicContact CG1-CB 4.38Å; I479-I517 HydrophobicContact CG1-CG1 4.27Å; I479-I517 HydrophobicContact CG1-CG2 4.15Å; Q481-I517 PolarHBondContact NE2-O 3.02Å; A500-I517 HydrophobicContact CB-CD1 4.41Å; A500-I517 HydrophobicContact CB-CG2 4.02Å; Y504-I517 HydrophobicContact CD2-CD1 4.16Å; L513-I517 HydrophobicContact CD1-CD1 4.35Å; L513-I517 HydrophobicContact CD1-CG1 4.47Å; L513-I517 HydrophobicContact CD2-CD1 3.97Å; L513-I517 HydrophobicContact CG-CD1 3.74Å; L513-I517 HydrophobicContact CG-CG1 4.27Å; L514-I517 PolarHBondContact O-N 2.7Å; L514-I517 VanDerWaalsContact O-N 3.09Å; I517-L608 HydrophobicContact CB-CD1 4.35Å; I517-L608 HydrophobicContact CD1-CD1 4.33Å; I517-L608 HydrophobicContact CD1-CD2 4.41Å; I517-L608 HydrophobicContact CG2-CD1 3.9Å; I517-L608 HydrophobicContact CG2-CD2 3.98Å; I517-L608 HydrophobicContact CG2-CG 4.34Å; I517-W609 HydrophobicContact CG2-CH2 4.07Å; I517-W609 HydrophobicContact CG2-CZ3 4.47Å |
| 518 | I | 94.4 | Very high | 92.9 | Very high | 12 Ų | 12 | 76 Ų | 76 | 6% | 0.062 | 40% | 0.403 | C | S | . | . | trans | -115.9 | 104.4 | -178.4 | -51.7 | -63.7 | 0 | 0 | 0 | 108.4 | L514 N521 P553 L608 W609 | L514-I518 HydrophobicContact CD1-CB 4.32Å; L514-I518 HydrophobicContact CD1-CG1 3.81Å; L514-I518 PolarHBondContact O-N 3.43Å; I518-N521 HydrophobicContact CG2-CB 3.89Å; I518-P553 HydrophobicContact CD1-CB 4.47Å; I518-P553 HydrophobicContact CG1-CB 4.09Å; I518-P553 HydrophobicContact CG2-CB 4.07Å; I518-P553 HydrophobicContact CG2-CG 4.41Å; I518-L608 HydrophobicContact CD1-CD1 4.47Å; I518-L608 HydrophobicContact CG1-CD1 4.14Å; I518-W609 HydrophobicContact CD1-CE3 3.63Å; I518-W609 HydrophobicContact CD1-CH2 4.46Å; I518-W609 HydrophobicContact CD1-CZ3 3.5Å | ||
| 519 | K | 87.9 | Confident | 93.5 | Very high | 132 Ų | 132 | 74.7 Ų | 74.7 | 57% | 0.574 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -75.9 | -37.8 | -177.8 | -65.1 | -175 | 179.1 | -175.4 | 0 | 112.8 | Q481 | Q481-K519 HydrophobicContact CG-CB 4.28Å; Q481-K519 HydrophobicContact CG-CD 4.39Å; Q481-K519 HydrophobicContact CG-CG 4.4Å |
| 520 | D | 86.1 | Confident | 93.9 | Very high | 135 Ų | 135 | 74.5 Ų | 74.5 | 72% | 0.722 | 39% | 0.393 | S | S | * | . | trans | -114.9 | 95 | -176.8 | -63 | -45.2 | 0 | 0 | 0 | 110.3 | ||||
| 521 | N | 90.3 | Very high | 94.1 | Very high | 58 Ų | 58 | 79 Ų | 79 | 31% | 0.31 | 41% | 0.414 | S | S | . | . | trans | -128.3 | 70.5 | 177.4 | -166 | 17 | 0 | 0 | 0 | 111 | I518 P553 | I518-N521 HydrophobicContact CG2-CB 3.89Å; N521-P553 PolarHBondContact ND2-O 3.16Å; N521-P553 WeakPolarHBondContact OD1-CD 3.32Å | ||
| 522 | P | 90.2 | Very high | 94.3 | Very high | 86 Ų | 86 | 73.4 Ų | 73.4 | 56% | 0.558 | 39% | 0.389 | S | S | * | . | trans | -63.7 | 140.9 | -178.1 | 27.3 | -34.3 | 0 | 0 | 0 | 110.8 | L524 | P522-L524 PolarHBondContact O-N 2.97Š| ||
| 523 | P | 91.2 | Very high | 94.4 | Very high | 129 Ų | 129 | 75.1 Ų | 75.1 | 84% | 0.838 | 40% | 0.395 | S | S | * | . | trans | -64.9 | 130.4 | 175.6 | 27.9 | -33.3 | 0 | 0 | 0 | 109.5 | ||||
| 524 | L | 95.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 75.2 Ų | 75.2 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | trans | -106.7 | 149.9 | 175 | -62.8 | 179.2 | 0 | 0 | 0 | 109.7 | P522 V526 Y550 I634 P656 | P522-L524 PolarHBondContact O-N 2.97Å; L524-V526 PolarHBondContact O-N 3.43Å; L524-Y550 HydrophobicContact CD1-CE1 4.44Å; L524-I634 HydrophobicContact CB-CD1 3.7Å; L524-I634 HydrophobicContact CB-CG1 3.99Å; L524-I634 HydrophobicContact CB-CG2 4.17Å; L524-I634 HydrophobicContact CD1-CD1 3.99Å; L524-I634 HydrophobicContact CD1-CG2 4.33Å; L524-I634 HydrophobicContact CG-CD1 4.37Å; L524-P656 HydrophobicContact CD2-CB 4.36Å | ||
| 525 | P | 96.8 | Very high | 94.3 | Very high | 93 Ų | 93 | 77.9 Ų | 77.9 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 122 | 177.4 | -25 | 33.8 | 0 | 0 | 0 | 111.9 | P656 | P525-P656 HydrophobicContact CG-CG 4.44Š|
| 526 | V | 97.6 | Very high | 94.1 | Very high | 65 Ų | 65 | 74.1 Ų | 74.1 | 39% | 0.394 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -94.6 | 132.1 | -178.1 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | L524 M555 E632 A633 | L524-V526 PolarHBondContact O-N 3.43Å; V526-M555 HydrophobicContact CG1-CE 4.03Å; V526-M555 HydrophobicContact CG2-CE 4.01Å; V526-E632 HydrophobicContact CG1-CB 3.88Å; V526-E632 HydrophobicContact CG1-CG 4.35Å; V526-A633 CarbonylContact C-O 3.48Å; V526-A633 WeakPolarHBondContact CA-O 3.43Å |
| 527 | V | 97.8 | Very high | 94.1 | Very high | 39 Ų | 39 | 75.4 Ų | 75.4 | 24% | 0.236 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 144.8 | 166.5 | -67.1 | 0 | 0 | 0 | 0 | 109.9 | Q530 L549 E632 A633 T635 | V527-Q530 HydrophobicContact CB-CG 4.01Å; V527-Q530 HydrophobicContact CG2-CG 3.52Å; V527-L549 HydrophobicContact CG2-CD2 4.23Å; V527-E632 WeakPolarHBondContact O-CA 3.29Å; V527-A633 VanDerWaalsContact CG2-O 3.25Å; V527-A633 WeakPolarHBondContact CG2-O 3.32Å; V527-A633 PolarHBondContact N-O 3.19Å; V527-A633 PolarHBondContact O-N 3.43Å; V527-T635 WeakPolarHBondContact CG1-OG1 3.44Å |
| 528 | K | 98 | Very high | 93.9 | Very high | 125 Ų | 125 | 76 Ų | 76 | 54% | 0.543 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 151.7 | -176.7 | -59.7 | -165.5 | 178.2 | -148.3 | 0 | 112.8 | Q530 Q631 E632 | K528-Q530 VanDerWaalsContact C-N 3.27Å; K528-Q530 PolarHBondContact O-N 2.92Å; K528-Q530 PolarHBondContact O-NE2 3.35Å; K528-Q631 CarbonylContact C-O 3.37Å; K528-Q631 WeakPolarHBondContact CA-O 3.08Å; K528-E632 VanDerWaalsContact CE-OE1 3.25Å; K528-E632 WeakPolarHBondContact CE-OE1 3.48Å; K528-E632 HydrophobicContact CG-CG 4.38Å; K528-E632 IonicContact NZ-OE1 3.53Å; K528-E632 PolarHBondContact NZ-OE1 3.21Å |
| 529 | N | 97.5 | Very high | 93.7 | Very high | 108 Ų | 108 | 76.3 Ų | 76.3 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 44.8 | 173.1 | -60.1 | -47.6 | 0 | 0 | 0 | 113.7 | Q531 V629 V630 Q631 | N529-Q531 PolarHBondContact O-N 2.91Å; N529-V629 HydrophobicContact CB-CG1 4.41Å; N529-V630 CarbonylContact C-O 3.48Å; N529-V630 WeakPolarHBondContact CA-O 2.86Å; N529-V630 PolarHBondContact N-O 3.38Å; N529-Q631 PolarHBondContact N-O 3.14Å |
| 530 | Q | 98 | Very high | 93.7 | Very high | 70 Ų | 70 | 78.3 Ų | 78.3 | 33% | 0.327 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 114.4 | -179.1 | -64.1 | -58.3 | -67.8 | 0 | 0 | 109.8 | V527 K528 L549 V629 V630 | V527-Q530 HydrophobicContact CB-CG 4.01Å; V527-Q530 HydrophobicContact CG2-CG 3.52Å; K528-Q530 VanDerWaalsContact C-N 3.27Å; K528-Q530 PolarHBondContact O-N 2.92Å; K528-Q530 PolarHBondContact O-NE2 3.35Å; Q530-L549 HydrophobicContact CB-CD1 3.87Å; Q530-L549 HydrophobicContact CB-CD2 4.48Å; Q530-L549 HydrophobicContact CG-CD1 4.32Å; Q530-L549 HydrophobicContact CG-CD2 4.17Å; Q530-V629 CarbonylContact O-C 3.55Å; Q530-V629 WeakPolarHBondContact O-CA 3.49Å; Q530-V630 PolarHBondContact N-O 2.98Å; Q530-V630 PolarHBondContact O-N 3.4Å |
| 531 | Q | 97.2 | Very high | 93.9 | Very high | 115 Ų | 115 | 79 Ų | 79 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124 | 178.1 | -168.4 | -173.6 | -59.4 | 0 | 0 | 110 | N529 I628 V629 | N529-Q531 PolarHBondContact O-N 2.91Å; Q531-I628 WeakPolarHBondContact CA-O 3.44Å; Q531-V629 HydrophobicContact CG-CG2 4.31Å |
| 532 | I | 95.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 79.1 Ų | 79.1 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135.3 | -179.3 | -56.6 | 158.3 | 0 | 0 | 0 | 108.6 | I534 T547 L549 K627 I628 V630 | I532-I534 HydrophobicContact CG2-CD1 3.82Å; I532-T547 HydrophobicContact CD1-CG2 3.93Å; I532-L549 HydrophobicContact CD1-CD1 3.69Å; I532-L549 HydrophobicContact CD1-CG 4.38Å; I532-K627 WeakPolarHBondContact O-CA 3.03Å; I532-I628 HydrophobicContact CB-CD1 4.29Å; I532-I628 HydrophobicContact CB-CG1 3.8Å; I532-I628 HydrophobicContact CD1-CD1 4.23Å; I532-I628 HydrophobicContact CD1-CG1 4.39Å; I532-I628 PolarHBondContact N-O 2.9Å; I532-I628 PolarHBondContact O-N 3.31Å; I532-V630 HydrophobicContact CD1-CG2 4.18Å |
| 533 | K | 95.3 | Very high | 94.3 | Very high | 127 Ų | 127 | 76.1 Ų | 76.1 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131 | 170.4 | -67.7 | -175.3 | 176.9 | -171.1 | 0 | 109.7 | D625 E626 | K533-D625 IonicContact NZ-OD2 2.76Å; K533-E626 CarbonylContact C-O 2.9Å; K533-E626 WeakPolarHBondContact CA-O 3.3Å |
| 534 | I | 94.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.4 | -177.6 | -56.5 | -59.1 | 0 | 0 | 0 | 108.3 | I532 I545 F565 W570 L615 V623 D625 E626 I628 | I532-I534 HydrophobicContact CG2-CD1 3.82Å; I534-I545 HydrophobicContact CD1-CG2 4.05Å; I534-I545 HydrophobicContact CG2-CD1 3.65Å; I534-F565 HydrophobicContact CB-CZ 4.07Å; I534-F565 HydrophobicContact CG1-CZ 4.48Å; I534-F565 HydrophobicContact CG2-CZ 3.92Å; I534-W570 HydrophobicContact CG2-CH2 4.46Å; I534-L615 HydrophobicContact CD1-CD2 4.29Å; I534-L615 HydrophobicContact CG1-CD2 4.06Å; I534-L615 HydrophobicContact CG2-CD2 3.84Å; I534-V623 HydrophobicContact CG2-CG2 4.35Å; I534-D625 PolarHBondContact O-N 3.04Å; I534-E626 HydrophobicContact CB-CB 4.46Å; I534-E626 WeakPolarHBondContact CB-O 3.34Å; I534-E626 PolarHBondContact N-O 2.83Å; I534-E626 PolarHBondContact O-N 2.93Å; I534-I628 HydrophobicContact CD1-CD1 3.91Å; I534-I628 HydrophobicContact CD1-CG1 4.26Å; I534-I628 HydrophobicContact CG1-CD1 4.14Å; I534-I628 HydrophobicContact CG1-CG1 4.11Å; I534-I628 HydrophobicContact CG1-CG2 4.03Å |
| 535 | T | 91.6 | Very high | 94.6 | Very high | 83 Ų | 83 | 68.8 Ų | 68.8 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.1 | 170 | -65.4 | 0 | 0 | 0 | 0 | 107.1 | V623 D625 | T535-V623 WeakPolarHBondContact CA-O 3.37Å; T535-D625 PolarHBondContact OG1-N 2.89Å; T535-D625 PolarHBondContact OG1-OD1 3.34Å |
| 536 | A | 91.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 136.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | I545 W570 A617 K622 V623 | A536-I545 HydrophobicContact CB-CD1 3.64Å; A536-W570 HydrophobicContact CB-CH2 4.2Å; A536-A617 HydrophobicContact CB-CB 4.03Å; A536-K622 CarbonylContact O-C 3.55Å; A536-K622 WeakPolarHBondContact O-CA 3.21Å; A536-V623 HydrophobicContact CB-CG2 3.74Å; A536-V623 PolarHBondContact N-O 2.95Å; A536-V623 PolarHBondContact O-N 3.08Å |
| 537 | Q | 92.4 | Very high | 94.6 | Very high | 127 Ų | 127 | 62.1 Ų | 62.1 | 59% | 0.593 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 91.2 | 170.4 | -178.3 | 177.6 | -15.4 | 0 | 0 | 107.4 | V621 I707 | Q537-V621 CarbonylContact C-O 3.59Å; Q537-V621 WeakPolarHBondContact CA-O 3.36Å; Q537-I707 VanDerWaalsContact O-CG2 3.27Å; Q537-I707 WeakPolarHBondContact O-CG2 3.47Å |
| 538 | T | 92.3 | Very high | 94.6 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | trans | -91 | 148.1 | -176.3 | 60.1 | 0 | 0 | 0 | 0 | 111.1 | E543 A617 P618 D620 V621 | T538-E543 HydrophobicContact CG2-CB 3.74Å; T538-A617 HydrophobicContact CG2-CB 3.65Å; T538-P618 VanDerWaalsContact CB-O 3.28Å; T538-P618 WeakPolarHBondContact CB-O 3.39Å; T538-P618 WeakPolarHBondContact CG2-O 3.38Å; T538-P618 PolarHBondContact OG1-O 3.04Å; T538-D620 PolarHBondContact OG1-N 3.03Å; T538-D620 VanDerWaalsContact OG1-N 3.14Å; T538-V621 PolarHBondContact N-O 3.07Å; T538-V621 PolarHBondContact OG1-N 3.34Å; T538-V621 PolarHBondContact OG1-O 2.95Å | ||
| 539 | G | 89.6 | Confident | 94.6 | Very high | 19 Ų | 19 | 54.9 Ų | 54.9 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | trans | -99.7 | -137.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y541 R619 D620 | G539-Y541 PolarHBondContact O-N 3.07Å; G539-R619 WeakPolarHBondContact O-CA 3.29Å; G539-R619 VanDerWaalsContact O-CB 3.28Å; G539-R619 WeakPolarHBondContact O-CB 3.45Å; G539-D620 PolarHBondContact O-N 3.13Å | ||
| 540 | K | 88.1 | Confident | 94.7 | Very high | 174 Ų | 174 | 50.4 Ų | 50.4 | 76% | 0.757 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -58.5 | -14.8 | -178.5 | -63.5 | -177.6 | 179.4 | 177.9 | 0 | 115.3 | ||
| 541 | Y | 90.9 | Very high | 94.7 | Very high | 150 Ų | 150 | 47 Ų | 47 | 59% | 0.588 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -125.8 | 150.2 | -174.3 | -53.7 | -69.8 | 0 | 0 | 0 | 112 | G539 R708 | G539-Y541 PolarHBondContact O-N 3.07Å; Y541-R708 VanDerWaalsContact CB-NH1 3.29Å |
| 542 | M | 93 | Very high | 94.7 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 30% | 0.3 | 20% | 0.204 | S | C | . | . | trans | -62.8 | 147.3 | 169.1 | -177.4 | -159.3 | 71.8 | 0 | 0 | 110.9 | W544 L616 A617 R708 | M542-W544 VanDerWaalsContact CE-NE1 3.3Å; M542-L616 HydrophobicContact CE-CD2 3.98Å; M542-L616 HydrophobicContact CE-CG 4.14Å; M542-L616 HydrophobicContact CG-CB 4.37Å; M542-L616 HydrophobicContact SD-CB 3.96Å; M542-L616 HydrophobicContact SD-CD2 3.71Å; M542-L616 HydrophobicContact SD-CG 3.91Å; M542-A617 CarbonylContact C-O 3.45Å; M542-A617 WeakPolarHBondContact CA-O 3.4Å; M542-A617 WeakPolarHBondContact CG-O 3.5Å; M542-R708 WeakPolarHBondContact O-CD 3.46Å; M542-R708 PolarHBondContact O-NH1 3.31Å | ||
| 543 | E | 94.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 10% | 0.103 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.5 | 178.1 | 178.9 | 168.4 | -143.4 | 0 | 0 | 111.3 | T538 L616 A617 R708 | T538-E543 HydrophobicContact CG2-CB 3.74Å; E543-L616 CarbonylContact O-C 3.57Å; E543-L616 WeakPolarHBondContact O-CA 3.23Å; E543-A617 PolarHBondContact N-O 3.46Å; E543-A617 PolarHBondContact O-N 2.96Å; E543-R708 HydrophobicContact CB-CG 4.11Å; E543-R708 HydrophobicContact CG-CG 4.11Å |
| 544 | W | 96.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.2 | 169.6 | -64.5 | 14.3 | 0 | 0 | 0 | 109 | M542 I593 Y614 L616 R711 Y727 P728 | M542-W544 VanDerWaalsContact CE-NE1 3.3Å; W544-I593 HydrophobicContact CH2-CD1 4.14Å; W544-Y614 HydrophobicContact CB-CD1 4.49Å; W544-Y614 HydrophobicContact CE3-CD1 4.35Å; W544-Y614 HydrophobicContact CE3-CD2 4.49Å; W544-Y614 HydrophobicContact CE3-CE1 4.39Å; W544-Y614 HydrophobicContact CE3-CG 4.39Å; W544-L616 HydrophobicContact CG-CD1 4.14Å; W544-L616 HydrophobicContact CG-CG 4.38Å; W544-R711 PolarHBondContact O-NH2 2.82Å; W544-Y727 AromaticContact CD1-CE1 3.75Å; W544-Y727 HydrophobicContact CG-CE1 4.08Å; W544-Y727 PolarHBondContact N-OH 3.45Å; W544-P728 HydrophobicContact CH2-CG 4.33Å |
| 545 | I | 96.8 | Very high | 94.9 | Very high | 18 Ų | 18 | 37.7 Ų | 37.7 | 9% | 0.092 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.6 | 176.4 | -53.6 | 177.3 | 0 | 0 | 0 | 108.1 | I534 A536 W570 Y614 L615 A617 | I534-I545 HydrophobicContact CD1-CG2 4.05Å; I534-I545 HydrophobicContact CG2-CD1 3.65Å; A536-I545 HydrophobicContact CB-CD1 3.64Å; I545-W570 HydrophobicContact CD1-CH2 4.33Å; I545-W570 HydrophobicContact CD1-CZ3 4.1Å; I545-Y614 WeakPolarHBondContact O-CA 3.47Å; I545-L615 HydrophobicContact CB-CB 4.34Å; I545-L615 WeakPolarHBondContact CB-O 3.46Å; I545-L615 PolarHBondContact N-O 3.04Å; I545-L615 PolarHBondContact O-N 2.76Å; I545-A617 HydrophobicContact CD1-CB 4.06Å |
| 546 | S | 97.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 136 | -178.2 | -63.8 | 0 | 0 | 0 | 0 | 110.9 | E661 R711 | S546-E661 VanDerWaalsContact CB-OE2 3.28Å; S546-E661 WeakPolarHBondContact CB-OE2 3.15Å; S546-E661 PolarHBondContact OG-OE1 2.84Å; S546-E661 PolarHBondContact OG-OE2 3.44Å; S546-E661 VanDerWaalsContact OG-OE2 3.12Å; S546-R711 PolarHBondContact OG-NH1 2.78Å; S546-R711 PolarHBondContact OG-NH2 3.42Å |
| 547 | T | 97.4 | Very high | 95.4 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 7% | 0.074 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -17.9 | -178.8 | 63.2 | 0 | 0 | 0 | 0 | 113.6 | I532 L549 I613 | I532-T547 HydrophobicContact CD1-CG2 3.93Å; T547-L549 PolarHBondContact O-N 3.47Å; T547-L549 PolarHBondContact OG1-N 2.78Å; T547-L549 VanDerWaalsContact OG1-N 3.17Å; T547-I613 WeakPolarHBondContact CB-O 3.27Å; T547-I613 HydrophobicContact CG2-CB 4.41Å; T547-I613 HydrophobicContact CG2-CG2 4.26Å; T547-I613 VanDerWaalsContact CG2-O 3.27Å; T547-I613 WeakPolarHBondContact CG2-O 3.39Å; T547-I613 PolarHBondContact N-O 2.86Å; T547-I613 PolarHBondContact OG1-O 2.92Å |
| 548 | G | 97.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.7 | 13.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114 | A636 Y638 | G548-A636 PolarHBondContact O-N 3.09Å; G548-Y638 VanDerWaalsContact CA-CD1 3.48Å |
| 549 | L | 98.7 | Very high | 95.9 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 151.1 | -177.9 | -60.7 | 179.6 | 0 | 0 | 0 | 111.4 | V527 Q530 I532 T547 L612 I613 V630 A633 I634 | V527-L549 HydrophobicContact CG2-CD2 4.23Å; Q530-L549 HydrophobicContact CB-CD1 3.87Å; Q530-L549 HydrophobicContact CB-CD2 4.48Å; Q530-L549 HydrophobicContact CG-CD1 4.32Å; Q530-L549 HydrophobicContact CG-CD2 4.17Å; I532-L549 HydrophobicContact CD1-CD1 3.69Å; I532-L549 HydrophobicContact CD1-CG 4.38Å; T547-L549 PolarHBondContact O-N 3.47Å; T547-L549 PolarHBondContact OG1-N 2.78Å; T547-L549 VanDerWaalsContact OG1-N 3.17Å; L549-L612 CarbonylContact O-C 2.95Å; L549-L612 WeakPolarHBondContact O-CA 3.3Å; L549-I613 HydrophobicContact CB-CD1 3.94Å; L549-I613 HydrophobicContact CB-CG1 4.42Å; L549-I613 PolarHBondContact O-N 3.32Å; L549-V630 HydrophobicContact CD1-CB 3.73Å; L549-V630 HydrophobicContact CD1-CG1 4.08Å; L549-V630 HydrophobicContact CD1-CG2 3.76Å; L549-A633 HydrophobicContact CB-CB 3.96Å; L549-A633 HydrophobicContact CD1-CB 4.08Å; L549-A633 HydrophobicContact CD2-CB 4.21Å; L549-A633 HydrophobicContact CG-CB 4.32Å; L549-I634 CarbonylContact C-O 3.49Å; L549-I634 WeakPolarHBondContact CA-O 3.24Å |
| 550 | Y | 98.7 | Very high | 96.3 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 6% | 0.055 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 147.4 | -177.7 | 174.6 | -96.2 | 0 | 0 | 0 | 110.5 | L524 G611 I634 A657 P658 | L524-Y550 HydrophobicContact CD1-CE1 4.44Å; Y550-G611 WeakPolarHBondContact CA-O 3.19Å; Y550-G611 WeakPolarHBondContact CD2-O 3.33Å; Y550-G611 VanDerWaalsContact CE2-CA 3.43Å; Y550-G611 VanDerWaalsContact CE2-N 3.28Å; Y550-I634 HydrophobicContact CD1-CB 4.13Å; Y550-I634 HydrophobicContact CD1-CD1 3.86Å; Y550-I634 HydrophobicContact CD1-CG2 4.41Å; Y550-I634 HydrophobicContact CE1-CD1 4.25Å; Y550-I634 PolarHBondContact N-O 3.24Å; Y550-I634 PolarHBondContact O-N 2.7Å; Y550-A657 HydrophobicContact CD1-CB 4.07Å; Y550-A657 HydrophobicContact CD2-CB 4.44Å; Y550-A657 HydrophobicContact CG-CB 3.8Å; Y550-P658 HydrophobicContact CD2-CG 4.41Å; Y550-P658 HydrophobicContact CE1-CG 4.01Å; Y550-P658 HydrophobicContact CE2-CG 3.71Å; Y550-P658 VanDerWaalsContact CZ-CG 3.5Å |
| 551 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 132 | 167.4 | -62.9 | 176.7 | 0 | 0 | 0 | 109.7 | M555 T557 I574 G610 G611 I613 A633 | L551-M555 HydrophobicContact CB-CB 4.38Å; L551-M555 HydrophobicContact CD2-CE 4.32Å; L551-M555 HydrophobicContact CD2-CG 4.22Å; L551-M555 HydrophobicContact CD2-SD 3.95Å; L551-T557 HydrophobicContact CD1-CG2 3.9Å; L551-T557 HydrophobicContact CD2-CG2 3.8Å; L551-T557 HydrophobicContact CG-CG2 4.45Å; L551-I574 HydrophobicContact CD1-CD1 3.53Å; L551-I574 HydrophobicContact CD1-CG1 4.08Å; L551-I574 HydrophobicContact CD1-CG2 4.4Å; L551-G610 CarbonylContact O-C 3.55Å; L551-G610 WeakPolarHBondContact O-CA 3.45Å; L551-G611 PolarHBondContact N-O 2.83Å; L551-G611 PolarHBondContact O-N 3.47Å; L551-I613 HydrophobicContact CD1-CD1 4.19Å; L551-I613 HydrophobicContact CD1-CG1 4.29Å; L551-I613 HydrophobicContact CD2-CD1 4.01Å; L551-I613 HydrophobicContact CG-CD1 3.77Å; L551-I613 HydrophobicContact CG-CG1 3.97Å; L551-A633 HydrophobicContact CD2-CB 4.36Å |
| 552 | S | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 8% | 0.084 | 10% | 0.104 | C | C | . | . | trans | -62.9 | 157.8 | 169.6 | -76.3 | 0 | 0 | 0 | 0 | 111.5 | G554 M555 I634 | S552-G554 PolarHBondContact O-N 3.06Å; S552-M555 WeakPolarHBondContact O-CB 3.3Å; S552-M555 PolarHBondContact O-N 2.77Å; S552-I634 WeakPolarHBondContact OG-CD1 3.41Å | ||
| 553 | P | 97.1 | Very high | 96.9 | Very high | 20 Ų | 20 | 20.7 Ų | 20.7 | 13% | 0.13 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | 123.3 | 171.4 | -30.8 | 36.2 | 0 | 0 | 0 | 113 | I518 N521 M555 L608 | I518-P553 HydrophobicContact CD1-CB 4.47Å; I518-P553 HydrophobicContact CG1-CB 4.09Å; I518-P553 HydrophobicContact CG2-CB 4.07Å; I518-P553 HydrophobicContact CG2-CG 4.41Å; N521-P553 PolarHBondContact ND2-O 3.16Å; N521-P553 WeakPolarHBondContact OD1-CD 3.32Å; P553-M555 PolarHBondContact O-N 2.77Å; P553-M555 VanDerWaalsContact O-N 3.17Å; P553-L608 CarbonylContact C-O 3.53Å; P553-L608 WeakPolarHBondContact CA-O 3.35Å; P553-L608 VanDerWaalsContact CB-O 3.25Å; P553-L608 WeakPolarHBondContact CB-O 3.41Å |
| 554 | G | 95.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 26 Ų | 26 | 10% | 0.103 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | -8.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y504 S552 K556 N607 L608 | Y504-G554 WeakPolarHBondContact OH-CA 3.2Å; S552-G554 PolarHBondContact O-N 3.06Å; G554-K556 PolarHBondContact O-N 3.43Å; G554-N607 PolarHBondContact N-O 3.2Å; G554-L608 PolarHBondContact N-O 2.95Å |
| 555 | M | 95.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 25.8 Ų | 25.8 | 16% | 0.163 | 14% | 0.137 | C | C | . | . | trans | -63.3 | 129.3 | 179.9 | -175.5 | -179.3 | 178.4 | 0 | 0 | 110.9 | V526 L551 S552 P553 W606 E632 I634 | V526-M555 HydrophobicContact CG1-CE 4.03Å; V526-M555 HydrophobicContact CG2-CE 4.01Å; L551-M555 HydrophobicContact CB-CB 4.38Å; L551-M555 HydrophobicContact CD2-CE 4.32Å; L551-M555 HydrophobicContact CD2-CG 4.22Å; L551-M555 HydrophobicContact CD2-SD 3.95Å; S552-M555 WeakPolarHBondContact O-CB 3.3Å; S552-M555 PolarHBondContact O-N 2.77Å; P553-M555 PolarHBondContact O-N 2.77Å; P553-M555 VanDerWaalsContact O-N 3.17Å; M555-W606 WeakPolarHBondContact O-CB 3.11Å; M555-E632 HydrophobicContact CE-CB 3.7Å; M555-I634 HydrophobicContact SD-CD1 4.25Å | ||
| 556 | K | 96.2 | Very high | 96.4 | Very high | 63 Ų | 63 | 27.4 Ų | 27.4 | 27% | 0.274 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 142.1 | 174.8 | -58.1 | -177.6 | 177.7 | 179.3 | 0 | 109.7 | G554 Q604 V605 W606 | G554-K556 PolarHBondContact O-N 3.43Å; K556-Q604 HydrophobicContact CB-CG 4.28Å; K556-V605 WeakPolarHBondContact CA-O 3.38Å; K556-W606 HydrophobicContact CB-CB 4.41Å; K556-W606 HydrophobicContact CG-CB 3.87Å; K556-W606 HydrophobicContact CG-CG 4.28Å |
| 557 | T | 97.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 148.6 | 167.7 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | L551 M559 Q604 V605 V630 E632 | L551-T557 HydrophobicContact CD1-CG2 3.9Å; L551-T557 HydrophobicContact CD2-CG2 3.8Å; L551-T557 HydrophobicContact CG-CG2 4.45Å; T557-M559 HydrophobicContact CG2-CG 4.43Å; T557-Q604 WeakPolarHBondContact O-CA 3.09Å; T557-V605 HydrophobicContact CG2-CG2 3.73Å; T557-V605 PolarHBondContact N-O 3.46Å; T557-V605 PolarHBondContact O-N 3.38Å; T557-V630 HydrophobicContact CG2-CG1 4.06Å; T557-E632 WeakPolarHBondContact CB-O 3.4Å; T557-E632 PolarHBondContact OG1-N 3.3Å; T557-E632 PolarHBondContact OG1-O 2.78Å; T557-E632 VanDerWaalsContact OG1-O 3.05Å |
| 558 | E | 98.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 34 Ų | 34 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 134.8 | 161.9 | -176.4 | 172.7 | 93.1 | 0 | 0 | 109.2 | R602 M603 Q631 | E558-R602 IonicContact OE1-CZ 3.36Å; E558-R602 IonicContact OE1-NH1 3.19Å; E558-R602 PolarHBondContact OE1-NH1 3.23Å; E558-M603 CarbonylContact C-O 3.33Å; E558-M603 WeakPolarHBondContact CA-O 3.47Å; E558-Q631 HydrophobicContact CB-CB 4.48Å; E558-Q631 HydrophobicContact CB-CG 4.22Å; E558-Q631 PolarHBondContact O-N 3.39Å; E558-Q631 PolarHBondContact OE1-NE2 3.05Å |
| 559 | M | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.7 | 167.6 | -68.9 | -170.7 | 69.3 | 0 | 0 | 109 | T557 L561 I572 R602 M603 V605 I613 I628 V629 V630 | T557-M559 HydrophobicContact CG2-CG 4.43Å; M559-L561 HydrophobicContact CB-CD2 4.44Å; M559-L561 HydrophobicContact CB-CG 4.46Å; M559-L561 HydrophobicContact CE-CD2 4.17Å; M559-I572 HydrophobicContact CB-CD1 4.25Å; M559-I572 HydrophobicContact CE-CD1 4.17Å; M559-I572 HydrophobicContact CE-CG1 4.16Å; M559-I572 HydrophobicContact CE-CG2 4.46Å; M559-I572 HydrophobicContact CG-CD1 4.44Å; M559-I572 HydrophobicContact SD-CB 4.36Å; M559-I572 HydrophobicContact SD-CD1 3.54Å; M559-I572 VanDerWaalsContact SD-CD1 3.54Å; M559-I572 HydrophobicContact SD-CG1 3.87Å; M559-I572 HydrophobicContact SD-CG2 3.59Å; M559-I572 VanDerWaalsContact SD-CG2 3.59Å; M559-R602 WeakPolarHBondContact O-CA 3.3Å; M559-M603 PolarHBondContact N-O 2.76Å; M559-M603 PolarHBondContact O-N 3.36Å; M559-V605 HydrophobicContact CG-CG2 3.87Å; M559-V605 HydrophobicContact SD-CG2 3.77Å; M559-I613 HydrophobicContact CE-CG2 4.27Å; M559-I613 HydrophobicContact SD-CG2 4.14Å; M559-I628 HydrophobicContact CE-CD1 3.99Å; M559-V629 WeakPolarHBondContact CA-O 3.47Å; M559-V630 HydrophobicContact CE-CG2 4.02Å; M559-V630 HydrophobicContact CG-CG2 4.39Å |
| 560 | I | 98.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 36.9 Ų | 36.9 | 23% | 0.226 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.4 | 172 | -48.6 | 174.6 | 0 | 0 | 0 | 107.4 | E601 R602 I628 V629 | I560-E601 CarbonylContact C-O 3.49Å; I560-E601 VanDerWaalsContact CA-O 3.28Å; I560-E601 WeakPolarHBondContact CA-O 3.49Å; I560-R602 HydrophobicContact CG1-CG 4.45Å; I560-I628 CarbonylContact O-C 3.58Å; I560-I628 VanDerWaalsContact O-CA 3.28Å; I560-I628 WeakPolarHBondContact O-CA 3.12Å; I560-V629 HydrophobicContact CB-CB 4.13Å; I560-V629 HydrophobicContact CD1-CB 4.44Å; I560-V629 PolarHBondContact N-O 3.03Å; I560-V629 PolarHBondContact O-N 2.93Å |
| 561 | L | 96.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | trans | -115.9 | 150.3 | -168.8 | -58.6 | 163.5 | 0 | 0 | 0 | 109.8 | M559 F565 I572 V598 E601 M603 I628 | M559-L561 HydrophobicContact CB-CD2 4.44Å; M559-L561 HydrophobicContact CB-CG 4.46Å; M559-L561 HydrophobicContact CE-CD2 4.17Å; L561-F565 HydrophobicContact CB-CD2 4.39Å; L561-I572 HydrophobicContact CD1-CD1 3.85Å; L561-I572 HydrophobicContact CD2-CD1 4.32Å; L561-V598 HydrophobicContact CD1-CB 4.33Å; L561-V598 HydrophobicContact CD1-CG1 3.44Å; L561-V598 VanDerWaalsContact CD1-CG1 3.44Å; L561-V598 HydrophobicContact CD1-CG2 3.97Å; L561-E601 PolarHBondContact N-O 3Å; L561-M603 HydrophobicContact CD1-CG 4.35Å; L561-M603 HydrophobicContact CD1-SD 4.15Å; L561-I628 HydrophobicContact CD2-CB 4.29Å; L561-I628 HydrophobicContact CD2-CG2 3.83Å | ||
| 562 | S | 94.6 | Very high | 94.4 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | trans | -61.6 | 141.2 | 170.3 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | K564 F565 E626 | S562-K564 PolarHBondContact O-N 2.94Å; S562-K564 PolarHBondContact OG-N 2.78Å; S562-F565 PolarHBondContact O-N 3.21Å; S562-E626 VanDerWaalsContact CB-OE2 3.27Å; S562-E626 WeakPolarHBondContact CB-OE2 3.33Å; S562-E626 PolarHBondContact OG-OE2 3.4Å | ||
| 563 | P | 93.5 | Very high | 94.4 | Very high | 80 Ų | 80 | 38.1 Ų | 38.1 | 52% | 0.519 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -52.3 | -26.7 | 172.4 | -25.8 | 32.4 | 0 | 0 | 0 | 113.6 | F565 V566 E601 | P563-F565 PolarHBondContact O-N 3.37Å; P563-V566 PolarHBondContact O-N 3.4Å; P563-V566 VanDerWaalsContact O-N 3.12Å; P563-E601 HydrophobicContact CG-CG 4.23Å |
| 564 | K | 92.2 | Very high | 94.5 | Very high | 135 Ų | 135 | 37.1 Ų | 37.1 | 59% | 0.587 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -64.9 | -16.8 | 177.4 | -65.1 | -166.9 | -171.5 | 166.7 | 0 | 114.3 | S562 E626 | S562-K564 PolarHBondContact O-N 2.94Å; S562-K564 PolarHBondContact OG-N 2.78Å; K564-E626 HydrophobicContact CD-CG 4.36Å; K564-E626 VanDerWaalsContact CD-OE1 3.27Å; K564-E626 WeakPolarHBondContact CD-OE1 3.44Å; K564-E626 WeakPolarHBondContact CE-OE1 3.25Å; K564-E626 IonicContact NZ-OE1 2.9Å; K564-E626 PolarHBondContact NZ-OE1 3.37Å |
| 565 | F | 93.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -93.2 | -9.4 | 177.2 | -55.7 | -32.4 | 0 | 0 | 0 | 112.8 | I534 L561 S562 P563 D567 W570 V598 L615 V623 E626 I628 | I534-F565 HydrophobicContact CB-CZ 4.07Å; I534-F565 HydrophobicContact CG1-CZ 4.48Å; I534-F565 HydrophobicContact CG2-CZ 3.92Å; L561-F565 HydrophobicContact CB-CD2 4.39Å; S562-F565 PolarHBondContact O-N 3.21Å; P563-F565 PolarHBondContact O-N 3.37Å; F565-D567 PolarHBondContact O-N 3.08Å; F565-W570 HydrophobicContact CB-CB 4.29Å; F565-W570 HydrophobicContact CB-CD2 4.44Å; F565-W570 HydrophobicContact CB-CG 4.09Å; F565-W570 AromaticContact CD1-CD2 3.76Å; F565-W570 HydrophobicContact CD1-CD2 3.76Å; F565-W570 AromaticContact CD1-CE2 3.46Å; F565-W570 VanDerWaalsContact CD1-CE2 3.46Å; F565-W570 HydrophobicContact CD1-CE3 4.24Å; F565-W570 HydrophobicContact CD1-CG 4.19Å; F565-W570 HydrophobicContact CD1-CH2 4.15Å; F565-W570 AromaticContact CD1-CZ2 3.64Å; F565-W570 HydrophobicContact CD1-CZ2 3.64Å; F565-W570 HydrophobicContact CD1-CZ3 4.43Å; F565-W570 AromaticContact CD1-NE1 3.78Å; F565-W570 HydrophobicContact CE1-CD2 4.33Å; F565-W570 AromaticContact CE1-CE2 3.86Å; F565-W570 AromaticContact CE1-CH2 3.74Å; F565-W570 HydrophobicContact CE1-CH2 3.74Å; F565-W570 AromaticContact CE1-CZ2 3.51Å; F565-W570 HydrophobicContact CE1-CZ2 3.51Å; F565-W570 HydrophobicContact CE1-CZ3 4.24Å; F565-W570 HydrophobicContact CG-CD2 4.29Å; F565-W570 HydrophobicContact CG-CG 4.45Å; F565-W570 HydrophobicContact CZ-CH2 4.45Å; F565-V598 HydrophobicContact CB-CG1 4.13Å; F565-V598 WeakPolarHBondContact O-CB 3.33Å; F565-V598 VanDerWaalsContact O-CG1 3.24Å; F565-V598 WeakPolarHBondContact O-CG1 3.43Å; F565-L615 HydrophobicContact CD2-CD2 4.3Å; F565-L615 HydrophobicContact CE2-CD2 3.97Å; F565-L615 HydrophobicContact CZ-CD2 4.13Å; F565-V623 HydrophobicContact CE1-CB 4.48Å; F565-V623 HydrophobicContact CE1-CG1 4.14Å; F565-V623 HydrophobicContact CE1-CG2 4.2Å; F565-E626 HydrophobicContact CE1-CB 4.21Å; F565-E626 HydrophobicContact CE1-CG 4.35Å; F565-E626 HydrophobicContact CE2-CB 4.14Å; F565-E626 HydrophobicContact CZ-CB 3.48Å; F565-E626 VanDerWaalsContact CZ-CB 3.48Å; F565-E626 HydrophobicContact CZ-CG 4.1Å; F565-I628 HydrophobicContact CD2-CG2 4.06Å; F565-I628 HydrophobicContact CE2-CG2 3.56Å |
| 566 | V | 92.1 | Very high | 94.6 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 32% | 0.315 | 18% | 0.183 | S | C | . | . | trans | -86 | 75.3 | -172.1 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | P563 V598 T599 E601 | P563-V566 PolarHBondContact O-N 3.4Å; P563-V566 VanDerWaalsContact O-N 3.12Å; V566-V598 HydrophobicContact CG2-CG1 4.2Å; V566-T599 WeakPolarHBondContact CG1-O 3.42Å; V566-E601 HydrophobicContact CG2-CG 3.98Å | ||
| 567 | D | 84.8 | Confident | 94.5 | Very high | 70 Ų | 70 | 33 Ų | 33 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -143.5 | 8.4 | -177.9 | 71.2 | 4.2 | 0 | 0 | 0 | 114.7 | F565 T569 W570 | F565-D567 PolarHBondContact O-N 3.08Å; D567-T569 PolarHBondContact O-N 2.97Å; D567-T569 VanDerWaalsContact O-N 3.1Å; D567-T569 WeakPolarHBondContact OD1-CA 3.43Å; D567-T569 WeakPolarHBondContact OD1-CB 3.36Å; D567-T569 PolarHBondContact OD1-N 3.3Å; D567-T569 PolarHBondContact OD1-OG1 3.36Å; D567-T569 PolarHBondContact OD2-OG1 3.29Å; D567-W570 PolarHBondContact OD1-N 3.34Å |
| 568 | N | 81.4 | Confident | 94.1 | Very high | 86 Ų | 86 | 35.1 Ų | 35.1 | 46% | 0.46 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 64.6 | -5.5 | -173.1 | -54.8 | -54.4 | 0 | 0 | 0 | 116.4 | V598 T599 | N568-V598 PolarHBondContact N-O 3.04Å; N568-V598 VanDerWaalsContact N-O 3.07Å; N568-T599 WeakPolarHBondContact OD1-CG2 3.28Å |
| 569 | T | 90.3 | Very high | 94 | Very high | 69 Ų | 69 | 33 Ų | 33 | 42% | 0.423 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -88 | -37.4 | 179.4 | 77.2 | 0 | 0 | 0 | 0 | 111.5 | D567 P618 | D567-T569 PolarHBondContact O-N 2.97Å; D567-T569 VanDerWaalsContact O-N 3.1Å; D567-T569 WeakPolarHBondContact OD1-CA 3.43Å; D567-T569 WeakPolarHBondContact OD1-CB 3.36Å; D567-T569 PolarHBondContact OD1-N 3.3Å; D567-T569 PolarHBondContact OD1-OG1 3.36Å; D567-T569 PolarHBondContact OD2-OG1 3.29Å; T569-P618 WeakPolarHBondContact OG1-CG 3.36Å |
| 570 | W | 95 | Very high | 93.8 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -68.7 | 147 | 167.1 | -74.1 | 86 | 0 | 0 | 0 | 111.3 | I534 A536 I545 F565 D567 V598 L615 L616 A617 P618 V621 V623 | I534-W570 HydrophobicContact CG2-CH2 4.46Å; A536-W570 HydrophobicContact CB-CH2 4.2Å; I545-W570 HydrophobicContact CD1-CH2 4.33Å; I545-W570 HydrophobicContact CD1-CZ3 4.1Å; F565-W570 HydrophobicContact CB-CB 4.29Å; F565-W570 HydrophobicContact CB-CD2 4.44Å; F565-W570 HydrophobicContact CB-CG 4.09Å; F565-W570 AromaticContact CD1-CD2 3.76Å; F565-W570 HydrophobicContact CD1-CD2 3.76Å; F565-W570 AromaticContact CD1-CE2 3.46Å; F565-W570 VanDerWaalsContact CD1-CE2 3.46Å; F565-W570 HydrophobicContact CD1-CE3 4.24Å; F565-W570 HydrophobicContact CD1-CG 4.19Å; F565-W570 HydrophobicContact CD1-CH2 4.15Å; F565-W570 AromaticContact CD1-CZ2 3.64Å; F565-W570 HydrophobicContact CD1-CZ2 3.64Å; F565-W570 HydrophobicContact CD1-CZ3 4.43Å; F565-W570 AromaticContact CD1-NE1 3.78Å; F565-W570 HydrophobicContact CE1-CD2 4.33Å; F565-W570 AromaticContact CE1-CE2 3.86Å; F565-W570 AromaticContact CE1-CH2 3.74Å; F565-W570 HydrophobicContact CE1-CH2 3.74Å; F565-W570 AromaticContact CE1-CZ2 3.51Å; F565-W570 HydrophobicContact CE1-CZ2 3.51Å; F565-W570 HydrophobicContact CE1-CZ3 4.24Å; F565-W570 HydrophobicContact CG-CD2 4.29Å; F565-W570 HydrophobicContact CG-CG 4.45Å; F565-W570 HydrophobicContact CZ-CH2 4.45Å; D567-W570 PolarHBondContact OD1-N 3.34Å; W570-V598 HydrophobicContact CB-CB 4.11Å; W570-V598 HydrophobicContact CB-CG2 3.96Å; W570-V598 PolarHBondContact O-N 2.72Å; W570-L615 HydrophobicContact CE3-CD1 4.09Å; W570-L615 HydrophobicContact CE3-CD2 3.67Å; W570-L615 HydrophobicContact CE3-CG 3.59Å; W570-L615 HydrophobicContact CH2-CD2 4.31Å; W570-L615 HydrophobicContact CZ3-CD2 3.38Å; W570-L615 HydrophobicContact CZ3-CG 3.63Å; W570-L616 VanDerWaalsContact CE3-O 3.31Å; W570-A617 HydrophobicContact CE3-CB 4.18Å; W570-A617 HydrophobicContact CH2-CB 3.5Å; W570-A617 VanDerWaalsContact CH2-CB 3.5Å; W570-A617 HydrophobicContact CZ2-CB 4.25Å; W570-A617 HydrophobicContact CZ3-CB 3.45Å; W570-A617 VanDerWaalsContact CZ3-CB 3.45Å; W570-P618 HydrophobicContact CG-CG 4.48Å; W570-V621 HydrophobicContact CH2-CG1 4.3Å; W570-V621 HydrophobicContact CZ2-CG1 3.51Å; W570-V623 HydrophobicContact CH2-CG2 3.92Å; W570-V623 HydrophobicContact CZ2-CG1 4.17Å; W570-V623 HydrophobicContact CZ2-CG2 4Å |
| 571 | K | 96.3 | Very high | 93.6 | Very high | 52 Ų | 52 | 33 Ų | 33 | 23% | 0.226 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.2 | 177.5 | -54.3 | 178.3 | -178.2 | 174.7 | 0 | 111.3 | F596 L616 | K571-F596 CarbonylContact C-O 3.58Å; K571-F596 WeakPolarHBondContact CA-O 3.46Å; K571-L616 HydrophobicContact CB-CB 4.08Å; K571-L616 HydrophobicContact CB-CD2 4.33Å; K571-L616 PolarHBondContact N-O 2.63Å; K571-L616 PolarHBondContact O-N 3.34Å |
| 572 | I | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 136.1 | 163.3 | -63.4 | 156.9 | 0 | 0 | 0 | 107.6 | M559 L561 R595 F596 V598 M603 V605 I613 Y614 L615 | M559-I572 HydrophobicContact CB-CD1 4.25Å; M559-I572 HydrophobicContact CE-CD1 4.17Å; M559-I572 HydrophobicContact CE-CG1 4.16Å; M559-I572 HydrophobicContact CE-CG2 4.46Å; M559-I572 HydrophobicContact CG-CD1 4.44Å; M559-I572 HydrophobicContact SD-CB 4.36Å; M559-I572 HydrophobicContact SD-CD1 3.54Å; M559-I572 VanDerWaalsContact SD-CD1 3.54Å; M559-I572 HydrophobicContact SD-CG1 3.87Å; M559-I572 HydrophobicContact SD-CG2 3.59Å; M559-I572 VanDerWaalsContact SD-CG2 3.59Å; L561-I572 HydrophobicContact CD1-CD1 3.85Å; L561-I572 HydrophobicContact CD2-CD1 4.32Å; I572-R595 CarbonylContact O-C 3.49Å; I572-R595 VanDerWaalsContact O-CA 3.25Å; I572-R595 WeakPolarHBondContact O-CA 3.22Å; I572-F596 HydrophobicContact CB-CB 4.38Å; I572-F596 PolarHBondContact N-O 3.49Å; I572-F596 PolarHBondContact O-N 2.74Å; I572-V598 HydrophobicContact CD1-CG2 4.36Å; I572-V598 HydrophobicContact CG1-CG2 4.2Å; I572-M603 HydrophobicContact CD1-SD 4.46Å; I572-V605 HydrophobicContact CB-CG1 4.41Å; I572-V605 HydrophobicContact CD1-CG1 3.88Å; I572-V605 HydrophobicContact CG2-CB 4.49Å; I572-V605 HydrophobicContact CG2-CG1 4.15Å; I572-V605 HydrophobicContact CG2-CG2 4.39Å; I572-I613 HydrophobicContact CG2-CG2 4.39Å; I572-Y614 WeakPolarHBondContact CA-O 3.45Å; I572-L615 HydrophobicContact CG1-CD1 4.22Å |
| 573 | Q | 98 | Very high | 93 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 138.3 | 173.8 | -178.1 | -178.2 | -77 | 0 | 0 | 110.3 | G575 I593 K594 R595 Y614 L616 | Q573-G575 PolarHBondContact NE2-O 2.96Å; Q573-I593 HydrophobicContact CG-CG2 3.6Å; Q573-K594 WeakPolarHBondContact CA-O 3.44Å; Q573-R595 HydrophobicContact CB-CG 4.08Å; Q573-R595 HydrophobicContact CG-CG 3.94Å; Q573-R595 VanDerWaalsContact OE1-CZ 3.24Å; Q573-Y614 HydrophobicContact CB-CD2 4.48Å; Q573-Y614 HydrophobicContact CG-CD2 4.44Å; Q573-Y614 PolarHBondContact N-O 3.01Å; Q573-Y614 PolarHBondContact O-N 2.9Å; Q573-L616 HydrophobicContact CB-CD1 3.48Å; Q573-L616 VanDerWaalsContact CB-CD1 3.48Å; Q573-L616 HydrophobicContact CB-CD2 4.34Å; Q573-L616 HydrophobicContact CG-CD1 4.44Å |
| 574 | I | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.6 | 171.5 | -59.6 | 161.8 | 0 | 0 | 0 | 108 | L551 I593 K594 F596 V605 W606 N607 L612 | L551-I574 HydrophobicContact CD1-CD1 3.53Å; L551-I574 HydrophobicContact CD1-CG1 4.08Å; L551-I574 HydrophobicContact CD1-CG2 4.4Å; I574-I593 WeakPolarHBondContact O-CA 3.24Å; I574-K594 PolarHBondContact N-O 3.11Å; I574-K594 PolarHBondContact O-N 2.85Å; I574-F596 HydrophobicContact CD1-CE2 4.02Å; I574-V605 HydrophobicContact CD1-CB 3.91Å; I574-V605 HydrophobicContact CD1-CG2 4.02Å; I574-W606 WeakPolarHBondContact CD1-O 3.41Å; I574-N607 HydrophobicContact CB-CB 3.9Å; I574-N607 HydrophobicContact CD1-CB 4.49Å; I574-N607 HydrophobicContact CG2-CB 3.51Å; I574-N607 PolarHBondContact O-ND2 2.67Å; I574-L612 CarbonylContact C-O 3.53Å; I574-L612 WeakPolarHBondContact CA-O 3.38Å |
| 575 | G | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | 106.7 | 150.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q573 L612 Y614 | Q573-G575 PolarHBondContact NE2-O 2.96Å; G575-L612 PolarHBondContact N-O 2.85Å; G575-Y614 VanDerWaalsContact O-CE2 3.27Å; G575-Y614 WeakPolarHBondContact O-CE2 3.45Å | ||
| 576 | C | 97 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -108.9 | -20.4 | -174.4 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | S578 Y614 T670 V713 | C576-S578 PolarHBondContact O-N 3.45Å; C576-Y614 HydrophobicContact CB-CE2 4.1Å; C576-Y614 VanDerWaalsContact CB-OH 3.28Å; C576-Y614 WeakPolarHBondContact CB-OH 3.47Å; C576-T670 HydrophobicContact CB-CG2 3.96Å; C576-V713 HydrophobicContact CB-CG1 4.39Å; C576-V713 HydrophobicContact CB-CG2 4.25Å |
| 577 | Q | 93.4 | Very high | 93.5 | Very high | 18 Ų | 18 | 43.4 Ų | 43.4 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | trans | -79.6 | 108 | -174.5 | -56.3 | 80.6 | -6.8 | 0 | 0 | 112 | D579 V592 I593 D715 M730 | Q577-D579 VanDerWaalsContact C-N 3.28Å; Q577-D579 PolarHBondContact O-N 3.33Å; Q577-V592 HydrophobicContact CB-CG2 3.67Å; Q577-V592 HydrophobicContact CG-CG2 3.89Å; Q577-V592 VanDerWaalsContact OE1-CG2 3.29Å; Q577-I593 WeakPolarHBondContact O-CD1 3.37Å; Q577-I593 WeakPolarHBondContact O-CG1 3.49Å; Q577-D715 HydrophobicContact CG-CB 4.32Å; Q577-D715 WeakPolarHBondContact CG-OD2 3.25Å; Q577-M730 HydrophobicContact CB-CE 4.39Å | ||
| 578 | S | 90.4 | Very high | 94 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 35% | 0.35 | 21% | 0.213 | S | C | . | . | trans | -72.6 | -18.7 | -179.7 | 50.2 | 0 | 0 | 0 | 0 | 114.7 | C576 M730 | C576-S578 PolarHBondContact O-N 3.45Å; S578-M730 PolarHBondContact OG-SD 3.42Å; S578-M730 VanDerWaalsContact OG-SD 3.38Å | ||
| 579 | D | 95 | Very high | 94.7 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 8% | 0.08 | 19% | 0.193 | C | C | . | . | trans | -80.4 | 127.1 | -168.6 | -81.9 | 16.1 | 0 | 0 | 0 | 113.8 | Q577 L581 R588 S719 H724 M730 | Q577-D579 VanDerWaalsContact C-N 3.28Å; Q577-D579 PolarHBondContact O-N 3.33Å; D579-L581 HydrophobicContact CB-CD2 4.45Å; D579-R588 PolarHBondContact O-NH1 2.96Å; D579-R588 PolarHBondContact O-NH2 3.24Å; D579-S719 WeakPolarHBondContact OD2-CA 3.23Å; D579-S719 WeakPolarHBondContact OD2-CB 3.33Å; D579-S719 PolarHBondContact OD2-N 3.2Å; D579-S719 PolarHBondContact OD2-OG 2.95Å; D579-H724 IonicContact OD1-CE1 2.99Å; D579-H724 PolarHBondContact OD1-CE1 3.48Å; D579-H724 IonicContact OD1-NE2 2.86Å; D579-H724 PolarHBondContact OD1-NE2 2.95Å; D579-H724 IonicContact OD2-CE1 3.99Å; D579-H724 IonicContact OD2-NE2 3.93Å; D579-H724 PolarHBondContact OD2-NE2 3.18Å; D579-M730 HydrophobicContact CB-CE 4.43Å | ||
| 580 | A | 93.1 | Very high | 94.9 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 28% | 0.281 | 18% | 0.179 | S | C | . | . | trans | -89.1 | 112.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P590 R591 | A580-P590 WeakPolarHBondContact CA-O 3.31Å; A580-R591 HydrophobicContact CB-CG 4.03Å | ||
| 581 | L | 94.4 | Very high | 94.9 | Very high | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | trans | -81.9 | 130.6 | -177.4 | -53.3 | 175.1 | 0 | 0 | 0 | 111.4 | D579 L586 R588 P590 Q717 | D579-L581 HydrophobicContact CB-CD2 4.45Å; L581-L586 HydrophobicContact CB-CD2 3.76Å; L581-L586 HydrophobicContact CD1-CD2 4.09Å; L581-R588 HydrophobicContact CD1-CG 3.74Å; L581-P590 PolarHBondContact N-O 3.04Å; L581-Q717 HydrophobicContact CD1-CB 4.35Å; L581-Q717 HydrophobicContact CD1-CG 4.13Å; L581-Q717 VanDerWaalsContact CD1-OE1 3.27Å; L581-Q717 HydrophobicContact CD2-CG 4.23Å | ||
| 582 | V | 88.6 | Confident | 94.8 | Very high | 138 Ų | 138 | 41.1 Ų | 41.1 | 84% | 0.836 | 20% | 0.203 | S | C | * | . | trans | -119.8 | 18.5 | 174.6 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 583 | K | 90.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 43 Ų | 43 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | trans | -80.3 | 150.1 | -176.4 | -63.3 | -175.5 | 175.1 | 175.2 | 0 | 110.9 | H494 K585 I718 S719 | H494-K583 PolarHBondContact NE2-O 3.41Å; K583-K585 VanDerWaalsContact C-N 3.27Å; K583-K585 WeakPolarHBondContact CB-O 3.19Å; K583-K585 PolarHBondContact O-N 3.23Å; K583-I718 WeakPolarHBondContact CE-O 3.22Å; K583-I718 PolarHBondContact NZ-O 3.24Å; K583-S719 WeakPolarHBondContact CE-O 3.25Å; K583-S719 PolarHBondContact NZ-O 3.15Å | ||
| 584 | K | 91.3 | Very high | 94.6 | Very high | 192 Ų | 192 | 44.7 Ų | 44.7 | 84% | 0.835 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -64.6 | -31.1 | 173.9 | -66.3 | -172.3 | 177.6 | -172.9 | 0 | 113 | H494 | H494-K584 PolarHBondContact CD2-O 3.32Š|
| 585 | K | 95.5 | Very high | 94.4 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -103.8 | 124.8 | 175.3 | -178 | -164 | -179.1 | -159.9 | 0 | 108.2 | P487 V488 K489 K583 E587 Q717 | P487-K585 HydrophobicContact CB-CD 4.13Å; P487-K585 HydrophobicContact CB-CG 3.72Å; P487-K585 HydrophobicContact CG-CD 4.44Å; P487-K585 HydrophobicContact CG-CG 4.38Å; V488-K585 WeakPolarHBondContact O-CA 3.39Å; K489-K585 HydrophobicContact CG-CB 4.41Å; K489-K585 HydrophobicContact CG-CG 4.04Å; K583-K585 VanDerWaalsContact C-N 3.27Å; K583-K585 WeakPolarHBondContact CB-O 3.19Å; K583-K585 PolarHBondContact O-N 3.23Å; K585-E587 VanDerWaalsContact CE-OE1 3.3Å; K585-E587 WeakPolarHBondContact CE-OE1 3.34Å; K585-E587 IonicContact NZ-OE1 3.39Å; K585-E587 PolarHBondContact NZ-OE1 3.33Å; K585-Q717 PolarHBondContact O-NE2 3.24Å |
| 586 | L | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -116.2 | 125 | 177 | -64.5 | 177.9 | 0 | 0 | 0 | 110.5 | P487 V488 H494 L497 L581 P590 | P487-L586 CarbonylContact C-O 3.57Å; P487-L586 VanDerWaalsContact CA-O 3.3Å; P487-L586 WeakPolarHBondContact CA-O 3.25Å; V488-L586 HydrophobicContact CB-CB 4.33Å; V488-L586 PolarHBondContact N-O 3.28Å; V488-L586 PolarHBondContact O-N 3.3Å; H494-L586 VanDerWaalsContact CD2-CD1 3.46Å; H494-L586 WeakPolarHBondContact CD2-CD1 3.41Å; H494-L586 VanDerWaalsContact NE2-CD1 3.29Å; H494-L586 WeakPolarHBondContact NE2-CD1 3.42Å; H494-L586 WeakPolarHBondContact NE2-CG 3.02Å; L497-L586 HydrophobicContact CD2-CB 4.21Å; L497-L586 HydrophobicContact CD2-CD1 3.94Å; L581-L586 HydrophobicContact CB-CD2 3.76Å; L581-L586 HydrophobicContact CD1-CD2 4.09Å; L586-P590 HydrophobicContact CD1-CG 3.7Å; L586-P590 HydrophobicContact CD2-CG 4.45Å |
| 587 | E | 97.1 | Very high | 94.2 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -101.6 | -3.8 | 174.6 | -64.4 | 171.7 | -172.6 | 0 | 0 | 111.5 | A482 S483 P487 K585 V716 Q717 | A482-E587 CarbonylContact C-O 3.23Å; A482-E587 VanDerWaalsContact C-O 3.28Å; S483-E587 CarbonylContact C-O 3.55Å; S483-E587 WeakPolarHBondContact CA-O 3.25Å; S483-E587 PolarHBondContact N-O 3.04Å; P487-E587 HydrophobicContact CB-CG 4Å; K585-E587 VanDerWaalsContact CE-OE1 3.3Å; K585-E587 WeakPolarHBondContact CE-OE1 3.34Å; K585-E587 IonicContact NZ-OE1 3.39Å; K585-E587 PolarHBondContact NZ-OE1 3.33Å; E587-V716 HydrophobicContact CB-CG1 4.45Å; E587-V716 HydrophobicContact CB-CG2 4.39Å; E587-Q717 HydrophobicContact CB-CB 4.03Å |
| 588 | R | 95.9 | Very high | 94.2 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -153.9 | 171.9 | 168.1 | 60.2 | 163.1 | 177.9 | 82.3 | -7.5 | 109.7 | D579 L581 P590 D715 V716 Q717 | D579-R588 PolarHBondContact O-NH1 2.96Å; D579-R588 PolarHBondContact O-NH2 3.24Å; L581-R588 HydrophobicContact CD1-CG 3.74Å; R588-P590 PolarHBondContact NH1-O 2.86Å; R588-D715 WeakPolarHBondContact CD-OD1 3.36Å; R588-D715 IonicContact CZ-OD2 2.67Å; R588-D715 IonicContact NE-OD1 3.15Å; R588-D715 PolarHBondContact NE-OD1 3.02Å; R588-D715 IonicContact NE-OD2 3.87Å; R588-D715 PolarHBondContact NE-OD2 3.46Å; R588-D715 IonicContact NH2-OD2 3.76Å; R588-D715 PolarHBondContact NH2-OD2 3.01Å; R588-V716 HydrophobicContact CB-CG1 3.98Å; R588-V716 HydrophobicContact CG-CG1 4.01Å; R588-Q717 PolarHBondContact NE-O 3.42Å; R588-Q717 PolarHBondContact NH2-O 3.13Å |
| 589 | A | 95.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | trans | -57.3 | 145 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L497 R591 V592 W609 | L497-A589 HydrophobicContact CD1-CB 3.95Å; L497-A589 HydrophobicContact CG-CB 4.36Å; A589-R591 VanDerWaalsContact C-N 3.29Å; A589-R591 PolarHBondContact O-N 3.49Å; A589-V592 HydrophobicContact CB-CG1 3.84Å; A589-W609 HydrophobicContact CB-CD2 3.92Å; A589-W609 VanDerWaalsContact CB-CE2 3.44Å; A589-W609 HydrophobicContact CB-CE3 4.25Å; A589-W609 HydrophobicContact CB-CH2 3.79Å; A589-W609 HydrophobicContact CB-CZ2 3.38Å; A589-W609 HydrophobicContact CB-CZ3 4.2Å | ||
| 590 | P | 94.6 | Very high | 94.5 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -58 | -36.5 | -174.6 | -28.8 | 34.9 | 0 | 0 | 0 | 115 | S498 A580 L581 L586 R588 | S498-P590 WeakPolarHBondContact OG-CG 3.45Å; A580-P590 WeakPolarHBondContact CA-O 3.31Å; L581-P590 PolarHBondContact N-O 3.04Å; L586-P590 HydrophobicContact CD1-CG 3.7Å; L586-P590 HydrophobicContact CD2-CG 4.45Å; R588-P590 PolarHBondContact NH1-O 2.86Å |
| 591 | R | 94.1 | Very high | 94.6 | Very high | 177 Ų | 177 | 58.7 Ų | 58.7 | 67% | 0.668 | 28% | 0.283 | S | S | * | . | trans | -137 | 121.8 | 179.4 | -66.2 | 178.7 | -177.4 | -102.2 | 0.4 | 108.8 | A580 A589 | A580-R591 HydrophobicContact CB-CG 4.03Å; A589-R591 VanDerWaalsContact C-N 3.29Å; A589-R591 PolarHBondContact O-N 3.49Å | ||
| 592 | V | 95.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 65 Ų | 65 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | trans | -122.4 | 7.6 | -177.1 | -62.7 | 0 | 0 | 0 | 0 | 113.1 | Q577 A589 N607 W609 | Q577-V592 HydrophobicContact CB-CG2 3.67Å; Q577-V592 HydrophobicContact CG-CG2 3.89Å; Q577-V592 VanDerWaalsContact OE1-CG2 3.29Å; A589-V592 HydrophobicContact CB-CG1 3.84Å; V592-N607 PolarHBondContact O-ND2 3.35Å; V592-W609 HydrophobicContact CB-CB 4.13Å; V592-W609 HydrophobicContact CB-CG 4.22Å; V592-W609 HydrophobicContact CG1-CB 4.1Å; V592-W609 HydrophobicContact CG1-CD2 4.36Å; V592-W609 HydrophobicContact CG1-CG 3.84Å | ||
| 593 | I | 95.4 | Very high | 95.2 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | trans | -99.1 | 136.6 | 171.2 | -75.3 | -178.2 | 0 | 0 | 0 | 110.1 | W544 Q573 I574 Q577 R595 | W544-I593 HydrophobicContact CH2-CD1 4.14Å; Q573-I593 HydrophobicContact CG-CG2 3.6Å; I574-I593 WeakPolarHBondContact O-CA 3.24Å; Q577-I593 WeakPolarHBondContact O-CD1 3.37Å; Q577-I593 WeakPolarHBondContact O-CG1 3.49Å; I593-R595 HydrophobicContact CG2-CG 3.98Å | ||
| 594 | K | 95.5 | Very high | 95.5 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 15% | 0.148 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141 | 163.7 | -165.3 | 163.6 | 177.3 | 179.9 | 0 | 110.6 | D505 Q573 I574 F596 W606 N607 | D505-K594 IonicContact OD1-NZ 3.95Å; D505-K594 PolarHBondContact OD1-NZ 3.41Å; D505-K594 WeakPolarHBondContact OD2-CE 3.16Å; D505-K594 IonicContact OD2-NZ 3.68Å; D505-K594 PolarHBondContact OD2-NZ 2.95Å; Q573-K594 WeakPolarHBondContact CA-O 3.44Å; I574-K594 PolarHBondContact N-O 3.11Å; I574-K594 PolarHBondContact O-N 2.85Å; K594-F596 HydrophobicContact CB-CE2 4.19Å; K594-F596 HydrophobicContact CD-CE1 4.49Å; K594-F596 HydrophobicContact CD-CE2 3.99Å; K594-F596 HydrophobicContact CD-CZ 3.63Å; K594-F596 VanDerWaalsContact CE-CZ 3.43Å; K594-F596 HydrophobicContact CG-CD2 4.48Å; K594-F596 HydrophobicContact CG-CE2 3.67Å; K594-F596 HydrophobicContact CG-CZ 3.8Å; K594-W606 WeakPolarHBondContact CD-O 3.43Å; K594-W606 VanDerWaalsContact NZ-CZ2 3.34Å; K594-W606 VanDerWaalsContact NZ-NE1 3.19Å; K594-N607 HydrophobicContact CB-CB 4.2Å; K594-N607 PolarHBondContact N-ND2 3.08Å |
| 595 | R | 95.1 | Very high | 95.8 | Very high | 118 Ų | 118 | 52.1 Ų | 52.1 | 45% | 0.445 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.5 | -179.2 | -70.6 | 177.7 | 177.3 | 163.2 | 0.6 | 110.6 | I572 Q573 I593 | I572-R595 CarbonylContact O-C 3.49Å; I572-R595 VanDerWaalsContact O-CA 3.25Å; I572-R595 WeakPolarHBondContact O-CA 3.22Å; Q573-R595 HydrophobicContact CB-CG 4.08Å; Q573-R595 HydrophobicContact CG-CG 3.94Å; Q573-R595 VanDerWaalsContact OE1-CZ 3.24Å; I593-R595 HydrophobicContact CG2-CG 3.98Å |
| 596 | F | 94.8 | Very high | 95.9 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 10% | 0.096 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 117.4 | 179.5 | -59.5 | -97.1 | 0 | 0 | 0 | 108.8 | K571 I572 I574 K594 M603 V605 W606 | K571-F596 CarbonylContact C-O 3.58Å; K571-F596 WeakPolarHBondContact CA-O 3.46Å; I572-F596 HydrophobicContact CB-CB 4.38Å; I572-F596 PolarHBondContact N-O 3.49Å; I572-F596 PolarHBondContact O-N 2.74Å; I574-F596 HydrophobicContact CD1-CE2 4.02Å; K594-F596 HydrophobicContact CB-CE2 4.19Å; K594-F596 HydrophobicContact CD-CE1 4.49Å; K594-F596 HydrophobicContact CD-CE2 3.99Å; K594-F596 HydrophobicContact CD-CZ 3.63Å; K594-F596 VanDerWaalsContact CE-CZ 3.43Å; K594-F596 HydrophobicContact CG-CD2 4.48Å; K594-F596 HydrophobicContact CG-CE2 3.67Å; K594-F596 HydrophobicContact CG-CZ 3.8Å; F596-M603 HydrophobicContact CB-CE 4.33Å; F596-V605 HydrophobicContact CB-CG1 4.17Å; F596-V605 HydrophobicContact CD1-CG1 4.18Å; F596-V605 HydrophobicContact CD2-CB 4.02Å; F596-V605 HydrophobicContact CD2-CG1 3.83Å; F596-V605 HydrophobicContact CE2-CB 3.97Å; F596-V605 HydrophobicContact CE2-CG1 4.25Å; F596-V605 HydrophobicContact CG-CB 4.41Å; F596-V605 HydrophobicContact CG-CG1 3.8Å; F596-V605 HydrophobicContact CZ-CB 4.28Å; F596-W606 HydrophobicContact CE1-CE3 4.05Å; F596-W606 HydrophobicContact CE1-CH2 4.26Å; F596-W606 AromaticContact CE1-CZ3 3.89Å; F596-W606 HydrophobicContact CE1-CZ3 3.89Å; F596-W606 VanDerWaalsContact CE2-O 3.3Å; F596-W606 WeakPolarHBondContact CE2-O 3.34Å; F596-W606 HydrophobicContact CZ-CD2 4.21Å; F596-W606 HydrophobicContact CZ-CE3 4.06Å; F596-W606 HydrophobicContact CZ-CZ3 4.36Å; F596-W606 VanDerWaalsContact CZ-O 3.23Å; F596-W606 WeakPolarHBondContact CZ-O 3.44Å |
| 597 | P | 94.1 | Very high | 95.9 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 137.9 | 168.3 | -18.4 | 31.4 | 0 | 0 | 0 | 110.3 | T599 M603 | P597-T599 HydrophobicContact CB-CG2 4.41Å; P597-T599 PolarHBondContact O-N 3.2Å; P597-T599 VanDerWaalsContact O-N 3.13Å; P597-M603 WeakPolarHBondContact O-CE 3.39Å |
| 598 | V | 94.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -78.4 | 101.1 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | L561 F565 V566 N568 W570 I572 M603 | L561-V598 HydrophobicContact CD1-CB 4.33Å; L561-V598 HydrophobicContact CD1-CG1 3.44Å; L561-V598 VanDerWaalsContact CD1-CG1 3.44Å; L561-V598 HydrophobicContact CD1-CG2 3.97Å; F565-V598 HydrophobicContact CB-CG1 4.13Å; F565-V598 WeakPolarHBondContact O-CB 3.33Å; F565-V598 VanDerWaalsContact O-CG1 3.24Å; F565-V598 WeakPolarHBondContact O-CG1 3.43Å; V566-V598 HydrophobicContact CG2-CG1 4.2Å; N568-V598 PolarHBondContact N-O 3.04Å; N568-V598 VanDerWaalsContact N-O 3.07Å; W570-V598 HydrophobicContact CB-CB 4.11Å; W570-V598 HydrophobicContact CB-CG2 3.96Å; W570-V598 PolarHBondContact O-N 2.72Å; I572-V598 HydrophobicContact CD1-CG2 4.36Å; I572-V598 HydrophobicContact CG1-CG2 4.2Å; V598-M603 HydrophobicContact CB-SD 4.41Å; V598-M603 HydrophobicContact CG1-SD 4.3Å | ||
| 599 | T | 94.5 | Very high | 95.9 | Very high | 81 Ų | 81 | 50.6 Ų | 50.6 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | trans | -105.8 | -16.7 | -175.1 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | V566 N568 P597 | V566-T599 WeakPolarHBondContact CG1-O 3.42Å; N568-T599 WeakPolarHBondContact OD1-CG2 3.28Å; P597-T599 HydrophobicContact CB-CG2 4.41Å; P597-T599 PolarHBondContact O-N 3.2Å; P597-T599 VanDerWaalsContact O-N 3.13Å | ||
| 600 | S | 96.1 | Very high | 95.9 | Very high | 47 Ų | 47 | 50.5 Ų | 50.5 | 33% | 0.329 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -152.8 | 158.9 | -178 | 50.1 | 0 | 0 | 0 | 0 | 111 | R602 M603 | S600-R602 PolarHBondContact O-N 2.98Å; S600-R602 PolarHBondContact OG-O 3.19Å; S600-M603 WeakPolarHBondContact O-CG 3.35Å; S600-M603 WeakPolarHBondContact OG-CG 3.48Å |
| 601 | E | 96.8 | Very high | 96.1 | Very high | 103 Ų | 103 | 49.8 Ų | 49.8 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -63.9 | -28 | 176.8 | -68.3 | 177.1 | -131.4 | 0 | 0 | 112.7 | I560 L561 P563 V566 | I560-E601 CarbonylContact C-O 3.49Å; I560-E601 VanDerWaalsContact CA-O 3.28Å; I560-E601 WeakPolarHBondContact CA-O 3.49Å; L561-E601 PolarHBondContact N-O 3Å; P563-E601 HydrophobicContact CG-CG 4.23Å; V566-E601 HydrophobicContact CG2-CG 3.98Å |
| 602 | R | 97.8 | Very high | 96.3 | Very high | 140 Ų | 140 | 41.4 Ų | 41.4 | 53% | 0.528 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 125.5 | 175.1 | -66.6 | -179.1 | 179.6 | -101.7 | 0.3 | 109.1 | E558 M559 I560 S600 | E558-R602 IonicContact OE1-CZ 3.36Å; E558-R602 IonicContact OE1-NH1 3.19Å; E558-R602 PolarHBondContact OE1-NH1 3.23Å; M559-R602 WeakPolarHBondContact O-CA 3.3Å; I560-R602 HydrophobicContact CG1-CG 4.45Å; S600-R602 PolarHBondContact O-N 2.98Å; S600-R602 PolarHBondContact OG-O 3.19Å |
| 603 | M | 97 | Very high | 96.5 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 133.1 | -178.5 | -68.4 | -168.4 | 75.7 | 0 | 0 | 110.9 | E558 M559 L561 I572 F596 P597 V598 S600 | E558-M603 CarbonylContact C-O 3.33Å; E558-M603 WeakPolarHBondContact CA-O 3.47Å; M559-M603 PolarHBondContact N-O 2.76Å; M559-M603 PolarHBondContact O-N 3.36Å; L561-M603 HydrophobicContact CD1-CG 4.35Å; L561-M603 HydrophobicContact CD1-SD 4.15Å; I572-M603 HydrophobicContact CD1-SD 4.46Å; F596-M603 HydrophobicContact CB-CE 4.33Å; P597-M603 WeakPolarHBondContact O-CE 3.39Å; V598-M603 HydrophobicContact CB-SD 4.41Å; V598-M603 HydrophobicContact CG1-SD 4.3Å; S600-M603 WeakPolarHBondContact O-CG 3.35Å; S600-M603 WeakPolarHBondContact OG-CG 3.48Å |
| 604 | Q | 97.4 | Very high | 96.6 | Very high | 110 Ų | 110 | 38.9 Ų | 38.9 | 51% | 0.514 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 129.4 | 167.2 | -168.9 | 176.2 | 55.4 | 0 | 0 | 109.5 | K556 T557 W606 | K556-Q604 HydrophobicContact CB-CG 4.28Å; T557-Q604 WeakPolarHBondContact O-CA 3.09Å; Q604-W606 HydrophobicContact CG-CE3 4.49Å |
| 605 | V | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.4 | 179.5 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | K556 T557 M559 I572 I574 F596 | K556-V605 WeakPolarHBondContact CA-O 3.38Å; T557-V605 HydrophobicContact CG2-CG2 3.73Å; T557-V605 PolarHBondContact N-O 3.46Å; T557-V605 PolarHBondContact O-N 3.38Å; M559-V605 HydrophobicContact CG-CG2 3.87Å; M559-V605 HydrophobicContact SD-CG2 3.77Å; I572-V605 HydrophobicContact CB-CG1 4.41Å; I572-V605 HydrophobicContact CD1-CG1 3.88Å; I572-V605 HydrophobicContact CG2-CB 4.49Å; I572-V605 HydrophobicContact CG2-CG1 4.15Å; I572-V605 HydrophobicContact CG2-CG2 4.39Å; I574-V605 HydrophobicContact CD1-CB 3.91Å; I574-V605 HydrophobicContact CD1-CG2 4.02Å; F596-V605 HydrophobicContact CB-CG1 4.17Å; F596-V605 HydrophobicContact CD1-CG1 4.18Å; F596-V605 HydrophobicContact CD2-CB 4.02Å; F596-V605 HydrophobicContact CD2-CG1 3.83Å; F596-V605 HydrophobicContact CE2-CB 3.97Å; F596-V605 HydrophobicContact CE2-CG1 4.25Å; F596-V605 HydrophobicContact CG-CB 4.41Å; F596-V605 HydrophobicContact CG-CG1 3.8Å; F596-V605 HydrophobicContact CZ-CB 4.28Å |
| 606 | W | 97.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 31.8 Ų | 31.8 | 16% | 0.163 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 170.2 | -178.9 | 69.4 | 99.5 | 0 | 0 | 0 | 111.4 | Y504 D505 M555 K556 I574 K594 F596 Q604 | Y504-W606 AromaticContact CE1-CD1 3.96Å; Y504-W606 AromaticContact CE1-NE1 3.98Å; D505-W606 PolarHBondContact OD1-NE1 3.39Å; M555-W606 WeakPolarHBondContact O-CB 3.11Å; K556-W606 HydrophobicContact CB-CB 4.41Å; K556-W606 HydrophobicContact CG-CB 3.87Å; K556-W606 HydrophobicContact CG-CG 4.28Å; I574-W606 WeakPolarHBondContact CD1-O 3.41Å; K594-W606 WeakPolarHBondContact CD-O 3.43Å; K594-W606 VanDerWaalsContact NZ-CZ2 3.34Å; K594-W606 VanDerWaalsContact NZ-NE1 3.19Å; F596-W606 HydrophobicContact CE1-CE3 4.05Å; F596-W606 HydrophobicContact CE1-CH2 4.26Å; F596-W606 AromaticContact CE1-CZ3 3.89Å; F596-W606 HydrophobicContact CE1-CZ3 3.89Å; F596-W606 VanDerWaalsContact CE2-O 3.3Å; F596-W606 WeakPolarHBondContact CE2-O 3.34Å; F596-W606 HydrophobicContact CZ-CD2 4.21Å; F596-W606 HydrophobicContact CZ-CE3 4.06Å; F596-W606 HydrophobicContact CZ-CZ3 4.36Å; F596-W606 VanDerWaalsContact CZ-O 3.23Å; F596-W606 WeakPolarHBondContact CZ-O 3.44Å; Q604-W606 HydrophobicContact CG-CE3 4.49Å |
| 607 | N | 97 | Very high | 96.8 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | trans | -149.1 | 134.4 | 168 | -174.1 | -14.6 | 0 | 0 | 0 | 109.1 | G554 I574 V592 K594 W609 G610 | G554-N607 PolarHBondContact N-O 3.2Å; I574-N607 HydrophobicContact CB-CB 3.9Å; I574-N607 HydrophobicContact CD1-CB 4.49Å; I574-N607 HydrophobicContact CG2-CB 3.51Å; I574-N607 PolarHBondContact O-ND2 2.67Å; V592-N607 PolarHBondContact O-ND2 3.35Å; K594-N607 HydrophobicContact CB-CB 4.2Å; K594-N607 PolarHBondContact N-ND2 3.08Å; N607-W609 PolarHBondContact O-N 3.44Å; N607-W609 PolarHBondContact OD1-N 3.38Å; N607-W609 VanDerWaalsContact OD1-N 3.11Å; N607-G610 PolarHBondContact ND2-O 3.44Å; N607-G610 PolarHBondContact O-N 3.09Å | ||
| 608 | L | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -43.1 | 175.4 | 169.5 | 60.7 | 0 | 0 | 0 | 111.6 | A500 Y504 L514 I517 I518 P553 G554 G610 | A500-L608 HydrophobicContact CB-CD2 4.26Å; Y504-L608 HydrophobicContact CD1-CB 3.82Å; Y504-L608 HydrophobicContact CD1-CD1 4.15Å; Y504-L608 HydrophobicContact CD1-CG 4.42Å; Y504-L608 HydrophobicContact CD2-CD1 3.73Å; Y504-L608 HydrophobicContact CE1-CB 4.14Å; Y504-L608 HydrophobicContact CE1-CD1 4.38Å; Y504-L608 HydrophobicContact CE2-CD1 3.97Å; Y504-L608 HydrophobicContact CG-CB 4.23Å; Y504-L608 HydrophobicContact CG-CD1 3.8Å; Y504-L608 HydrophobicContact CG-CD2 4.3Å; Y504-L608 HydrophobicContact CG-CG 4.32Å; L514-L608 HydrophobicContact CD1-CD1 3.79Å; I517-L608 HydrophobicContact CB-CD1 4.35Å; I517-L608 HydrophobicContact CD1-CD1 4.33Å; I517-L608 HydrophobicContact CD1-CD2 4.41Å; I517-L608 HydrophobicContact CG2-CD1 3.9Å; I517-L608 HydrophobicContact CG2-CD2 3.98Å; I517-L608 HydrophobicContact CG2-CG 4.34Å; I518-L608 HydrophobicContact CD1-CD1 4.47Å; I518-L608 HydrophobicContact CG1-CD1 4.14Å; P553-L608 CarbonylContact C-O 3.53Å; P553-L608 WeakPolarHBondContact CA-O 3.35Å; P553-L608 VanDerWaalsContact CB-O 3.25Å; P553-L608 WeakPolarHBondContact CB-O 3.41Å; G554-L608 PolarHBondContact N-O 2.95Å; L608-G610 VanDerWaalsContact C-N 3.33Å |
| 609 | W | 96.3 | Very high | 96.8 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 16% | 0.159 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -1.1 | -175.3 | -53.3 | 104.2 | 0 | 0 | 0 | 113.6 | L497 A500 T501 I517 I518 A589 V592 N607 | L497-W609 HydrophobicContact CD1-CH2 3.69Å; L497-W609 HydrophobicContact CD1-CZ2 4.24Å; A500-W609 HydrophobicContact CB-CH2 4.34Å; A500-W609 HydrophobicContact CB-CZ2 4.06Å; T501-W609 PolarHBondContact OG1-NE1 3.13Å; I517-W609 HydrophobicContact CG2-CH2 4.07Å; I517-W609 HydrophobicContact CG2-CZ3 4.47Å; I518-W609 HydrophobicContact CD1-CE3 3.63Å; I518-W609 HydrophobicContact CD1-CH2 4.46Å; I518-W609 HydrophobicContact CD1-CZ3 3.5Å; A589-W609 HydrophobicContact CB-CD2 3.92Å; A589-W609 VanDerWaalsContact CB-CE2 3.44Å; A589-W609 HydrophobicContact CB-CE3 4.25Å; A589-W609 HydrophobicContact CB-CH2 3.79Å; A589-W609 HydrophobicContact CB-CZ2 3.38Å; A589-W609 HydrophobicContact CB-CZ3 4.2Å; V592-W609 HydrophobicContact CB-CB 4.13Å; V592-W609 HydrophobicContact CB-CG 4.22Å; V592-W609 HydrophobicContact CG1-CB 4.1Å; V592-W609 HydrophobicContact CG1-CD2 4.36Å; V592-W609 HydrophobicContact CG1-CG 3.84Å; N607-W609 PolarHBondContact O-N 3.44Å; N607-W609 PolarHBondContact OD1-N 3.38Å; N607-W609 VanDerWaalsContact OD1-N 3.11Å |
| 610 | G | 96.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | trans | 67.1 | -168.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112 | L551 N607 L608 | L551-G610 CarbonylContact O-C 3.55Å; L551-G610 WeakPolarHBondContact O-CA 3.45Å; N607-G610 PolarHBondContact ND2-O 3.44Å; N607-G610 PolarHBondContact O-N 3.09Å; L608-G610 VanDerWaalsContact C-N 3.33Å | ||
| 611 | G | 97.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.8 | 166.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y550 L551 | Y550-G611 WeakPolarHBondContact CA-O 3.19Å; Y550-G611 WeakPolarHBondContact CD2-O 3.33Å; Y550-G611 VanDerWaalsContact CE2-CA 3.43Å; Y550-G611 VanDerWaalsContact CE2-N 3.28Å; L551-G611 PolarHBondContact N-O 2.83Å; L551-G611 PolarHBondContact O-N 3.47Å |
| 612 | L | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 143.7 | 169.9 | -69.4 | 169.6 | 0 | 0 | 0 | 110.3 | L549 I574 G575 Y614 A636 W659 E661 T670 | L549-L612 CarbonylContact O-C 2.95Å; L549-L612 WeakPolarHBondContact O-CA 3.3Å; I574-L612 CarbonylContact C-O 3.53Å; I574-L612 WeakPolarHBondContact CA-O 3.38Å; G575-L612 PolarHBondContact N-O 2.85Å; L612-Y614 HydrophobicContact CB-CE2 3.62Å; L612-Y614 WeakPolarHBondContact CB-OH 3.39Å; L612-Y614 WeakPolarHBondContact CD1-OH 3.5Å; L612-Y614 WeakPolarHBondContact O-CD2 2.92Å; L612-Y614 WeakPolarHBondContact O-CE2 3.18Å; L612-A636 HydrophobicContact CD2-CB 3.57Å; L612-W659 HydrophobicContact CD1-CB 3.7Å; L612-W659 HydrophobicContact CD2-CB 4.21Å; L612-W659 HydrophobicContact CG-CB 3.82Å; L612-E661 HydrophobicContact CD1-CG 3.77Å; L612-T670 HydrophobicContact CD1-CG2 3.84Å |
| 613 | I | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 130 | 179 | -50.2 | 174.8 | 0 | 0 | 0 | 109 | T547 L549 L551 M559 I572 V630 A633 | T547-I613 WeakPolarHBondContact CB-O 3.27Å; T547-I613 HydrophobicContact CG2-CB 4.41Å; T547-I613 HydrophobicContact CG2-CG2 4.26Å; T547-I613 VanDerWaalsContact CG2-O 3.27Å; T547-I613 WeakPolarHBondContact CG2-O 3.39Å; T547-I613 PolarHBondContact N-O 2.86Å; T547-I613 PolarHBondContact OG1-O 2.92Å; L549-I613 HydrophobicContact CB-CD1 3.94Å; L549-I613 HydrophobicContact CB-CG1 4.42Å; L549-I613 PolarHBondContact O-N 3.32Å; L551-I613 HydrophobicContact CD1-CD1 4.19Å; L551-I613 HydrophobicContact CD1-CG1 4.29Å; L551-I613 HydrophobicContact CD2-CD1 4.01Å; L551-I613 HydrophobicContact CG-CD1 3.77Å; L551-I613 HydrophobicContact CG-CG1 3.97Å; M559-I613 HydrophobicContact CE-CG2 4.27Å; M559-I613 HydrophobicContact SD-CG2 4.14Å; I572-I613 HydrophobicContact CG2-CG2 4.39Å; I613-V630 HydrophobicContact CD1-CG1 3.99Å; I613-A633 HydrophobicContact CD1-CB 4.25Å |
| 614 | Y | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.9 | 175.7 | -54.3 | -85.4 | 0 | 0 | 0 | 111.1 | W544 I545 I572 Q573 G575 C576 L612 E661 | W544-Y614 HydrophobicContact CB-CD1 4.49Å; W544-Y614 HydrophobicContact CE3-CD1 4.35Å; W544-Y614 HydrophobicContact CE3-CD2 4.49Å; W544-Y614 HydrophobicContact CE3-CE1 4.39Å; W544-Y614 HydrophobicContact CE3-CG 4.39Å; I545-Y614 WeakPolarHBondContact O-CA 3.47Å; I572-Y614 WeakPolarHBondContact CA-O 3.45Å; Q573-Y614 HydrophobicContact CB-CD2 4.48Å; Q573-Y614 HydrophobicContact CG-CD2 4.44Å; Q573-Y614 PolarHBondContact N-O 3.01Å; Q573-Y614 PolarHBondContact O-N 2.9Å; G575-Y614 VanDerWaalsContact O-CE2 3.27Å; G575-Y614 WeakPolarHBondContact O-CE2 3.45Å; C576-Y614 HydrophobicContact CB-CE2 4.1Å; C576-Y614 VanDerWaalsContact CB-OH 3.28Å; C576-Y614 WeakPolarHBondContact CB-OH 3.47Å; L612-Y614 HydrophobicContact CB-CE2 3.62Å; L612-Y614 WeakPolarHBondContact CB-OH 3.39Å; L612-Y614 WeakPolarHBondContact CD1-OH 3.5Å; L612-Y614 WeakPolarHBondContact O-CD2 2.92Å; L612-Y614 WeakPolarHBondContact O-CE2 3.18Å; Y614-E661 WeakPolarHBondContact CE1-OE1 3.25Å; Y614-E661 WeakPolarHBondContact CE1-OE2 3.49Å; Y614-E661 PolarHBondContact OH-OE1 3.25Å |
| 615 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.5 | 161.7 | -168.6 | 69.9 | 0 | 0 | 0 | 108.7 | I534 I545 F565 W570 I572 | I534-L615 HydrophobicContact CD1-CD2 4.29Å; I534-L615 HydrophobicContact CG1-CD2 4.06Å; I534-L615 HydrophobicContact CG2-CD2 3.84Å; I545-L615 HydrophobicContact CB-CB 4.34Å; I545-L615 WeakPolarHBondContact CB-O 3.46Å; I545-L615 PolarHBondContact N-O 3.04Å; I545-L615 PolarHBondContact O-N 2.76Å; F565-L615 HydrophobicContact CD2-CD2 4.3Å; F565-L615 HydrophobicContact CE2-CD2 3.97Å; F565-L615 HydrophobicContact CZ-CD2 4.13Å; W570-L615 HydrophobicContact CE3-CD1 4.09Å; W570-L615 HydrophobicContact CE3-CD2 3.67Å; W570-L615 HydrophobicContact CE3-CG 3.59Å; W570-L615 HydrophobicContact CH2-CD2 4.31Å; W570-L615 HydrophobicContact CZ3-CD2 3.38Å; W570-L615 HydrophobicContact CZ3-CG 3.63Å; I572-L615 HydrophobicContact CG1-CD1 4.22Å |
| 616 | L | 96.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 106.6 | 179.3 | -86.3 | 56.4 | 0 | 0 | 0 | 108.5 | M542 E543 W544 W570 K571 Q573 | M542-L616 HydrophobicContact CE-CD2 3.98Å; M542-L616 HydrophobicContact CE-CG 4.14Å; M542-L616 HydrophobicContact CG-CB 4.37Å; M542-L616 HydrophobicContact SD-CB 3.96Å; M542-L616 HydrophobicContact SD-CD2 3.71Å; M542-L616 HydrophobicContact SD-CG 3.91Å; E543-L616 CarbonylContact O-C 3.57Å; E543-L616 WeakPolarHBondContact O-CA 3.23Å; W544-L616 HydrophobicContact CG-CD1 4.14Å; W544-L616 HydrophobicContact CG-CG 4.38Å; W570-L616 VanDerWaalsContact CE3-O 3.31Å; K571-L616 HydrophobicContact CB-CB 4.08Å; K571-L616 HydrophobicContact CB-CD2 4.33Å; K571-L616 PolarHBondContact N-O 2.63Å; K571-L616 PolarHBondContact O-N 3.34Å; Q573-L616 HydrophobicContact CB-CD1 3.48Å; Q573-L616 VanDerWaalsContact CB-CD1 3.48Å; Q573-L616 HydrophobicContact CB-CD2 4.34Å; Q573-L616 HydrophobicContact CG-CD1 4.44Å |
| 617 | A | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A536 T538 M542 E543 I545 W570 | A536-A617 HydrophobicContact CB-CB 4.03Å; T538-A617 HydrophobicContact CG2-CB 3.65Å; M542-A617 CarbonylContact C-O 3.45Å; M542-A617 WeakPolarHBondContact CA-O 3.4Å; M542-A617 WeakPolarHBondContact CG-O 3.5Å; E543-A617 PolarHBondContact N-O 3.46Å; E543-A617 PolarHBondContact O-N 2.96Å; I545-A617 HydrophobicContact CD1-CB 4.06Å; W570-A617 HydrophobicContact CE3-CB 4.18Å; W570-A617 HydrophobicContact CH2-CB 3.5Å; W570-A617 VanDerWaalsContact CH2-CB 3.5Å; W570-A617 HydrophobicContact CZ2-CB 4.25Å; W570-A617 HydrophobicContact CZ3-CB 3.45Å; W570-A617 VanDerWaalsContact CZ3-CB 3.45Å |
| 618 | P | 94.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 13% | 0.13 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 172 | 176.5 | 34.1 | -39.5 | 0 | 0 | 0 | 110.6 | T538 T569 W570 V621 | T538-P618 VanDerWaalsContact CB-O 3.28Å; T538-P618 WeakPolarHBondContact CB-O 3.39Å; T538-P618 WeakPolarHBondContact CG2-O 3.38Å; T538-P618 PolarHBondContact OG1-O 3.04Å; T569-P618 WeakPolarHBondContact OG1-CG 3.36Å; W570-P618 HydrophobicContact CG-CG 4.48Å; P618-V621 HydrophobicContact CG-CB 4.23Å; P618-V621 HydrophobicContact CG-CG2 3.6Å |
| 619 | R | 93.5 | Very high | 95.6 | Very high | 170 Ų | 170 | 43.9 Ų | 43.9 | 64% | 0.642 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 156.7 | 174.3 | 65.9 | 174.4 | -177.7 | -177.8 | 2.5 | 111.8 | G539 V621 | G539-R619 WeakPolarHBondContact O-CA 3.29Å; G539-R619 VanDerWaalsContact O-CB 3.28Å; G539-R619 WeakPolarHBondContact O-CB 3.45Å; R619-V621 VanDerWaalsContact C-N 3.26Å; R619-V621 PolarHBondContact O-N 3.47Å |
| 620 | D | 92.8 | Very high | 95.7 | Very high | 109 Ų | 109 | 41.9 Ų | 41.9 | 58% | 0.583 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 36 | 171.2 | -49.8 | -52.8 | 0 | 0 | 0 | 114.6 | T538 G539 | T538-D620 PolarHBondContact OG1-N 3.03Å; T538-D620 VanDerWaalsContact OG1-N 3.14Å; G539-D620 PolarHBondContact O-N 3.13Å |
| 621 | V | 92.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | trans | -111.1 | 143 | 179.8 | 149.3 | 0 | 0 | 0 | 0 | 111 | Q537 T538 W570 P618 R619 V623 | Q537-V621 CarbonylContact C-O 3.59Å; Q537-V621 WeakPolarHBondContact CA-O 3.36Å; T538-V621 PolarHBondContact N-O 3.07Å; T538-V621 PolarHBondContact OG1-N 3.34Å; T538-V621 PolarHBondContact OG1-O 2.95Å; W570-V621 HydrophobicContact CH2-CG1 4.3Å; W570-V621 HydrophobicContact CZ2-CG1 3.51Å; P618-V621 HydrophobicContact CG-CB 4.23Å; P618-V621 HydrophobicContact CG-CG2 3.6Å; R619-V621 VanDerWaalsContact C-N 3.26Å; R619-V621 PolarHBondContact O-N 3.47Å; V621-V623 HydrophobicContact CG1-CG1 4.15Å | ||
| 622 | K | 93.6 | Very high | 95.8 | Very high | 133 Ų | 133 | 47.7 Ų | 47.7 | 58% | 0.578 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 117 | 171 | -169.5 | -179 | -178.8 | -159.4 | 0 | 110.3 | A536 E624 | A536-K622 CarbonylContact O-C 3.55Å; A536-K622 WeakPolarHBondContact O-CA 3.21Å; K622-E624 WeakPolarHBondContact CE-OE1 3.16Å; K622-E624 IonicContact NZ-OE1 2.79Å; K622-E624 PolarHBondContact NZ-OE1 2.88Å |
| 623 | V | 92.9 | Very high | 95.7 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.6 | 172.8 | -64.2 | 0 | 0 | 0 | 0 | 109.6 | I534 T535 A536 F565 W570 V621 E626 | I534-V623 HydrophobicContact CG2-CG2 4.35Å; T535-V623 WeakPolarHBondContact CA-O 3.37Å; A536-V623 HydrophobicContact CB-CG2 3.74Å; A536-V623 PolarHBondContact N-O 2.95Å; A536-V623 PolarHBondContact O-N 3.08Å; F565-V623 HydrophobicContact CE1-CB 4.48Å; F565-V623 HydrophobicContact CE1-CG1 4.14Å; F565-V623 HydrophobicContact CE1-CG2 4.2Å; W570-V623 HydrophobicContact CH2-CG2 3.92Å; W570-V623 HydrophobicContact CZ2-CG1 4.17Å; W570-V623 HydrophobicContact CZ2-CG2 4Å; V621-V623 HydrophobicContact CG1-CG1 4.15Å; V623-E626 HydrophobicContact CB-CG 3.94Å; V623-E626 HydrophobicContact CG1-CG 4.38Å |
| 624 | E | 92.8 | Very high | 95.7 | Very high | 120 Ų | 120 | 47.7 Ų | 47.7 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 124.3 | -178.1 | -68.4 | 179.3 | -171.9 | 0 | 0 | 108.6 | K622 E626 | K622-E624 WeakPolarHBondContact CE-OE1 3.16Å; K622-E624 IonicContact NZ-OE1 2.79Å; K622-E624 PolarHBondContact NZ-OE1 2.88Å; E624-E626 PolarHBondContact O-N 2.9Å; E624-E626 VanDerWaalsContact O-N 3.09Å |
| 625 | D | 91.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 49.6 Ų | 49.6 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54 | 28.5 | 174.1 | -78.2 | -5.2 | 0 | 0 | 0 | 115.9 | K533 I534 T535 | K533-D625 IonicContact NZ-OD2 2.76Å; I534-D625 PolarHBondContact O-N 3.04Å; T535-D625 PolarHBondContact OG1-N 2.89Å; T535-D625 PolarHBondContact OG1-OD1 3.34Å |
| 626 | E | 95.5 | Very high | 95.8 | Very high | 28 Ų | 28 | 49.6 Ų | 49.6 | 13% | 0.131 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 135.3 | 175 | -72 | -60.1 | 147.2 | 0 | 0 | 110.6 | K533 I534 S562 K564 F565 V623 E624 | K533-E626 CarbonylContact C-O 2.9Å; K533-E626 WeakPolarHBondContact CA-O 3.3Å; I534-E626 HydrophobicContact CB-CB 4.46Å; I534-E626 WeakPolarHBondContact CB-O 3.34Å; I534-E626 PolarHBondContact N-O 2.83Å; I534-E626 PolarHBondContact O-N 2.93Å; S562-E626 VanDerWaalsContact CB-OE2 3.27Å; S562-E626 WeakPolarHBondContact CB-OE2 3.33Å; S562-E626 PolarHBondContact OG-OE2 3.4Å; K564-E626 HydrophobicContact CD-CG 4.36Å; K564-E626 VanDerWaalsContact CD-OE1 3.27Å; K564-E626 WeakPolarHBondContact CD-OE1 3.44Å; K564-E626 WeakPolarHBondContact CE-OE1 3.25Å; K564-E626 IonicContact NZ-OE1 2.9Å; K564-E626 PolarHBondContact NZ-OE1 3.37Å; F565-E626 HydrophobicContact CE1-CB 4.21Å; F565-E626 HydrophobicContact CE1-CG 4.35Å; F565-E626 HydrophobicContact CE2-CB 4.14Å; F565-E626 HydrophobicContact CZ-CB 3.48Å; F565-E626 VanDerWaalsContact CZ-CB 3.48Å; F565-E626 HydrophobicContact CZ-CG 4.1Å; V623-E626 HydrophobicContact CB-CG 3.94Å; V623-E626 HydrophobicContact CG1-CG 4.38Å; E624-E626 PolarHBondContact O-N 2.9Å; E624-E626 VanDerWaalsContact O-N 3.09Å |
| 627 | K | 95.6 | Very high | 95.9 | Very high | 117 Ų | 117 | 49.5 Ų | 49.5 | 51% | 0.509 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 137.1 | -175.2 | -67.1 | 174.1 | -179 | 177.2 | 0 | 111 | I532 | I532-K627 WeakPolarHBondContact O-CA 3.03Å |
| 628 | I | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 154.7 | 161.6 | 68 | 173.2 | 0 | 0 | 0 | 109.4 | Q531 I532 I534 M559 I560 L561 F565 | Q531-I628 WeakPolarHBondContact CA-O 3.44Å; I532-I628 HydrophobicContact CB-CD1 4.29Å; I532-I628 HydrophobicContact CB-CG1 3.8Å; I532-I628 HydrophobicContact CD1-CD1 4.23Å; I532-I628 HydrophobicContact CD1-CG1 4.39Å; I532-I628 PolarHBondContact N-O 2.9Å; I532-I628 PolarHBondContact O-N 3.31Å; I534-I628 HydrophobicContact CD1-CD1 3.91Å; I534-I628 HydrophobicContact CD1-CG1 4.26Å; I534-I628 HydrophobicContact CG1-CD1 4.14Å; I534-I628 HydrophobicContact CG1-CG1 4.11Å; I534-I628 HydrophobicContact CG1-CG2 4.03Å; M559-I628 HydrophobicContact CE-CD1 3.99Å; I560-I628 CarbonylContact O-C 3.58Å; I560-I628 VanDerWaalsContact O-CA 3.28Å; I560-I628 WeakPolarHBondContact O-CA 3.12Å; L561-I628 HydrophobicContact CD2-CB 4.29Å; L561-I628 HydrophobicContact CD2-CG2 3.83Å; F565-I628 HydrophobicContact CD2-CG2 4.06Å; F565-I628 HydrophobicContact CE2-CG2 3.56Å |
| 629 | V | 98.4 | Very high | 96.1 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 128.8 | 173.5 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | N529 Q530 Q531 M559 I560 | N529-V629 HydrophobicContact CB-CG1 4.41Å; Q530-V629 CarbonylContact O-C 3.55Å; Q530-V629 WeakPolarHBondContact O-CA 3.49Å; Q531-V629 HydrophobicContact CG-CG2 4.31Å; M559-V629 WeakPolarHBondContact CA-O 3.47Å; I560-V629 HydrophobicContact CB-CB 4.13Å; I560-V629 HydrophobicContact CD1-CB 4.44Å; I560-V629 PolarHBondContact N-O 3.03Å; I560-V629 PolarHBondContact O-N 2.93Å |
| 630 | V | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.9 | 170.1 | -174.9 | 0 | 0 | 0 | 0 | 108 | N529 Q530 I532 L549 T557 M559 I613 A633 | N529-V630 CarbonylContact C-O 3.48Å; N529-V630 WeakPolarHBondContact CA-O 2.86Å; N529-V630 PolarHBondContact N-O 3.38Å; Q530-V630 PolarHBondContact N-O 2.98Å; Q530-V630 PolarHBondContact O-N 3.4Å; I532-V630 HydrophobicContact CD1-CG2 4.18Å; L549-V630 HydrophobicContact CD1-CB 3.73Å; L549-V630 HydrophobicContact CD1-CG1 4.08Å; L549-V630 HydrophobicContact CD1-CG2 3.76Å; T557-V630 HydrophobicContact CG2-CG1 4.06Å; M559-V630 HydrophobicContact CE-CG2 4.02Å; M559-V630 HydrophobicContact CG-CG2 4.39Å; I613-V630 HydrophobicContact CD1-CG1 3.99Å; V630-A633 HydrophobicContact CG1-CB 3.85Å |
| 631 | Q | 98.3 | Very high | 96.5 | Very high | 58 Ų | 58 | 42.2 Ų | 42.2 | 27% | 0.271 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | -41.3 | -171.8 | -77.6 | -170.5 | -4.4 | 0 | 0 | 113.6 | K528 N529 E558 | K528-Q631 CarbonylContact C-O 3.37Å; K528-Q631 WeakPolarHBondContact CA-O 3.08Å; N529-Q631 PolarHBondContact N-O 3.14Å; E558-Q631 HydrophobicContact CB-CB 4.48Å; E558-Q631 HydrophobicContact CB-CG 4.22Å; E558-Q631 PolarHBondContact O-N 3.39Å; E558-Q631 PolarHBondContact OE1-NE2 3.05Å |
| 632 | E | 98.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 44.7 Ų | 44.7 | 33% | 0.332 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 126.6 | 177.8 | -62.5 | -164.3 | 151.3 | 0 | 0 | 109.8 | V526 V527 K528 M555 T557 | V526-E632 HydrophobicContact CG1-CB 3.88Å; V526-E632 HydrophobicContact CG1-CG 4.35Å; V527-E632 WeakPolarHBondContact O-CA 3.29Å; K528-E632 VanDerWaalsContact CE-OE1 3.25Å; K528-E632 WeakPolarHBondContact CE-OE1 3.48Å; K528-E632 HydrophobicContact CG-CG 4.38Å; K528-E632 IonicContact NZ-OE1 3.53Å; K528-E632 PolarHBondContact NZ-OE1 3.21Å; M555-E632 HydrophobicContact CE-CB 3.7Å; T557-E632 WeakPolarHBondContact CB-O 3.4Å; T557-E632 PolarHBondContact OG1-N 3.3Å; T557-E632 PolarHBondContact OG1-O 2.78Å; T557-E632 VanDerWaalsContact OG1-O 3.05Å |
| 633 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 178.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V526 V527 L549 L551 I613 V630 | V526-A633 CarbonylContact C-O 3.48Å; V526-A633 WeakPolarHBondContact CA-O 3.43Å; V527-A633 VanDerWaalsContact CG2-O 3.25Å; V527-A633 WeakPolarHBondContact CG2-O 3.32Å; V527-A633 PolarHBondContact N-O 3.19Å; V527-A633 PolarHBondContact O-N 3.43Å; L549-A633 HydrophobicContact CB-CB 3.96Å; L549-A633 HydrophobicContact CD1-CB 4.08Å; L549-A633 HydrophobicContact CD2-CB 4.21Å; L549-A633 HydrophobicContact CG-CB 4.32Å; L551-A633 HydrophobicContact CD2-CB 4.36Å; I613-A633 HydrophobicContact CD1-CB 4.25Å; V630-A633 HydrophobicContact CG1-CB 3.85Å |
| 634 | I | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.9 | 175.1 | -64 | 150.7 | 0 | 0 | 0 | 108 | L524 L549 Y550 S552 M555 A636 P656 A657 | L524-I634 HydrophobicContact CB-CD1 3.7Å; L524-I634 HydrophobicContact CB-CG1 3.99Å; L524-I634 HydrophobicContact CB-CG2 4.17Å; L524-I634 HydrophobicContact CD1-CD1 3.99Å; L524-I634 HydrophobicContact CD1-CG2 4.33Å; L524-I634 HydrophobicContact CG-CD1 4.37Å; L549-I634 CarbonylContact C-O 3.49Å; L549-I634 WeakPolarHBondContact CA-O 3.24Å; Y550-I634 HydrophobicContact CD1-CB 4.13Å; Y550-I634 HydrophobicContact CD1-CD1 3.86Å; Y550-I634 HydrophobicContact CD1-CG2 4.41Å; Y550-I634 HydrophobicContact CE1-CD1 4.25Å; Y550-I634 PolarHBondContact N-O 3.24Å; Y550-I634 PolarHBondContact O-N 2.7Å; S552-I634 WeakPolarHBondContact OG-CD1 3.41Å; M555-I634 HydrophobicContact SD-CD1 4.25Å; I634-A636 PolarHBondContact O-N 2.99Å; I634-P656 HydrophobicContact CG2-CB 4.43Å; I634-P656 HydrophobicContact CG2-CG 3.7Å; I634-A657 HydrophobicContact CG2-CB 4.21Å |
| 635 | T | 98.2 | Very high | 96.6 | Very high | 41 Ų | 41 | 44.7 Ų | 44.7 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131 | 176.8 | -47.2 | 0 | 0 | 0 | 0 | 110.3 | V527 A655 A657 | V527-T635 WeakPolarHBondContact CG1-OG1 3.44Å; T635-A655 HydrophobicContact CG2-CB 4.16Å; T635-A655 WeakPolarHBondContact O-CB 3.34Å; T635-A657 WeakPolarHBondContact O-CB 3.43Å; T635-A657 PolarHBondContact O-N 3.01Å |
| 636 | A | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | trans | -95.7 | 152 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | G548 L612 I634 Y638 A657 W659 | G548-A636 PolarHBondContact O-N 3.09Å; L612-A636 HydrophobicContact CD2-CB 3.57Å; I634-A636 PolarHBondContact O-N 2.99Å; A636-Y638 PolarHBondContact O-N 2.96Å; A636-A657 HydrophobicContact CB-CB 3.77Å; A636-W659 WeakPolarHBondContact CB-O 3.37Å | ||
| 637 | P | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -59.9 | 104.5 | 166 | -22.8 | 34.2 | 0 | 0 | 0 | 109.6 | L652 A655 W659 A660 E661 I676 | P637-L652 WeakPolarHBondContact CA-O 3.06Å; P637-A655 HydrophobicContact CG-CB 4.13Å; P637-W659 WeakPolarHBondContact CD-O 3.3Å; P637-A660 HydrophobicContact CB-CB 3.73Å; P637-A660 HydrophobicContact CG-CB 4.2Å; P637-A660 CarbonylContact O-C 3.48Å; P637-A660 WeakPolarHBondContact O-CA 3.22Å; P637-A660 WeakPolarHBondContact O-CB 3.44Å; P637-E661 PolarHBondContact O-N 2.89Å; P637-I676 HydrophobicContact CB-CG2 4.2Å | ||
| 638 | Y | 98.1 | Very high | 96 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 114.1 | -172.5 | 179.3 | -134.9 | 0 | 0 | 0 | 110.5 | G548 A636 K640 E661 E663 | G548-Y638 VanDerWaalsContact CA-CD1 3.48Å; A636-Y638 PolarHBondContact O-N 2.96Å; Y638-K640 HydrophobicContact CE1-CB 4.4Å; Y638-K640 HydrophobicContact CE2-CB 4.46Å; Y638-E661 WeakPolarHBondContact CA-O 3.45Å; Y638-E661 HydrophobicContact CD2-CB 3.79Å; Y638-E661 WeakPolarHBondContact CD2-O 3.45Å; Y638-E661 HydrophobicContact CE2-CB 4.25Å; Y638-E663 HydrophobicContact CE2-CB 3.93Å; Y638-E663 PolarHBondContact OH-OE2 2.93Å |
| 639 | Y | 98.3 | Very high | 95.9 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 133.8 | 171 | -178.7 | -97 | 0 | 0 | 0 | 109.2 | T644 W649 E661 M662 E663 F664 V682 L683 E686 | Y639-T644 HydrophobicContact CD2-CG2 3.74Å; Y639-T644 HydrophobicContact CE2-CG2 4.11Å; Y639-W649 HydrophobicContact CD2-CD2 4.47Å; Y639-W649 HydrophobicContact CD2-CE3 4.12Å; Y639-W649 HydrophobicContact CD2-CZ3 4.47Å; Y639-E661 PolarHBondContact N-O 3.09Å; Y639-M662 WeakPolarHBondContact CB-SD 3.41Å; Y639-M662 HydrophobicContact CG-SD 4.43Å; Y639-E663 PolarHBondContact O-N 3.13Å; Y639-F664 HydrophobicContact CD1-CD1 4.12Å; Y639-F664 AromaticContact CD1-CE1 3.72Å; Y639-F664 HydrophobicContact CD1-CE1 3.72Å; Y639-F664 HydrophobicContact CE1-CD1 4.05Å; Y639-F664 AromaticContact CE1-CE1 3.83Å; Y639-F664 HydrophobicContact CE1-CE1 3.83Å; Y639-V682 HydrophobicContact CD1-CG2 3.85Å; Y639-V682 HydrophobicContact CD2-CB 4.36Å; Y639-V682 HydrophobicContact CD2-CG1 3.68Å; Y639-V682 HydrophobicContact CD2-CG2 3.81Å; Y639-V682 HydrophobicContact CE1-CG2 4.12Å; Y639-V682 HydrophobicContact CE2-CB 4.43Å; Y639-V682 HydrophobicContact CE2-CG1 3.44Å; Y639-V682 VanDerWaalsContact CE2-CG1 3.44Å; Y639-V682 HydrophobicContact CE2-CG2 4.11Å; Y639-V682 HydrophobicContact CG-CG1 4.42Å; Y639-V682 HydrophobicContact CG-CG2 3.68Å; Y639-L683 VanDerWaalsContact OH-CD2 3.31Å; Y639-L683 WeakPolarHBondContact OH-CD2 3.49Å; Y639-E686 HydrophobicContact CE1-CB 4.48Å; Y639-E686 VanDerWaalsContact CE1-OE2 3.27Å; Y639-E686 WeakPolarHBondContact CE1-OE2 3.29Å; Y639-E686 VanDerWaalsContact CZ-OE2 3.28Å; Y639-E686 PolarHBondContact OH-OE2 2.91Å |
| 640 | K | 97.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 50 Ų | 50 | 27% | 0.274 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 119.8 | 172.3 | -179.4 | 170.8 | -175.9 | 150.1 | 0 | 110.3 | Y638 G642 V643 T644 E663 | Y638-K640 HydrophobicContact CE1-CB 4.4Å; Y638-K640 HydrophobicContact CE2-CB 4.46Å; K640-G642 PolarHBondContact O-N 2.95Å; K640-V643 HydrophobicContact CB-CB 4.1Å; K640-V643 HydrophobicContact CD-CB 4.12Å; K640-V643 HydrophobicContact CD-CG2 3.87Å; K640-V643 HydrophobicContact CG-CB 3.96Å; K640-V643 HydrophobicContact CG-CG2 3.95Å; K640-V643 PolarHBondContact O-N 3.03Å; K640-T644 PolarHBondContact N-OG1 3.3Å; K640-T644 PolarHBondContact O-N 3.1Å; K640-E663 WeakPolarHBondContact CA-O 3.28Å; K640-E663 HydrophobicContact CB-CB 4.46Å; K640-E663 WeakPolarHBondContact CE-OE1 3.18Å; K640-E663 HydrophobicContact CG-CB 4.42Å; K640-E663 HydrophobicContact CG-CG 4.24Å; K640-E663 IonicContact NZ-OE1 3.65Å; K640-E663 PolarHBondContact NZ-OE1 3.15Å; K640-E663 VanDerWaalsContact NZ-OE1 3.12Å; K640-E663 IonicContact NZ-OE2 3.68Å |
| 641 | S | 95.9 | Very high | 95.5 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 132 | 176.9 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | V643 E663 E686 | S641-V643 PolarHBondContact O-N 2.8Å; S641-V643 VanDerWaalsContact O-N 3.12Å; S641-E663 PolarHBondContact N-O 2.67Å; S641-E686 WeakPolarHBondContact CB-OE1 3.33Å; S641-E686 PolarHBondContact OG-OE1 2.87Å |
| 642 | G | 93.7 | Very high | 95.4 | Very high | 82 Ų | 82 | 53.2 Ų | 53.2 | 85% | 0.845 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | -3.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K640 | K640-G642 PolarHBondContact O-N 2.95Š|
| 643 | V | 94.3 | Very high | 95.3 | Very high | 99 Ų | 99 | 51.1 Ų | 51.1 | 60% | 0.6 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -47.9 | -179.4 | 179 | 0 | 0 | 0 | 0 | 111.5 | K640 S641 K645 | K640-V643 HydrophobicContact CB-CB 4.1Å; K640-V643 HydrophobicContact CD-CB 4.12Å; K640-V643 HydrophobicContact CD-CG2 3.87Å; K640-V643 HydrophobicContact CG-CB 3.96Å; K640-V643 HydrophobicContact CG-CG2 3.95Å; K640-V643 PolarHBondContact O-N 3.03Å; S641-V643 PolarHBondContact O-N 2.8Å; S641-V643 VanDerWaalsContact O-N 3.12Å; V643-K645 PolarHBondContact O-N 3.39Å |
| 644 | T | 94.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -73.3 | 125.3 | 177.7 | -58.7 | 0 | 0 | 0 | 0 | 109.9 | Y639 K640 L652 | Y639-T644 HydrophobicContact CD2-CG2 3.74Å; Y639-T644 HydrophobicContact CE2-CG2 4.11Å; K640-T644 PolarHBondContact N-OG1 3.3Å; K640-T644 PolarHBondContact O-N 3.1Å; T644-L652 HydrophobicContact CG2-CD1 3.66Å |
| 645 | K | 92.1 | Very high | 95.2 | Very high | 144 Ų | 144 | 56.3 Ų | 56.3 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | trans | -82.5 | 144 | 174.8 | -57 | 176.7 | -177.8 | 174 | 0 | 110.1 | V643 A647 D648 W649 | V643-K645 PolarHBondContact O-N 3.39Å; K645-A647 VanDerWaalsContact C-N 3.3Å; K645-A647 PolarHBondContact O-N 3.44Å; K645-D648 WeakPolarHBondContact CB-OD2 3.43Å; K645-D648 PolarHBondContact O-N 3.16Å; K645-W649 PolarHBondContact O-N 3.36Å | ||
| 646 | E | 86.1 | Confident | 95.2 | Very high | 146 Ų | 146 | 56.4 Ų | 56.4 | 68% | 0.682 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57 | -41.8 | -179.7 | -171.4 | 179.2 | 170 | 0 | 0 | 112.7 | D648 W649 | E646-D648 PolarHBondContact O-N 2.97Å; E646-W649 WeakPolarHBondContact O-CB 3.32Å; E646-W649 PolarHBondContact O-N 3.04Å; E646-W649 VanDerWaalsContact O-N 3.17Å |
| 647 | A | 89.4 | Confident | 95.2 | Very high | 82 Ų | 82 | 56.4 Ų | 56.4 | 68% | 0.678 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.2 | -32 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K645 S650 | K645-A647 VanDerWaalsContact C-N 3.3Å; K645-A647 PolarHBondContact O-N 3.44Å; A647-S650 PolarHBondContact O-OG 3.16Å |
| 648 | D | 93 | Very high | 95.1 | Very high | 74 Ų | 74 | 58.9 Ų | 58.9 | 40% | 0.396 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -80.6 | -25.2 | -178 | -58.4 | -26.9 | 0 | 0 | 0 | 111.5 | K645 E646 S650 S651 L652 | K645-D648 WeakPolarHBondContact CB-OD2 3.43Å; K645-D648 PolarHBondContact O-N 3.16Å; E646-D648 PolarHBondContact O-N 2.97Å; D648-S650 VanDerWaalsContact C-N 3.29Å; D648-S650 PolarHBondContact O-N 3.32Å; D648-S651 PolarHBondContact O-N 3.49Å; D648-S651 VanDerWaalsContact O-N 3.08Å; D648-S651 PolarHBondContact O-OG 2.98Å; D648-L652 HydrophobicContact CB-CD1 3.94Å; D648-L652 HydrophobicContact CB-CG 4.44Å; D648-L652 WeakPolarHBondContact O-CG 3.4Å; D648-L652 PolarHBondContact O-N 3.43Å |
| 649 | W | 95.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 59 Ų | 59 | 2% | 0.023 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.8 | -39.4 | -173.7 | 179.1 | -121.7 | 0 | 0 | 0 | 113.2 | Y639 K645 E646 S651 L652 R653 M662 I676 L679 V682 | Y639-W649 HydrophobicContact CD2-CD2 4.47Å; Y639-W649 HydrophobicContact CD2-CE3 4.12Å; Y639-W649 HydrophobicContact CD2-CZ3 4.47Å; K645-W649 PolarHBondContact O-N 3.36Å; E646-W649 WeakPolarHBondContact O-CB 3.32Å; E646-W649 PolarHBondContact O-N 3.04Å; E646-W649 VanDerWaalsContact O-N 3.17Å; W649-S651 PolarHBondContact O-N 3.21Å; W649-S651 VanDerWaalsContact O-N 3.14Å; W649-L652 HydrophobicContact CE3-CB 4.13Å; W649-L652 HydrophobicContact CZ3-CB 4.45Å; W649-L652 PolarHBondContact O-N 2.92Å; W649-R653 HydrophobicContact CD2-CB 4.16Å; W649-R653 HydrophobicContact CE3-CB 4.34Å; W649-R653 HydrophobicContact CH2-CB 3.82Å; W649-R653 HydrophobicContact CZ2-CB 3.61Å; W649-R653 HydrophobicContact CZ3-CB 4.18Å; W649-R653 WeakPolarHBondContact O-CB 3.36Å; W649-R653 WeakPolarHBondContact O-CG 3.47Å; W649-R653 PolarHBondContact O-N 2.96Å; W649-M662 HydrophobicContact CH2-CE 3.78Å; W649-M662 HydrophobicContact CH2-SD 3.6Å; W649-M662 VanDerWaalsContact CH2-SD 3.6Å; W649-M662 HydrophobicContact CZ2-SD 4.29Å; W649-M662 HydrophobicContact CZ3-SD 4.28Å; W649-I676 HydrophobicContact CH2-CG2 3.6Å; W649-I676 HydrophobicContact CZ2-CG2 3.82Å; W649-L679 HydrophobicContact CZ2-CD2 4.35Å; W649-L679 PolarHBondContact NE1-O 3.17Å; W649-V682 HydrophobicContact CD2-CB 4.47Å; W649-V682 HydrophobicContact CD2-CG1 4.18Å; W649-V682 HydrophobicContact CG-CG1 4.02Å; W649-V682 HydrophobicContact CZ2-CB 4.29Å; W649-V682 HydrophobicContact CZ2-CG2 4.37Å |
| 650 | S | 93.8 | Very high | 95.1 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -53.4 | -36.2 | 178.4 | 65.8 | 0 | 0 | 0 | 0 | 112.9 | A647 D648 R653 | A647-S650 PolarHBondContact O-OG 3.16Å; D648-S650 VanDerWaalsContact C-N 3.29Å; D648-S650 PolarHBondContact O-N 3.32Å; S650-R653 PolarHBondContact O-NE 2.95Å |
| 651 | S | 94.8 | Very high | 95.1 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 54% | 0.538 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -86.5 | -44 | 176.7 | 72.7 | 0 | 0 | 0 | 0 | 112.6 | D648 W649 R653 K654 | D648-S651 PolarHBondContact O-N 3.49Å; D648-S651 VanDerWaalsContact O-N 3.08Å; D648-S651 PolarHBondContact O-OG 2.98Å; W649-S651 PolarHBondContact O-N 3.21Å; W649-S651 VanDerWaalsContact O-N 3.14Å; S651-R653 VanDerWaalsContact C-N 3.34Å; S651-R653 PolarHBondContact O-N 2.98Å; S651-K654 PolarHBondContact O-N 2.86Å; S651-K654 VanDerWaalsContact O-N 3.07Å |
| 652 | L | 96.2 | Very high | 95.3 | Very high | 49 Ų | 49 | 54 Ų | 54 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | -176.6 | -71 | 171.9 | 0 | 0 | 0 | 112 | P637 T644 D648 W649 K654 A655 | P637-L652 WeakPolarHBondContact CA-O 3.06Å; T644-L652 HydrophobicContact CG2-CD1 3.66Å; D648-L652 HydrophobicContact CB-CD1 3.94Å; D648-L652 HydrophobicContact CB-CG 4.44Å; D648-L652 WeakPolarHBondContact O-CG 3.4Å; D648-L652 PolarHBondContact O-N 3.43Å; W649-L652 HydrophobicContact CE3-CB 4.13Å; W649-L652 HydrophobicContact CZ3-CB 4.45Å; W649-L652 PolarHBondContact O-N 2.92Å; L652-K654 PolarHBondContact O-N 3.17Å; L652-K654 VanDerWaalsContact O-N 3.11Å; L652-A655 WeakPolarHBondContact O-CB 3.36Å; L652-A655 PolarHBondContact O-N 2.82Å |
| 653 | R | 97.1 | Very high | 95.5 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 10% | 0.102 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.2 | 177.3 | 74.8 | -174.1 | 177.1 | 127.4 | -16 | 113.5 | W649 S650 S651 I676 R677 D678 L679 E680 | W649-R653 HydrophobicContact CD2-CB 4.16Å; W649-R653 HydrophobicContact CE3-CB 4.34Å; W649-R653 HydrophobicContact CH2-CB 3.82Å; W649-R653 HydrophobicContact CZ2-CB 3.61Å; W649-R653 HydrophobicContact CZ3-CB 4.18Å; W649-R653 WeakPolarHBondContact O-CB 3.36Å; W649-R653 WeakPolarHBondContact O-CG 3.47Å; W649-R653 PolarHBondContact O-N 2.96Å; S650-R653 PolarHBondContact O-NE 2.95Å; S651-R653 VanDerWaalsContact C-N 3.34Å; S651-R653 PolarHBondContact O-N 2.98Å; R653-I676 HydrophobicContact CB-CG2 4.41Å; R653-R677 PolarHBondContact NH1-O 3.25Å; R653-R677 WeakPolarHBondContact O-CA 3.19Å; R653-R677 VanDerWaalsContact O-CG 3.31Å; R653-R677 WeakPolarHBondContact O-CG 3.28Å; R653-D678 VanDerWaalsContact NH1-C 3.34Å; R653-D678 VanDerWaalsContact NH1-CA 3.28Å; R653-L679 WeakPolarHBondContact CD-O 3.11Å; R653-E680 IonicContact NH2-OE1 3.85Å; R653-E680 PolarHBondContact NH2-OE1 2.8Å |
| 654 | K | 97.6 | Very high | 95.6 | Very high | 100 Ų | 100 | 46 Ų | 46 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.7 | 179.1 | -60.7 | -62.5 | -172.8 | -176.3 | 0 | 113.3 | S651 L652 R677 D678 | S651-K654 PolarHBondContact O-N 2.86Å; S651-K654 VanDerWaalsContact O-N 3.07Å; L652-K654 PolarHBondContact O-N 3.17Å; L652-K654 VanDerWaalsContact O-N 3.11Å; K654-R677 HydrophobicContact CD-CB 4.14Å; K654-R677 HydrophobicContact CD-CG 4.31Å; K654-R677 WeakPolarHBondContact CE-O 3.49Å; K654-R677 PolarHBondContact NZ-O 3Å; K654-D678 IonicContact NZ-OD1 3.48Å; K654-D678 PolarHBondContact NZ-OD1 2.86Å |
| 655 | A | 97.8 | Very high | 95.7 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | trans | -55.5 | 147.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | T635 P637 L652 A657 | T635-A655 HydrophobicContact CG2-CB 4.16Å; T635-A655 WeakPolarHBondContact O-CB 3.34Å; P637-A655 HydrophobicContact CG-CB 4.13Å; L652-A655 WeakPolarHBondContact O-CB 3.36Å; L652-A655 PolarHBondContact O-N 2.82Å; A655-A657 PolarHBondContact O-N 2.98Å | ||
| 656 | P | 97.4 | Very high | 96 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 29% | 0.286 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -75.7 | -18.7 | -161.3 | 27.4 | -36 | 0 | 0 | 0 | 115.1 | L524 P525 I634 | L524-P656 HydrophobicContact CD2-CB 4.36Å; P525-P656 HydrophobicContact CG-CG 4.44Å; I634-P656 HydrophobicContact CG2-CB 4.43Å; I634-P656 HydrophobicContact CG2-CG 3.7Å |
| 657 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -58 | 149.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y550 I634 T635 A636 A655 W659 S673 | Y550-A657 HydrophobicContact CD1-CB 4.07Å; Y550-A657 HydrophobicContact CD2-CB 4.44Å; Y550-A657 HydrophobicContact CG-CB 3.8Å; I634-A657 HydrophobicContact CG2-CB 4.21Å; T635-A657 WeakPolarHBondContact O-CB 3.43Å; T635-A657 PolarHBondContact O-N 3.01Å; A636-A657 HydrophobicContact CB-CB 3.77Å; A655-A657 PolarHBondContact O-N 2.98Å; A657-W659 VanDerWaalsContact C-N 3.27Å; A657-W659 PolarHBondContact O-N 3.11Å; A657-S673 VanDerWaalsContact O-CB 3.24Å; A657-S673 WeakPolarHBondContact O-CB 3.38Å; A657-S673 PolarHBondContact O-OG 2.98Å | ||
| 658 | P | 96.6 | Very high | 97 | Very high | 53 Ų | 53 | 30.9 Ų | 30.9 | 34% | 0.344 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -77.5 | -10.1 | -179.1 | 29.6 | -33.1 | 0 | 0 | 0 | 114.1 | Y550 P672 S673 | Y550-P658 HydrophobicContact CD2-CG 4.41Å; Y550-P658 HydrophobicContact CE1-CG 4.01Å; Y550-P658 HydrophobicContact CE2-CG 3.71Å; Y550-P658 VanDerWaalsContact CZ-CG 3.5Å; P658-P672 WeakPolarHBondContact O-CA 3.37Å; P658-S673 PolarHBondContact O-N 2.95Å; P658-S673 PolarHBondContact O-OG 2.83Å |
| 659 | W | 98.2 | Very high | 97.3 | Very high | 39 Ų | 39 | 27.3 Ų | 27.3 | 15% | 0.148 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.3 | 178.1 | -68.1 | 94.2 | 0 | 0 | 0 | 111.5 | L612 A636 P637 A657 T670 P672 S673 A714 | L612-W659 HydrophobicContact CD1-CB 3.7Å; L612-W659 HydrophobicContact CD2-CB 4.21Å; L612-W659 HydrophobicContact CG-CB 3.82Å; A636-W659 WeakPolarHBondContact CB-O 3.37Å; P637-W659 WeakPolarHBondContact CD-O 3.3Å; A657-W659 VanDerWaalsContact C-N 3.27Å; A657-W659 PolarHBondContact O-N 3.11Å; W659-T670 HydrophobicContact CE3-CG2 4.2Å; W659-P672 HydrophobicContact CH2-CG 4.22Å; W659-P672 HydrophobicContact CZ3-CG 4.08Å; W659-S673 WeakPolarHBondContact CA-OG 3.28Å; W659-S673 PolarHBondContact N-OG 3.04Å; W659-S673 VanDerWaalsContact N-OG 3.09Å; W659-S673 PolarHBondContact O-OG 3.05Å; W659-S673 VanDerWaalsContact O-OG 3.13Å; W659-A714 WeakPolarHBondContact CZ3-O 3.29Å |
| 660 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P637 M662 T670 V671 S673 I676 | P637-A660 HydrophobicContact CB-CB 3.73Å; P637-A660 HydrophobicContact CG-CB 4.2Å; P637-A660 CarbonylContact O-C 3.48Å; P637-A660 WeakPolarHBondContact O-CA 3.22Å; P637-A660 WeakPolarHBondContact O-CB 3.44Å; A660-M662 HydrophobicContact CB-CE 3.91Å; A660-T670 WeakPolarHBondContact O-CA 3.41Å; A660-V671 PolarHBondContact N-O 3.2Å; A660-V671 PolarHBondContact O-N 2.9Å; A660-V671 VanDerWaalsContact O-N 3.07Å; A660-S673 PolarHBondContact N-OG 3.06Å; A660-I676 HydrophobicContact CB-CB 4.01Å; A660-I676 HydrophobicContact CB-CG1 3.64Å; A660-I676 HydrophobicContact CB-CG2 4.27Å |
| 661 | E | 98 | Very high | 97.7 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 129.7 | 175.8 | -78.8 | -168.5 | 103.7 | 0 | 0 | 112.1 | S546 L612 Y614 P637 Y638 Y639 I668 L669 T670 R711 | S546-E661 VanDerWaalsContact CB-OE2 3.28Å; S546-E661 WeakPolarHBondContact CB-OE2 3.15Å; S546-E661 PolarHBondContact OG-OE1 2.84Å; S546-E661 PolarHBondContact OG-OE2 3.44Å; S546-E661 VanDerWaalsContact OG-OE2 3.12Å; L612-E661 HydrophobicContact CD1-CG 3.77Å; Y614-E661 WeakPolarHBondContact CE1-OE1 3.25Å; Y614-E661 WeakPolarHBondContact CE1-OE2 3.49Å; Y614-E661 PolarHBondContact OH-OE1 3.25Å; P637-E661 PolarHBondContact O-N 2.89Å; Y638-E661 WeakPolarHBondContact CA-O 3.45Å; Y638-E661 HydrophobicContact CD2-CB 3.79Å; Y638-E661 WeakPolarHBondContact CD2-O 3.45Å; Y638-E661 HydrophobicContact CE2-CB 4.25Å; Y639-E661 PolarHBondContact N-O 3.09Å; E661-I668 HydrophobicContact CB-CG2 4.45Å; E661-L669 WeakPolarHBondContact CA-O 3.49Å; E661-T670 HydrophobicContact CG-CG2 3.94Å; E661-R711 IonicContact OE1-NH1 2.7Å; E661-R711 PolarHBondContact OE1-NH1 2.97Å |
| 662 | M | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 104.7 | 170.9 | -53.6 | -51.2 | 119.3 | 0 | 0 | 108.6 | Y639 W649 A660 F664 I668 L669 I676 V682 F740 | Y639-M662 WeakPolarHBondContact CB-SD 3.41Å; Y639-M662 HydrophobicContact CG-SD 4.43Å; W649-M662 HydrophobicContact CH2-CE 3.78Å; W649-M662 HydrophobicContact CH2-SD 3.6Å; W649-M662 VanDerWaalsContact CH2-SD 3.6Å; W649-M662 HydrophobicContact CZ2-SD 4.29Å; W649-M662 HydrophobicContact CZ3-SD 4.28Å; A660-M662 HydrophobicContact CB-CE 3.91Å; M662-F664 HydrophobicContact CB-CE1 4Å; M662-F664 HydrophobicContact CB-CE2 4.07Å; M662-F664 HydrophobicContact CB-CZ 3.61Å; M662-F664 HydrophobicContact CG-CZ 4.38Å; M662-I668 CarbonylContact O-C 3.49Å; M662-I668 VanDerWaalsContact O-CA 3.29Å; M662-I668 WeakPolarHBondContact O-CA 3.4Å; M662-L669 HydrophobicContact CB-CB 4.45Å; M662-L669 PolarHBondContact N-O 3.03Å; M662-L669 PolarHBondContact O-N 3.44Å; M662-I676 HydrophobicContact CE-CB 4.35Å; M662-I676 HydrophobicContact CE-CD1 4.17Å; M662-I676 HydrophobicContact CE-CG1 3.96Å; M662-I676 HydrophobicContact CE-CG2 3.53Å; M662-I676 HydrophobicContact SD-CG2 4.47Å; M662-V682 HydrophobicContact SD-CG2 4.47Å; M662-F740 HydrophobicContact CB-CE1 4.34Å; M662-F740 HydrophobicContact CG-CD1 4.47Å; M662-F740 HydrophobicContact CG-CE1 3.58Å; M662-F740 HydrophobicContact CG-CZ 4.28Å |
| 663 | E | 98.1 | Very high | 97.9 | Very high | 13 Ų | 13 | 18.5 Ų | 18.5 | 6% | 0.061 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 105.9 | 178.3 | 175.1 | 173.1 | 152.5 | 0 | 0 | 110.6 | Y638 Y639 K640 S641 I668 K709 | Y638-E663 HydrophobicContact CE2-CB 3.93Å; Y638-E663 PolarHBondContact OH-OE2 2.93Å; Y639-E663 PolarHBondContact O-N 3.13Å; K640-E663 WeakPolarHBondContact CA-O 3.28Å; K640-E663 HydrophobicContact CB-CB 4.46Å; K640-E663 WeakPolarHBondContact CE-OE1 3.18Å; K640-E663 HydrophobicContact CG-CB 4.42Å; K640-E663 HydrophobicContact CG-CG 4.24Å; K640-E663 IonicContact NZ-OE1 3.65Å; K640-E663 PolarHBondContact NZ-OE1 3.15Å; K640-E663 VanDerWaalsContact NZ-OE1 3.12Å; K640-E663 IonicContact NZ-OE2 3.68Å; S641-E663 PolarHBondContact N-O 2.67Å; E663-I668 HydrophobicContact CB-CD1 4.27Å; E663-I668 HydrophobicContact CB-CG1 4.03Å; E663-I668 HydrophobicContact CB-CG2 4.25Å; E663-I668 HydrophobicContact CG-CD1 3.85Å; E663-I668 HydrophobicContact CG-CG1 3.86Å; E663-K709 HydrophobicContact CG-CD 4.27Å; E663-K709 IonicContact OE1-NZ 2.81Å; E663-K709 PolarHBondContact OE1-NZ 3Å |
| 664 | F | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -98.2 | -170.6 | 174.7 | -53.5 | -44.9 | 0 | 0 | 0 | 111.1 | Y639 M662 I667 L669 V685 E686 W689 K709 | Y639-F664 HydrophobicContact CD1-CD1 4.12Å; Y639-F664 AromaticContact CD1-CE1 3.72Å; Y639-F664 HydrophobicContact CD1-CE1 3.72Å; Y639-F664 HydrophobicContact CE1-CD1 4.05Å; Y639-F664 AromaticContact CE1-CE1 3.83Å; Y639-F664 HydrophobicContact CE1-CE1 3.83Å; M662-F664 HydrophobicContact CB-CE1 4Å; M662-F664 HydrophobicContact CB-CE2 4.07Å; M662-F664 HydrophobicContact CB-CZ 3.61Å; M662-F664 HydrophobicContact CG-CZ 4.38Å; F664-I667 HydrophobicContact CB-CG2 4.21Å; F664-I667 HydrophobicContact CD2-CG2 3.97Å; F664-I667 PolarHBondContact N-O 3.42Å; F664-L669 HydrophobicContact CD2-CD1 4.39Å; F664-L669 HydrophobicContact CE2-CD1 3.71Å; F664-L669 HydrophobicContact CE2-CG 4.27Å; F664-V685 HydrophobicContact CE2-CG1 4.04Å; F664-V685 HydrophobicContact CZ-CB 4.39Å; F664-V685 HydrophobicContact CZ-CG1 3.77Å; F664-E686 HydrophobicContact CD1-CB 3.74Å; F664-E686 HydrophobicContact CD1-CG 3.78Å; F664-E686 HydrophobicContact CE1-CB 3.66Å; F664-E686 HydrophobicContact CE1-CG 4.23Å; F664-E686 HydrophobicContact CG-CG 4.43Å; F664-E686 HydrophobicContact CZ-CB 4.41Å; F664-W689 HydrophobicContact CD2-CB 3.65Å; F664-W689 HydrophobicContact CD2-CG 4.08Å; F664-W689 HydrophobicContact CE2-CB 3.99Å; F664-W689 AromaticContact CE2-CD1 3.73Å; F664-W689 HydrophobicContact CE2-CG 4.01Å; F664-K709 WeakPolarHBondContact O-CE 3.42Å; F664-K709 PolarHBondContact O-NZ 3.12Å | ||
| 665 | E | 96.1 | Very high | 97.9 | Very high | 77 Ų | 77 | 20.4 Ų | 20.4 | 36% | 0.36 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -61.6 | -49.2 | -173.3 | -175.3 | 169.1 | -146.8 | 0 | 0 | 112.1 | N690 K709 | E665-N690 WeakPolarHBondContact CB-OD1 3.45Å; E665-N690 PolarHBondContact N-OD1 2.73Å; E665-K709 WeakPolarHBondContact O-CE 3.19Å |
| 666 | N | 97.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -119.4 | -1.4 | -174.2 | -71.3 | -35 | 0 | 0 | 0 | 114.3 | M693 Q704 F706 K709 E710 | N666-M693 HydrophobicContact CB-CB 3.77Å; N666-M693 HydrophobicContact CB-CE 4.15Å; N666-M693 HydrophobicContact CB-CG 4.03Å; N666-Q704 PolarHBondContact ND2-O 2.88Å; N666-F706 HydrophobicContact CB-CB 4.45Å; N666-F706 HydrophobicContact CB-CD2 4.43Å; N666-F706 HydrophobicContact CB-CG 4.23Å; N666-F706 PolarHBondContact OD1-N 2.78Å; N666-K709 CarbonylContact O-C 3.58Å; N666-K709 VanDerWaalsContact O-CA 3.28Å; N666-K709 WeakPolarHBondContact O-CA 3.48Å; N666-E710 PolarHBondContact O-N 3.03Å |
| 667 | I | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 148.9 | -174.8 | -166.1 | 168.1 | 0 | 0 | 0 | 111.8 | F664 L669 W689 M693 E710 F712 L757 | F664-I667 HydrophobicContact CB-CG2 4.21Å; F664-I667 HydrophobicContact CD2-CG2 3.97Å; F664-I667 PolarHBondContact N-O 3.42Å; I667-L669 HydrophobicContact CD1-CD2 3.89Å; I667-L669 HydrophobicContact CG1-CD2 3.96Å; I667-W689 HydrophobicContact CD1-CE3 3.8Å; I667-W689 HydrophobicContact CD1-CZ3 3.8Å; I667-W689 HydrophobicContact CG2-CB 4.02Å; I667-W689 HydrophobicContact CG2-CE3 4.3Å; I667-W689 HydrophobicContact CG2-CG 4.47Å; I667-M693 HydrophobicContact CB-CG 3.99Å; I667-M693 HydrophobicContact CB-SD 4.23Å; I667-M693 HydrophobicContact CD1-SD 3.99Å; I667-M693 HydrophobicContact CG2-CG 3.94Å; I667-E710 CarbonylContact C-O 3.56Å; I667-E710 VanDerWaalsContact CA-O 3.27Å; I667-E710 WeakPolarHBondContact CA-O 3.37Å; I667-E710 HydrophobicContact CB-CB 4.45Å; I667-E710 HydrophobicContact CD1-CB 4.4Å; I667-E710 HydrophobicContact CG1-CB 4.04Å; I667-F712 HydrophobicContact CD1-CD2 3.82Å; I667-F712 HydrophobicContact CD1-CE2 3.89Å; I667-F712 HydrophobicContact CG1-CD2 4.48Å; I667-L757 HydrophobicContact CD1-CD1 4.46Å; I667-L757 HydrophobicContact CD1-CD2 4.35Å |
| 668 | I | 98.7 | Very high | 97.8 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126 | 174.4 | -50.1 | 176.2 | 0 | 0 | 0 | 109.7 | E661 M662 E663 K709 E710 R711 F712 | E661-I668 HydrophobicContact CB-CG2 4.45Å; M662-I668 CarbonylContact O-C 3.49Å; M662-I668 VanDerWaalsContact O-CA 3.29Å; M662-I668 WeakPolarHBondContact O-CA 3.4Å; E663-I668 HydrophobicContact CB-CD1 4.27Å; E663-I668 HydrophobicContact CB-CG1 4.03Å; E663-I668 HydrophobicContact CB-CG2 4.25Å; E663-I668 HydrophobicContact CG-CD1 3.85Å; E663-I668 HydrophobicContact CG-CG1 3.86Å; I668-K709 HydrophobicContact CD1-CB 4.39Å; I668-K709 HydrophobicContact CD1-CD 3.88Å; I668-K709 HydrophobicContact CG1-CB 4.29Å; I668-K709 HydrophobicContact CG1-CD 3.93Å; I668-E710 PolarHBondContact N-O 2.79Å; I668-R711 HydrophobicContact CB-CG 4.14Å; I668-R711 CarbonylContact O-C 3.55Å; I668-R711 VanDerWaalsContact O-CA 3.29Å; I668-R711 WeakPolarHBondContact O-CA 3.39Å; I668-F712 PolarHBondContact O-N 3.07Å |
| 669 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.1 | -177.9 | -50.7 | 178.3 | 0 | 0 | 0 | 109.7 | E661 M662 F664 I667 W689 F712 L739 F740 | E661-L669 WeakPolarHBondContact CA-O 3.49Å; M662-L669 HydrophobicContact CB-CB 4.45Å; M662-L669 PolarHBondContact N-O 3.03Å; M662-L669 PolarHBondContact O-N 3.44Å; F664-L669 HydrophobicContact CD2-CD1 4.39Å; F664-L669 HydrophobicContact CE2-CD1 3.71Å; F664-L669 HydrophobicContact CE2-CG 4.27Å; I667-L669 HydrophobicContact CD1-CD2 3.89Å; I667-L669 HydrophobicContact CG1-CD2 3.96Å; L669-W689 HydrophobicContact CD1-CD2 4.14Å; L669-W689 HydrophobicContact CD1-CG 4.17Å; L669-W689 HydrophobicContact CD1-CZ2 4.22Å; L669-W689 HydrophobicContact CD2-CZ2 4.42Å; L669-F712 HydrophobicContact CD2-CB 3.99Å; L669-F712 HydrophobicContact CD2-CD2 4.02Å; L669-F712 HydrophobicContact CD2-CG 4.29Å; L669-L739 HydrophobicContact CB-CD1 4.49Å; L669-L739 HydrophobicContact CD1-CB 4.25Å; L669-L739 HydrophobicContact CD2-CD1 4.42Å; L669-F740 HydrophobicContact CB-CE1 4.35Å; L669-F740 HydrophobicContact CB-CZ 3.99Å; L669-F740 HydrophobicContact CD1-CE1 3.99Å; L669-F740 HydrophobicContact CD1-CZ 4.19Å |
| 670 | T | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.7 | -179.2 | -48 | 0 | 0 | 0 | 0 | 110.4 | C576 L612 W659 A660 E661 F712 V713 A714 | C576-T670 HydrophobicContact CB-CG2 3.96Å; L612-T670 HydrophobicContact CD1-CG2 3.84Å; W659-T670 HydrophobicContact CE3-CG2 4.2Å; A660-T670 WeakPolarHBondContact O-CA 3.41Å; E661-T670 HydrophobicContact CG-CG2 3.94Å; T670-F712 VanDerWaalsContact CB-O 3.31Å; T670-F712 WeakPolarHBondContact CB-O 3.44Å; T670-F712 PolarHBondContact N-O 3.07Å; T670-F712 PolarHBondContact OG1-O 2.78Å; T670-V713 HydrophobicContact CG2-CG2 4.48Å; T670-V713 WeakPolarHBondContact O-CA 3.31Å; T670-A714 PolarHBondContact O-N 3.11Å |
| 671 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 163.8 | -176.1 | -62.4 | 0 | 0 | 0 | 0 | 112.2 | A660 S673 L675 I676 A714 L739 F740 | A660-V671 PolarHBondContact N-O 3.2Å; A660-V671 PolarHBondContact O-N 2.9Å; A660-V671 VanDerWaalsContact O-N 3.07Å; V671-S673 PolarHBondContact O-N 2.92Å; V671-L675 HydrophobicContact CB-CD1 4.22Å; V671-L675 HydrophobicContact CG2-CB 4.36Å; V671-I676 HydrophobicContact CG2-CD1 3.76Å; V671-I676 HydrophobicContact CG2-CG1 3.56Å; V671-A714 HydrophobicContact CB-CB 4.37Å; V671-A714 HydrophobicContact CG1-CB 3.73Å; V671-L739 HydrophobicContact CG1-CD1 4.1Å; V671-F740 HydrophobicContact CB-CE2 4.24Å; V671-F740 HydrophobicContact CG1-CE2 3.65Å; V671-F740 HydrophobicContact CG1-CZ 4.02Å; V671-F740 HydrophobicContact CG2-CE2 3.64Å; V671-F740 HydrophobicContact CG2-CZ 3.83Å |
| 672 | P | 98 | Very high | 96.9 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 133.8 | 168.4 | -26.8 | 37 | 0 | 0 | 0 | 111.9 | P658 W659 H674 L675 | P658-P672 WeakPolarHBondContact O-CA 3.37Å; W659-P672 HydrophobicContact CH2-CG 4.22Å; W659-P672 HydrophobicContact CZ3-CG 4.08Å; P672-H674 VanDerWaalsContact CB-CE1 3.49Å; P672-H674 WeakPolarHBondContact CB-CE1 3.33Å; P672-H674 WeakPolarHBondContact CB-ND1 3.48Å; P672-H674 PolarHBondContact O-N 2.9Å; P672-L675 PolarHBondContact O-N 2.74Å; P672-L675 VanDerWaalsContact O-N 3.08Å |
| 673 | S | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -58.8 | -25.9 | -171.9 | -66.1 | 0 | 0 | 0 | 0 | 114.7 | A657 P658 W659 A660 V671 L675 I676 R677 | A657-S673 VanDerWaalsContact O-CB 3.24Å; A657-S673 WeakPolarHBondContact O-CB 3.38Å; A657-S673 PolarHBondContact O-OG 2.98Å; P658-S673 PolarHBondContact O-N 2.95Å; P658-S673 PolarHBondContact O-OG 2.83Å; W659-S673 WeakPolarHBondContact CA-OG 3.28Å; W659-S673 PolarHBondContact N-OG 3.04Å; W659-S673 VanDerWaalsContact N-OG 3.09Å; W659-S673 PolarHBondContact O-OG 3.05Å; W659-S673 VanDerWaalsContact O-OG 3.13Å; A660-S673 PolarHBondContact N-OG 3.06Å; V671-S673 PolarHBondContact O-N 2.92Å; S673-L675 PolarHBondContact O-N 2.94Å; S673-I676 PolarHBondContact O-N 3.47Å; S673-R677 WeakPolarHBondContact O-CG 3.27Å; S673-R677 PolarHBondContact O-N 2.8Å |
| 674 | H | 97 | Very high | 96.7 | Very high | 119 Ų | 119 | 42.8 Ų | 42.8 | 55% | 0.551 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -61.4 | -25.1 | 179 | 71.5 | -92.7 | 0 | 0 | 0 | 112.9 | P672 I676 | P672-H674 VanDerWaalsContact CB-CE1 3.49Å; P672-H674 WeakPolarHBondContact CB-CE1 3.33Å; P672-H674 WeakPolarHBondContact CB-ND1 3.48Å; P672-H674 PolarHBondContact O-N 2.9Å; H674-I676 VanDerWaalsContact C-N 3.3Å |
| 675 | L | 97.1 | Very high | 96.7 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -74.8 | -20.9 | 175.3 | -61.1 | -179 | 0 | 0 | 0 | 113.1 | V671 P672 S673 A737 | V671-L675 HydrophobicContact CB-CD1 4.22Å; V671-L675 HydrophobicContact CG2-CB 4.36Å; P672-L675 PolarHBondContact O-N 2.74Å; P672-L675 VanDerWaalsContact O-N 3.08Å; S673-L675 PolarHBondContact O-N 2.94Å; L675-A737 HydrophobicContact CD2-CB 4.13Å |
| 676 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -27.5 | -172.8 | -61.1 | -54.6 | 0 | 0 | 0 | 112 | P637 W649 R653 A660 M662 V671 S673 H674 D678 L679 F740 | P637-I676 HydrophobicContact CB-CG2 4.2Å; W649-I676 HydrophobicContact CH2-CG2 3.6Å; W649-I676 HydrophobicContact CZ2-CG2 3.82Å; R653-I676 HydrophobicContact CB-CG2 4.41Å; A660-I676 HydrophobicContact CB-CB 4.01Å; A660-I676 HydrophobicContact CB-CG1 3.64Å; A660-I676 HydrophobicContact CB-CG2 4.27Å; M662-I676 HydrophobicContact CE-CB 4.35Å; M662-I676 HydrophobicContact CE-CD1 4.17Å; M662-I676 HydrophobicContact CE-CG1 3.96Å; M662-I676 HydrophobicContact CE-CG2 3.53Å; M662-I676 HydrophobicContact SD-CG2 4.47Å; V671-I676 HydrophobicContact CG2-CD1 3.76Å; V671-I676 HydrophobicContact CG2-CG1 3.56Å; S673-I676 PolarHBondContact O-N 3.47Å; H674-I676 VanDerWaalsContact C-N 3.3Å; I676-D678 PolarHBondContact O-N 3.04Å; I676-L679 HydrophobicContact CD1-CD2 4.29Å; I676-L679 WeakPolarHBondContact O-CB 3.4Å; I676-L679 PolarHBondContact O-N 3.44Å; I676-F740 HydrophobicContact CD1-CD1 3.77Å; I676-F740 HydrophobicContact CD1-CD2 3.91Å; I676-F740 HydrophobicContact CD1-CE1 3.62Å; I676-F740 HydrophobicContact CD1-CE2 3.72Å; I676-F740 HydrophobicContact CD1-CG 3.95Å; I676-F740 HydrophobicContact CD1-CZ 3.59Å |
| 677 | R | 97.1 | Very high | 96.8 | Very high | 85 Ų | 85 | 46.2 Ų | 46.2 | 32% | 0.321 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -29.1 | -175.6 | -80.6 | 172.1 | -173.2 | 153.9 | 2 | 112.9 | R653 K654 S673 | R653-R677 PolarHBondContact NH1-O 3.25Å; R653-R677 WeakPolarHBondContact O-CA 3.19Å; R653-R677 VanDerWaalsContact O-CG 3.31Å; R653-R677 WeakPolarHBondContact O-CG 3.28Å; K654-R677 HydrophobicContact CD-CB 4.14Å; K654-R677 HydrophobicContact CD-CG 4.31Å; K654-R677 WeakPolarHBondContact CE-O 3.49Å; K654-R677 PolarHBondContact NZ-O 3Å; S673-R677 WeakPolarHBondContact O-CG 3.27Å; S673-R677 PolarHBondContact O-N 2.8Å |
| 678 | D | 95.7 | Very high | 96.8 | Very high | 119 Ų | 119 | 46.3 Ų | 46.3 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 6.4 | -178.8 | -58.9 | -32.1 | 0 | 0 | 0 | 113.8 | R653 K654 I676 E680 | R653-D678 VanDerWaalsContact NH1-C 3.34Å; R653-D678 VanDerWaalsContact NH1-CA 3.28Å; K654-D678 IonicContact NZ-OD1 3.48Å; K654-D678 PolarHBondContact NZ-OD1 2.86Å; I676-D678 PolarHBondContact O-N 3.04Å; D678-E680 PolarHBondContact O-N 2.91Å |
| 679 | L | 95.7 | Very high | 96.8 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 12% | 0.12 | 22% | 0.222 | C | C | . | . | trans | -77.9 | 100.9 | 175.5 | -178.2 | 64.5 | 0 | 0 | 0 | 110.9 | W649 R653 I676 V682 V685 F740 | W649-L679 HydrophobicContact CZ2-CD2 4.35Å; W649-L679 PolarHBondContact NE1-O 3.17Å; R653-L679 WeakPolarHBondContact CD-O 3.11Å; I676-L679 HydrophobicContact CD1-CD2 4.29Å; I676-L679 WeakPolarHBondContact O-CB 3.4Å; I676-L679 PolarHBondContact O-N 3.44Å; L679-V682 HydrophobicContact CD2-CB 4.44Å; L679-V682 HydrophobicContact CD2-CG2 4.38Å; L679-V685 HydrophobicContact CD1-CG2 4.03Å; L679-V685 HydrophobicContact CD2-CG2 4.36Å; L679-F740 HydrophobicContact CD1-CB 4.49Å; L679-F740 HydrophobicContact CD2-CB 4.49Å; L679-F740 HydrophobicContact CD2-CD1 3.94Å; L679-F740 HydrophobicContact CD2-CG 4.48Å | ||
| 680 | E | 92.5 | Very high | 96.8 | Very high | 146 Ų | 146 | 47.1 Ų | 47.1 | 68% | 0.682 | 23% | 0.227 | S | C | * | . | trans | -82.6 | -47.6 | -179.4 | -59.8 | -166.1 | 150.8 | 0 | 0 | 112.4 | R653 D678 V682 | R653-E680 IonicContact NH2-OE1 3.85Å; R653-E680 PolarHBondContact NH2-OE1 2.8Å; D678-E680 PolarHBondContact O-N 2.91Å; E680-V682 PolarHBondContact O-N 3.05Å | ||
| 681 | N | 90.9 | Very high | 96.8 | Very high | 71 Ų | 71 | 49 Ų | 49 | 38% | 0.38 | 24% | 0.237 | S | C | . | . | trans | -99 | 80 | -176.2 | -167.8 | -11.1 | 0 | 0 | 0 | 111.9 | L683 E684 | N681-L683 VanDerWaalsContact C-N 3.28Å; N681-L683 PolarHBondContact O-N 2.86Å; N681-L683 PolarHBondContact OD1-N 2.81Å; N681-E684 WeakPolarHBondContact ND2-CG 3.42Å; N681-E684 PolarHBondContact ND2-OE1 3.49Å; N681-E684 PolarHBondContact OD1-N 2.97Å | ||
| 682 | V | 94.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -24 | 177.6 | 66.5 | 0 | 0 | 0 | 0 | 113 | Y639 W649 M662 L679 E680 E684 V685 E686 | Y639-V682 HydrophobicContact CD1-CG2 3.85Å; Y639-V682 HydrophobicContact CD2-CB 4.36Å; Y639-V682 HydrophobicContact CD2-CG1 3.68Å; Y639-V682 HydrophobicContact CD2-CG2 3.81Å; Y639-V682 HydrophobicContact CE1-CG2 4.12Å; Y639-V682 HydrophobicContact CE2-CB 4.43Å; Y639-V682 HydrophobicContact CE2-CG1 3.44Å; Y639-V682 VanDerWaalsContact CE2-CG1 3.44Å; Y639-V682 HydrophobicContact CE2-CG2 4.11Å; Y639-V682 HydrophobicContact CG-CG1 4.42Å; Y639-V682 HydrophobicContact CG-CG2 3.68Å; W649-V682 HydrophobicContact CD2-CB 4.47Å; W649-V682 HydrophobicContact CD2-CG1 4.18Å; W649-V682 HydrophobicContact CG-CG1 4.02Å; W649-V682 HydrophobicContact CZ2-CB 4.29Å; W649-V682 HydrophobicContact CZ2-CG2 4.37Å; M662-V682 HydrophobicContact SD-CG2 4.47Å; L679-V682 HydrophobicContact CD2-CB 4.44Å; L679-V682 HydrophobicContact CD2-CG2 4.38Å; E680-V682 PolarHBondContact O-N 3.05Å; V682-E684 PolarHBondContact O-N 2.74Å; V682-V685 WeakPolarHBondContact O-CB 3.36Å; V682-V685 PolarHBondContact O-N 3.17Å; V682-E686 PolarHBondContact O-N 3.11Å |
| 683 | L | 95.6 | Very high | 96.8 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.3 | -35 | -177.3 | -62.8 | -179.4 | 0 | 0 | 0 | 112.6 | Y639 N681 V685 E686 K687 | Y639-L683 VanDerWaalsContact OH-CD2 3.31Å; Y639-L683 WeakPolarHBondContact OH-CD2 3.49Å; N681-L683 VanDerWaalsContact C-N 3.28Å; N681-L683 PolarHBondContact O-N 2.86Å; N681-L683 PolarHBondContact OD1-N 2.81Å; L683-V685 VanDerWaalsContact C-N 3.33Å; L683-E686 PolarHBondContact O-N 3.22Å; L683-K687 WeakPolarHBondContact O-CB 3.27Å; L683-K687 PolarHBondContact O-N 3.21Å |
| 684 | E | 96.3 | Very high | 96.8 | Very high | 111 Ų | 111 | 52.1 Ų | 52.1 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.2 | -37 | 173.3 | -77.1 | -178.6 | -169.1 | 0 | 0 | 112.3 | N681 V682 K687 L688 P742 | N681-E684 WeakPolarHBondContact ND2-CG 3.42Å; N681-E684 PolarHBondContact ND2-OE1 3.49Å; N681-E684 PolarHBondContact OD1-N 2.97Å; V682-E684 PolarHBondContact O-N 2.74Å; E684-K687 PolarHBondContact O-N 3.26Å; E684-L688 WeakPolarHBondContact O-CB 3.47Å; E684-L688 PolarHBondContact O-N 3.26Å; E684-P742 HydrophobicContact CB-CG 4.08Å |
| 685 | V | 97.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.1 | -45.2 | 174.5 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | F664 L679 V682 L683 K687 L688 W689 F740 P742 | F664-V685 HydrophobicContact CE2-CG1 4.04Å; F664-V685 HydrophobicContact CZ-CB 4.39Å; F664-V685 HydrophobicContact CZ-CG1 3.77Å; L679-V685 HydrophobicContact CD1-CG2 4.03Å; L679-V685 HydrophobicContact CD2-CG2 4.36Å; V682-V685 WeakPolarHBondContact O-CB 3.36Å; V682-V685 PolarHBondContact O-N 3.17Å; L683-V685 VanDerWaalsContact C-N 3.33Å; V685-K687 VanDerWaalsContact C-N 3.33Å; V685-K687 PolarHBondContact O-N 3.12Å; V685-L688 WeakPolarHBondContact O-CB 3.25Å; V685-L688 PolarHBondContact O-N 2.81Å; V685-W689 PolarHBondContact O-N 3.14Å; V685-F740 HydrophobicContact CG1-CD1 3.93Å; V685-F740 HydrophobicContact CG2-CB 4.48Å; V685-P742 HydrophobicContact CG2-CG 4.04Å |
| 686 | E | 97.9 | Very high | 96.9 | Very high | 26 Ų | 26 | 44.4 Ų | 44.4 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 175 | 175.2 | 174.8 | 178.8 | 0 | 0 | 111.1 | Y639 S641 F664 V682 L683 L688 W689 N690 | Y639-E686 HydrophobicContact CE1-CB 4.48Å; Y639-E686 VanDerWaalsContact CE1-OE2 3.27Å; Y639-E686 WeakPolarHBondContact CE1-OE2 3.29Å; Y639-E686 VanDerWaalsContact CZ-OE2 3.28Å; Y639-E686 PolarHBondContact OH-OE2 2.91Å; S641-E686 WeakPolarHBondContact CB-OE1 3.33Å; S641-E686 PolarHBondContact OG-OE1 2.87Å; F664-E686 HydrophobicContact CD1-CB 3.74Å; F664-E686 HydrophobicContact CD1-CG 3.78Å; F664-E686 HydrophobicContact CE1-CB 3.66Å; F664-E686 HydrophobicContact CE1-CG 4.23Å; F664-E686 HydrophobicContact CG-CG 4.43Å; F664-E686 HydrophobicContact CZ-CB 4.41Å; V682-E686 PolarHBondContact O-N 3.11Å; L683-E686 PolarHBondContact O-N 3.22Å; E686-L688 VanDerWaalsContact C-N 3.34Å; E686-L688 PolarHBondContact O-N 2.62Å; E686-W689 PolarHBondContact O-N 2.81Å; E686-N690 VanDerWaalsContact CG-ND2 3.32Å; E686-N690 WeakPolarHBondContact CG-ND2 3.25Å; E686-N690 VanDerWaalsContact O-CB 3.3Å; E686-N690 WeakPolarHBondContact O-CB 3.49Å; E686-N690 VanDerWaalsContact O-CG 3.23Å; E686-N690 PolarHBondContact O-N 3.25Å; E686-N690 PolarHBondContact O-ND2 3.34Å |
| 687 | K | 98 | Very high | 97 | Very high | 121 Ų | 121 | 44.4 Ų | 44.4 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.6 | -46.9 | 178.1 | -173.6 | -177 | -176.3 | -59.7 | 0 | 111.3 | L683 E684 V685 W689 D691 | L683-K687 WeakPolarHBondContact O-CB 3.27Å; L683-K687 PolarHBondContact O-N 3.21Å; E684-K687 PolarHBondContact O-N 3.26Å; V685-K687 VanDerWaalsContact C-N 3.33Å; V685-K687 PolarHBondContact O-N 3.12Å; K687-W689 PolarHBondContact O-N 3.5Å; K687-D691 IonicContact NZ-OD2 3.69Å; K687-D691 PolarHBondContact NZ-OD2 2.99Å; K687-D691 WeakPolarHBondContact O-CB 3.34Å; K687-D691 PolarHBondContact O-N 2.67Å |
| 688 | L | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.5 | -53.6 | 177.5 | 174.8 | 73.5 | 0 | 0 | 0 | 111.6 | E684 V685 E686 D691 I692 P742 A745 L789 | E684-L688 WeakPolarHBondContact O-CB 3.47Å; E684-L688 PolarHBondContact O-N 3.26Å; V685-L688 WeakPolarHBondContact O-CB 3.25Å; V685-L688 PolarHBondContact O-N 2.81Å; E686-L688 VanDerWaalsContact C-N 3.34Å; E686-L688 PolarHBondContact O-N 2.62Å; L688-D691 PolarHBondContact O-N 3.3Å; L688-I692 HydrophobicContact CD1-CD1 4.06Å; L688-I692 HydrophobicContact CG-CD1 3.92Å; L688-I692 WeakPolarHBondContact O-CG1 3.35Å; L688-I692 PolarHBondContact O-N 2.88Å; L688-P742 HydrophobicContact CB-CB 4.45Å; L688-P742 HydrophobicContact CD2-CB 4.22Å; L688-P742 HydrophobicContact CD2-CG 4.3Å; L688-A745 HydrophobicContact CD1-CB 3.96Å; L688-A745 HydrophobicContact CD2-CB 3.85Å; L688-L789 HydrophobicContact CD1-CD2 3.68Å |
| 689 | W | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.6 | -34.1 | -174.9 | -79.1 | 101.7 | 0 | 0 | 0 | 113 | F664 I667 L669 V685 E686 K687 D691 I692 M693 L739 L750 E753 L757 | F664-W689 HydrophobicContact CD2-CB 3.65Å; F664-W689 HydrophobicContact CD2-CG 4.08Å; F664-W689 HydrophobicContact CE2-CB 3.99Å; F664-W689 AromaticContact CE2-CD1 3.73Å; F664-W689 HydrophobicContact CE2-CG 4.01Å; I667-W689 HydrophobicContact CD1-CE3 3.8Å; I667-W689 HydrophobicContact CD1-CZ3 3.8Å; I667-W689 HydrophobicContact CG2-CB 4.02Å; I667-W689 HydrophobicContact CG2-CE3 4.3Å; I667-W689 HydrophobicContact CG2-CG 4.47Å; L669-W689 HydrophobicContact CD1-CD2 4.14Å; L669-W689 HydrophobicContact CD1-CG 4.17Å; L669-W689 HydrophobicContact CD1-CZ2 4.22Å; L669-W689 HydrophobicContact CD2-CZ2 4.42Å; V685-W689 PolarHBondContact O-N 3.14Å; E686-W689 PolarHBondContact O-N 2.81Å; K687-W689 PolarHBondContact O-N 3.5Å; W689-D691 VanDerWaalsContact C-N 3.34Å; W689-I692 HydrophobicContact CD2-CD1 4.45Å; W689-I692 HydrophobicContact CE3-CB 4.46Å; W689-I692 HydrophobicContact CE3-CD1 4.22Å; W689-I692 HydrophobicContact CE3-CG2 4.23Å; W689-I692 HydrophobicContact CZ3-CD1 4.42Å; W689-I692 HydrophobicContact CZ3-CG2 4.3Å; W689-I692 PolarHBondContact O-N 2.83Å; W689-M693 WeakPolarHBondContact O-CB 3.21Å; W689-M693 VanDerWaalsContact O-CG 3.3Å; W689-M693 WeakPolarHBondContact O-CG 3.08Å; W689-M693 PolarHBondContact O-N 3.47Å; W689-L739 HydrophobicContact CH2-CD2 3.9Å; W689-L739 HydrophobicContact CZ2-CB 4.13Å; W689-L739 HydrophobicContact CZ2-CD2 3.56Å; W689-L739 HydrophobicContact CZ2-CG 4.44Å; W689-L739 PolarHBondContact NE1-O 3.4Å; W689-L750 HydrophobicContact CH2-CD1 4.41Å; W689-L750 HydrophobicContact CZ2-CD1 4.21Å; W689-E753 HydrophobicContact CH2-CB 4.28Å; W689-L757 HydrophobicContact CZ3-CD1 4.24Å |
| 690 | N | 98.4 | Very high | 97.2 | Very high | 19 Ų | 19 | 36.4 Ų | 36.4 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 171.3 | -72.3 | -16.5 | 0 | 0 | 0 | 110.7 | E665 E686 K694 | E665-N690 WeakPolarHBondContact CB-OD1 3.45Å; E665-N690 PolarHBondContact N-OD1 2.73Å; E686-N690 VanDerWaalsContact CG-ND2 3.32Å; E686-N690 WeakPolarHBondContact CG-ND2 3.25Å; E686-N690 VanDerWaalsContact O-CB 3.3Å; E686-N690 WeakPolarHBondContact O-CB 3.49Å; E686-N690 VanDerWaalsContact O-CG 3.23Å; E686-N690 PolarHBondContact O-N 3.25Å; E686-N690 PolarHBondContact O-ND2 3.34Å; N690-K694 WeakPolarHBondContact O-CB 3.44Å; N690-K694 WeakPolarHBondContact O-CG 3.39Å; N690-K694 PolarHBondContact O-N 3.01Å |
| 691 | D | 98.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 32.1 Ų | 32.1 | 21% | 0.214 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 176.4 | -68.7 | -17.5 | 0 | 0 | 0 | 111.3 | K687 L688 W689 M693 K694 G695 V788 | K687-D691 IonicContact NZ-OD2 3.69Å; K687-D691 PolarHBondContact NZ-OD2 2.99Å; K687-D691 WeakPolarHBondContact O-CB 3.34Å; K687-D691 PolarHBondContact O-N 2.67Å; L688-D691 PolarHBondContact O-N 3.3Å; W689-D691 VanDerWaalsContact C-N 3.34Å; D691-M693 PolarHBondContact O-N 3.14Å; D691-K694 PolarHBondContact O-N 2.88Å; D691-G695 PolarHBondContact O-N 2.9Å; D691-G695 VanDerWaalsContact O-N 3.08Å; D691-V788 HydrophobicContact CB-CG1 3.81Å; D691-V788 WeakPolarHBondContact O-CG1 3.3Å |
| 692 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.8 | -50.7 | 175.8 | -73.5 | 169.6 | 0 | 0 | 0 | 111 | L688 W689 K694 G695 V696 L750 I754 V784 L789 | L688-I692 HydrophobicContact CD1-CD1 4.06Å; L688-I692 HydrophobicContact CG-CD1 3.92Å; L688-I692 WeakPolarHBondContact O-CG1 3.35Å; L688-I692 PolarHBondContact O-N 2.88Å; W689-I692 HydrophobicContact CD2-CD1 4.45Å; W689-I692 HydrophobicContact CE3-CB 4.46Å; W689-I692 HydrophobicContact CE3-CD1 4.22Å; W689-I692 HydrophobicContact CE3-CG2 4.23Å; W689-I692 HydrophobicContact CZ3-CD1 4.42Å; W689-I692 HydrophobicContact CZ3-CG2 4.3Å; W689-I692 PolarHBondContact O-N 2.83Å; I692-K694 VanDerWaalsContact C-N 3.3Å; I692-K694 PolarHBondContact O-N 2.77Å; I692-G695 WeakPolarHBondContact O-CA 3.37Å; I692-G695 PolarHBondContact O-N 3.49Å; I692-G695 VanDerWaalsContact O-N 3.08Å; I692-V696 HydrophobicContact CG2-CG2 4.46Å; I692-V696 WeakPolarHBondContact O-CG2 3.49Å; I692-V696 PolarHBondContact O-N 3.22Å; I692-L750 HydrophobicContact CD1-CD1 4.04Å; I692-I754 HydrophobicContact CG2-CG1 4.45Å; I692-V784 HydrophobicContact CB-CG1 4.32Å; I692-V784 HydrophobicContact CG1-CG1 3.97Å; I692-V784 HydrophobicContact CG2-CG1 4.06Å; I692-L789 HydrophobicContact CD1-CD2 4.26Å; I692-L789 HydrophobicContact CG1-CD2 4.1Å |
| 693 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.5 | -31.2 | -176.6 | -70.4 | -54.8 | -60.7 | 0 | 0 | 112.6 | N666 I667 W689 D691 V696 A697 F706 E710 L757 | N666-M693 HydrophobicContact CB-CB 3.77Å; N666-M693 HydrophobicContact CB-CE 4.15Å; N666-M693 HydrophobicContact CB-CG 4.03Å; I667-M693 HydrophobicContact CB-CG 3.99Å; I667-M693 HydrophobicContact CB-SD 4.23Å; I667-M693 HydrophobicContact CD1-SD 3.99Å; I667-M693 HydrophobicContact CG2-CG 3.94Å; W689-M693 WeakPolarHBondContact O-CB 3.21Å; W689-M693 VanDerWaalsContact O-CG 3.3Å; W689-M693 WeakPolarHBondContact O-CG 3.08Å; W689-M693 PolarHBondContact O-N 3.47Å; D691-M693 PolarHBondContact O-N 3.14Å; M693-V696 PolarHBondContact O-N 3.15Å; M693-A697 WeakPolarHBondContact O-CB 3.1Å; M693-A697 PolarHBondContact O-N 2.88Å; M693-F706 HydrophobicContact CE-CD2 4Å; M693-F706 HydrophobicContact CE-CE2 3.34Å; M693-F706 HydrophobicContact CE-CZ 3.78Å; M693-E710 HydrophobicContact CE-CB 4.16Å; M693-E710 HydrophobicContact CE-CG 3.74Å; M693-L757 HydrophobicContact CE-CD2 4.43Å; M693-L757 HydrophobicContact SD-CD1 3.96Å; M693-L757 HydrophobicContact SD-CD2 4.11Å |
| 694 | K | 98.4 | Very high | 97.6 | Very high | 85 Ų | 85 | 36 Ų | 36 | 37% | 0.37 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 169.7 | -72.9 | 170.8 | -177.4 | 172.2 | 0 | 111.7 | N690 D691 I692 A697 D698 Q704 | N690-K694 WeakPolarHBondContact O-CB 3.44Å; N690-K694 WeakPolarHBondContact O-CG 3.39Å; N690-K694 PolarHBondContact O-N 3.01Å; D691-K694 PolarHBondContact O-N 2.88Å; I692-K694 VanDerWaalsContact C-N 3.3Å; I692-K694 PolarHBondContact O-N 2.77Å; K694-A697 PolarHBondContact O-N 3.28Å; K694-D698 WeakPolarHBondContact O-CB 3.47Å; K694-D698 PolarHBondContact O-N 3.43Å; K694-Q704 VanDerWaalsContact CA-OE1 3.28Å; K694-Q704 VanDerWaalsContact CB-OE1 3.26Å; K694-Q704 VanDerWaalsContact CG-OE1 3.26Å; K694-Q704 PolarHBondContact O-OE1 3.16Å |
| 695 | G | 98.3 | Very high | 97.4 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | D691 I692 D698 L699 Y783 | D691-G695 PolarHBondContact O-N 2.9Å; D691-G695 VanDerWaalsContact O-N 3.08Å; I692-G695 WeakPolarHBondContact O-CA 3.37Å; I692-G695 PolarHBondContact O-N 3.49Å; I692-G695 VanDerWaalsContact O-N 3.08Å; G695-D698 PolarHBondContact O-N 2.94Å; G695-L699 PolarHBondContact O-N 3.09Å; G695-Y783 VanDerWaalsContact O-CE1 3.31Å; G695-Y783 WeakPolarHBondContact O-CE1 3.27Å |
| 696 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | I692 M693 A700 F706 L757 Q761 W780 V784 | I692-V696 HydrophobicContact CG2-CG2 4.46Å; I692-V696 WeakPolarHBondContact O-CG2 3.49Å; I692-V696 PolarHBondContact O-N 3.22Å; M693-V696 PolarHBondContact O-N 3.15Å; V696-A700 VanDerWaalsContact O-CB 3.31Å; V696-A700 WeakPolarHBondContact O-CB 3.5Å; V696-A700 PolarHBondContact O-N 3.49Å; V696-A700 VanDerWaalsContact O-N 3.12Å; V696-F706 HydrophobicContact CG1-CZ 4.47Å; V696-L757 HydrophobicContact CG2-CD1 4.49Å; V696-Q761 HydrophobicContact CG1-CG 3.75Å; V696-W780 PolarHBondContact O-NE1 3.43Å; V696-V784 HydrophobicContact CG2-CG2 4.01Å |
| 697 | A | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M693 K694 A700 V701 I702 F706 | M693-A697 WeakPolarHBondContact O-CB 3.1Å; M693-A697 PolarHBondContact O-N 2.88Å; K694-A697 PolarHBondContact O-N 3.28Å; A697-A700 CarbonylContact O-C 3.44Å; A697-A700 PolarHBondContact O-N 3.14Å; A697-V701 PolarHBondContact O-N 3.43Å; A697-I702 HydrophobicContact CB-CG1 4.11Å; A697-I702 PolarHBondContact O-N 3.05Å; A697-F706 HydrophobicContact CB-CE1 3.65Å; A697-F706 HydrophobicContact CB-CZ 4.29Å |
| 698 | D | 98.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 40.1 Ų | 40.1 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.9 | -46.6 | -177 | 178 | 40 | 0 | 0 | 0 | 112 | K694 G695 A700 V701 Y783 K844 | K694-D698 WeakPolarHBondContact O-CB 3.47Å; K694-D698 PolarHBondContact O-N 3.43Å; G695-D698 PolarHBondContact O-N 2.94Å; D698-A700 VanDerWaalsContact C-N 3.34Å; D698-A700 PolarHBondContact O-N 2.76Å; D698-V701 PolarHBondContact O-N 2.89Å; D698-Y783 PolarHBondContact OD2-OH 3.18Å; D698-K844 WeakPolarHBondContact OD1-CE 3.44Å; D698-K844 IonicContact OD1-NZ 3.43Å; D698-K844 PolarHBondContact OD1-NZ 3.34Å; D698-K844 IonicContact OD2-NZ 2.7Å; D698-K844 PolarHBondContact OD2-NZ 3.16Å |
| 699 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 173.7 | -176.5 | 64.5 | 0 | 0 | 0 | 111.4 | G695 V701 L779 W780 Y783 W840 F843 F847 | G695-L699 PolarHBondContact O-N 3.09Å; L699-V701 PolarHBondContact O-N 3.2Å; L699-L779 HydrophobicContact CD2-CB 4.29Å; L699-W780 HydrophobicContact CD2-CB 4.49Å; L699-W780 HydrophobicContact CD2-CD2 3.9Å; L699-W780 HydrophobicContact CD2-CG 3.89Å; L699-Y783 HydrophobicContact CB-CD1 3.69Å; L699-Y783 HydrophobicContact CB-CE1 3.92Å; L699-Y783 HydrophobicContact CB-CG 4.01Å; L699-Y783 HydrophobicContact CD1-CD2 4.09Å; L699-Y783 HydrophobicContact CD1-CE2 4.4Å; L699-Y783 HydrophobicContact CD1-CG 4.25Å; L699-Y783 HydrophobicContact CD2-CD1 4.34Å; L699-Y783 HydrophobicContact CD2-CG 3.95Å; L699-Y783 HydrophobicContact CG-CD1 4.46Å; L699-Y783 HydrophobicContact CG-CG 4.29Å; L699-W840 HydrophobicContact CD1-CE3 3.76Å; L699-W840 HydrophobicContact CD1-CZ3 4.1Å; L699-W840 HydrophobicContact CD2-CZ3 4.35Å; L699-F843 HydrophobicContact CD1-CB 4.31Å; L699-F847 HydrophobicContact CD1-CE2 4.28Å; L699-F847 HydrophobicContact CG-CE2 4.21Å; L699-F847 VanDerWaalsContact O-CD2 3.28Å; L699-F847 WeakPolarHBondContact O-CD2 3.36Å |
| 700 | A | 96.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.2 | -10 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | V696 A697 D698 I702 Q761 W780 H851 | V696-A700 VanDerWaalsContact O-CB 3.31Å; V696-A700 WeakPolarHBondContact O-CB 3.5Å; V696-A700 PolarHBondContact O-N 3.49Å; V696-A700 VanDerWaalsContact O-N 3.12Å; A697-A700 CarbonylContact O-C 3.44Å; A697-A700 PolarHBondContact O-N 3.14Å; D698-A700 VanDerWaalsContact C-N 3.34Å; D698-A700 PolarHBondContact O-N 2.76Å; A700-I702 VanDerWaalsContact C-N 3.33Å; A700-I702 HydrophobicContact CB-CD1 4.16Å; A700-I702 HydrophobicContact CB-CG1 4.02Å; A700-I702 HydrophobicContact CB-CG2 4.28Å; A700-I702 PolarHBondContact O-N 3.42Å; A700-Q761 HydrophobicContact CB-CB 4.4Å; A700-Q761 HydrophobicContact CB-CG 4.27Å; A700-W780 HydrophobicContact CB-CZ2 3.99Å; A700-H851 PolarHBondContact O-NE2 3.31Å |
| 701 | V | 97.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 34% | 0.339 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 50.1 | -175.1 | -162.4 | 0 | 0 | 0 | 0 | 111.7 | A697 D698 L699 K844 F847 A848 H851 | A697-V701 PolarHBondContact O-N 3.43Å; D698-V701 PolarHBondContact O-N 2.89Å; L699-V701 PolarHBondContact O-N 3.2Å; V701-K844 HydrophobicContact CG2-CB 3.66Å; V701-K844 HydrophobicContact CG2-CG 3.99Å; V701-K844 WeakPolarHBondContact CG2-O 3.48Å; V701-F847 HydrophobicContact CG2-CB 4.45Å; V701-A848 HydrophobicContact CG1-CB 4.07Å; V701-H851 PolarHBondContact O-CD2 3.13Å; V701-H851 PolarHBondContact O-NE2 2.54Å |
| 702 | I | 94.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 39.7 Ų | 39.7 | 21% | 0.205 | 20% | 0.198 | C | C | . | . | trans | -119.5 | 164.4 | 176 | 62.4 | 175.9 | 0 | 0 | 0 | 110.2 | A697 A700 Q704 F706 | A697-I702 HydrophobicContact CB-CG1 4.11Å; A697-I702 PolarHBondContact O-N 3.05Å; A700-I702 VanDerWaalsContact C-N 3.33Å; A700-I702 HydrophobicContact CB-CD1 4.16Å; A700-I702 HydrophobicContact CB-CG1 4.02Å; A700-I702 HydrophobicContact CB-CG2 4.28Å; A700-I702 PolarHBondContact O-N 3.42Å; I702-Q704 PolarHBondContact O-N 2.88Å; I702-F706 HydrophobicContact CD1-CD1 4.41Å; I702-F706 HydrophobicContact CD1-CE1 3.6Å; I702-F706 HydrophobicContact CD1-CZ 3.71Å; I702-F706 HydrophobicContact CG1-CE1 4.15Å | ||
| 703 | P | 94.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 39.8 Ų | 39.8 | 66% | 0.662 | 20% | 0.199 | S | C | * | . | trans | -53.1 | 136.5 | 176.3 | -28.2 | 36.6 | 0 | 0 | 0 | 112.5 | K705 | P703-K705 PolarHBondContact O-N 3.5Š| ||
| 704 | Q | 94.2 | Very high | 96.5 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 41% | 0.407 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -60.9 | -26.5 | -178.5 | -71.3 | -68.6 | -35 | 0 | 0 | 113.2 | N666 K694 I702 | N666-Q704 PolarHBondContact ND2-O 2.88Å; K694-Q704 VanDerWaalsContact CA-OE1 3.28Å; K694-Q704 VanDerWaalsContact CB-OE1 3.26Å; K694-Q704 VanDerWaalsContact CG-OE1 3.26Å; K694-Q704 PolarHBondContact O-OE1 3.16Å; I702-Q704 PolarHBondContact O-N 2.88Å |
| 705 | K | 93.9 | Very high | 96.4 | Very high | 150 Ų | 150 | 35.9 Ų | 35.9 | 65% | 0.652 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -100.3 | 121.6 | 171.5 | -176.2 | 172.5 | -177.9 | 174.3 | 0 | 109.5 | P703 | P703-K705 PolarHBondContact O-N 3.5Š|
| 706 | F | 93.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 37.4 Ų | 37.4 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | trans | -78.3 | 138.2 | -179.3 | -74.6 | 17.8 | 0 | 0 | 0 | 109.8 | N666 M693 V696 A697 I702 R708 E710 | N666-F706 HydrophobicContact CB-CB 4.45Å; N666-F706 HydrophobicContact CB-CD2 4.43Å; N666-F706 HydrophobicContact CB-CG 4.23Å; N666-F706 PolarHBondContact OD1-N 2.78Å; M693-F706 HydrophobicContact CE-CD2 4Å; M693-F706 HydrophobicContact CE-CE2 3.34Å; M693-F706 HydrophobicContact CE-CZ 3.78Å; V696-F706 HydrophobicContact CG1-CZ 4.47Å; A697-F706 HydrophobicContact CB-CE1 3.65Å; A697-F706 HydrophobicContact CB-CZ 4.29Å; I702-F706 HydrophobicContact CD1-CD1 4.41Å; I702-F706 HydrophobicContact CD1-CE1 3.6Å; I702-F706 HydrophobicContact CD1-CZ 3.71Å; I702-F706 HydrophobicContact CG1-CE1 4.15Å; F706-R708 VanDerWaalsContact C-N 3.29Å; F706-E710 HydrophobicContact CD2-CG 4.2Å; F706-E710 HydrophobicContact CE2-CG 3.99Å | ||
| 707 | I | 90.3 | Very high | 96.2 | Very high | 113 Ų | 113 | 37.8 Ų | 37.8 | 58% | 0.579 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -64 | -41.8 | 171.7 | -64 | 177.4 | 0 | 0 | 0 | 109.6 | Q537 | Q537-I707 VanDerWaalsContact O-CG2 3.27Å; Q537-I707 WeakPolarHBondContact O-CG2 3.47Å |
| 708 | R | 93.6 | Very high | 96.1 | Very high | 60 Ų | 60 | 37.8 Ų | 37.8 | 23% | 0.226 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -121.2 | 119.8 | 175.7 | -178.6 | -178.3 | 70.4 | 166.1 | 2.8 | 108.5 | Y541 M542 E543 F706 Y727 | Y541-R708 VanDerWaalsContact CB-NH1 3.29Å; M542-R708 WeakPolarHBondContact O-CD 3.46Å; M542-R708 PolarHBondContact O-NH1 3.31Å; E543-R708 HydrophobicContact CB-CG 4.11Å; E543-R708 HydrophobicContact CG-CG 4.11Å; F706-R708 VanDerWaalsContact C-N 3.29Å; R708-Y727 HydrophobicContact CG-CE2 4.16Å |
| 709 | K | 95.6 | Very high | 95.9 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 16% | 0.161 | 20% | 0.195 | C | C | . | . | trans | -60.2 | 144.2 | 176.5 | -60.5 | -176.7 | -178.6 | -166.5 | 0 | 110.6 | E663 F664 E665 N666 I668 Y727 | E663-K709 HydrophobicContact CG-CD 4.27Å; E663-K709 IonicContact OE1-NZ 2.81Å; E663-K709 PolarHBondContact OE1-NZ 3Å; F664-K709 WeakPolarHBondContact O-CE 3.42Å; F664-K709 PolarHBondContact O-NZ 3.12Å; E665-K709 WeakPolarHBondContact O-CE 3.19Å; N666-K709 CarbonylContact O-C 3.58Å; N666-K709 VanDerWaalsContact O-CA 3.28Å; N666-K709 WeakPolarHBondContact O-CA 3.48Å; I668-K709 HydrophobicContact CD1-CB 4.39Å; I668-K709 HydrophobicContact CD1-CD 3.88Å; I668-K709 HydrophobicContact CG1-CB 4.29Å; I668-K709 HydrophobicContact CG1-CD 3.93Å; K709-Y727 WeakPolarHBondContact O-CE2 3.12Å | ||
| 710 | E | 97.6 | Very high | 95.7 | Very high | 13 Ų | 13 | 40 Ų | 40 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 161.4 | 167.3 | -69.1 | -64.1 | 169.8 | 0 | 0 | 110.8 | N666 I667 I668 M693 F706 L757 N760 | N666-E710 PolarHBondContact O-N 3.03Å; I667-E710 CarbonylContact C-O 3.56Å; I667-E710 VanDerWaalsContact CA-O 3.27Å; I667-E710 WeakPolarHBondContact CA-O 3.37Å; I667-E710 HydrophobicContact CB-CB 4.45Å; I667-E710 HydrophobicContact CD1-CB 4.4Å; I667-E710 HydrophobicContact CG1-CB 4.04Å; I668-E710 PolarHBondContact N-O 2.79Å; M693-E710 HydrophobicContact CE-CB 4.16Å; M693-E710 HydrophobicContact CE-CG 3.74Å; F706-E710 HydrophobicContact CD2-CG 4.2Å; F706-E710 HydrophobicContact CE2-CG 3.99Å; E710-L757 HydrophobicContact CB-CD2 3.98Å; E710-L757 HydrophobicContact CG-CD2 3.88Å; E710-N760 PolarHBondContact OE2-ND2 2.77Å |
| 711 | R | 97.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 137.5 | -177.8 | -69.4 | -171 | 165.4 | -100.3 | 8 | 112.2 | W544 S546 E661 I668 Y727 P728 I729 | W544-R711 PolarHBondContact O-NH2 2.82Å; S546-R711 PolarHBondContact OG-NH1 2.78Å; S546-R711 PolarHBondContact OG-NH2 3.42Å; E661-R711 IonicContact OE1-NH1 2.7Å; E661-R711 PolarHBondContact OE1-NH1 2.97Å; I668-R711 HydrophobicContact CB-CG 4.14Å; I668-R711 CarbonylContact O-C 3.55Å; I668-R711 VanDerWaalsContact O-CA 3.29Å; I668-R711 WeakPolarHBondContact O-CA 3.39Å; R711-Y727 HydrophobicContact CB-CD2 4.42Å; R711-Y727 HydrophobicContact CB-CE2 4.08Å; R711-Y727 HydrophobicContact CG-CD2 4.46Å; R711-Y727 HydrophobicContact CG-CE2 3.65Å; R711-Y727 PolarHBondContact NE-OH 2.84Å; R711-P728 HydrophobicContact CB-CB 3.88Å; R711-P728 CarbonylContact O-C 3.57Å; R711-P728 WeakPolarHBondContact O-CA 3.44Å; R711-I729 WeakPolarHBondContact O-CB 3.33Å; R711-I729 PolarHBondContact O-N 3.31Å |
| 712 | F | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144 | 165.8 | -84.3 | -101.9 | 0 | 0 | 0 | 111.1 | I667 I668 L669 T670 I729 M731 E753 L757 | I667-F712 HydrophobicContact CD1-CD2 3.82Å; I667-F712 HydrophobicContact CD1-CE2 3.89Å; I667-F712 HydrophobicContact CG1-CD2 4.48Å; I668-F712 PolarHBondContact O-N 3.07Å; L669-F712 HydrophobicContact CD2-CB 3.99Å; L669-F712 HydrophobicContact CD2-CD2 4.02Å; L669-F712 HydrophobicContact CD2-CG 4.29Å; T670-F712 VanDerWaalsContact CB-O 3.31Å; T670-F712 WeakPolarHBondContact CB-O 3.44Å; T670-F712 PolarHBondContact N-O 3.07Å; T670-F712 PolarHBondContact OG1-O 2.78Å; F712-I729 CarbonylContact C-O 3.48Å; F712-I729 WeakPolarHBondContact CA-O 3.38Å; F712-I729 HydrophobicContact CD1-CB 4Å; F712-I729 HydrophobicContact CD1-CG2 3.69Å; F712-I729 HydrophobicContact CD2-CB 4.31Å; F712-I729 HydrophobicContact CD2-CD1 4.25Å; F712-I729 HydrophobicContact CE1-CB 3.97Å; F712-I729 HydrophobicContact CE1-CD1 4.38Å; F712-I729 HydrophobicContact CE1-CG2 3.32Å; F712-I729 HydrophobicContact CE2-CB 4.27Å; F712-I729 HydrophobicContact CE2-CD1 3.57Å; F712-I729 HydrophobicContact CE2-CG1 4.47Å; F712-I729 HydrophobicContact CE2-CG2 4.38Å; F712-I729 HydrophobicContact CG-CB 4.19Å; F712-I729 HydrophobicContact CG-CG2 4.38Å; F712-I729 HydrophobicContact CZ-CB 4.1Å; F712-I729 HydrophobicContact CZ-CD1 3.65Å; F712-I729 HydrophobicContact CZ-CG1 4.46Å; F712-I729 HydrophobicContact CZ-CG2 3.71Å; F712-M731 HydrophobicContact CD1-CG 4.44Å; F712-M731 HydrophobicContact CD1-SD 3.73Å; F712-M731 HydrophobicContact CE1-SD 4.36Å; F712-E753 HydrophobicContact CE1-CB 4.21Å; F712-E753 HydrophobicContact CE1-CG 4.29Å; F712-E753 HydrophobicContact CZ-CB 4.02Å; F712-L757 HydrophobicContact CE2-CD1 4.27Å; F712-L757 HydrophobicContact CE2-CD2 4.1Å; F712-L757 HydrophobicContact CE2-CG 4.01Å; F712-L757 HydrophobicContact CZ-CG 4.27Å |
| 713 | V | 98.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 118.5 | 167.7 | 175.8 | 0 | 0 | 0 | 0 | 109.3 | C576 T670 D715 P728 I729 M730 M731 | C576-V713 HydrophobicContact CB-CG1 4.39Å; C576-V713 HydrophobicContact CB-CG2 4.25Å; T670-V713 HydrophobicContact CG2-CG2 4.48Å; T670-V713 WeakPolarHBondContact O-CA 3.31Å; V713-D715 PolarHBondContact O-N 3.31Å; V713-P728 HydrophobicContact CB-CB 4.33Å; V713-P728 HydrophobicContact CB-CG 4.23Å; V713-P728 HydrophobicContact CG2-CB 3.68Å; V713-P728 HydrophobicContact CG2-CG 3.65Å; V713-I729 PolarHBondContact N-O 3.35Å; V713-M730 HydrophobicContact CB-CE 4.35Å; V713-M730 HydrophobicContact CB-SD 3.77Å; V713-M730 HydrophobicContact CG1-CE 4.1Å; V713-M730 HydrophobicContact CG1-SD 4.14Å; V713-M731 PolarHBondContact O-N 3.47Å |
| 714 | A | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 99.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | W659 T670 V671 M731 | W659-A714 WeakPolarHBondContact CZ3-O 3.29Å; T670-A714 PolarHBondContact O-N 3.11Å; V671-A714 HydrophobicContact CB-CB 4.37Å; V671-A714 HydrophobicContact CG1-CB 3.73Å; A714-M731 CarbonylContact C-O 3.53Å; A714-M731 WeakPolarHBondContact CA-O 3.45Å; A714-M731 HydrophobicContact CB-CG 3.81Å; A714-M731 HydrophobicContact CB-SD 4.21Å |
| 715 | D | 97.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 149.2 | -172.4 | -168.7 | 3.9 | 0 | 0 | 0 | 111.1 | Q577 R588 V713 Q717 I718 M730 M731 H732 S733 | Q577-D715 HydrophobicContact CG-CB 4.32Å; Q577-D715 WeakPolarHBondContact CG-OD2 3.25Å; R588-D715 WeakPolarHBondContact CD-OD1 3.36Å; R588-D715 IonicContact CZ-OD2 2.67Å; R588-D715 IonicContact NE-OD1 3.15Å; R588-D715 PolarHBondContact NE-OD1 3.02Å; R588-D715 IonicContact NE-OD2 3.87Å; R588-D715 PolarHBondContact NE-OD2 3.46Å; R588-D715 IonicContact NH2-OD2 3.76Å; R588-D715 PolarHBondContact NH2-OD2 3.01Å; V713-D715 PolarHBondContact O-N 3.31Å; D715-Q717 PolarHBondContact O-N 2.7Å; D715-I718 HydrophobicContact CB-CG2 4.08Å; D715-M730 HydrophobicContact CB-CE 3.65Å; D715-M731 PolarHBondContact N-O 2.84Å; D715-H732 CarbonylContact O-C 3.6Å; D715-H732 WeakPolarHBondContact O-CA 3.45Å; D715-S733 PolarHBondContact O-N 3.31Å |
| 716 | V | 96.2 | Very high | 95.6 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 22% | 0.218 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -62.1 | -31.6 | 178 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | K484 E587 R588 | K484-V716 HydrophobicContact CB-CG2 3.75Å; E587-V716 HydrophobicContact CB-CG1 4.45Å; E587-V716 HydrophobicContact CB-CG2 4.39Å; R588-V716 HydrophobicContact CB-CG1 3.98Å; R588-V716 HydrophobicContact CG-CG1 4.01Å |
| 717 | Q | 96.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -148.8 | 124.6 | 178.3 | -175.8 | 179.9 | 32.8 | 0 | 0 | 111.4 | L581 K585 E587 R588 D715 | L581-Q717 HydrophobicContact CD1-CB 4.35Å; L581-Q717 HydrophobicContact CD1-CG 4.13Å; L581-Q717 VanDerWaalsContact CD1-OE1 3.27Å; L581-Q717 HydrophobicContact CD2-CG 4.23Å; K585-Q717 PolarHBondContact O-NE2 3.24Å; E587-Q717 HydrophobicContact CB-CB 4.03Å; R588-Q717 PolarHBondContact NE-O 3.42Å; R588-Q717 PolarHBondContact NH2-O 3.13Å; D715-Q717 PolarHBondContact O-N 2.7Å |
| 718 | I | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -105 | 167.1 | 176.2 | 65.5 | 179.5 | 0 | 0 | 0 | 111.7 | K583 D715 A720 W722 M730 | K583-I718 WeakPolarHBondContact CE-O 3.22Å; K583-I718 PolarHBondContact NZ-O 3.24Å; D715-I718 HydrophobicContact CB-CG2 4.08Å; I718-A720 WeakPolarHBondContact CD1-O 3.28Å; I718-A720 WeakPolarHBondContact CG1-O 3.21Å; I718-W722 VanDerWaalsContact CD1-O 3.3Å; I718-W722 WeakPolarHBondContact CD1-O 3.26Å; I718-M730 HydrophobicContact CB-CB 4.37Å; I718-M730 HydrophobicContact CG2-CB 3.84Å; I718-M730 HydrophobicContact CG2-CE 4.15Å | ||
| 719 | S | 94.8 | Very high | 96.2 | Very high | 50 Ų | 50 | 26.4 Ų | 26.4 | 35% | 0.35 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -73.3 | -38.2 | -175 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | D579 K583 H724 | D579-S719 WeakPolarHBondContact OD2-CA 3.23Å; D579-S719 WeakPolarHBondContact OD2-CB 3.33Å; D579-S719 PolarHBondContact OD2-N 3.2Å; D579-S719 PolarHBondContact OD2-OG 2.95Å; K583-S719 WeakPolarHBondContact CE-O 3.25Å; K583-S719 PolarHBondContact NZ-O 3.15Å; S719-H724 PolarHBondContact OG-NE2 2.88Å |
| 720 | A | 93 | Very high | 96.3 | Very high | 50 Ų | 50 | 24.7 Ų | 24.7 | 41% | 0.413 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -142.1 | 150.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I718 | I718-A720 WeakPolarHBondContact CD1-O 3.28Å; I718-A720 WeakPolarHBondContact CG1-O 3.21Å |
| 721 | G | 91.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 24 Ų | 24 | 63% | 0.629 | 15% | 0.151 | S | C | * | . | S | Bend | trans | 61.8 | -160.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | H732 | G721-H732 PolarHBondContact O-NE2 3.4Š|
| 722 | W | 93.8 | Very high | 96.3 | Very high | 137 Ų | 137 | 25.4 Ų | 25.4 | 52% | 0.519 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -96 | -34.6 | 170 | -177.5 | -109.4 | 0 | 0 | 0 | 111.8 | I718 H732 S734 A735 | I718-W722 VanDerWaalsContact CD1-O 3.3Å; I718-W722 WeakPolarHBondContact CD1-O 3.26Å; W722-H732 HydrophobicContact CD2-CB 4.39Å; W722-H732 AromaticContact CD2-CD2 3.82Å; W722-H732 HydrophobicContact CE3-CB 4.12Å; W722-H732 AromaticContact CE3-CD2 3.27Å; W722-H732 AromaticContact CE3-CG 3.79Å; W722-H732 AromaticContact CE3-NE2 3.93Å; W722-H732 HydrophobicContact CH2-CB 3.93Å; W722-H732 HydrophobicContact CZ2-CB 4.18Å; W722-H732 HydrophobicContact CZ3-CB 3.88Å; W722-H732 AromaticContact CZ3-CD2 3.69Å; W722-H732 AromaticContact CZ3-CG 3.72Å; W722-H732 PolarHBondContact O-CD2 3.16Å; W722-H732 PolarHBondContact O-N 3Å; W722-S734 WeakPolarHBondContact CH2-OG 3.47Å; W722-A735 HydrophobicContact CZ2-CB 4.15Å |
| 723 | M | 96.8 | Very high | 96.1 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 9% | 0.089 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 162.3 | 164.2 | -52.6 | -171.9 | -174.1 | 0 | 0 | 107 | M730 M731 A735 E753 E756 | M723-M730 CarbonylContact C-O 3.49Å; M723-M730 WeakPolarHBondContact CA-O 3.44Å; M723-M731 HydrophobicContact CB-CB 4.3Å; M723-M731 HydrophobicContact CE-CB 4.23Å; M723-M731 HydrophobicContact CE-CE 3.66Å; M723-M731 HydrophobicContact CG-CB 3.66Å; M723-M731 HydrophobicContact SD-CB 3.95Å; M723-M731 HydrophobicContact SD-CE 4.38Å; M723-A735 HydrophobicContact CE-CB 3.89Å; M723-E753 WeakPolarHBondContact CE-OE1 3.28Å; M723-E753 HydrophobicContact SD-CG 4.36Å; M723-E756 HydrophobicContact CB-CG 3.66Å; M723-E756 WeakPolarHBondContact CB-OE1 3.44Å |
| 724 | H | 96.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 29.6 Ų | 29.6 | 19% | 0.185 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 146.1 | 164.6 | 68.5 | 78.1 | 0 | 0 | 0 | 111.7 | D579 S719 I729 M730 E756 | D579-H724 IonicContact OD1-CE1 2.99Å; D579-H724 PolarHBondContact OD1-CE1 3.48Å; D579-H724 IonicContact OD1-NE2 2.86Å; D579-H724 PolarHBondContact OD1-NE2 2.95Å; D579-H724 IonicContact OD2-CE1 3.99Å; D579-H724 IonicContact OD2-NE2 3.93Å; D579-H724 PolarHBondContact OD2-NE2 3.18Å; S719-H724 PolarHBondContact OG-NE2 2.88Å; H724-I729 WeakPolarHBondContact O-CG2 3.35Å; H724-M730 PolarHBondContact N-O 3.19Å; H724-M730 WeakPolarHBondContact NE2-CB 3.36Å; H724-M730 PolarHBondContact O-N 3.2Å; H724-E756 VanDerWaalsContact CA-OE2 3.29Å; H724-E756 WeakPolarHBondContact CA-OE2 3.27Å |
| 725 | A | 95.9 | Very high | 95.8 | Very high | 29 Ų | 29 | 29.6 Ų | 29.6 | 24% | 0.24 | 19% | 0.186 | C | C | . | . | trans | -65.1 | 160.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | E756 H759 | A725-E756 WeakPolarHBondContact CA-OE2 3.42Å; A725-E756 HydrophobicContact CB-CB 4.48Å; A725-E756 PolarHBondContact N-OE2 2.83Å; A725-H759 HydrophobicContact CB-CB 3.4Å; A725-H759 VanDerWaalsContact CB-CB 3.4Å | ||
| 726 | G | 94.6 | Very high | 95.7 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 153.6 | -167.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P728 I729 N760 | G726-P728 CarbonylContact C-O 3.25Å; G726-P728 WeakPolarHBondContact CA-O 3.41Å; G726-P728 CarbonylContact O-C 3.52Å; G726-I729 PolarHBondContact O-N 3.39Å; G726-N760 PolarHBondContact O-ND2 3.04Å |
| 727 | Y | 95.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 30.3 Ų | 30.3 | 16% | 0.157 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -133.6 | 89.6 | 170.2 | -172 | -104.4 | 0 | 0 | 0 | 109 | W544 R708 K709 R711 | W544-Y727 AromaticContact CD1-CE1 3.75Å; W544-Y727 HydrophobicContact CG-CE1 4.08Å; W544-Y727 PolarHBondContact N-OH 3.45Å; R708-Y727 HydrophobicContact CG-CE2 4.16Å; K709-Y727 WeakPolarHBondContact O-CE2 3.12Å; R711-Y727 HydrophobicContact CB-CD2 4.42Å; R711-Y727 HydrophobicContact CB-CE2 4.08Å; R711-Y727 HydrophobicContact CG-CD2 4.46Å; R711-Y727 HydrophobicContact CG-CE2 3.65Å; R711-Y727 PolarHBondContact NE-OH 2.84Å |
| 728 | P | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | S | Bend | cis | -77.6 | 163.3 | 6.6 | 34 | -38 | 0 | 0 | 0 | 114.6 | W544 R711 V713 G726 M730 | W544-P728 HydrophobicContact CH2-CG 4.33Å; R711-P728 HydrophobicContact CB-CB 3.88Å; R711-P728 CarbonylContact O-C 3.57Å; R711-P728 WeakPolarHBondContact O-CA 3.44Å; V713-P728 HydrophobicContact CB-CB 4.33Å; V713-P728 HydrophobicContact CB-CG 4.23Å; V713-P728 HydrophobicContact CG2-CB 3.68Å; V713-P728 HydrophobicContact CG2-CG 3.65Å; G726-P728 CarbonylContact C-O 3.25Å; G726-P728 WeakPolarHBondContact CA-O 3.41Å; G726-P728 CarbonylContact O-C 3.52Å; P728-M730 HydrophobicContact CG-SD 3.73Å |
| 729 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 128.3 | 157 | -61.6 | 171.5 | 0 | 0 | 0 | 107.3 | R711 F712 V713 H724 G726 E756 L757 | R711-I729 WeakPolarHBondContact O-CB 3.33Å; R711-I729 PolarHBondContact O-N 3.31Å; F712-I729 CarbonylContact C-O 3.48Å; F712-I729 WeakPolarHBondContact CA-O 3.38Å; F712-I729 HydrophobicContact CD1-CB 4Å; F712-I729 HydrophobicContact CD1-CG2 3.69Å; F712-I729 HydrophobicContact CD2-CB 4.31Å; F712-I729 HydrophobicContact CD2-CD1 4.25Å; F712-I729 HydrophobicContact CE1-CB 3.97Å; F712-I729 HydrophobicContact CE1-CD1 4.38Å; F712-I729 HydrophobicContact CE1-CG2 3.32Å; F712-I729 HydrophobicContact CE2-CB 4.27Å; F712-I729 HydrophobicContact CE2-CD1 3.57Å; F712-I729 HydrophobicContact CE2-CG1 4.47Å; F712-I729 HydrophobicContact CE2-CG2 4.38Å; F712-I729 HydrophobicContact CG-CB 4.19Å; F712-I729 HydrophobicContact CG-CG2 4.38Å; F712-I729 HydrophobicContact CZ-CB 4.1Å; F712-I729 HydrophobicContact CZ-CD1 3.65Å; F712-I729 HydrophobicContact CZ-CG1 4.46Å; F712-I729 HydrophobicContact CZ-CG2 3.71Å; V713-I729 PolarHBondContact N-O 3.35Å; H724-I729 WeakPolarHBondContact O-CG2 3.35Å; G726-I729 PolarHBondContact O-N 3.39Å; I729-E756 HydrophobicContact CD1-CB 4.02Å; I729-E756 HydrophobicContact CG1-CB 4.35Å; I729-E756 HydrophobicContact CG2-CB 3.53Å; I729-E756 HydrophobicContact CG2-CG 3.85Å; I729-L757 HydrophobicContact CD1-CD2 3.7Å; I729-L757 HydrophobicContact CD1-CG 4Å |
| 730 | M | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.6 | -178.5 | -62.8 | -66.7 | -61.3 | 0 | 0 | 109.8 | Q577 S578 D579 V713 D715 I718 M723 H724 P728 | Q577-M730 HydrophobicContact CB-CE 4.39Å; S578-M730 PolarHBondContact OG-SD 3.42Å; S578-M730 VanDerWaalsContact OG-SD 3.38Å; D579-M730 HydrophobicContact CB-CE 4.43Å; V713-M730 HydrophobicContact CB-CE 4.35Å; V713-M730 HydrophobicContact CB-SD 3.77Å; V713-M730 HydrophobicContact CG1-CE 4.1Å; V713-M730 HydrophobicContact CG1-SD 4.14Å; D715-M730 HydrophobicContact CB-CE 3.65Å; I718-M730 HydrophobicContact CB-CB 4.37Å; I718-M730 HydrophobicContact CG2-CB 3.84Å; I718-M730 HydrophobicContact CG2-CE 4.15Å; M723-M730 CarbonylContact C-O 3.49Å; M723-M730 WeakPolarHBondContact CA-O 3.44Å; H724-M730 PolarHBondContact N-O 3.19Å; H724-M730 WeakPolarHBondContact NE2-CB 3.36Å; H724-M730 PolarHBondContact O-N 3.2Å; P728-M730 HydrophobicContact CG-SD 3.73Å |
| 731 | M | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 158 | 177.1 | 66.7 | -174.6 | -64.7 | 0 | 0 | 111.1 | F712 V713 A714 D715 M723 A735 L739 | F712-M731 HydrophobicContact CD1-CG 4.44Å; F712-M731 HydrophobicContact CD1-SD 3.73Å; F712-M731 HydrophobicContact CE1-SD 4.36Å; V713-M731 PolarHBondContact O-N 3.47Å; A714-M731 CarbonylContact C-O 3.53Å; A714-M731 WeakPolarHBondContact CA-O 3.45Å; A714-M731 HydrophobicContact CB-CG 3.81Å; A714-M731 HydrophobicContact CB-SD 4.21Å; D715-M731 PolarHBondContact N-O 2.84Å; M723-M731 HydrophobicContact CB-CB 4.3Å; M723-M731 HydrophobicContact CE-CB 4.23Å; M723-M731 HydrophobicContact CE-CE 3.66Å; M723-M731 HydrophobicContact CG-CB 3.66Å; M723-M731 HydrophobicContact SD-CB 3.95Å; M723-M731 HydrophobicContact SD-CE 4.38Å; M731-A735 VanDerWaalsContact CE-C 3.47Å; M731-A735 HydrophobicContact CE-CB 3.5Å; M731-A735 VanDerWaalsContact CE-CB 3.5Å; M731-A735 WeakPolarHBondContact CE-O 3.41Å; M731-L739 HydrophobicContact CE-CD1 4.46Å; M731-L739 HydrophobicContact CE-CD2 4.26Å; M731-L739 HydrophobicContact CE-CG 4.27Å; M731-L739 HydrophobicContact SD-CD1 3.73Å; M731-L739 HydrophobicContact SD-CD2 4.1Å; M731-L739 HydrophobicContact SD-CG 4.12Å |
| 732 | H | 97 | Very high | 96.1 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 14% | 0.144 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 135.9 | 171.3 | -78.4 | -86.4 | 0 | 0 | 0 | 111.3 | D715 G721 W722 S734 A735 | D715-H732 CarbonylContact O-C 3.6Å; D715-H732 WeakPolarHBondContact O-CA 3.45Å; G721-H732 PolarHBondContact O-NE2 3.4Å; W722-H732 HydrophobicContact CD2-CB 4.39Å; W722-H732 AromaticContact CD2-CD2 3.82Å; W722-H732 HydrophobicContact CE3-CB 4.12Å; W722-H732 AromaticContact CE3-CD2 3.27Å; W722-H732 AromaticContact CE3-CG 3.79Å; W722-H732 AromaticContact CE3-NE2 3.93Å; W722-H732 HydrophobicContact CH2-CB 3.93Å; W722-H732 HydrophobicContact CZ2-CB 4.18Å; W722-H732 HydrophobicContact CZ3-CB 3.88Å; W722-H732 AromaticContact CZ3-CD2 3.69Å; W722-H732 AromaticContact CZ3-CG 3.72Å; W722-H732 PolarHBondContact O-CD2 3.16Å; W722-H732 PolarHBondContact O-N 3Å; H732-S734 PolarHBondContact O-N 2.94Å; H732-S734 VanDerWaalsContact O-N 3.08Å; H732-A735 PolarHBondContact O-N 2.94Å |
| 733 | S | 95.4 | Very high | 96.1 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 22% | 0.217 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -58 | -25.6 | -179.6 | 63 | 0 | 0 | 0 | 0 | 113.8 | D715 A735 G736 | D715-S733 PolarHBondContact O-N 3.31Å; S733-A735 PolarHBondContact O-N 3.25Å; S733-G736 PolarHBondContact O-N 3.3Å |
| 734 | S | 94.4 | Very high | 96 | Very high | 59 Ų | 59 | 32 Ų | 32 | 41% | 0.413 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -65.3 | -21.5 | 174.4 | 45.3 | 0 | 0 | 0 | 0 | 114.5 | W722 H732 | W722-S734 WeakPolarHBondContact CH2-OG 3.47Å; H732-S734 PolarHBondContact O-N 2.94Å; H732-S734 VanDerWaalsContact O-N 3.08Å |
| 735 | A | 94.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -94 | -6.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W722 M723 M731 H732 S733 A737 E738 | W722-A735 HydrophobicContact CZ2-CB 4.15Å; M723-A735 HydrophobicContact CE-CB 3.89Å; M731-A735 VanDerWaalsContact CE-C 3.47Å; M731-A735 HydrophobicContact CE-CB 3.5Å; M731-A735 VanDerWaalsContact CE-CB 3.5Å; M731-A735 WeakPolarHBondContact CE-O 3.41Å; H732-A735 PolarHBondContact O-N 2.94Å; S733-A735 PolarHBondContact O-N 3.25Å; A735-A737 PolarHBondContact O-N 3.13Å; A735-A737 VanDerWaalsContact O-N 3.13Å; A735-E738 VanDerWaalsContact O-CB 3.3Å; A735-E738 WeakPolarHBondContact O-CB 3.5Å; A735-E738 WeakPolarHBondContact O-CG 3.47Å; A735-E738 PolarHBondContact O-N 3.12Å |
| 736 | G | 95.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -62.5 | -25.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S733 E738 L739 F740 | S733-G736 PolarHBondContact O-N 3.3Å; G736-E738 VanDerWaalsContact C-N 3.28Å; G736-E738 PolarHBondContact O-N 2.85Å; G736-L739 WeakPolarHBondContact O-CB 3.06Å; G736-L739 PolarHBondContact O-N 2.98Å; G736-F740 WeakPolarHBondContact O-CD2 3.27Å; G736-F740 WeakPolarHBondContact O-CE2 3.4Å |
| 737 | A | 96 | Very high | 95.7 | Very high | 53 Ų | 53 | 34.6 Ų | 34.6 | 44% | 0.438 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -68.2 | -28.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L675 A735 L739 F740 | L675-A737 HydrophobicContact CD2-CB 4.13Å; A735-A737 PolarHBondContact O-N 3.13Å; A735-A737 VanDerWaalsContact O-N 3.13Å; A737-L739 PolarHBondContact O-N 3.33Å; A737-F740 PolarHBondContact O-N 2.55Å; A737-F740 VanDerWaalsContact O-N 3.14Å |
| 738 | E | 95.2 | Very high | 95.5 | Very high | 92 Ų | 92 | 39 Ų | 39 | 43% | 0.43 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -62.5 | -29.2 | -179 | -59.7 | 177.2 | -148.9 | 0 | 0 | 111.1 | A735 G736 F740 N741 L750 | A735-E738 VanDerWaalsContact O-CB 3.3Å; A735-E738 WeakPolarHBondContact O-CB 3.5Å; A735-E738 WeakPolarHBondContact O-CG 3.47Å; A735-E738 PolarHBondContact O-N 3.12Å; G736-E738 VanDerWaalsContact C-N 3.28Å; G736-E738 PolarHBondContact O-N 2.85Å; E738-F740 PolarHBondContact O-N 2.59Å; E738-N741 PolarHBondContact O-N 2.88Å; E738-L750 HydrophobicContact CB-CD2 4.19Å |
| 739 | L | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -63.9 | -19.7 | 177.7 | -55.4 | -179.8 | 0 | 0 | 0 | 114.3 | L669 V671 W689 M731 G736 A737 E753 | L669-L739 HydrophobicContact CB-CD1 4.49Å; L669-L739 HydrophobicContact CD1-CB 4.25Å; L669-L739 HydrophobicContact CD2-CD1 4.42Å; V671-L739 HydrophobicContact CG1-CD1 4.1Å; W689-L739 HydrophobicContact CH2-CD2 3.9Å; W689-L739 HydrophobicContact CZ2-CB 4.13Å; W689-L739 HydrophobicContact CZ2-CD2 3.56Å; W689-L739 HydrophobicContact CZ2-CG 4.44Å; W689-L739 PolarHBondContact NE1-O 3.4Å; M731-L739 HydrophobicContact CE-CD1 4.46Å; M731-L739 HydrophobicContact CE-CD2 4.26Å; M731-L739 HydrophobicContact CE-CG 4.27Å; M731-L739 HydrophobicContact SD-CD1 3.73Å; M731-L739 HydrophobicContact SD-CD2 4.1Å; M731-L739 HydrophobicContact SD-CG 4.12Å; G736-L739 WeakPolarHBondContact O-CB 3.06Å; G736-L739 PolarHBondContact O-N 2.98Å; A737-L739 PolarHBondContact O-N 3.33Å; L739-E753 HydrophobicContact CD2-CG 3.62Å |
| 740 | F | 97.2 | Very high | 95.2 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -115.8 | 15.9 | -171.8 | -55.4 | -78.2 | 0 | 0 | 0 | 113.2 | M662 L669 V671 I676 L679 V685 G736 A737 E738 P742 | M662-F740 HydrophobicContact CB-CE1 4.34Å; M662-F740 HydrophobicContact CG-CD1 4.47Å; M662-F740 HydrophobicContact CG-CE1 3.58Å; M662-F740 HydrophobicContact CG-CZ 4.28Å; L669-F740 HydrophobicContact CB-CE1 4.35Å; L669-F740 HydrophobicContact CB-CZ 3.99Å; L669-F740 HydrophobicContact CD1-CE1 3.99Å; L669-F740 HydrophobicContact CD1-CZ 4.19Å; V671-F740 HydrophobicContact CB-CE2 4.24Å; V671-F740 HydrophobicContact CG1-CE2 3.65Å; V671-F740 HydrophobicContact CG1-CZ 4.02Å; V671-F740 HydrophobicContact CG2-CE2 3.64Å; V671-F740 HydrophobicContact CG2-CZ 3.83Å; I676-F740 HydrophobicContact CD1-CD1 3.77Å; I676-F740 HydrophobicContact CD1-CD2 3.91Å; I676-F740 HydrophobicContact CD1-CE1 3.62Å; I676-F740 HydrophobicContact CD1-CE2 3.72Å; I676-F740 HydrophobicContact CD1-CG 3.95Å; I676-F740 HydrophobicContact CD1-CZ 3.59Å; L679-F740 HydrophobicContact CD1-CB 4.49Å; L679-F740 HydrophobicContact CD2-CB 4.49Å; L679-F740 HydrophobicContact CD2-CD1 3.94Å; L679-F740 HydrophobicContact CD2-CG 4.48Å; V685-F740 HydrophobicContact CG1-CD1 3.93Å; V685-F740 HydrophobicContact CG2-CB 4.48Å; G736-F740 WeakPolarHBondContact O-CD2 3.27Å; G736-F740 WeakPolarHBondContact O-CE2 3.4Å; A737-F740 PolarHBondContact O-N 2.55Å; A737-F740 VanDerWaalsContact O-N 3.14Å; E738-F740 PolarHBondContact O-N 2.59Å; F740-P742 WeakPolarHBondContact O-CD 3.48Å |
| 741 | N | 95.7 | Very high | 95.1 | Very high | 57 Ų | 57 | 41.3 Ų | 41.3 | 31% | 0.305 | 22% | 0.218 | S | C | . | . | trans | -118.7 | 89.7 | 178.8 | -170.9 | -19.8 | 0 | 0 | 0 | 111.7 | E738 Q743 D744 A745 | E738-N741 PolarHBondContact O-N 2.88Å; N741-Q743 VanDerWaalsContact C-N 3.25Å; N741-Q743 PolarHBondContact O-N 3.22Å; N741-Q743 PolarHBondContact OD1-N 3.16Å; N741-D744 HydrophobicContact CB-CB 4Å; N741-D744 VanDerWaalsContact CG-CB 3.5Å; N741-D744 PolarHBondContact ND2-OD2 2.8Å; N741-D744 PolarHBondContact O-N 3.15Å; N741-D744 PolarHBondContact OD1-N 3.27Å; N741-A745 PolarHBondContact O-N 2.88Å | ||
| 742 | P | 95.6 | Very high | 95 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.3 | -32 | 179.5 | -25.3 | 34.9 | 0 | 0 | 0 | 114.6 | E684 V685 L688 F740 R746 | E684-P742 HydrophobicContact CB-CG 4.08Å; V685-P742 HydrophobicContact CG2-CG 4.04Å; L688-P742 HydrophobicContact CB-CB 4.45Å; L688-P742 HydrophobicContact CD2-CB 4.22Å; L688-P742 HydrophobicContact CD2-CG 4.3Å; F740-P742 WeakPolarHBondContact O-CD 3.48Å; P742-R746 WeakPolarHBondContact O-CG 3.32Å; P742-R746 PolarHBondContact O-N 2.85Å |
| 743 | Q | 94.1 | Very high | 95 | Very high | 124 Ų | 124 | 41.1 Ų | 41.1 | 58% | 0.579 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -70.3 | -45.1 | 178.4 | -177.9 | 61.2 | 21.2 | 0 | 0 | 111.4 | N741 A745 R746 T747 | N741-Q743 VanDerWaalsContact C-N 3.25Å; N741-Q743 PolarHBondContact O-N 3.22Å; N741-Q743 PolarHBondContact OD1-N 3.16Å; Q743-A745 VanDerWaalsContact C-N 3.35Å; Q743-R746 PolarHBondContact O-N 3.3Å; Q743-T747 WeakPolarHBondContact O-CG2 3.4Å; Q743-T747 PolarHBondContact O-N 3.32Å; Q743-T747 VanDerWaalsContact O-N 3.13Å; Q743-T747 PolarHBondContact O-OG1 2.81Å |
| 744 | D | 94 | Very high | 95.2 | Very high | 47 Ų | 47 | 39.7 Ų | 39.7 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.4 | -39.5 | 175.7 | -82.6 | -3.4 | 0 | 0 | 0 | 111.1 | N741 R746 T747 K748 G749 | N741-D744 HydrophobicContact CB-CB 4Å; N741-D744 VanDerWaalsContact CG-CB 3.5Å; N741-D744 PolarHBondContact ND2-OD2 2.8Å; N741-D744 PolarHBondContact O-N 3.15Å; N741-D744 PolarHBondContact OD1-N 3.27Å; D744-R746 PolarHBondContact O-N 3.02Å; D744-T747 WeakPolarHBondContact CA-OG1 3.49Å; D744-T747 PolarHBondContact O-N 3.32Å; D744-T747 VanDerWaalsContact O-N 3.11Å; D744-K748 HydrophobicContact CB-CD 4.13Å; D744-K748 WeakPolarHBondContact O-CA 3.37Å; D744-K748 WeakPolarHBondContact O-CB 3.29Å; D744-K748 PolarHBondContact O-N 3.45Å; D744-K748 VanDerWaalsContact OD1-CE 3.28Å; D744-K748 WeakPolarHBondContact OD1-CE 3.35Å; D744-K748 IonicContact OD1-NZ 2.73Å; D744-K748 PolarHBondContact OD1-NZ 3.2Å; D744-K748 IonicContact OD2-NZ 2.85Å; D744-K748 PolarHBondContact OD2-NZ 3.34Å; D744-G749 PolarHBondContact O-N 2.89Å |
| 745 | A | 94.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.4 | -37.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L688 N741 Q743 G749 L750 | L688-A745 HydrophobicContact CD1-CB 3.96Å; L688-A745 HydrophobicContact CD2-CB 3.85Å; N741-A745 PolarHBondContact O-N 2.88Å; Q743-A745 VanDerWaalsContact C-N 3.35Å; A745-G749 VanDerWaalsContact O-CA 3.27Å; A745-G749 WeakPolarHBondContact O-CA 3.46Å; A745-G749 PolarHBondContact O-N 2.76Å; A745-L750 HydrophobicContact CB-CD1 3.68Å; A745-L750 HydrophobicContact CB-CG 3.93Å |
| 746 | R | 94 | Very high | 95.5 | Very high | 83 Ų | 83 | 38.8 Ų | 38.8 | 31% | 0.313 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -83.8 | -15 | 179.7 | -66.5 | -177.6 | -173.1 | -67.4 | -4.7 | 114.7 | P742 Q743 D744 V788 L789 | P742-R746 WeakPolarHBondContact O-CG 3.32Å; P742-R746 PolarHBondContact O-N 2.85Å; Q743-R746 PolarHBondContact O-N 3.3Å; D744-R746 PolarHBondContact O-N 3.02Å; R746-V788 PolarHBondContact NH1-O 3.28Å; R746-L789 HydrophobicContact CG-CD2 4.47Å |
| 747 | T | 92.4 | Very high | 95.6 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -112.9 | -36.9 | -176.1 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | Q743 D744 | Q743-T747 WeakPolarHBondContact O-CG2 3.4Å; Q743-T747 PolarHBondContact O-N 3.32Å; Q743-T747 VanDerWaalsContact O-N 3.13Å; Q743-T747 PolarHBondContact O-OG1 2.81Å; D744-T747 WeakPolarHBondContact CA-OG1 3.49Å; D744-T747 PolarHBondContact O-N 3.32Å; D744-T747 VanDerWaalsContact O-N 3.11Å |
| 748 | K | 91.4 | Very high | 95.7 | Very high | 132 Ų | 132 | 36.2 Ų | 36.2 | 57% | 0.574 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -30.1 | 179.8 | -57.9 | 175.9 | -172.7 | 162.5 | 0 | 112.3 | D744 | D744-K748 HydrophobicContact CB-CD 4.13Å; D744-K748 WeakPolarHBondContact O-CA 3.37Å; D744-K748 WeakPolarHBondContact O-CB 3.29Å; D744-K748 PolarHBondContact O-N 3.45Å; D744-K748 VanDerWaalsContact OD1-CE 3.28Å; D744-K748 WeakPolarHBondContact OD1-CE 3.35Å; D744-K748 IonicContact OD1-NZ 2.73Å; D744-K748 PolarHBondContact OD1-NZ 3.2Å; D744-K748 IonicContact OD2-NZ 2.85Å; D744-K748 PolarHBondContact OD2-NZ 3.34Å |
| 749 | G | 94.1 | Very high | 95.8 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 12% | 0.124 | 17% | 0.169 | C | C | . | . | trans | 90.7 | 171.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D744 A745 H785 | D744-G749 PolarHBondContact O-N 2.89Å; A745-G749 VanDerWaalsContact O-CA 3.27Å; A745-G749 WeakPolarHBondContact O-CA 3.46Å; A745-G749 PolarHBondContact O-N 2.76Å; G749-H785 WeakPolarHBondContact CA-NE2 3.41Å | ||
| 750 | L | 95.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | trans | -130.1 | 52.4 | 177.8 | -67.8 | 173.2 | 0 | 0 | 0 | 109.3 | W689 I692 E738 A745 G752 E753 I754 H785 | W689-L750 HydrophobicContact CH2-CD1 4.41Å; W689-L750 HydrophobicContact CZ2-CD1 4.21Å; I692-L750 HydrophobicContact CD1-CD1 4.04Å; E738-L750 HydrophobicContact CB-CD2 4.19Å; A745-L750 HydrophobicContact CB-CD1 3.68Å; A745-L750 HydrophobicContact CB-CG 3.93Å; L750-G752 VanDerWaalsContact C-N 3.33Å; L750-G752 PolarHBondContact O-N 2.76Å; L750-E753 VanDerWaalsContact CA-OE2 3.25Å; L750-E753 WeakPolarHBondContact CA-OE2 3.47Å; L750-E753 HydrophobicContact CB-CB 4.3Å; L750-E753 WeakPolarHBondContact CB-OE2 3.38Å; L750-E753 HydrophobicContact CD2-CG 4.45Å; L750-E753 PolarHBondContact O-N 3.48Å; L750-I754 HydrophobicContact CB-CD1 4.08Å; L750-I754 HydrophobicContact CB-CG1 4.43Å; L750-I754 WeakPolarHBondContact O-CB 3.34Å; L750-I754 WeakPolarHBondContact O-CD1 3.34Å; L750-I754 WeakPolarHBondContact O-CG1 3.39Å; L750-I754 PolarHBondContact O-N 3.34Å; L750-I754 VanDerWaalsContact O-N 3.09Å; L750-H785 PolarHBondContact N-NE2 3.3Å | ||
| 751 | W | 96.1 | Very high | 95.7 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 13% | 0.129 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -44.7 | -171.1 | -174.9 | -80.4 | 0 | 0 | 0 | 112.4 | H755 N778 S781 V782 A796 S797 I800 W825 | W751-H755 WeakPolarHBondContact O-CB 3.39Å; W751-H755 PolarHBondContact O-N 3.24Å; W751-N778 HydrophobicContact CH2-CB 4.48Å; W751-N778 HydrophobicContact CZ2-CB 3.91Å; W751-N778 VanDerWaalsContact CZ2-OD1 3.28Å; W751-N778 WeakPolarHBondContact CZ2-OD1 3.44Å; W751-N778 PolarHBondContact NE1-OD1 3.01Å; W751-S781 PolarHBondContact O-OG 3.2Å; W751-V782 HydrophobicContact CH2-CG2 3.61Å; W751-V782 HydrophobicContact CZ3-CG2 4.01Å; W751-A796 HydrophobicContact CE3-CB 4.1Å; W751-A796 HydrophobicContact CZ3-CB 4.38Å; W751-S797 VanDerWaalsContact CE3-CB 3.5Å; W751-I800 HydrophobicContact CE3-CD1 4.47Å; W751-I800 HydrophobicContact CH2-CD1 3.48Å; W751-I800 VanDerWaalsContact CH2-CD1 3.48Å; W751-I800 HydrophobicContact CH2-CG1 4.46Å; W751-I800 HydrophobicContact CH2-CG2 4.4Å; W751-I800 HydrophobicContact CZ3-CD1 3.4Å; W751-I800 VanDerWaalsContact CZ3-CD1 3.4Å; W751-I800 HydrophobicContact CZ3-CG1 4.46Å; W751-W825 HydrophobicContact CZ2-CH2 4.07Å; W751-W825 AromaticContact CZ2-CZ3 3.8Å; W751-W825 HydrophobicContact CZ2-CZ3 3.8Å; W751-W825 AromaticContact NE1-CH2 3.92Å |
| 752 | G | 95.3 | Very high | 95.7 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 26% | 0.258 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.7 | -46.5 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L750 I754 H755 E756 | L750-G752 VanDerWaalsContact C-N 3.33Å; L750-G752 PolarHBondContact O-N 2.76Å; G752-I754 PolarHBondContact O-N 2.92Å; G752-H755 WeakPolarHBondContact O-CB 3.4Å; G752-H755 PolarHBondContact O-N 3.38Å; G752-E756 WeakPolarHBondContact O-CG 3.29Å; G752-E756 PolarHBondContact O-N 3.14Å |
| 753 | E | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | -179.8 | -62.2 | 74.4 | -170.6 | 0 | 0 | 111.2 | W689 F712 M723 L739 L750 H755 E756 L757 | W689-E753 HydrophobicContact CH2-CB 4.28Å; F712-E753 HydrophobicContact CE1-CB 4.21Å; F712-E753 HydrophobicContact CE1-CG 4.29Å; F712-E753 HydrophobicContact CZ-CB 4.02Å; M723-E753 WeakPolarHBondContact CE-OE1 3.28Å; M723-E753 HydrophobicContact SD-CG 4.36Å; L739-E753 HydrophobicContact CD2-CG 3.62Å; L750-E753 VanDerWaalsContact CA-OE2 3.25Å; L750-E753 WeakPolarHBondContact CA-OE2 3.47Å; L750-E753 HydrophobicContact CB-CB 4.3Å; L750-E753 WeakPolarHBondContact CB-OE2 3.38Å; L750-E753 HydrophobicContact CD2-CG 4.45Å; L750-E753 PolarHBondContact O-N 3.48Å; E753-H755 VanDerWaalsContact C-N 3.33Å; E753-E756 PolarHBondContact O-N 3.08Å; E753-L757 PolarHBondContact O-N 2.94Å; E753-L757 VanDerWaalsContact O-N 3.14Å |
| 754 | I | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.4 | -31 | 179.5 | -61.7 | 161.5 | 0 | 0 | 0 | 110.9 | I692 L750 G752 L757 G758 W780 V784 H785 L789 | I692-I754 HydrophobicContact CG2-CG1 4.45Å; L750-I754 HydrophobicContact CB-CD1 4.08Å; L750-I754 HydrophobicContact CB-CG1 4.43Å; L750-I754 WeakPolarHBondContact O-CB 3.34Å; L750-I754 WeakPolarHBondContact O-CD1 3.34Å; L750-I754 WeakPolarHBondContact O-CG1 3.39Å; L750-I754 PolarHBondContact O-N 3.34Å; L750-I754 VanDerWaalsContact O-N 3.09Å; G752-I754 PolarHBondContact O-N 2.92Å; I754-L757 PolarHBondContact O-N 3.28Å; I754-G758 PolarHBondContact O-N 3.2Å; I754-W780 HydrophobicContact CG2-CB 4.26Å; I754-W780 WeakPolarHBondContact CG2-O 3.42Å; I754-V784 HydrophobicContact CD1-CB 3.96Å; I754-V784 HydrophobicContact CD1-CG1 3.47Å; I754-V784 VanDerWaalsContact CD1-CG1 3.47Å; I754-V784 HydrophobicContact CG1-CG1 4.22Å; I754-V784 HydrophobicContact CG2-CB 3.99Å; I754-V784 HydrophobicContact CG2-CG1 4.5Å; I754-V784 HydrophobicContact CG2-CG2 3.98Å; I754-H785 WeakPolarHBondContact CD1-CE1 3.47Å; I754-L789 HydrophobicContact CD1-CD1 4.2Å |
| 755 | H | 97.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 10% | 0.102 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.5 | -45.6 | 173.7 | 171.7 | 101.6 | 0 | 0 | 0 | 111.3 | W751 G752 E753 L757 G758 H759 E774 C777 N778 S781 | W751-H755 WeakPolarHBondContact O-CB 3.39Å; W751-H755 PolarHBondContact O-N 3.24Å; G752-H755 WeakPolarHBondContact O-CB 3.4Å; G752-H755 PolarHBondContact O-N 3.38Å; E753-H755 VanDerWaalsContact C-N 3.33Å; H755-L757 PolarHBondContact O-N 3.25Å; H755-G758 WeakPolarHBondContact O-CA 3.28Å; H755-G758 PolarHBondContact O-N 3.4Å; H755-G758 VanDerWaalsContact O-N 3.12Å; H755-H759 AromaticContact CD2-CD2 3.71Å; H755-H759 AromaticContact CD2-NE2 3.63Å; H755-H759 AromaticContact CE1-NE2 3.82Å; H755-H759 AromaticContact NE2-CD2 3.69Å; H755-H759 AromaticContact NE2-NE2 3.09Å; H755-H759 PolarHBondContact NE2-NE2 3.47Å; H755-H759 PolarHBondContact O-N 2.81Å; H755-E774 IonicContact CE1-OE2 3.06Å; H755-E774 PolarHBondContact CE1-OE2 3.35Å; H755-E774 IonicContact NE2-OE2 2.8Å; H755-E774 PolarHBondContact NE2-OE2 3Å; H755-C777 PolarHBondContact CE1-SG 3.23Å; H755-N778 PolarHBondContact ND1-OD1 2.85Å; H755-S781 VanDerWaalsContact CA-OG 3.26Å; H755-S781 WeakPolarHBondContact CA-OG 3.13Å; H755-S781 PolarHBondContact N-OG 3Å; H755-S781 VanDerWaalsContact N-OG 3.16Å |
| 756 | E | 98.2 | Very high | 95.4 | Very high | 18 Ų | 18 | 34 Ų | 34 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.6 | -36.5 | 176 | -57.4 | -49.8 | 156.5 | 0 | 0 | 112.9 | M723 H724 A725 I729 G752 E753 G758 H759 N760 | M723-E756 HydrophobicContact CB-CG 3.66Å; M723-E756 WeakPolarHBondContact CB-OE1 3.44Å; H724-E756 VanDerWaalsContact CA-OE2 3.29Å; H724-E756 WeakPolarHBondContact CA-OE2 3.27Å; A725-E756 WeakPolarHBondContact CA-OE2 3.42Å; A725-E756 HydrophobicContact CB-CB 4.48Å; A725-E756 PolarHBondContact N-OE2 2.83Å; I729-E756 HydrophobicContact CD1-CB 4.02Å; I729-E756 HydrophobicContact CG1-CB 4.35Å; I729-E756 HydrophobicContact CG2-CB 3.53Å; I729-E756 HydrophobicContact CG2-CG 3.85Å; G752-E756 WeakPolarHBondContact O-CG 3.29Å; G752-E756 PolarHBondContact O-N 3.14Å; E753-E756 PolarHBondContact O-N 3.08Å; E756-G758 VanDerWaalsContact C-N 3.28Å; E756-G758 PolarHBondContact O-N 2.79Å; E756-H759 WeakPolarHBondContact O-CB 3.45Å; E756-H759 PolarHBondContact O-N 2.9Å; E756-H759 IonicContact OE2-CD2 3.15Å; E756-H759 PolarHBondContact OE2-CD2 3.13Å; E756-N760 PolarHBondContact O-N 2.86Å |
| 757 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 171 | -73.5 | 168.9 | 0 | 0 | 0 | 111.6 | I667 W689 M693 V696 E710 F712 I729 E753 I754 H755 N760 Q761 | I667-L757 HydrophobicContact CD1-CD1 4.46Å; I667-L757 HydrophobicContact CD1-CD2 4.35Å; W689-L757 HydrophobicContact CZ3-CD1 4.24Å; M693-L757 HydrophobicContact CE-CD2 4.43Å; M693-L757 HydrophobicContact SD-CD1 3.96Å; M693-L757 HydrophobicContact SD-CD2 4.11Å; V696-L757 HydrophobicContact CG2-CD1 4.49Å; E710-L757 HydrophobicContact CB-CD2 3.98Å; E710-L757 HydrophobicContact CG-CD2 3.88Å; F712-L757 HydrophobicContact CE2-CD1 4.27Å; F712-L757 HydrophobicContact CE2-CD2 4.1Å; F712-L757 HydrophobicContact CE2-CG 4.01Å; F712-L757 HydrophobicContact CZ-CG 4.27Å; I729-L757 HydrophobicContact CD1-CD2 3.7Å; I729-L757 HydrophobicContact CD1-CG 4Å; E753-L757 PolarHBondContact O-N 2.94Å; E753-L757 VanDerWaalsContact O-N 3.14Å; I754-L757 PolarHBondContact O-N 3.28Å; H755-L757 PolarHBondContact O-N 3.25Å; L757-N760 WeakPolarHBondContact O-CB 3.24Å; L757-N760 PolarHBondContact O-N 2.94Å; L757-Q761 PolarHBondContact O-N 2.86Å |
| 758 | G | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I754 H755 E756 N760 Q761 Q762 | I754-G758 PolarHBondContact O-N 3.2Å; H755-G758 WeakPolarHBondContact O-CA 3.28Å; H755-G758 PolarHBondContact O-N 3.4Å; H755-G758 VanDerWaalsContact O-N 3.12Å; E756-G758 VanDerWaalsContact C-N 3.28Å; E756-G758 PolarHBondContact O-N 2.79Å; G758-N760 VanDerWaalsContact C-N 3.29Å; G758-N760 PolarHBondContact O-N 3.34Å; G758-Q761 PolarHBondContact O-N 2.9Å; G758-Q762 PolarHBondContact O-N 3.18Å |
| 759 | H | 97.6 | Very high | 95.5 | Very high | 33 Ų | 33 | 25.4 Ų | 25.4 | 15% | 0.153 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58 | -40.6 | 172 | -79.9 | -60.8 | 0 | 0 | 0 | 112.4 | A725 H755 E756 Q761 Q762 G773 E774 C777 | A725-H759 HydrophobicContact CB-CB 3.4Å; A725-H759 VanDerWaalsContact CB-CB 3.4Å; H755-H759 AromaticContact CD2-CD2 3.71Å; H755-H759 AromaticContact CD2-NE2 3.63Å; H755-H759 AromaticContact CE1-NE2 3.82Å; H755-H759 AromaticContact NE2-CD2 3.69Å; H755-H759 AromaticContact NE2-NE2 3.09Å; H755-H759 PolarHBondContact NE2-NE2 3.47Å; H755-H759 PolarHBondContact O-N 2.81Å; E756-H759 WeakPolarHBondContact O-CB 3.45Å; E756-H759 PolarHBondContact O-N 2.9Å; E756-H759 IonicContact OE2-CD2 3.15Å; E756-H759 PolarHBondContact OE2-CD2 3.13Å; H759-Q761 PolarHBondContact O-N 3.33Å; H759-Q762 PolarHBondContact ND1-OE1 3.09Å; H759-Q762 PolarHBondContact O-N 2.75Å; H759-G773 PolarHBondContact CE1-O 2.71Å; H759-G773 PolarHBondContact ND1-O 2.85Å; H759-E774 IonicContact CE1-OE1 2.84Å; H759-E774 IonicContact CE1-OE2 3.42Å; H759-E774 IonicContact NE2-OE1 3.42Å; H759-E774 IonicContact NE2-OE2 2.7Å; H759-C777 HydrophobicContact CB-CB 4.47Å; H759-C777 VanDerWaalsContact CE1-SG 3.52Å |
| 760 | N | 96.2 | Very high | 95.3 | Very high | 38 Ų | 38 | 30 Ų | 30 | 20% | 0.203 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.1 | -16.6 | 176.2 | -75.6 | -0.6 | 0 | 0 | 0 | 113.2 | E710 G726 E756 L757 G758 R763 | E710-N760 PolarHBondContact OE2-ND2 2.77Å; G726-N760 PolarHBondContact O-ND2 3.04Å; E756-N760 PolarHBondContact O-N 2.86Å; L757-N760 WeakPolarHBondContact O-CB 3.24Å; L757-N760 PolarHBondContact O-N 2.94Å; G758-N760 VanDerWaalsContact C-N 3.29Å; G758-N760 PolarHBondContact O-N 3.34Å; N760-R763 PolarHBondContact O-NH1 2.66Å |
| 761 | Q | 96.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -95.7 | -11.2 | 175.9 | -54.4 | -41.1 | -50.2 | 0 | 0 | 114.7 | V696 A700 L757 G758 H759 W780 | V696-Q761 HydrophobicContact CG1-CG 3.75Å; A700-Q761 HydrophobicContact CB-CB 4.4Å; A700-Q761 HydrophobicContact CB-CG 4.27Å; L757-Q761 PolarHBondContact O-N 2.86Å; G758-Q761 PolarHBondContact O-N 2.9Å; H759-Q761 PolarHBondContact O-N 3.33Å; Q761-W780 HydrophobicContact CB-CD2 4.02Å; Q761-W780 VanDerWaalsContact CB-CE2 3.41Å; Q761-W780 HydrophobicContact CB-CE3 4.38Å; Q761-W780 HydrophobicContact CB-CH2 3.7Å; Q761-W780 HydrophobicContact CB-CZ2 3.25Å; Q761-W780 HydrophobicContact CB-CZ3 4.23Å; Q761-W780 HydrophobicContact CG-CD2 4.33Å; Q761-W780 HydrophobicContact CG-CZ2 4.03Å |
| 762 | Q | 95.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 28.8 Ų | 28.8 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | trans | -60.1 | 147.3 | 175.1 | -71.8 | 174.9 | -49.5 | 0 | 0 | 111.3 | G758 H759 E767 T772 G773 T776 C777 | G758-Q762 PolarHBondContact O-N 3.18Å; H759-Q762 PolarHBondContact ND1-OE1 3.09Å; H759-Q762 PolarHBondContact O-N 2.75Å; Q762-E767 HydrophobicContact CB-CG 4.14Å; Q762-E767 PolarHBondContact NE2-OE2 2.89Å; Q762-T772 PolarHBondContact NE2-O 3.19Å; Q762-G773 PolarHBondContact NE2-O 2.91Å; Q762-G773 PolarHBondContact OE1-O 3.39Å; Q762-T776 PolarHBondContact NE2-OG1 3.18Å; Q762-C777 HydrophobicContact CG-CB 4.49Å | ||
| 763 | R | 93.4 | Very high | 94.9 | Very high | 88 Ų | 88 | 28.8 Ų | 28.8 | 33% | 0.332 | 17% | 0.166 | S | C | . | . | trans | -134.9 | 131.7 | -179.7 | -58.9 | -72 | -176.6 | -104.8 | -2.7 | 110.6 | N760 P765 W766 E767 | N760-R763 PolarHBondContact O-NH1 2.66Å; R763-P765 VanDerWaalsContact C-N 3.29Å; R763-P765 WeakPolarHBondContact O-CD 3.39Å; R763-W766 HydrophobicContact CB-CD2 3.99Å; R763-W766 HydrophobicContact CB-CE3 4.13Å; R763-W766 HydrophobicContact CB-CH2 3.79Å; R763-W766 HydrophobicContact CB-CZ2 3.56Å; R763-W766 HydrophobicContact CB-CZ3 4.04Å; R763-W766 HydrophobicContact CG-CH2 3.43Å; R763-W766 VanDerWaalsContact CG-CH2 3.43Å; R763-W766 HydrophobicContact CG-CZ2 3.36Å; R763-W766 HydrophobicContact CG-CZ3 4.07Å; R763-W766 PolarHBondContact O-N 3.27Å; R763-E767 VanDerWaalsContact O-CG 3.27Å; R763-E767 WeakPolarHBondContact O-CG 3.12Å; R763-E767 PolarHBondContact O-N 3.3Å | ||
| 764 | S | 92.7 | Very high | 94.8 | Very high | 78 Ų | 78 | 33 Ų | 33 | 55% | 0.545 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -45.8 | -39.7 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 115.7 | W766 E767 K863 | S764-W766 VanDerWaalsContact C-N 3.26Å; S764-W766 PolarHBondContact O-N 2.8Å; S764-E767 PolarHBondContact O-N 2.98Å; S764-K863 PolarHBondContact O-NZ 3.44Å; S764-K863 PolarHBondContact OG-NZ 3.35Å |
| 765 | P | 92.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 33 Ų | 33 | 16% | 0.156 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -59.3 | -30 | -177.2 | -26.7 | 36.7 | 0 | 0 | 0 | 115.3 | R763 Y850 | R763-P765 VanDerWaalsContact C-N 3.29Å; R763-P765 WeakPolarHBondContact O-CD 3.39Å; P765-Y850 HydrophobicContact CB-CD1 3.78Å; P765-Y850 HydrophobicContact CB-CE1 4.05Å |
| 766 | W | 92.4 | Very high | 94.7 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 3% | 0.034 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -115.3 | 9.2 | -177.9 | 63.6 | 64.4 | 0 | 0 | 0 | 113.9 | R763 S764 F768 F847 Y850 Y867 | R763-W766 HydrophobicContact CB-CD2 3.99Å; R763-W766 HydrophobicContact CB-CE3 4.13Å; R763-W766 HydrophobicContact CB-CH2 3.79Å; R763-W766 HydrophobicContact CB-CZ2 3.56Å; R763-W766 HydrophobicContact CB-CZ3 4.04Å; R763-W766 HydrophobicContact CG-CH2 3.43Å; R763-W766 VanDerWaalsContact CG-CH2 3.43Å; R763-W766 HydrophobicContact CG-CZ2 3.36Å; R763-W766 HydrophobicContact CG-CZ3 4.07Å; R763-W766 PolarHBondContact O-N 3.27Å; S764-W766 VanDerWaalsContact C-N 3.26Å; S764-W766 PolarHBondContact O-N 2.8Å; W766-F768 WeakPolarHBondContact O-CE1 3.49Å; W766-F768 VanDerWaalsContact O-CZ 3.3Å; W766-F768 WeakPolarHBondContact O-CZ 3.43Å; W766-F847 HydrophobicContact CD2-CD1 4.24Å; W766-F847 HydrophobicContact CD2-CE1 4.44Å; W766-F847 HydrophobicContact CE3-CD1 4.34Å; W766-F847 HydrophobicContact CH2-CB 4.19Å; W766-F847 AromaticContact CH2-CD1 3.97Å; W766-F847 HydrophobicContact CH2-CD1 3.97Å; W766-F847 HydrophobicContact CH2-CG 4.28Å; W766-F847 AromaticContact CZ2-CD1 3.9Å; W766-F847 HydrophobicContact CZ2-CD1 3.9Å; W766-F847 HydrophobicContact CZ2-CE1 4.24Å; W766-F847 HydrophobicContact CZ2-CG 4.41Å; W766-F847 HydrophobicContact CZ3-CD1 4.22Å; W766-Y850 HydrophobicContact CB-CD2 4.46Å; W766-Y850 HydrophobicContact CB-CE1 4.27Å; W766-Y850 HydrophobicContact CB-CE2 4.07Å; W766-Y850 HydrophobicContact CD2-CD2 4.5Å; W766-Y850 AromaticContact CE3-CD1 4Å; W766-Y850 HydrophobicContact CE3-CD1 4Å; W766-Y850 AromaticContact CE3-CD2 3.64Å; W766-Y850 HydrophobicContact CE3-CD2 3.64Å; W766-Y850 HydrophobicContact CE3-CE2 4.39Å; W766-Y850 AromaticContact CE3-CG 3.42Å; W766-Y850 HydrophobicContact CE3-CG 3.42Å; W766-Y850 VanDerWaalsContact CE3-CG 3.42Å; W766-Y850 HydrophobicContact CZ3-CD2 4.28Å; W766-Y850 AromaticContact CZ3-CG 3.94Å; W766-Y850 HydrophobicContact CZ3-CG 3.94Å; W766-Y867 HydrophobicContact CB-CD2 4.04Å; W766-Y867 HydrophobicContact CB-CE2 4.31Å |
| 767 | E | 95 | Very high | 94.7 | Very high | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | trans | -100 | 139.1 | 177.1 | -69.4 | -62.3 | 134.8 | 0 | 0 | 111.3 | Q762 R763 S764 P769 T772 T776 | Q762-E767 HydrophobicContact CB-CG 4.14Å; Q762-E767 PolarHBondContact NE2-OE2 2.89Å; R763-E767 VanDerWaalsContact O-CG 3.27Å; R763-E767 WeakPolarHBondContact O-CG 3.12Å; R763-E767 PolarHBondContact O-N 3.3Å; S764-E767 PolarHBondContact O-N 2.98Å; E767-P769 VanDerWaalsContact C-CD 3.49Å; E767-P769 WeakPolarHBondContact O-CD 3.22Å; E767-T772 WeakPolarHBondContact OE2-CB 3Å; E767-T772 PolarHBondContact OE2-OG1 3.26Å; E767-T776 WeakPolarHBondContact OE1-CB 3.36Å; E767-T776 PolarHBondContact OE1-OG1 2.92Å; E767-T776 PolarHBondContact OE2-OG1 3.38Å; E767-T776 VanDerWaalsContact OE2-OG1 3.12Å | ||
| 768 | F | 93.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | trans | -124.5 | 69.1 | -177.9 | -30.2 | -53.4 | 0 | 0 | 0 | 111.6 | W766 H771 T772 W822 K860 K863 M864 Y867 W888 | W766-F768 WeakPolarHBondContact O-CE1 3.49Å; W766-F768 VanDerWaalsContact O-CZ 3.3Å; W766-F768 WeakPolarHBondContact O-CZ 3.43Å; F768-H771 WeakPolarHBondContact O-CB 3.39Å; F768-H771 PolarHBondContact O-CD2 2.72Å; F768-H771 PolarHBondContact O-N 2.79Å; F768-T772 HydrophobicContact CB-CG2 3.97Å; F768-T772 HydrophobicContact CD2-CG2 3.38Å; F768-T772 HydrophobicContact CE2-CG2 4.07Å; F768-T772 HydrophobicContact CG-CG2 3.94Å; F768-T772 PolarHBondContact N-OG1 2.7Å; F768-W822 HydrophobicContact CD2-CH2 4.41Å; F768-W822 HydrophobicContact CD2-CZ3 4.35Å; F768-K860 HydrophobicContact CB-CG 3.95Å; F768-K863 HydrophobicContact CD1-CB 3.74Å; F768-K863 HydrophobicContact CD1-CD 4.45Å; F768-K863 HydrophobicContact CE1-CB 3.65Å; F768-M864 HydrophobicContact CB-CG 4.45Å; F768-M864 HydrophobicContact CD1-CG 3.99Å; F768-M864 HydrophobicContact CD2-CG 3.84Å; F768-M864 HydrophobicContact CE1-CG 4.25Å; F768-M864 HydrophobicContact CE2-CG 4.09Å; F768-M864 HydrophobicContact CG-CG 3.81Å; F768-M864 HydrophobicContact CZ-CG 4.3Å; F768-Y867 HydrophobicContact CZ-CD2 4.26Å; F768-Y867 HydrophobicContact CZ-CG 4.02Å; F768-W888 HydrophobicContact CD2-CH2 4.4Å; F768-W888 AromaticContact CE2-CH2 3.55Å; F768-W888 HydrophobicContact CE2-CH2 3.55Å; F768-W888 HydrophobicContact CE2-CZ2 4.06Å; F768-W888 HydrophobicContact CE2-CZ3 4.16Å; F768-W888 HydrophobicContact CZ-CH2 4.24Å | ||
| 769 | P | 90.5 | Very high | 94.7 | Very high | 89 Ų | 89 | 31.4 Ų | 31.4 | 58% | 0.578 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 144.5 | 178.5 | -25.7 | 35 | 0 | 0 | 0 | 113.3 | E767 | E767-P769 VanDerWaalsContact C-CD 3.49Å; E767-P769 WeakPolarHBondContact O-CD 3.22Å |
| 770 | P | 90.9 | Very high | 94.8 | Very high | 107 Ų | 107 | 29.9 Ų | 29.9 | 70% | 0.695 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -86.2 | 6 | 2.5 | 36.5 | -36.8 | 0 | 0 | 0 | 114.5 | ||
| 771 | H | 92.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 28 Ų | 28 | 6% | 0.06 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -44.2 | -166 | -55.9 | -77.7 | 0 | 0 | 0 | 114 | F768 L819 W822 K860 | F768-H771 WeakPolarHBondContact O-CB 3.39Å; F768-H771 PolarHBondContact O-CD2 2.72Å; F768-H771 PolarHBondContact O-N 2.79Å; H771-L819 PolarHBondContact CE1-O 3.12Å; H771-L819 PolarHBondContact ND1-O 3.02Å; H771-W822 HydrophobicContact CB-CE3 3.38Å; H771-W822 HydrophobicContact CB-CZ3 3.41Å; H771-W822 VanDerWaalsContact CB-CZ3 3.41Å; H771-W822 WeakPolarHBondContact CB-O 3.49Å; H771-W822 AromaticContact CG-CE3 3.81Å; H771-W822 PolarHBondContact ND1-O 3.42Å; H771-K860 PolarHBondContact NE2-NZ 3.07Å |
| 772 | T | 93.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -88.9 | -18.2 | -170.6 | 57.1 | 0 | 0 | 0 | 0 | 114 | Q762 E767 F768 E774 A775 T776 W822 | Q762-T772 PolarHBondContact NE2-O 3.19Å; E767-T772 WeakPolarHBondContact OE2-CB 3Å; E767-T772 PolarHBondContact OE2-OG1 3.26Å; F768-T772 HydrophobicContact CB-CG2 3.97Å; F768-T772 HydrophobicContact CD2-CG2 3.38Å; F768-T772 HydrophobicContact CE2-CG2 4.07Å; F768-T772 HydrophobicContact CG-CG2 3.94Å; F768-T772 PolarHBondContact N-OG1 2.7Å; T772-E774 VanDerWaalsContact C-N 3.29Å; T772-E774 PolarHBondContact O-N 3.37Å; T772-E774 VanDerWaalsContact O-N 3.17Å; T772-A775 PolarHBondContact O-N 3.45Å; T772-T776 HydrophobicContact CG2-CG2 4.14Å; T772-T776 PolarHBondContact O-N 3.47Å; T772-T776 PolarHBondContact O-OG1 3.17Å; T772-T776 VanDerWaalsContact O-OG1 3.13Å; T772-W822 HydrophobicContact CG2-CH2 3.87Å; T772-W822 HydrophobicContact CG2-CZ3 3.93Å |
| 773 | G | 92.1 | Very high | 95.1 | Very high | 25 Ų | 25 | 26.5 Ų | 26.5 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -48.3 | -172 | 0 | 0 | 0 | 0 | 0 | 112.8 | H759 Q762 | H759-G773 PolarHBondContact CE1-O 2.71Å; H759-G773 PolarHBondContact ND1-O 2.85Å; Q762-G773 PolarHBondContact NE2-O 2.91Å; Q762-G773 PolarHBondContact OE1-O 3.39Å |
| 774 | E | 95.6 | Very high | 95.3 | Very high | 92 Ų | 92 | 22.3 Ų | 22.3 | 43% | 0.43 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 9.3 | 179.2 | -66 | -64.6 | 156.2 | 0 | 0 | 113.3 | H755 H759 T772 N778 V824 | H755-E774 IonicContact CE1-OE2 3.06Å; H755-E774 PolarHBondContact CE1-OE2 3.35Å; H755-E774 IonicContact NE2-OE2 2.8Å; H755-E774 PolarHBondContact NE2-OE2 3Å; H759-E774 IonicContact CE1-OE1 2.84Å; H759-E774 IonicContact CE1-OE2 3.42Å; H759-E774 IonicContact NE2-OE1 3.42Å; H759-E774 IonicContact NE2-OE2 2.7Å; T772-E774 VanDerWaalsContact C-N 3.29Å; T772-E774 PolarHBondContact O-N 3.37Å; T772-E774 VanDerWaalsContact O-N 3.17Å; E774-N778 PolarHBondContact O-ND2 3.47Å; E774-V824 HydrophobicContact CB-CB 4.4Å; E774-V824 HydrophobicContact CB-CG1 4.1Å; E774-V824 HydrophobicContact CB-CG2 3.93Å |
| 775 | A | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -59.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T772 C777 N778 V824 A827 | T772-A775 PolarHBondContact O-N 3.45Å; A775-C777 VanDerWaalsContact C-N 3.33Å; A775-C777 PolarHBondContact O-N 2.91Å; A775-N778 WeakPolarHBondContact O-CB 3.42Å; A775-N778 PolarHBondContact O-N 3.1Å; A775-N778 VanDerWaalsContact O-N 3.13Å; A775-V824 VanDerWaalsContact CB-O 3.24Å; A775-V824 WeakPolarHBondContact CB-O 3.48Å; A775-A827 HydrophobicContact CB-CB 3.58Å |
| 776 | T | 97.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 19.6 Ų | 19.6 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -27.3 | -173 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | Q762 E767 T772 N778 L779 Y831 | Q762-T776 PolarHBondContact NE2-OG1 3.18Å; E767-T776 WeakPolarHBondContact OE1-CB 3.36Å; E767-T776 PolarHBondContact OE1-OG1 2.92Å; E767-T776 PolarHBondContact OE2-OG1 3.38Å; E767-T776 VanDerWaalsContact OE2-OG1 3.12Å; T772-T776 HydrophobicContact CG2-CG2 4.14Å; T772-T776 PolarHBondContact O-N 3.47Å; T772-T776 PolarHBondContact O-OG1 3.17Å; T772-T776 VanDerWaalsContact O-OG1 3.13Å; T776-N778 PolarHBondContact O-N 2.64Å; T776-L779 VanDerWaalsContact O-CB 3.27Å; T776-L779 WeakPolarHBondContact O-CB 3.36Å; T776-L779 WeakPolarHBondContact O-CG 3.48Å; T776-L779 PolarHBondContact O-N 2.81Å; T776-Y831 HydrophobicContact CG2-CD2 4.48Å; T776-Y831 HydrophobicContact CG2-CE1 4.22Å; T776-Y831 HydrophobicContact CG2-CE2 3.82Å |
| 777 | C | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.4 | 170.7 | 57 | 0 | 0 | 0 | 0 | 112.1 | H755 H759 Q762 A775 L779 W780 | H755-C777 PolarHBondContact CE1-SG 3.23Å; H759-C777 HydrophobicContact CB-CB 4.47Å; H759-C777 VanDerWaalsContact CE1-SG 3.52Å; Q762-C777 HydrophobicContact CG-CB 4.49Å; A775-C777 VanDerWaalsContact C-N 3.33Å; A775-C777 PolarHBondContact O-N 2.91Å; C777-L779 PolarHBondContact O-N 3.29Å; C777-W780 PolarHBondContact O-N 2.93Å |
| 778 | N | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70 | -10.7 | 178.3 | -66.3 | -65.5 | 0 | 0 | 0 | 113.8 | W751 H755 E774 A775 T776 W780 S781 V782 L828 | W751-N778 HydrophobicContact CH2-CB 4.48Å; W751-N778 HydrophobicContact CZ2-CB 3.91Å; W751-N778 VanDerWaalsContact CZ2-OD1 3.28Å; W751-N778 WeakPolarHBondContact CZ2-OD1 3.44Å; W751-N778 PolarHBondContact NE1-OD1 3.01Å; H755-N778 PolarHBondContact ND1-OD1 2.85Å; E774-N778 PolarHBondContact O-ND2 3.47Å; A775-N778 WeakPolarHBondContact O-CB 3.42Å; A775-N778 PolarHBondContact O-N 3.1Å; A775-N778 VanDerWaalsContact O-N 3.13Å; T776-N778 PolarHBondContact O-N 2.64Å; N778-W780 PolarHBondContact O-N 3.44Å; N778-S781 WeakPolarHBondContact O-CB 3.5Å; N778-S781 PolarHBondContact O-N 3.23Å; N778-V782 WeakPolarHBondContact O-CG2 3.45Å; N778-V782 PolarHBondContact O-N 3.27Å; N778-L828 HydrophobicContact CB-CD1 3.97Å; N778-L828 HydrophobicContact CB-CD2 3.55Å; N778-L828 HydrophobicContact CB-CG 4.34Å |
| 779 | L | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 171.7 | -66.5 | 173.5 | 0 | 0 | 0 | 110.8 | L699 T776 C777 V782 Y783 L828 W840 F843 F847 | L699-L779 HydrophobicContact CD2-CB 4.29Å; T776-L779 VanDerWaalsContact O-CB 3.27Å; T776-L779 WeakPolarHBondContact O-CB 3.36Å; T776-L779 WeakPolarHBondContact O-CG 3.48Å; T776-L779 PolarHBondContact O-N 2.81Å; C777-L779 PolarHBondContact O-N 3.29Å; L779-V782 PolarHBondContact O-N 3.27Å; L779-Y783 VanDerWaalsContact O-CB 3.23Å; L779-Y783 WeakPolarHBondContact O-CB 3.35Å; L779-Y783 PolarHBondContact O-N 3.44Å; L779-L828 HydrophobicContact CD2-CD1 3.96Å; L779-L828 HydrophobicContact CG-CD1 4.39Å; L779-W840 HydrophobicContact CB-CZ3 4.44Å; L779-W840 HydrophobicContact CD2-CH2 4.43Å; L779-W840 HydrophobicContact CD2-CZ3 4.33Å; L779-W840 WeakPolarHBondContact O-CH2 3.48Å; L779-F843 HydrophobicContact CD1-CD1 4.05Å; L779-F843 HydrophobicContact CD1-CE1 3.77Å; L779-F843 HydrophobicContact CD2-CE1 4.15Å; L779-F847 HydrophobicContact CD1-CZ 4.14Å |
| 780 | W | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 172.8 | -76.9 | -91.9 | 0 | 0 | 0 | 111.8 | V696 L699 A700 I754 Q761 C777 N778 V782 Y783 V784 F847 | V696-W780 PolarHBondContact O-NE1 3.43Å; L699-W780 HydrophobicContact CD2-CB 4.49Å; L699-W780 HydrophobicContact CD2-CD2 3.9Å; L699-W780 HydrophobicContact CD2-CG 3.89Å; A700-W780 HydrophobicContact CB-CZ2 3.99Å; I754-W780 HydrophobicContact CG2-CB 4.26Å; I754-W780 WeakPolarHBondContact CG2-O 3.42Å; Q761-W780 HydrophobicContact CB-CD2 4.02Å; Q761-W780 VanDerWaalsContact CB-CE2 3.41Å; Q761-W780 HydrophobicContact CB-CE3 4.38Å; Q761-W780 HydrophobicContact CB-CH2 3.7Å; Q761-W780 HydrophobicContact CB-CZ2 3.25Å; Q761-W780 HydrophobicContact CB-CZ3 4.23Å; Q761-W780 HydrophobicContact CG-CD2 4.33Å; Q761-W780 HydrophobicContact CG-CZ2 4.03Å; C777-W780 PolarHBondContact O-N 2.93Å; N778-W780 PolarHBondContact O-N 3.44Å; W780-V782 PolarHBondContact O-N 3.44Å; W780-Y783 PolarHBondContact O-N 2.84Å; W780-V784 WeakPolarHBondContact O-CB 3.49Å; W780-V784 WeakPolarHBondContact O-CG2 3.35Å; W780-V784 PolarHBondContact O-N 3.01Å; W780-F847 HydrophobicContact CH2-CE2 4.16Å; W780-F847 HydrophobicContact CH2-CZ 4.23Å; W780-F847 HydrophobicContact CZ2-CE2 4.34Å |
| 781 | S | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.7 | -50.7 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | W751 H755 N778 H785 | W751-S781 PolarHBondContact O-OG 3.2Å; H755-S781 VanDerWaalsContact CA-OG 3.26Å; H755-S781 WeakPolarHBondContact CA-OG 3.13Å; H755-S781 PolarHBondContact N-OG 3Å; H755-S781 VanDerWaalsContact N-OG 3.16Å; N778-S781 WeakPolarHBondContact O-CB 3.5Å; N778-S781 PolarHBondContact O-N 3.23Å; S781-H785 WeakPolarHBondContact O-CB 3.42Å; S781-H785 PolarHBondContact O-N 2.89Å; S781-H785 PolarHBondContact O-ND1 3.22Å |
| 782 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | W751 N778 L779 W780 V784 H785 E786 R793 I800 L832 W840 | W751-V782 HydrophobicContact CH2-CG2 3.61Å; W751-V782 HydrophobicContact CZ3-CG2 4.01Å; N778-V782 WeakPolarHBondContact O-CG2 3.45Å; N778-V782 PolarHBondContact O-N 3.27Å; L779-V782 PolarHBondContact O-N 3.27Å; W780-V782 PolarHBondContact O-N 3.44Å; V782-V784 PolarHBondContact O-N 3.2Å; V782-H785 PolarHBondContact O-N 3.37Å; V782-E786 HydrophobicContact CG1-CG 4.46Å; V782-E786 WeakPolarHBondContact CG1-OE2 3.49Å; V782-E786 WeakPolarHBondContact O-CG 3.45Å; V782-E786 PolarHBondContact O-N 3.18Å; V782-R793 HydrophobicContact CG1-CB 4.1Å; V782-I800 HydrophobicContact CG2-CD1 4.07Å; V782-L832 HydrophobicContact CB-CD2 4.48Å; V782-L832 HydrophobicContact CG1-CD2 4.3Å; V782-L832 HydrophobicContact CG2-CD2 4.03Å; V782-W840 HydrophobicContact CB-CH2 4.17Å; V782-W840 HydrophobicContact CB-CZ2 4.14Å; V782-W840 HydrophobicContact CG1-CH2 4.26Å; V782-W840 HydrophobicContact CG1-CZ2 3.81Å |
| 783 | Y | 98.5 | Very high | 96.4 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.2 | -52.6 | -176.7 | -176 | -103 | 0 | 0 | 0 | 113.3 | G695 D698 L699 L779 W780 H785 E786 E787 W840 K844 | G695-Y783 VanDerWaalsContact O-CE1 3.31Å; G695-Y783 WeakPolarHBondContact O-CE1 3.27Å; D698-Y783 PolarHBondContact OD2-OH 3.18Å; L699-Y783 HydrophobicContact CB-CD1 3.69Å; L699-Y783 HydrophobicContact CB-CE1 3.92Å; L699-Y783 HydrophobicContact CB-CG 4.01Å; L699-Y783 HydrophobicContact CD1-CD2 4.09Å; L699-Y783 HydrophobicContact CD1-CE2 4.4Å; L699-Y783 HydrophobicContact CD1-CG 4.25Å; L699-Y783 HydrophobicContact CD2-CD1 4.34Å; L699-Y783 HydrophobicContact CD2-CG 3.95Å; L699-Y783 HydrophobicContact CG-CD1 4.46Å; L699-Y783 HydrophobicContact CG-CG 4.29Å; L779-Y783 VanDerWaalsContact O-CB 3.23Å; L779-Y783 WeakPolarHBondContact O-CB 3.35Å; L779-Y783 PolarHBondContact O-N 3.44Å; W780-Y783 PolarHBondContact O-N 2.84Å; Y783-H785 VanDerWaalsContact C-N 3.34Å; Y783-H785 PolarHBondContact O-N 3.42Å; Y783-E786 PolarHBondContact O-N 2.75Å; Y783-E787 HydrophobicContact CD2-CB 4.47Å; Y783-E787 HydrophobicContact CD2-CG 3.79Å; Y783-E787 HydrophobicContact CE1-CB 4.47Å; Y783-E787 HydrophobicContact CE2-CB 4.2Å; Y783-E787 HydrophobicContact CE2-CG 3.59Å; Y783-E787 HydrophobicContact CG-CG 4.44Å; Y783-E787 WeakPolarHBondContact O-CB 3.46Å; Y783-E787 PolarHBondContact O-N 3.28Å; Y783-W840 HydrophobicContact CD2-CB 4.1Å; Y783-W840 AromaticContact CD2-CD1 3.73Å; Y783-W840 AromaticContact CD2-CD2 3.42Å; Y783-W840 HydrophobicContact CD2-CD2 3.42Å; Y783-W840 VanDerWaalsContact CD2-CD2 3.42Å; Y783-W840 AromaticContact CD2-CE2 3.6Å; Y783-W840 AromaticContact CD2-CE3 3.84Å; Y783-W840 HydrophobicContact CD2-CE3 3.84Å; Y783-W840 AromaticContact CD2-CG 3.53Å; Y783-W840 HydrophobicContact CD2-CG 3.53Å; Y783-W840 HydrophobicContact CD2-CZ2 4.16Å; Y783-W840 HydrophobicContact CD2-CZ3 4.38Å; Y783-W840 AromaticContact CD2-NE1 3.79Å; Y783-W840 HydrophobicContact CE2-CB 3.74Å; Y783-W840 AromaticContact CE2-CD1 3.85Å; Y783-W840 HydrophobicContact CE2-CD2 4.01Å; Y783-W840 AromaticContact CE2-CG 3.61Å; Y783-W840 HydrophobicContact CE2-CG 3.61Å; Y783-W840 HydrophobicContact CG-CD2 4.47Å; Y783-K844 VanDerWaalsContact OH-CE 3.32Å; Y783-K844 WeakPolarHBondContact OH-CE 3.3Å; Y783-K844 PolarHBondContact OH-NZ 2.81Å |
| 784 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -65.7 | -39.9 | -176.9 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | I692 V696 I754 W780 V782 E786 V788 L789 | I692-V784 HydrophobicContact CB-CG1 4.32Å; I692-V784 HydrophobicContact CG1-CG1 3.97Å; I692-V784 HydrophobicContact CG2-CG1 4.06Å; V696-V784 HydrophobicContact CG2-CG2 4.01Å; I754-V784 HydrophobicContact CD1-CB 3.96Å; I754-V784 HydrophobicContact CD1-CG1 3.47Å; I754-V784 VanDerWaalsContact CD1-CG1 3.47Å; I754-V784 HydrophobicContact CG1-CG1 4.22Å; I754-V784 HydrophobicContact CG2-CB 3.99Å; I754-V784 HydrophobicContact CG2-CG1 4.5Å; I754-V784 HydrophobicContact CG2-CG2 3.98Å; W780-V784 WeakPolarHBondContact O-CB 3.49Å; W780-V784 WeakPolarHBondContact O-CG2 3.35Å; W780-V784 PolarHBondContact O-N 3.01Å; V782-V784 PolarHBondContact O-N 3.2Å; V784-E786 PolarHBondContact O-N 3.46Å; V784-V788 HydrophobicContact CG1-CB 4.14Å; V784-V788 HydrophobicContact CG1-CG2 4.38Å; V784-V788 WeakPolarHBondContact O-CA 3.44Å; V784-V788 VanDerWaalsContact O-CB 3.23Å; V784-V788 WeakPolarHBondContact O-CB 3.14Å; V784-V788 PolarHBondContact O-N 2.89Å; V784-L789 HydrophobicContact CG1-CD1 4.42Å; V784-L789 HydrophobicContact CG1-CG 4.36Å; V784-L789 PolarHBondContact O-N 3.09Å |
| 785 | H | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -63 | -44.7 | 178.7 | -75.5 | 85.3 | 0 | 0 | 0 | 111.6 | G749 L750 I754 S781 V782 Y783 L789 G790 L791 A796 | G749-H785 WeakPolarHBondContact CA-NE2 3.41Å; L750-H785 PolarHBondContact N-NE2 3.3Å; I754-H785 WeakPolarHBondContact CD1-CE1 3.47Å; S781-H785 WeakPolarHBondContact O-CB 3.42Å; S781-H785 PolarHBondContact O-N 2.89Å; S781-H785 PolarHBondContact O-ND1 3.22Å; V782-H785 PolarHBondContact O-N 3.37Å; Y783-H785 VanDerWaalsContact C-N 3.34Å; Y783-H785 PolarHBondContact O-N 3.42Å; H785-L789 CarbonylContact O-C 3.59Å; H785-L789 WeakPolarHBondContact O-CB 3.38Å; H785-L789 PolarHBondContact O-N 3.43Å; H785-G790 PolarHBondContact O-N 3.47Å; H785-L791 CarbonylContact C-O 3.28Å; H785-L791 HydrophobicContact CB-CB 4.49Å; H785-L791 PolarHBondContact O-N 3.44Å; H785-A796 HydrophobicContact CB-CB 3.85Å |
| 786 | E | 95.9 | Very high | 95.6 | Very high | 44 Ų | 44 | 31 Ų | 31 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -75.9 | -52.9 | -177.2 | -67.4 | -175.4 | 144.8 | 0 | 0 | 112.7 | V782 Y783 V784 G790 R793 | V782-E786 HydrophobicContact CG1-CG 4.46Å; V782-E786 WeakPolarHBondContact CG1-OE2 3.49Å; V782-E786 WeakPolarHBondContact O-CG 3.45Å; V782-E786 PolarHBondContact O-N 3.18Å; Y783-E786 PolarHBondContact O-N 2.75Å; V784-E786 PolarHBondContact O-N 3.46Å; E786-G790 WeakPolarHBondContact O-CA 3.42Å; E786-G790 PolarHBondContact O-N 3.05Å; E786-R793 VanDerWaalsContact CD-NH2 3.31Å; E786-R793 HydrophobicContact CG-CB 4.27Å; E786-R793 WeakPolarHBondContact OE1-CB 3.2Å; E786-R793 IonicContact OE1-CZ 3.27Å; E786-R793 IonicContact OE1-NE 2.62Å; E786-R793 PolarHBondContact OE1-NE 3.18Å; E786-R793 IonicContact OE1-NH2 2.73Å; E786-R793 PolarHBondContact OE1-NH2 2.99Å; E786-R793 IonicContact OE2-CZ 2.73Å; E786-R793 IonicContact OE2-NE 2.72Å; E786-R793 IonicContact OE2-NH2 2.66Å; E786-R793 PolarHBondContact OE2-NH2 2.95Å |
| 787 | E | 97.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 31.5 Ų | 31.5 | 54% | 0.542 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -85.6 | -24.6 | -168.6 | -58.2 | -60.7 | 148.6 | 0 | 0 | 113 | Y783 | Y783-E787 HydrophobicContact CD2-CB 4.47Å; Y783-E787 HydrophobicContact CD2-CG 3.79Å; Y783-E787 HydrophobicContact CE1-CB 4.47Å; Y783-E787 HydrophobicContact CE2-CB 4.2Å; Y783-E787 HydrophobicContact CE2-CG 3.59Å; Y783-E787 HydrophobicContact CG-CG 4.44Å; Y783-E787 WeakPolarHBondContact O-CB 3.46Å; Y783-E787 PolarHBondContact O-N 3.28Å |
| 788 | V | 97.1 | Very high | 95.1 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -110.3 | -45.4 | -176.4 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | D691 R746 V784 | D691-V788 HydrophobicContact CB-CG1 3.81Å; D691-V788 WeakPolarHBondContact O-CG1 3.3Å; R746-V788 PolarHBondContact NH1-O 3.28Å; V784-V788 HydrophobicContact CG1-CB 4.14Å; V784-V788 HydrophobicContact CG1-CG2 4.38Å; V784-V788 WeakPolarHBondContact O-CA 3.44Å; V784-V788 VanDerWaalsContact O-CB 3.23Å; V784-V788 WeakPolarHBondContact O-CB 3.14Å; V784-V788 PolarHBondContact O-N 2.89Å |
| 789 | L | 96.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -87.7 | -15.2 | -177.6 | -57.3 | 178.1 | 0 | 0 | 0 | 112.5 | L688 I692 R746 I754 V784 H785 L791 | L688-L789 HydrophobicContact CD1-CD2 3.68Å; I692-L789 HydrophobicContact CD1-CD2 4.26Å; I692-L789 HydrophobicContact CG1-CD2 4.1Å; R746-L789 HydrophobicContact CG-CD2 4.47Å; I754-L789 HydrophobicContact CD1-CD1 4.2Å; V784-L789 HydrophobicContact CG1-CD1 4.42Å; V784-L789 HydrophobicContact CG1-CG 4.36Å; V784-L789 PolarHBondContact O-N 3.09Å; H785-L789 CarbonylContact O-C 3.59Å; H785-L789 WeakPolarHBondContact O-CB 3.38Å; H785-L789 PolarHBondContact O-N 3.43Å; L789-L791 HydrophobicContact CB-CB 4.45Å; L789-L791 PolarHBondContact O-N 3.16Å |
| 790 | G | 95.4 | Very high | 94.7 | Very high | 68 Ų | 68 | 43.3 Ų | 43.3 | 70% | 0.701 | 22% | 0.218 | S | C | * | . | trans | 68 | 21 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | H785 E786 | H785-G790 PolarHBondContact O-N 3.47Å; E786-G790 WeakPolarHBondContact O-CA 3.42Å; E786-G790 PolarHBondContact O-N 3.05Å | ||
| 791 | L | 93.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | trans | -100.5 | 118 | -177.8 | -171 | 64.8 | 0 | 0 | 0 | 110 | H785 L789 R793 K795 A796 | H785-L791 CarbonylContact C-O 3.28Å; H785-L791 HydrophobicContact CB-CB 4.49Å; H785-L791 PolarHBondContact O-N 3.44Å; L789-L791 HydrophobicContact CB-CB 4.45Å; L789-L791 PolarHBondContact O-N 3.16Å; L791-R793 PolarHBondContact O-N 3.29Å; L791-K795 HydrophobicContact CD1-CB 3.8Å; L791-K795 HydrophobicContact CD1-CD 4.17Å; L791-K795 HydrophobicContact CG-CB 4.17Å; L791-A796 HydrophobicContact CD2-CB 4.03Å; L791-A796 HydrophobicContact CG-CB 4.43Å | ||
| 792 | N | 91.6 | Very high | 94.4 | Very high | 89 Ų | 89 | 48.9 Ų | 48.9 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | trans | -56.1 | 135.1 | 174.6 | -179 | -73.7 | 0 | 0 | 0 | 110.7 | E794 K795 A796 | N792-E794 PolarHBondContact O-N 3.01Å; N792-E794 VanDerWaalsContact O-N 3.09Å; N792-E794 VanDerWaalsContact OD1-CB 3.29Å; N792-E794 WeakPolarHBondContact OD1-CB 3.34Å; N792-E794 WeakPolarHBondContact OD1-CG 3.48Å; N792-E794 PolarHBondContact OD1-N 2.88Å; N792-K795 WeakPolarHBondContact O-CA 3.44Å; N792-K795 WeakPolarHBondContact O-CB 3.21Å; N792-K795 PolarHBondContact O-N 3.38Å; N792-A796 PolarHBondContact O-N 2.89Å; N792-A796 VanDerWaalsContact O-N 3.14Å | ||
| 793 | R | 90.8 | Very high | 94.3 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 6% | 0.06 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -54.6 | -32.6 | -175.8 | 77.3 | 177.3 | 63 | 174.9 | -4.4 | 114.1 | V782 E786 L791 K795 A796 S797 I800 Q835 E836 | V782-R793 HydrophobicContact CG1-CB 4.1Å; E786-R793 VanDerWaalsContact CD-NH2 3.31Å; E786-R793 HydrophobicContact CG-CB 4.27Å; E786-R793 WeakPolarHBondContact OE1-CB 3.2Å; E786-R793 IonicContact OE1-CZ 3.27Å; E786-R793 IonicContact OE1-NE 2.62Å; E786-R793 PolarHBondContact OE1-NE 3.18Å; E786-R793 IonicContact OE1-NH2 2.73Å; E786-R793 PolarHBondContact OE1-NH2 2.99Å; E786-R793 IonicContact OE2-CZ 2.73Å; E786-R793 IonicContact OE2-NE 2.72Å; E786-R793 IonicContact OE2-NH2 2.66Å; E786-R793 PolarHBondContact OE2-NH2 2.95Å; L791-R793 PolarHBondContact O-N 3.29Å; R793-K795 PolarHBondContact O-N 2.95Å; R793-A796 PolarHBondContact O-N 2.87Å; R793-A796 VanDerWaalsContact O-N 3.15Å; R793-S797 PolarHBondContact O-N 3.39Å; R793-I800 HydrophobicContact CB-CD1 3.56Å; R793-I800 HydrophobicContact CB-CG1 4.41Å; R793-I800 HydrophobicContact CG-CD1 4.04Å; R793-I800 VanDerWaalsContact O-CD1 3.25Å; R793-I800 WeakPolarHBondContact O-CD1 3.34Å; R793-I800 VanDerWaalsContact O-CG1 3.22Å; R793-I800 WeakPolarHBondContact O-CG1 3.43Å; R793-Q835 VanDerWaalsContact NH1-OE1 3.09Å; R793-Q835 VanDerWaalsContact NH2-CD 3.32Å; R793-E836 IonicContact NH1-OE1 2.79Å |
| 794 | E | 90.4 | Very high | 94.2 | Very high | 83 Ų | 83 | 56.4 Ų | 56.4 | 39% | 0.388 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.7 | -26.9 | 177.2 | -58.2 | -161.9 | 142.8 | 0 | 0 | 113.3 | N792 S802 | N792-E794 PolarHBondContact O-N 3.01Å; N792-E794 VanDerWaalsContact O-N 3.09Å; N792-E794 VanDerWaalsContact OD1-CB 3.29Å; N792-E794 WeakPolarHBondContact OD1-CB 3.34Å; N792-E794 WeakPolarHBondContact OD1-CG 3.48Å; N792-E794 PolarHBondContact OD1-N 2.88Å; E794-S802 WeakPolarHBondContact OE1-CB 3.43Å; E794-S802 PolarHBondContact OE1-N 3.39Å; E794-S802 PolarHBondContact OE1-OG 3.48Å |
| 795 | K | 89.2 | Confident | 94 | Very high | 157 Ų | 157 | 57.5 Ų | 57.5 | 68% | 0.683 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -87.1 | -30.9 | 173.6 | -66.5 | -177.6 | 178.2 | 179.8 | 0 | 112.1 | L791 N792 R793 S797 | L791-K795 HydrophobicContact CD1-CB 3.8Å; L791-K795 HydrophobicContact CD1-CD 4.17Å; L791-K795 HydrophobicContact CG-CB 4.17Å; N792-K795 WeakPolarHBondContact O-CA 3.44Å; N792-K795 WeakPolarHBondContact O-CB 3.21Å; N792-K795 PolarHBondContact O-N 3.38Å; R793-K795 PolarHBondContact O-N 2.95Å; K795-S797 PolarHBondContact O-N 3.04Å |
| 796 | A | 88.5 | Confident | 94 | Very high | 9 Ų | 9 | 63.6 Ų | 63.6 | 7% | 0.074 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.4 | -32.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W751 H785 L791 N792 R793 | W751-A796 HydrophobicContact CE3-CB 4.1Å; W751-A796 HydrophobicContact CZ3-CB 4.38Å; H785-A796 HydrophobicContact CB-CB 3.85Å; L791-A796 HydrophobicContact CD2-CB 4.03Å; L791-A796 HydrophobicContact CG-CB 4.43Å; N792-A796 PolarHBondContact O-N 2.89Å; N792-A796 VanDerWaalsContact O-N 3.14Å; R793-A796 PolarHBondContact O-N 2.87Å; R793-A796 VanDerWaalsContact O-N 3.15Å |
| 797 | S | 92.3 | Very high | 94 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | trans | -152.4 | 134.2 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 113.3 | W751 R793 K795 N799 I800 | W751-S797 VanDerWaalsContact CE3-CB 3.5Å; R793-S797 PolarHBondContact O-N 3.39Å; K795-S797 PolarHBondContact O-N 3.04Å; S797-N799 PolarHBondContact O-N 3.43Å; S797-N799 PolarHBondContact OG-N 2.9Å; S797-I800 WeakPolarHBondContact O-CG1 3.45Å; S797-I800 PolarHBondContact O-N 2.73Å; S797-I800 VanDerWaalsContact O-N 3.14Å | ||
| 798 | R | 92.9 | Very high | 93.9 | Very high | 209 Ų | 209 | 61.9 Ų | 61.9 | 79% | 0.789 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.5 | 176.1 | 67.9 | 179.6 | -178.8 | 173.8 | -1.8 | 113.9 | K804 | R798-K804 WeakPolarHBondContact O-CG 3.06Š|
| 799 | N | 94 | Very high | 93.9 | Very high | 37 Ų | 37 | 62 Ų | 62 | 20% | 0.198 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -13.3 | -177.7 | -68.3 | -37 | 0 | 0 | 0 | 113.1 | S797 K804 Y808 W825 | S797-N799 PolarHBondContact O-N 3.43Å; S797-N799 PolarHBondContact OG-N 2.9Å; N799-K804 VanDerWaalsContact O-CB 3.3Å; N799-K804 WeakPolarHBondContact O-CB 3.48Å; N799-Y808 VanDerWaalsContact O-CE2 3.25Å; N799-Y808 WeakPolarHBondContact O-CE2 3.45Å; N799-W825 HydrophobicContact CB-CD2 3.85Å; N799-W825 HydrophobicContact CB-CE3 3.84Å; N799-W825 HydrophobicContact CB-CH2 3.89Å; N799-W825 HydrophobicContact CB-CZ2 3.88Å; N799-W825 HydrophobicContact CB-CZ3 3.85Å; N799-W825 WeakPolarHBondContact ND2-CZ2 3.28Å |
| 800 | I | 93.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -118.2 | 20.7 | -176.9 | 63.3 | 173.2 | 0 | 0 | 0 | 113.3 | W751 V782 R793 S797 R805 W825 L828 | W751-I800 HydrophobicContact CE3-CD1 4.47Å; W751-I800 HydrophobicContact CH2-CD1 3.48Å; W751-I800 VanDerWaalsContact CH2-CD1 3.48Å; W751-I800 HydrophobicContact CH2-CG1 4.46Å; W751-I800 HydrophobicContact CH2-CG2 4.4Å; W751-I800 HydrophobicContact CZ3-CD1 3.4Å; W751-I800 VanDerWaalsContact CZ3-CD1 3.4Å; W751-I800 HydrophobicContact CZ3-CG1 4.46Å; V782-I800 HydrophobicContact CG2-CD1 4.07Å; R793-I800 HydrophobicContact CB-CD1 3.56Å; R793-I800 HydrophobicContact CB-CG1 4.41Å; R793-I800 HydrophobicContact CG-CD1 4.04Å; R793-I800 VanDerWaalsContact O-CD1 3.25Å; R793-I800 WeakPolarHBondContact O-CD1 3.34Å; R793-I800 VanDerWaalsContact O-CG1 3.22Å; R793-I800 WeakPolarHBondContact O-CG1 3.43Å; S797-I800 WeakPolarHBondContact O-CG1 3.45Å; S797-I800 PolarHBondContact O-N 2.73Å; S797-I800 VanDerWaalsContact O-N 3.14Å; I800-R805 HydrophobicContact CB-CG 4.45Å; I800-R805 WeakPolarHBondContact O-CD 3.3Å; I800-W825 HydrophobicContact CG2-CE3 4.04Å; I800-W825 HydrophobicContact CG2-CZ3 3.97Å; I800-L828 HydrophobicContact CG2-CD2 4.31Å |
| 801 | T | 95.1 | Very high | 94 | Very high | 41 Ų | 41 | 68.9 Ų | 68.9 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -60.5 | 149.7 | 165.3 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | A803 K804 R805 | T801-A803 PolarHBondContact O-N 3.25Å; T801-A803 VanDerWaalsContact O-N 3.1Å; T801-K804 PolarHBondContact O-N 2.82Å; T801-K804 WeakPolarHBondContact OG1-CB 3.28Å; T801-K804 WeakPolarHBondContact OG1-CG 3.28Å; T801-K804 PolarHBondContact OG1-N 2.62Å; T801-R805 WeakPolarHBondContact O-CG 3.35Å; T801-R805 PolarHBondContact O-N 3.24Å |
| 802 | S | 93.8 | Very high | 94.2 | Very high | 76 Ų | 76 | 68.7 Ų | 68.7 | 53% | 0.531 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -48.2 | -41.4 | 176.5 | -72.5 | 0 | 0 | 0 | 0 | 113.1 | E794 K806 | E794-S802 WeakPolarHBondContact OE1-CB 3.43Å; E794-S802 PolarHBondContact OE1-N 3.39Å; E794-S802 PolarHBondContact OE1-OG 3.48Å; S802-K806 WeakPolarHBondContact O-CB 3.35Å; S802-K806 PolarHBondContact O-N 3.02Å |
| 803 | A | 95.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 64% | 0.636 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T801 H807 | T801-A803 PolarHBondContact O-N 3.25Å; T801-A803 VanDerWaalsContact O-N 3.1Å; A803-H807 WeakPolarHBondContact O-CB 3.38Å; A803-H807 PolarHBondContact O-N 3.36Å |
| 804 | K | 96.8 | Very high | 94.6 | Very high | 92 Ų | 92 | 74.9 Ų | 74.9 | 40% | 0.4 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.7 | -43.4 | 178.1 | -76.7 | -68.4 | -174.2 | -179.5 | 0 | 112.1 | R798 N799 T801 H807 Y808 | R798-K804 WeakPolarHBondContact O-CG 3.06Å; N799-K804 VanDerWaalsContact O-CB 3.3Å; N799-K804 WeakPolarHBondContact O-CB 3.48Å; T801-K804 PolarHBondContact O-N 2.82Å; T801-K804 WeakPolarHBondContact OG1-CB 3.28Å; T801-K804 WeakPolarHBondContact OG1-CG 3.28Å; T801-K804 PolarHBondContact OG1-N 2.62Å; K804-H807 WeakPolarHBondContact O-CB 3.38Å; K804-H807 PolarHBondContact O-N 2.74Å; K804-H807 VanDerWaalsContact O-N 3.13Å; K804-Y808 HydrophobicContact CB-CE2 4.1Å; K804-Y808 WeakPolarHBondContact O-CD2 3.45Å; K804-Y808 PolarHBondContact O-N 3.17Å |
| 805 | R | 95.8 | Very high | 94.8 | Very high | 23 Ų | 23 | 72.6 Ų | 72.6 | 9% | 0.087 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 176.5 | -67 | 179.9 | 63 | -160.6 | -8 | 111.3 | I800 T801 H807 Y808 I809 E829 E836 | I800-R805 HydrophobicContact CB-CG 4.45Å; I800-R805 WeakPolarHBondContact O-CD 3.3Å; T801-R805 WeakPolarHBondContact O-CG 3.35Å; T801-R805 PolarHBondContact O-N 3.24Å; R805-H807 VanDerWaalsContact C-N 3.31Å; R805-H807 PolarHBondContact O-N 3.21Å; R805-Y808 PolarHBondContact O-N 2.9Å; R805-Y808 VanDerWaalsContact O-N 3.16Å; R805-I809 WeakPolarHBondContact O-CG1 3.37Å; R805-I809 PolarHBondContact O-N 3.3Å; R805-I809 VanDerWaalsContact O-N 3.16Å; R805-E829 WeakPolarHBondContact CB-OE2 3.47Å; R805-E829 WeakPolarHBondContact CG-OE2 3.44Å; R805-E829 IonicContact CZ-OE1 2.57Å; R805-E829 IonicContact CZ-OE2 2.67Å; R805-E829 IonicContact NE-OE1 3.71Å; R805-E829 PolarHBondContact NE-OE1 3.04Å; R805-E829 IonicContact NE-OE2 3.35Å; R805-E829 PolarHBondContact NE-OE2 2.97Å; R805-E829 IonicContact NH2-OE1 2.81Å; R805-E829 PolarHBondContact NH2-OE1 2.94Å; R805-E829 IonicContact NH2-OE2 2.64Å; R805-E829 PolarHBondContact NH2-OE2 3.06Å; R805-E836 IonicContact CZ-OE1 2.86Å; R805-E836 IonicContact NH1-OE1 3.96Å; R805-E836 PolarHBondContact NH1-OE1 3.08Å; R805-E836 VanDerWaalsContact NH2-CD 3.32Å; R805-E836 IonicContact NH2-OE1 3.12Å; R805-E836 PolarHBondContact NH2-OE1 3.36Å; R805-E836 IonicContact NH2-OE2 3.52Å; R805-E836 PolarHBondContact NH2-OE2 2.68Å |
| 806 | K | 96 | Very high | 95.1 | Very high | 129 Ų | 129 | 67.6 Ų | 67.6 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -56.2 | -44.6 | 172.7 | -178.9 | 171.8 | 174.3 | 173.4 | 0 | 112.2 | S802 Y808 I809 E810 | S802-K806 WeakPolarHBondContact O-CB 3.35Å; S802-K806 PolarHBondContact O-N 3.02Å; K806-Y808 PolarHBondContact O-N 3.42Å; K806-I809 PolarHBondContact O-N 3.3Å; K806-E810 WeakPolarHBondContact CE-OE1 3.39Å; K806-E810 HydrophobicContact CG-CG 4.37Å; K806-E810 IonicContact NZ-OE1 3.3Å; K806-E810 WeakPolarHBondContact O-CG 3.27Å; K806-E810 PolarHBondContact O-N 3.42Å |
| 807 | H | 96.5 | Very high | 95.4 | Very high | 91 Ų | 91 | 70.6 Ų | 70.6 | 42% | 0.421 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 177.4 | 175.1 | 74.8 | 0 | 0 | 0 | 113 | A803 K804 R805 K811 | A803-H807 WeakPolarHBondContact O-CB 3.38Å; A803-H807 PolarHBondContact O-N 3.36Å; K804-H807 WeakPolarHBondContact O-CB 3.38Å; K804-H807 PolarHBondContact O-N 2.74Å; K804-H807 VanDerWaalsContact O-N 3.13Å; R805-H807 VanDerWaalsContact C-N 3.31Å; R805-H807 PolarHBondContact O-N 3.21Å; H807-K811 VanDerWaalsContact O-CB 3.22Å; H807-K811 WeakPolarHBondContact O-CB 3.31Å; H807-K811 PolarHBondContact O-N 3.48Å |
| 808 | Y | 96.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 73.9 Ų | 73.9 | 13% | 0.125 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 177.4 | -60.1 | -45 | 0 | 0 | 0 | 112 | N799 K804 R805 K806 K811 Y812 W825 | N799-Y808 VanDerWaalsContact O-CE2 3.25Å; N799-Y808 WeakPolarHBondContact O-CE2 3.45Å; K804-Y808 HydrophobicContact CB-CE2 4.1Å; K804-Y808 WeakPolarHBondContact O-CD2 3.45Å; K804-Y808 PolarHBondContact O-N 3.17Å; R805-Y808 PolarHBondContact O-N 2.9Å; R805-Y808 VanDerWaalsContact O-N 3.16Å; K806-Y808 PolarHBondContact O-N 3.42Å; Y808-K811 PolarHBondContact O-N 2.91Å; Y808-Y812 VanDerWaalsContact O-CB 3.28Å; Y808-Y812 WeakPolarHBondContact O-CB 3.3Å; Y808-Y812 PolarHBondContact O-N 2.94Å; Y808-W825 HydrophobicContact CD1-CB 4.49Å; Y808-W825 HydrophobicContact CD2-CB 3.81Å; Y808-W825 HydrophobicContact CE1-CB 4.2Å; Y808-W825 HydrophobicContact CE2-CB 3.47Å; Y808-W825 VanDerWaalsContact CE2-CB 3.47Å; Y808-W825 HydrophobicContact CE2-CG 4.06Å; Y808-W825 HydrophobicContact CG-CB 4.33Å; Y808-W825 AromaticContact CZ-CG 3.96Å |
| 809 | I | 96.6 | Very high | 95.5 | Very high | 36 Ų | 36 | 65.8 Ų | 65.8 | 19% | 0.185 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.8 | -54.5 | 175.9 | -62.7 | 163.9 | 0 | 0 | 0 | 110.1 | R805 K806 K811 Y812 V813 E829 Q833 W886 M909 | R805-I809 WeakPolarHBondContact O-CG1 3.37Å; R805-I809 PolarHBondContact O-N 3.3Å; R805-I809 VanDerWaalsContact O-N 3.16Å; K806-I809 PolarHBondContact O-N 3.3Å; I809-K811 VanDerWaalsContact C-N 3.31Å; I809-K811 PolarHBondContact O-N 2.88Å; I809-Y812 PolarHBondContact O-N 2.88Å; I809-V813 HydrophobicContact CG2-CG2 4.25Å; I809-V813 WeakPolarHBondContact O-CB 3.47Å; I809-V813 VanDerWaalsContact O-CG2 3.3Å; I809-V813 WeakPolarHBondContact O-CG2 3.39Å; I809-V813 PolarHBondContact O-N 2.89Å; I809-E829 HydrophobicContact CD1-CG 3.9Å; I809-E829 HydrophobicContact CG1-CG 3.73Å; I809-Q833 VanDerWaalsContact CD1-NE2 3.33Å; I809-W886 HydrophobicContact CG1-CH2 3.96Å; I809-W886 HydrophobicContact CG1-CZ2 4.4Å; I809-M909 HydrophobicContact CG2-SD 3.7Å |
| 810 | E | 96.9 | Very high | 95.5 | Very high | 79 Ų | 79 | 68 Ų | 68 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.4 | -42.1 | -178.1 | -73.2 | 178.7 | 179.4 | 0 | 0 | 112.2 | K806 K814 | K806-E810 WeakPolarHBondContact CE-OE1 3.39Å; K806-E810 HydrophobicContact CG-CG 4.37Å; K806-E810 IonicContact NZ-OE1 3.3Å; K806-E810 WeakPolarHBondContact O-CG 3.27Å; K806-E810 PolarHBondContact O-N 3.42Å; E810-K814 WeakPolarHBondContact O-CB 3.45Å; E810-K814 VanDerWaalsContact O-CG 3.23Å; E810-K814 WeakPolarHBondContact O-CG 3.44Å; E810-K814 PolarHBondContact O-N 2.52Å |
| 811 | K | 97 | Very high | 95.5 | Very high | 142 Ų | 142 | 71.6 Ų | 71.6 | 62% | 0.617 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 177.4 | -176.9 | -177.4 | 176.2 | -173.9 | 0 | 111 | H807 Y808 I809 K814 G815 | H807-K811 VanDerWaalsContact O-CB 3.22Å; H807-K811 WeakPolarHBondContact O-CB 3.31Å; H807-K811 PolarHBondContact O-N 3.48Å; Y808-K811 PolarHBondContact O-N 2.91Å; I809-K811 VanDerWaalsContact C-N 3.31Å; I809-K811 PolarHBondContact O-N 2.88Å; K811-K814 PolarHBondContact O-N 3.01Å; K811-G815 PolarHBondContact O-N 3.4Å |
| 812 | Y | 97.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 69.6 Ų | 69.6 | 3% | 0.027 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | -179.9 | -175.3 | -112.9 | 0 | 0 | 0 | 112.1 | Y808 I809 G815 G816 K817 N818 D821 W822 T826 W886 | Y808-Y812 VanDerWaalsContact O-CB 3.28Å; Y808-Y812 WeakPolarHBondContact O-CB 3.3Å; Y808-Y812 PolarHBondContact O-N 2.94Å; I809-Y812 PolarHBondContact O-N 2.88Å; Y812-G815 PolarHBondContact O-N 2.96Å; Y812-G816 PolarHBondContact O-N 2.89Å; Y812-K817 HydrophobicContact CD1-CB 4.4Å; Y812-K817 HydrophobicContact CD1-CG 4.41Å; Y812-K817 HydrophobicContact CE1-CB 3.86Å; Y812-K817 HydrophobicContact CE1-CG 4.28Å; Y812-K817 PolarHBondContact O-N 3.35Å; Y812-K817 PolarHBondContact OH-O 2.99Å; Y812-N818 VanDerWaalsContact CE2-O 3.25Å; Y812-N818 WeakPolarHBondContact CE2-O 3.15Å; Y812-N818 PolarHBondContact OH-O 3.04Å; Y812-D821 HydrophobicContact CD2-CB 4.13Å; Y812-D821 HydrophobicContact CE2-CB 4.13Å; Y812-W822 HydrophobicContact CE2-CB 3.94Å; Y812-T826 HydrophobicContact CD1-CG2 4.28Å; Y812-T826 HydrophobicContact CD2-CG2 3.7Å; Y812-T826 HydrophobicContact CE2-CG2 4.34Å; Y812-T826 HydrophobicContact CG-CG2 3.65Å; Y812-W886 AromaticContact CD1-CE3 3.68Å; Y812-W886 HydrophobicContact CD1-CE3 3.68Å; Y812-W886 AromaticContact CD1-CZ3 3.67Å; Y812-W886 HydrophobicContact CD1-CZ3 3.67Å; Y812-W886 AromaticContact CE1-CE3 3.59Å; Y812-W886 HydrophobicContact CE1-CE3 3.59Å; Y812-W886 HydrophobicContact CE1-CZ3 4.06Å; Y812-W886 WeakPolarHBondContact CE1-O 3.32Å; Y812-W886 HydrophobicContact CG-CZ3 4.36Å; Y812-W886 PolarHBondContact OH-O 3.49Å |
| 813 | V | 96.1 | Very high | 95.6 | Very high | 62 Ų | 62 | 69.5 Ų | 69.5 | 38% | 0.376 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 176 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | I809 G815 G816 M909 | I809-V813 HydrophobicContact CG2-CG2 4.25Å; I809-V813 WeakPolarHBondContact O-CB 3.47Å; I809-V813 VanDerWaalsContact O-CG2 3.3Å; I809-V813 WeakPolarHBondContact O-CG2 3.39Å; I809-V813 PolarHBondContact O-N 2.89Å; V813-G815 PolarHBondContact O-N 3.48Å; V813-G816 PolarHBondContact O-N 3.43Å; V813-M909 HydrophobicContact CG2-CE 3.75Å; V813-M909 HydrophobicContact CG2-SD 4.49Å |
| 814 | K | 96.1 | Very high | 95.5 | Very high | 173 Ų | 173 | 68 Ų | 68 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62 | -31.2 | 175.8 | -74.9 | 173 | -176.2 | 173.1 | 0 | 112.8 | E810 K811 G816 | E810-K814 WeakPolarHBondContact O-CB 3.45Å; E810-K814 VanDerWaalsContact O-CG 3.23Å; E810-K814 WeakPolarHBondContact O-CG 3.44Å; E810-K814 PolarHBondContact O-N 2.52Å; K811-K814 PolarHBondContact O-N 3.01Å; K814-G816 PolarHBondContact O-N 3.27Å |
| 815 | G | 93.8 | Very high | 95.5 | Very high | 35 Ų | 35 | 66.3 Ų | 66.3 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 2.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K811 Y812 V813 N818 | K811-G815 PolarHBondContact O-N 3.4Å; Y812-G815 PolarHBondContact O-N 2.96Å; V813-G815 PolarHBondContact O-N 3.48Å; G815-N818 PolarHBondContact O-ND2 3.44Å |
| 816 | G | 95.3 | Very high | 95.5 | Very high | 52 Ų | 52 | 66 Ų | 66 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 12.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y812 V813 K814 N818 | Y812-G816 PolarHBondContact O-N 2.89Å; V813-G816 PolarHBondContact O-N 3.43Å; K814-G816 PolarHBondContact O-N 3.27Å; G816-N818 VanDerWaalsContact C-N 3.26Å; G816-N818 PolarHBondContact O-N 3.42Å |
| 817 | K | 94.8 | Very high | 95.6 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 31% | 0.313 | 32% | 0.32 | S | S | . | . | trans | 58.9 | 35.5 | 178.3 | -52.1 | 167.8 | 172 | -168.2 | 0 | 112.9 | Y812 L819 A885 | Y812-K817 HydrophobicContact CD1-CB 4.4Å; Y812-K817 HydrophobicContact CD1-CG 4.41Å; Y812-K817 HydrophobicContact CE1-CB 3.86Å; Y812-K817 HydrophobicContact CE1-CG 4.28Å; Y812-K817 PolarHBondContact O-N 3.35Å; Y812-K817 PolarHBondContact OH-O 2.99Å; K817-L819 PolarHBondContact O-N 2.91Å; K817-A885 WeakPolarHBondContact CD-O 3.47Å | ||
| 818 | N | 94 | Very high | 95.6 | Very high | 84 Ų | 84 | 55.6 Ų | 55.6 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | trans | -70.5 | 125.6 | 179.6 | -66.8 | -42.2 | 0 | 0 | 0 | 110.7 | Y812 G815 G816 S820 D821 | Y812-N818 VanDerWaalsContact CE2-O 3.25Å; Y812-N818 WeakPolarHBondContact CE2-O 3.15Å; Y812-N818 PolarHBondContact OH-O 3.04Å; G815-N818 PolarHBondContact O-ND2 3.44Å; G816-N818 VanDerWaalsContact C-N 3.26Å; G816-N818 PolarHBondContact O-N 3.42Å; N818-S820 PolarHBondContact O-N 2.89Å; N818-D821 PolarHBondContact O-N 2.79Å | ||
| 819 | L | 93.6 | Very high | 95.7 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 20% | 0.199 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -56 | -28.7 | -179.6 | -173.5 | 65.5 | 0 | 0 | 0 | 113.2 | H771 K817 D821 W822 M864 | H771-L819 PolarHBondContact CE1-O 3.12Å; H771-L819 PolarHBondContact ND1-O 3.02Å; K817-L819 PolarHBondContact O-N 2.91Å; L819-D821 PolarHBondContact O-N 2.73Å; L819-W822 HydrophobicContact CD1-CB 4.1Å; L819-W822 HydrophobicContact CD1-CD2 4.33Å; L819-W822 HydrophobicContact CD1-CE3 4.05Å; L819-W822 HydrophobicContact CD1-CG 4.37Å; L819-W822 VanDerWaalsContact O-CB 3.32Å; L819-W822 WeakPolarHBondContact O-CB 3.45Å; L819-W822 PolarHBondContact O-N 3.06Å; L819-W822 VanDerWaalsContact O-N 3.09Å; L819-M864 HydrophobicContact CD1-CE 3.81Å; L819-M864 HydrophobicContact CD2-CE 4.18Å; L819-M864 HydrophobicContact CD2-SD 4.26Å |
| 820 | S | 93.8 | Very high | 95.7 | Very high | 85 Ų | 85 | 52.7 Ų | 52.7 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -58.7 | -28.7 | 173.9 | 52.8 | 0 | 0 | 0 | 0 | 113.8 | N818 | N818-S820 PolarHBondContact O-N 2.89Š|
| 821 | D | 94.4 | Very high | 95.8 | Very high | 77 Ų | 77 | 49 Ų | 49 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -92.9 | -4.1 | 179.8 | -58.9 | -39.8 | 0 | 0 | 0 | 112.7 | Y812 N818 L819 N823 | Y812-D821 HydrophobicContact CD2-CB 4.13Å; Y812-D821 HydrophobicContact CE2-CB 4.13Å; N818-D821 PolarHBondContact O-N 2.79Å; L819-D821 PolarHBondContact O-N 2.73Å; D821-N823 PolarHBondContact O-N 3.46Å; D821-N823 VanDerWaalsContact O-N 3.15Å; D821-N823 PolarHBondContact O-ND2 3.29Å |
| 822 | W | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -80.6 | 87.5 | 173.4 | -171.3 | 78.7 | 0 | 0 | 0 | 109.2 | F768 H771 T772 Y812 L819 A827 T830 Y831 W888 | F768-W822 HydrophobicContact CD2-CH2 4.41Å; F768-W822 HydrophobicContact CD2-CZ3 4.35Å; H771-W822 HydrophobicContact CB-CE3 3.38Å; H771-W822 HydrophobicContact CB-CZ3 3.41Å; H771-W822 VanDerWaalsContact CB-CZ3 3.41Å; H771-W822 WeakPolarHBondContact CB-O 3.49Å; H771-W822 AromaticContact CG-CE3 3.81Å; H771-W822 PolarHBondContact ND1-O 3.42Å; T772-W822 HydrophobicContact CG2-CH2 3.87Å; T772-W822 HydrophobicContact CG2-CZ3 3.93Å; Y812-W822 HydrophobicContact CE2-CB 3.94Å; L819-W822 HydrophobicContact CD1-CB 4.1Å; L819-W822 HydrophobicContact CD1-CD2 4.33Å; L819-W822 HydrophobicContact CD1-CE3 4.05Å; L819-W822 HydrophobicContact CD1-CG 4.37Å; L819-W822 VanDerWaalsContact O-CB 3.32Å; L819-W822 WeakPolarHBondContact O-CB 3.45Å; L819-W822 PolarHBondContact O-N 3.06Å; L819-W822 VanDerWaalsContact O-N 3.09Å; W822-A827 HydrophobicContact CD2-CB 3.72Å; W822-A827 VanDerWaalsContact CE2-CA 3.43Å; W822-A827 HydrophobicContact CE3-CB 4.08Å; W822-A827 HydrophobicContact CG-CB 4.24Å; W822-A827 HydrophobicContact CH2-CB 3.97Å; W822-A827 HydrophobicContact CZ2-CB 3.65Å; W822-A827 HydrophobicContact CZ3-CB 4.19Å; W822-T830 PolarHBondContact NE1-OG1 3.48Å; W822-Y831 AromaticContact CH2-CE2 3.87Å; W822-Y831 HydrophobicContact CH2-CE2 3.87Å; W822-Y831 AromaticContact CZ2-CE2 3.77Å; W822-Y831 HydrophobicContact CZ2-CE2 3.77Å; W822-W888 AromaticContact CE2-NE1 3.64Å; W822-W888 AromaticContact CH2-CZ2 3.63Å; W822-W888 HydrophobicContact CH2-CZ2 3.63Å; W822-W888 AromaticContact CZ2-CZ2 3.68Å; W822-W888 HydrophobicContact CZ2-CZ2 3.68Å; W822-W888 AromaticContact CZ2-NE1 3.7Å; W822-W888 HydrophobicContact CZ3-CZ2 4.39Å | ||
| 823 | N | 93.8 | Very high | 95.8 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | trans | -141.4 | 157.6 | -177.7 | 58.9 | 60.7 | 0 | 0 | 0 | 112 | D821 W825 T826 A827 | D821-N823 PolarHBondContact O-N 3.46Å; D821-N823 VanDerWaalsContact O-N 3.15Å; D821-N823 PolarHBondContact O-ND2 3.29Å; N823-W825 PolarHBondContact O-N 2.93Å; N823-T826 PolarHBondContact O-N 3.28Å; N823-A827 PolarHBondContact O-N 2.79Å | ||
| 824 | V | 93.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 39.3 Ų | 39.3 | 27% | 0.273 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | 43.4 | -98.7 | 173.5 | -164.7 | 0 | 0 | 0 | 0 | 113.2 | E774 A775 L828 | E774-V824 HydrophobicContact CB-CB 4.4Å; E774-V824 HydrophobicContact CB-CG1 4.1Å; E774-V824 HydrophobicContact CB-CG2 3.93Å; A775-V824 VanDerWaalsContact CB-O 3.24Å; A775-V824 WeakPolarHBondContact CB-O 3.48Å; V824-L828 WeakPolarHBondContact O-CB 3.37Å; V824-L828 PolarHBondContact O-N 3.43Å |
| 825 | W | 95.9 | Very high | 96 | Very high | 58 Ų | 58 | 32 Ų | 32 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -78.5 | -38.7 | -175.4 | -54.3 | 106.8 | 0 | 0 | 0 | 113.2 | W751 N799 I800 Y808 N823 A827 L828 E829 | W751-W825 HydrophobicContact CZ2-CH2 4.07Å; W751-W825 AromaticContact CZ2-CZ3 3.8Å; W751-W825 HydrophobicContact CZ2-CZ3 3.8Å; W751-W825 AromaticContact NE1-CH2 3.92Å; N799-W825 HydrophobicContact CB-CD2 3.85Å; N799-W825 HydrophobicContact CB-CE3 3.84Å; N799-W825 HydrophobicContact CB-CH2 3.89Å; N799-W825 HydrophobicContact CB-CZ2 3.88Å; N799-W825 HydrophobicContact CB-CZ3 3.85Å; N799-W825 WeakPolarHBondContact ND2-CZ2 3.28Å; I800-W825 HydrophobicContact CG2-CE3 4.04Å; I800-W825 HydrophobicContact CG2-CZ3 3.97Å; Y808-W825 HydrophobicContact CD1-CB 4.49Å; Y808-W825 HydrophobicContact CD2-CB 3.81Å; Y808-W825 HydrophobicContact CE1-CB 4.2Å; Y808-W825 HydrophobicContact CE2-CB 3.47Å; Y808-W825 VanDerWaalsContact CE2-CB 3.47Å; Y808-W825 HydrophobicContact CE2-CG 4.06Å; Y808-W825 HydrophobicContact CG-CB 4.33Å; Y808-W825 AromaticContact CZ-CG 3.96Å; N823-W825 PolarHBondContact O-N 2.93Å; W825-A827 VanDerWaalsContact C-N 3.27Å; W825-A827 PolarHBondContact O-N 3.19Å; W825-L828 HydrophobicContact CE3-CD2 4.05Å; W825-L828 HydrophobicContact CZ3-CD2 4.14Å; W825-L828 PolarHBondContact O-N 3.3Å; W825-E829 PolarHBondContact O-N 2.91Å |
| 826 | T | 96.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 174 | -53.4 | 0 | 0 | 0 | 0 | 109.9 | Y812 N823 W886 | Y812-T826 HydrophobicContact CD1-CG2 4.28Å; Y812-T826 HydrophobicContact CD2-CG2 3.7Å; Y812-T826 HydrophobicContact CE2-CG2 4.34Å; Y812-T826 HydrophobicContact CG-CG2 3.65Å; N823-T826 PolarHBondContact O-N 3.28Å; T826-W886 HydrophobicContact CG2-CZ3 3.98Å |
| 827 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.4 | -47 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A775 W822 N823 W825 E829 T830 Y831 | A775-A827 HydrophobicContact CB-CB 3.58Å; W822-A827 HydrophobicContact CD2-CB 3.72Å; W822-A827 VanDerWaalsContact CE2-CA 3.43Å; W822-A827 HydrophobicContact CE3-CB 4.08Å; W822-A827 HydrophobicContact CG-CB 4.24Å; W822-A827 HydrophobicContact CH2-CB 3.97Å; W822-A827 HydrophobicContact CZ2-CB 3.65Å; W822-A827 HydrophobicContact CZ3-CB 4.19Å; N823-A827 PolarHBondContact O-N 2.79Å; W825-A827 VanDerWaalsContact C-N 3.27Å; W825-A827 PolarHBondContact O-N 3.19Å; A827-E829 VanDerWaalsContact C-N 3.26Å; A827-E829 PolarHBondContact O-N 3.02Å; A827-T830 WeakPolarHBondContact O-CB 3.41Å; A827-T830 PolarHBondContact O-N 2.85Å; A827-Y831 WeakPolarHBondContact O-CD2 3.23Å; A827-Y831 WeakPolarHBondContact O-CE2 3.3Å |
| 828 | L | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.1 | -41.3 | 175.3 | 177.1 | 60.4 | 0 | 0 | 0 | 111.9 | N778 L779 I800 V824 W825 T830 Y831 L832 | N778-L828 HydrophobicContact CB-CD1 3.97Å; N778-L828 HydrophobicContact CB-CD2 3.55Å; N778-L828 HydrophobicContact CB-CG 4.34Å; L779-L828 HydrophobicContact CD2-CD1 3.96Å; L779-L828 HydrophobicContact CG-CD1 4.39Å; I800-L828 HydrophobicContact CG2-CD2 4.31Å; V824-L828 WeakPolarHBondContact O-CB 3.37Å; V824-L828 PolarHBondContact O-N 3.43Å; W825-L828 HydrophobicContact CE3-CD2 4.05Å; W825-L828 HydrophobicContact CZ3-CD2 4.14Å; W825-L828 PolarHBondContact O-N 3.3Å; L828-T830 VanDerWaalsContact C-N 3.26Å; L828-T830 PolarHBondContact O-N 2.96Å; L828-Y831 WeakPolarHBondContact O-CA 3.4Å; L828-Y831 WeakPolarHBondContact O-CB 3.4Å; L828-Y831 PolarHBondContact O-N 2.62Å; L828-L832 HydrophobicContact CD1-CD2 4.1Å; L828-L832 HydrophobicContact CD1-CG 4.16Å; L828-L832 HydrophobicContact CD2-CD1 4.38Å; L828-L832 HydrophobicContact CG-CD1 4.04Å; L828-L832 HydrophobicContact CG-CD2 4.39Å; L828-L832 HydrophobicContact CG-CG 4.01Å; L828-L832 WeakPolarHBondContact O-CG 3.41Å; L828-L832 PolarHBondContact O-N 3.37Å |
| 829 | E | 97.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 33.6 Ų | 33.6 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.1 | -38.9 | -179.4 | -176.1 | 57.2 | -150.6 | 0 | 0 | 113.2 | R805 I809 W825 A827 Y831 L832 Q833 W886 | R805-E829 WeakPolarHBondContact CB-OE2 3.47Å; R805-E829 WeakPolarHBondContact CG-OE2 3.44Å; R805-E829 IonicContact CZ-OE1 2.57Å; R805-E829 IonicContact CZ-OE2 2.67Å; R805-E829 IonicContact NE-OE1 3.71Å; R805-E829 PolarHBondContact NE-OE1 3.04Å; R805-E829 IonicContact NE-OE2 3.35Å; R805-E829 PolarHBondContact NE-OE2 2.97Å; R805-E829 IonicContact NH2-OE1 2.81Å; R805-E829 PolarHBondContact NH2-OE1 2.94Å; R805-E829 IonicContact NH2-OE2 2.64Å; R805-E829 PolarHBondContact NH2-OE2 3.06Å; I809-E829 HydrophobicContact CD1-CG 3.9Å; I809-E829 HydrophobicContact CG1-CG 3.73Å; W825-E829 PolarHBondContact O-N 2.91Å; A827-E829 VanDerWaalsContact C-N 3.26Å; A827-E829 PolarHBondContact O-N 3.02Å; E829-Y831 PolarHBondContact O-N 3.12Å; E829-L832 PolarHBondContact O-N 2.79Å; E829-L832 VanDerWaalsContact O-N 3.16Å; E829-Q833 WeakPolarHBondContact O-CG 3.2Å; E829-Q833 PolarHBondContact O-N 3.44Å; E829-W886 HydrophobicContact CB-CH2 4.09Å; E829-W886 HydrophobicContact CB-CZ2 4.49Å; E829-W886 HydrophobicContact CG-CH2 3.88Å; E829-W886 HydrophobicContact CG-CZ2 4.06Å |
| 830 | T | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.6 | -42.3 | 174.4 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | W822 A827 L828 L834 F882 F883 W886 | W822-T830 PolarHBondContact NE1-OG1 3.48Å; A827-T830 WeakPolarHBondContact O-CB 3.41Å; A827-T830 PolarHBondContact O-N 2.85Å; L828-T830 VanDerWaalsContact C-N 3.26Å; L828-T830 PolarHBondContact O-N 2.96Å; T830-L834 PolarHBondContact O-N 3.5Å; T830-F882 HydrophobicContact CG2-CE1 3.75Å; T830-F882 HydrophobicContact CG2-CZ 3.97Å; T830-F882 WeakPolarHBondContact O-CZ 3.38Å; T830-F883 HydrophobicContact CG2-CE1 4.42Å; T830-W886 HydrophobicContact CG2-CB 4.4Å; T830-W886 HydrophobicContact CG2-CD2 4.21Å; T830-W886 HydrophobicContact CG2-CG 3.86Å |
| 831 | Y | 97.9 | Very high | 97 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.5 | -34.8 | 178 | -58.1 | -85.5 | 0 | 0 | 0 | 112.4 | T776 W822 A827 L828 E829 Q833 L834 Q835 F843 Y867 | T776-Y831 HydrophobicContact CG2-CD2 4.48Å; T776-Y831 HydrophobicContact CG2-CE1 4.22Å; T776-Y831 HydrophobicContact CG2-CE2 3.82Å; W822-Y831 AromaticContact CH2-CE2 3.87Å; W822-Y831 HydrophobicContact CH2-CE2 3.87Å; W822-Y831 AromaticContact CZ2-CE2 3.77Å; W822-Y831 HydrophobicContact CZ2-CE2 3.77Å; A827-Y831 WeakPolarHBondContact O-CD2 3.23Å; A827-Y831 WeakPolarHBondContact O-CE2 3.3Å; L828-Y831 WeakPolarHBondContact O-CA 3.4Å; L828-Y831 WeakPolarHBondContact O-CB 3.4Å; L828-Y831 PolarHBondContact O-N 2.62Å; E829-Y831 PolarHBondContact O-N 3.12Å; Y831-Q833 VanDerWaalsContact C-N 3.31Å; Y831-Q833 PolarHBondContact O-N 3.37Å; Y831-L834 WeakPolarHBondContact O-CB 3.27Å; Y831-L834 PolarHBondContact O-N 3.08Å; Y831-Q835 PolarHBondContact O-N 3.36Å; Y831-F843 HydrophobicContact CD1-CE1 4.05Å; Y831-F843 HydrophobicContact CD1-CZ 4.4Å; Y831-F843 WeakPolarHBondContact O-CZ 3.42Å; Y831-Y867 HydrophobicContact CD1-CE1 4.41Å; Y831-Y867 AromaticContact CE1-CE1 3.85Å; Y831-Y867 HydrophobicContact CE1-CE1 3.85Å; Y831-Y867 AromaticContact CE1-CZ 3.72Å; Y831-Y867 WeakPolarHBondContact CE1-OH 3.42Å |
| 832 | L | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -36.1 | 176.5 | -62.2 | -177.5 | 0 | 0 | 0 | 112 | V782 L828 E829 L834 Q835 E836 | V782-L832 HydrophobicContact CB-CD2 4.48Å; V782-L832 HydrophobicContact CG1-CD2 4.3Å; V782-L832 HydrophobicContact CG2-CD2 4.03Å; L828-L832 HydrophobicContact CD1-CD2 4.1Å; L828-L832 HydrophobicContact CD1-CG 4.16Å; L828-L832 HydrophobicContact CD2-CD1 4.38Å; L828-L832 HydrophobicContact CG-CD1 4.04Å; L828-L832 HydrophobicContact CG-CD2 4.39Å; L828-L832 HydrophobicContact CG-CG 4.01Å; L828-L832 WeakPolarHBondContact O-CG 3.41Å; L828-L832 PolarHBondContact O-N 3.37Å; E829-L832 PolarHBondContact O-N 2.79Å; E829-L832 VanDerWaalsContact O-N 3.16Å; L832-L834 VanDerWaalsContact C-N 3.34Å; L832-Q835 WeakPolarHBondContact O-CB 3.36Å; L832-Q835 PolarHBondContact O-N 3.07Å; L832-E836 VanDerWaalsContact O-CG 3.3Å; L832-E836 WeakPolarHBondContact O-CG 3.46Å; L832-E836 PolarHBondContact O-N 2.95Å |
| 833 | Q | 97.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 3% | 0.033 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 173.8 | -71.1 | 178.6 | -3.1 | 0 | 0 | 112.6 | I809 E829 Y831 Q835 K837 F882 W886 P908 | I809-Q833 VanDerWaalsContact CD1-NE2 3.33Å; E829-Q833 WeakPolarHBondContact O-CG 3.2Å; E829-Q833 PolarHBondContact O-N 3.44Å; Y831-Q833 VanDerWaalsContact C-N 3.31Å; Y831-Q833 PolarHBondContact O-N 3.37Å; Q833-Q835 VanDerWaalsContact C-N 3.34Å; Q833-K837 PolarHBondContact O-N 3.27Å; Q833-K837 VanDerWaalsContact O-N 3.16Å; Q833-F882 HydrophobicContact CB-CE2 4.21Å; Q833-F882 HydrophobicContact CB-CZ 4.02Å; Q833-F882 VanDerWaalsContact OE1-CE2 3.24Å; Q833-W886 VanDerWaalsContact OE1-NE1 3.11Å; Q833-P908 HydrophobicContact CB-CG 4.32Å; Q833-P908 HydrophobicContact CG-CB 4.36Å; Q833-P908 HydrophobicContact CG-CG 4.22Å |
| 834 | L | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 171.1 | -66.5 | 171.6 | 0 | 0 | 0 | 110.7 | T830 Y831 L832 K837 F838 F843 F871 L879 F882 F883 W904 | T830-L834 PolarHBondContact O-N 3.5Å; Y831-L834 WeakPolarHBondContact O-CB 3.27Å; Y831-L834 PolarHBondContact O-N 3.08Å; L832-L834 VanDerWaalsContact C-N 3.34Å; L834-K837 PolarHBondContact O-N 3.12Å; L834-F838 HydrophobicContact CB-CD2 4.42Å; L834-F838 HydrophobicContact CD2-CD2 4.2Å; L834-F838 HydrophobicContact CD2-CE2 3.84Å; L834-F838 WeakPolarHBondContact O-CB 3.48Å; L834-F838 VanDerWaalsContact O-CD2 3.22Å; L834-F838 WeakPolarHBondContact O-CD2 3.28Å; L834-F838 PolarHBondContact O-N 3.39Å; L834-F843 HydrophobicContact CB-CE2 4.06Å; L834-F843 HydrophobicContact CB-CZ 4.04Å; L834-F871 HydrophobicContact CB-CE1 4.28Å; L834-F871 HydrophobicContact CB-CE2 4.33Å; L834-F871 HydrophobicContact CB-CZ 3.8Å; L834-F871 HydrophobicContact CD1-CD2 4.1Å; L834-F871 HydrophobicContact CD1-CE1 4.46Å; L834-F871 HydrophobicContact CD1-CE2 3.85Å; L834-F871 HydrophobicContact CD1-CZ 4.05Å; L834-F871 HydrophobicContact CD2-CE1 4.24Å; L834-F871 HydrophobicContact CD2-CZ 4.49Å; L834-F871 HydrophobicContact CG-CZ 4.34Å; L834-L879 HydrophobicContact CD2-CD1 3.97Å; L834-F882 HydrophobicContact CD1-CE1 4.16Å; L834-F882 HydrophobicContact CD2-CD1 3.93Å; L834-F882 HydrophobicContact CD2-CE1 3.64Å; L834-F882 HydrophobicContact CD2-CZ 4.31Å; L834-F882 HydrophobicContact CG-CD1 4.48Å; L834-F882 HydrophobicContact CG-CE1 3.72Å; L834-F882 HydrophobicContact CG-CZ 4.22Å; L834-F883 HydrophobicContact CD1-CE1 4.06Å; L834-F883 HydrophobicContact CD1-CZ 3.83Å; L834-W904 HydrophobicContact CD2-CZ3 4.05Å |
| 835 | Q | 97.8 | Very high | 97.6 | Very high | 21 Ų | 21 | 32.5 Ų | 32.5 | 10% | 0.098 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 179.1 | -177.8 | -81.4 | -32.7 | 0 | 0 | 111.7 | R793 Y831 L832 Q833 K837 G839 W840 F843 | R793-Q835 VanDerWaalsContact NH1-OE1 3.09Å; R793-Q835 VanDerWaalsContact NH2-CD 3.32Å; Y831-Q835 PolarHBondContact O-N 3.36Å; L832-Q835 WeakPolarHBondContact O-CB 3.36Å; L832-Q835 PolarHBondContact O-N 3.07Å; Q833-Q835 VanDerWaalsContact C-N 3.34Å; Q835-K837 VanDerWaalsContact C-N 3.34Å; Q835-K837 PolarHBondContact O-N 3.03Å; Q835-G839 WeakPolarHBondContact O-CA 3.38Å; Q835-G839 PolarHBondContact O-N 2.91Å; Q835-W840 HydrophobicContact CG-CD2 3.6Å; Q835-W840 HydrophobicContact CG-CE3 3.86Å; Q835-W840 HydrophobicContact CG-CG 4.27Å; Q835-W840 HydrophobicContact CG-CH2 3.96Å; Q835-W840 HydrophobicContact CG-CZ2 3.7Å; Q835-W840 HydrophobicContact CG-CZ3 4.03Å; Q835-F843 HydrophobicContact CB-CD2 4.35Å; Q835-F843 HydrophobicContact CB-CE2 3.7Å; Q835-F843 HydrophobicContact CB-CZ 4.39Å |
| 836 | E | 96.3 | Very high | 97.7 | Very high | 106 Ų | 106 | 29.8 Ų | 29.8 | 50% | 0.495 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -66.1 | -35.7 | 177.3 | -74.6 | 166.3 | 169.9 | 0 | 0 | 112.5 | R793 R805 L832 | R793-E836 IonicContact NH1-OE1 2.79Å; R805-E836 IonicContact CZ-OE1 2.86Å; R805-E836 IonicContact NH1-OE1 3.96Å; R805-E836 PolarHBondContact NH1-OE1 3.08Å; R805-E836 VanDerWaalsContact NH2-CD 3.32Å; R805-E836 IonicContact NH2-OE1 3.12Å; R805-E836 PolarHBondContact NH2-OE1 3.36Å; R805-E836 IonicContact NH2-OE2 3.52Å; R805-E836 PolarHBondContact NH2-OE2 2.68Å; L832-E836 VanDerWaalsContact O-CG 3.3Å; L832-E836 WeakPolarHBondContact O-CG 3.46Å; L832-E836 PolarHBondContact O-N 2.95Å |
| 837 | K | 97.7 | Very high | 97.7 | Very high | 97 Ų | 97 | 29.2 Ų | 29.2 | 42% | 0.422 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -78.4 | -40.8 | 179.2 | -178 | 65.8 | 173.2 | -168.8 | 0 | 113 | Q833 L834 Q835 W904 | Q833-K837 PolarHBondContact O-N 3.27Å; Q833-K837 VanDerWaalsContact O-N 3.16Å; L834-K837 PolarHBondContact O-N 3.12Å; Q835-K837 VanDerWaalsContact C-N 3.34Å; Q835-K837 PolarHBondContact O-N 3.03Å; K837-W904 HydrophobicContact CB-CH2 3.74Å; K837-W904 HydrophobicContact CB-CZ2 3.79Å; K837-W904 HydrophobicContact CD-CZ2 3.74Å; K837-W904 HydrophobicContact CG-CH2 3.83Å; K837-W904 HydrophobicContact CG-CZ2 3.5Å; K837-W904 VanDerWaalsContact CG-CZ2 3.5Å |
| 838 | F | 98.1 | Very high | 97.7 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 20% | 0.202 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -117.2 | -8.2 | -166.8 | -55 | -66.4 | 0 | 0 | 0 | 115 | L834 A842 F871 V875 M877 L879 W904 | L834-F838 HydrophobicContact CB-CD2 4.42Å; L834-F838 HydrophobicContact CD2-CD2 4.2Å; L834-F838 HydrophobicContact CD2-CE2 3.84Å; L834-F838 WeakPolarHBondContact O-CB 3.48Å; L834-F838 VanDerWaalsContact O-CD2 3.22Å; L834-F838 WeakPolarHBondContact O-CD2 3.28Å; L834-F838 PolarHBondContact O-N 3.39Å; F838-A842 HydrophobicContact CB-CB 3.56Å; F838-F871 AromaticContact CD2-CE1 3.88Å; F838-F871 HydrophobicContact CD2-CE1 3.88Å; F838-F871 HydrophobicContact CE2-CE1 4.45Å; F838-V875 HydrophobicContact CB-CG1 3.95Å; F838-V875 HydrophobicContact CD1-CB 3.78Å; F838-V875 HydrophobicContact CD1-CG1 3.85Å; F838-V875 HydrophobicContact CD1-CG2 4.16Å; F838-V875 HydrophobicContact CD2-CG1 4.16Å; F838-V875 HydrophobicContact CE1-CB 3.94Å; F838-V875 HydrophobicContact CE1-CG1 4.4Å; F838-V875 HydrophobicContact CE1-CG2 3.85Å; F838-V875 HydrophobicContact CE2-CG2 4.33Å; F838-V875 HydrophobicContact CG-CB 4.17Å; F838-V875 HydrophobicContact CG-CG1 3.72Å; F838-V875 HydrophobicContact CZ-CB 4.48Å; F838-V875 HydrophobicContact CZ-CG2 3.96Å; F838-M877 HydrophobicContact CE1-CE 3.24Å; F838-M877 HydrophobicContact CE2-CE 4.45Å; F838-M877 HydrophobicContact CZ-CE 3.13Å; F838-L879 HydrophobicContact CE2-CD1 4.37Å; F838-L879 HydrophobicContact CE2-CD2 3.83Å; F838-L879 HydrophobicContact CZ-CD2 3.64Å; F838-W904 HydrophobicContact CE2-CE3 4.25Å; F838-W904 HydrophobicContact CE2-CH2 4.33Å; F838-W904 AromaticContact CE2-CZ3 3.94Å; F838-W904 HydrophobicContact CE2-CZ3 3.94Å; F838-W904 HydrophobicContact CZ-CD2 4.45Å; F838-W904 HydrophobicContact CZ-CE3 4.16Å; F838-W904 HydrophobicContact CZ-CZ3 4.26Å |
| 839 | G | 97.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 28% | 0.278 | 17% | 0.173 | S | C | . | . | trans | 73.7 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q835 D841 A842 | Q835-G839 WeakPolarHBondContact O-CA 3.38Å; Q835-G839 PolarHBondContact O-N 2.91Å; G839-D841 VanDerWaalsContact C-N 3.34Å; G839-D841 PolarHBondContact O-N 2.94Å; G839-A842 PolarHBondContact O-N 2.9Å | ||
| 840 | W | 97.9 | Very high | 97.5 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.6 | -26.8 | -179.1 | -69.5 | 119.7 | 0 | 0 | 0 | 113.8 | L699 L779 V782 Y783 Q835 A842 F843 K844 | L699-W840 HydrophobicContact CD1-CE3 3.76Å; L699-W840 HydrophobicContact CD1-CZ3 4.1Å; L699-W840 HydrophobicContact CD2-CZ3 4.35Å; L779-W840 HydrophobicContact CB-CZ3 4.44Å; L779-W840 HydrophobicContact CD2-CH2 4.43Å; L779-W840 HydrophobicContact CD2-CZ3 4.33Å; L779-W840 WeakPolarHBondContact O-CH2 3.48Å; V782-W840 HydrophobicContact CB-CH2 4.17Å; V782-W840 HydrophobicContact CB-CZ2 4.14Å; V782-W840 HydrophobicContact CG1-CH2 4.26Å; V782-W840 HydrophobicContact CG1-CZ2 3.81Å; Y783-W840 HydrophobicContact CD2-CB 4.1Å; Y783-W840 AromaticContact CD2-CD1 3.73Å; Y783-W840 AromaticContact CD2-CD2 3.42Å; Y783-W840 HydrophobicContact CD2-CD2 3.42Å; Y783-W840 VanDerWaalsContact CD2-CD2 3.42Å; Y783-W840 AromaticContact CD2-CE2 3.6Å; Y783-W840 AromaticContact CD2-CE3 3.84Å; Y783-W840 HydrophobicContact CD2-CE3 3.84Å; Y783-W840 AromaticContact CD2-CG 3.53Å; Y783-W840 HydrophobicContact CD2-CG 3.53Å; Y783-W840 HydrophobicContact CD2-CZ2 4.16Å; Y783-W840 HydrophobicContact CD2-CZ3 4.38Å; Y783-W840 AromaticContact CD2-NE1 3.79Å; Y783-W840 HydrophobicContact CE2-CB 3.74Å; Y783-W840 AromaticContact CE2-CD1 3.85Å; Y783-W840 HydrophobicContact CE2-CD2 4.01Å; Y783-W840 AromaticContact CE2-CG 3.61Å; Y783-W840 HydrophobicContact CE2-CG 3.61Å; Y783-W840 HydrophobicContact CG-CD2 4.47Å; Q835-W840 HydrophobicContact CG-CD2 3.6Å; Q835-W840 HydrophobicContact CG-CE3 3.86Å; Q835-W840 HydrophobicContact CG-CG 4.27Å; Q835-W840 HydrophobicContact CG-CH2 3.96Å; Q835-W840 HydrophobicContact CG-CZ2 3.7Å; Q835-W840 HydrophobicContact CG-CZ3 4.03Å; W840-A842 PolarHBondContact O-N 3.36Å; W840-F843 HydrophobicContact CE3-CB 4.41Å; W840-F843 HydrophobicContact CE3-CD2 4.3Å; W840-F843 HydrophobicContact CE3-CG 4.36Å; W840-F843 WeakPolarHBondContact O-CB 3.33Å; W840-F843 PolarHBondContact O-N 2.93Å; W840-K844 PolarHBondContact O-N 3.14Å |
| 841 | D | 97.9 | Very high | 97.3 | Very high | 111 Ų | 111 | 36.5 Ų | 36.5 | 59% | 0.594 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60.7 | -30.9 | 176.3 | -74.2 | -18.6 | 0 | 0 | 0 | 112.6 | G839 K844 K845 | G839-D841 VanDerWaalsContact C-N 3.34Å; G839-D841 PolarHBondContact O-N 2.94Å; D841-K844 PolarHBondContact O-N 3.24Å; D841-K845 WeakPolarHBondContact O-CG 3.31Å; D841-K845 PolarHBondContact O-N 2.92Å |
| 842 | A | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.041 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F838 G839 W840 K845 V846 F871 V875 | F838-A842 HydrophobicContact CB-CB 3.56Å; G839-A842 PolarHBondContact O-N 2.9Å; W840-A842 PolarHBondContact O-N 3.36Å; A842-K845 PolarHBondContact O-N 2.92Å; A842-V846 WeakPolarHBondContact O-CG2 3.23Å; A842-V846 PolarHBondContact O-N 2.59Å; A842-F871 HydrophobicContact CB-CE1 4.13Å; A842-F871 HydrophobicContact CB-CZ 4.17Å; A842-V875 HydrophobicContact CB-CG1 3.63Å |
| 843 | F | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 175.7 | -80.9 | -96.4 | 0 | 0 | 0 | 111.8 | L699 L779 Y831 L834 Q835 W840 K845 V846 F847 F871 | L699-F843 HydrophobicContact CD1-CB 4.31Å; L779-F843 HydrophobicContact CD1-CD1 4.05Å; L779-F843 HydrophobicContact CD1-CE1 3.77Å; L779-F843 HydrophobicContact CD2-CE1 4.15Å; Y831-F843 HydrophobicContact CD1-CE1 4.05Å; Y831-F843 HydrophobicContact CD1-CZ 4.4Å; Y831-F843 WeakPolarHBondContact O-CZ 3.42Å; L834-F843 HydrophobicContact CB-CE2 4.06Å; L834-F843 HydrophobicContact CB-CZ 4.04Å; Q835-F843 HydrophobicContact CB-CD2 4.35Å; Q835-F843 HydrophobicContact CB-CE2 3.7Å; Q835-F843 HydrophobicContact CB-CZ 4.39Å; W840-F843 HydrophobicContact CE3-CB 4.41Å; W840-F843 HydrophobicContact CE3-CD2 4.3Å; W840-F843 HydrophobicContact CE3-CG 4.36Å; W840-F843 WeakPolarHBondContact O-CB 3.33Å; W840-F843 PolarHBondContact O-N 2.93Å; F843-K845 PolarHBondContact O-N 3.3Å; F843-V846 PolarHBondContact O-N 3.24Å; F843-V846 VanDerWaalsContact O-N 3.16Å; F843-F847 HydrophobicContact CB-CE2 4.28Å; F843-F847 HydrophobicContact CD1-CE2 4.34Å; F843-F847 HydrophobicContact CD1-CZ 4.02Å; F843-F847 WeakPolarHBondContact O-CD2 3.28Å; F843-F847 WeakPolarHBondContact O-CG 3.33Å; F843-F847 PolarHBondContact O-N 3.48Å; F843-F871 HydrophobicContact CD1-CE2 4.28Å; F843-F871 HydrophobicContact CD2-CE2 4.27Å; F843-F871 HydrophobicContact CD2-CZ 4.05Å; F843-F871 HydrophobicContact CE1-CE2 4.02Å; F843-F871 AromaticContact CE2-CE2 3.98Å; F843-F871 HydrophobicContact CE2-CE2 3.98Å; F843-F871 AromaticContact CE2-CZ 3.76Å; F843-F871 HydrophobicContact CE2-CZ 3.76Å; F843-F871 HydrophobicContact CG-CE2 4.4Å; F843-F871 AromaticContact CZ-CE2 3.85Å; F843-F871 HydrophobicContact CZ-CE2 3.85Å; F843-F871 HydrophobicContact CZ-CZ 4.07Å |
| 844 | K | 98.3 | Very high | 96 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 16% | 0.161 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 175.6 | -66.4 | -179.8 | -173.2 | -178.2 | 0 | 111.3 | D698 V701 Y783 W840 D841 V846 F847 A848 | D698-K844 WeakPolarHBondContact OD1-CE 3.44Å; D698-K844 IonicContact OD1-NZ 3.43Å; D698-K844 PolarHBondContact OD1-NZ 3.34Å; D698-K844 IonicContact OD2-NZ 2.7Å; D698-K844 PolarHBondContact OD2-NZ 3.16Å; V701-K844 HydrophobicContact CG2-CB 3.66Å; V701-K844 HydrophobicContact CG2-CG 3.99Å; V701-K844 WeakPolarHBondContact CG2-O 3.48Å; Y783-K844 VanDerWaalsContact OH-CE 3.32Å; Y783-K844 WeakPolarHBondContact OH-CE 3.3Å; Y783-K844 PolarHBondContact OH-NZ 2.81Å; W840-K844 PolarHBondContact O-N 3.14Å; D841-K844 PolarHBondContact O-N 3.24Å; K844-V846 VanDerWaalsContact C-N 3.32Å; K844-V846 PolarHBondContact O-N 3.48Å; K844-F847 PolarHBondContact O-N 3.13Å; K844-A848 VanDerWaalsContact O-CB 3.24Å; K844-A848 WeakPolarHBondContact O-CB 3.31Å; K844-A848 PolarHBondContact O-N 3.31Å |
| 845 | K | 98.1 | Very high | 95.5 | Very high | 127 Ų | 127 | 58.5 Ų | 58.5 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.8 | -42.1 | 174.8 | -73.5 | 171.8 | -178.1 | 176 | 0 | 112.4 | D841 A842 F843 A849 A874 | D841-K845 WeakPolarHBondContact O-CG 3.31Å; D841-K845 PolarHBondContact O-N 2.92Å; A842-K845 PolarHBondContact O-N 2.92Å; F843-K845 PolarHBondContact O-N 3.3Å; K845-A849 WeakPolarHBondContact O-CB 3.28Å; K845-A849 PolarHBondContact O-N 2.89Å; K845-A874 HydrophobicContact CB-CB 4.08Å |
| 846 | V | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.7 | -51.3 | 178 | 170.5 | 0 | 0 | 0 | 0 | 111 | A842 F843 K844 A848 A849 Y850 Y867 T870 F871 A874 | A842-V846 WeakPolarHBondContact O-CG2 3.23Å; A842-V846 PolarHBondContact O-N 2.59Å; F843-V846 PolarHBondContact O-N 3.24Å; F843-V846 VanDerWaalsContact O-N 3.16Å; K844-V846 VanDerWaalsContact C-N 3.32Å; K844-V846 PolarHBondContact O-N 3.48Å; V846-A848 VanDerWaalsContact C-N 3.32Å; V846-A848 PolarHBondContact O-N 3.46Å; V846-A849 WeakPolarHBondContact O-CB 3.28Å; V846-A849 PolarHBondContact O-N 3.41Å; V846-Y850 HydrophobicContact CG1-CD2 4.04Å; V846-Y850 HydrophobicContact CG1-CE2 3.9Å; V846-Y850 VanDerWaalsContact O-CD2 3.3Å; V846-Y850 WeakPolarHBondContact O-CD2 3.18Å; V846-Y850 PolarHBondContact O-N 3.46Å; V846-Y867 HydrophobicContact CG1-CE2 4Å; V846-T870 HydrophobicContact CG1-CG2 4.18Å; V846-F871 HydrophobicContact CB-CD2 4.46Å; V846-F871 HydrophobicContact CG1-CD2 4.39Å; V846-F871 HydrophobicContact CG2-CB 4.07Å; V846-F871 HydrophobicContact CG2-CD1 4.39Å; V846-F871 HydrophobicContact CG2-CD2 3.68Å; V846-F871 HydrophobicContact CG2-CE2 4.15Å; V846-F871 HydrophobicContact CG2-CG 3.8Å; V846-A874 HydrophobicContact CG2-CB 3.68Å |
| 847 | F | 97.1 | Very high | 95 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 179.5 | -62.7 | -30.1 | 0 | 0 | 0 | 112.2 | L699 V701 W766 L779 W780 F843 K844 A849 Y850 H851 | L699-F847 HydrophobicContact CD1-CE2 4.28Å; L699-F847 HydrophobicContact CG-CE2 4.21Å; L699-F847 VanDerWaalsContact O-CD2 3.28Å; L699-F847 WeakPolarHBondContact O-CD2 3.36Å; V701-F847 HydrophobicContact CG2-CB 4.45Å; W766-F847 HydrophobicContact CD2-CD1 4.24Å; W766-F847 HydrophobicContact CD2-CE1 4.44Å; W766-F847 HydrophobicContact CE3-CD1 4.34Å; W766-F847 HydrophobicContact CH2-CB 4.19Å; W766-F847 AromaticContact CH2-CD1 3.97Å; W766-F847 HydrophobicContact CH2-CD1 3.97Å; W766-F847 HydrophobicContact CH2-CG 4.28Å; W766-F847 AromaticContact CZ2-CD1 3.9Å; W766-F847 HydrophobicContact CZ2-CD1 3.9Å; W766-F847 HydrophobicContact CZ2-CE1 4.24Å; W766-F847 HydrophobicContact CZ2-CG 4.41Å; W766-F847 HydrophobicContact CZ3-CD1 4.22Å; L779-F847 HydrophobicContact CD1-CZ 4.14Å; W780-F847 HydrophobicContact CH2-CE2 4.16Å; W780-F847 HydrophobicContact CH2-CZ 4.23Å; W780-F847 HydrophobicContact CZ2-CE2 4.34Å; F843-F847 HydrophobicContact CB-CE2 4.28Å; F843-F847 HydrophobicContact CD1-CE2 4.34Å; F843-F847 HydrophobicContact CD1-CZ 4.02Å; F843-F847 WeakPolarHBondContact O-CD2 3.28Å; F843-F847 WeakPolarHBondContact O-CG 3.33Å; F843-F847 PolarHBondContact O-N 3.48Å; K844-F847 PolarHBondContact O-N 3.13Å; F847-A849 PolarHBondContact O-N 3.47Å; F847-Y850 PolarHBondContact O-N 3Å; F847-H851 PolarHBondContact O-CD2 3.01Å; F847-H851 PolarHBondContact O-N 2.65Å |
| 848 | A | 96.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | V701 K844 V846 Y850 H851 | V701-A848 HydrophobicContact CG1-CB 4.07Å; K844-A848 VanDerWaalsContact O-CB 3.24Å; K844-A848 WeakPolarHBondContact O-CB 3.31Å; K844-A848 PolarHBondContact O-N 3.31Å; V846-A848 VanDerWaalsContact C-N 3.32Å; V846-A848 PolarHBondContact O-N 3.46Å; A848-Y850 PolarHBondContact O-N 3.41Å; A848-H851 WeakPolarHBondContact O-CB 3.47Å; A848-H851 PolarHBondContact O-N 3.49Å; A848-H851 VanDerWaalsContact O-N 3.08Å |
| 849 | A | 95.6 | Very high | 94.4 | Very high | 44 Ų | 44 | 60.6 Ų | 60.6 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.3 | -32 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K845 V846 F847 T870 | K845-A849 WeakPolarHBondContact O-CB 3.28Å; K845-A849 PolarHBondContact O-N 2.89Å; V846-A849 WeakPolarHBondContact O-CB 3.28Å; V846-A849 PolarHBondContact O-N 3.41Å; F847-A849 PolarHBondContact O-N 3.47Å; A849-T870 HydrophobicContact CB-CG2 4Å |
| 850 | Y | 95.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -78.9 | -23.6 | 177.1 | -84.7 | -78.8 | 0 | 0 | 0 | 114 | P765 W766 V846 F847 A848 D852 M853 L866 Y867 T870 | P765-Y850 HydrophobicContact CB-CD1 3.78Å; P765-Y850 HydrophobicContact CB-CE1 4.05Å; W766-Y850 HydrophobicContact CB-CD2 4.46Å; W766-Y850 HydrophobicContact CB-CE1 4.27Å; W766-Y850 HydrophobicContact CB-CE2 4.07Å; W766-Y850 HydrophobicContact CD2-CD2 4.5Å; W766-Y850 AromaticContact CE3-CD1 4Å; W766-Y850 HydrophobicContact CE3-CD1 4Å; W766-Y850 AromaticContact CE3-CD2 3.64Å; W766-Y850 HydrophobicContact CE3-CD2 3.64Å; W766-Y850 HydrophobicContact CE3-CE2 4.39Å; W766-Y850 AromaticContact CE3-CG 3.42Å; W766-Y850 HydrophobicContact CE3-CG 3.42Å; W766-Y850 VanDerWaalsContact CE3-CG 3.42Å; W766-Y850 HydrophobicContact CZ3-CD2 4.28Å; W766-Y850 AromaticContact CZ3-CG 3.94Å; W766-Y850 HydrophobicContact CZ3-CG 3.94Å; V846-Y850 HydrophobicContact CG1-CD2 4.04Å; V846-Y850 HydrophobicContact CG1-CE2 3.9Å; V846-Y850 VanDerWaalsContact O-CD2 3.3Å; V846-Y850 WeakPolarHBondContact O-CD2 3.18Å; V846-Y850 PolarHBondContact O-N 3.46Å; F847-Y850 PolarHBondContact O-N 3Å; A848-Y850 PolarHBondContact O-N 3.41Å; Y850-D852 PolarHBondContact O-N 3Å; Y850-M853 HydrophobicContact CD1-CE 4.05Å; Y850-M853 HydrophobicContact CD1-SD 3.78Å; Y850-M853 HydrophobicContact CE1-CE 4.16Å; Y850-M853 HydrophobicContact CE1-SD 3.86Å; Y850-M853 HydrophobicContact CG-CE 4.49Å; Y850-M853 PolarHBondContact O-N 3.21Å; Y850-L866 HydrophobicContact CE1-CD2 4.16Å; Y850-L866 HydrophobicContact CE1-CG 4.46Å; Y850-Y867 AromaticContact CE2-CD2 4Å; Y850-Y867 HydrophobicContact CE2-CD2 4Å; Y850-Y867 HydrophobicContact CE2-CE2 4.47Å; Y850-Y867 VanDerWaalsContact OH-CA 3.24Å; Y850-Y867 WeakPolarHBondContact OH-CA 3.24Å; Y850-Y867 PolarHBondContact OH-N 2.92Å; Y850-T870 HydrophobicContact CD2-CG2 4.27Å; Y850-T870 HydrophobicContact CE2-CG2 3.94Å |
| 851 | H | 92.3 | Very high | 94 | Very high | 77 Ų | 77 | 66.7 Ų | 66.7 | 36% | 0.356 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.6 | -33.9 | 175.5 | -70.6 | -45.8 | 0 | 0 | 0 | 112 | A700 V701 F847 A848 | A700-H851 PolarHBondContact O-NE2 3.31Å; V701-H851 PolarHBondContact O-CD2 3.13Å; V701-H851 PolarHBondContact O-NE2 2.54Å; F847-H851 PolarHBondContact O-CD2 3.01Å; F847-H851 PolarHBondContact O-N 2.65Å; A848-H851 WeakPolarHBondContact O-CB 3.47Å; A848-H851 PolarHBondContact O-N 3.49Å; A848-H851 VanDerWaalsContact O-N 3.08Å |
| 852 | D | 88.3 | Confident | 93.9 | Very high | 140 Ų | 140 | 62.1 Ų | 62.1 | 75% | 0.749 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -4.1 | 179.4 | -62 | -35.1 | 0 | 0 | 0 | 113.2 | Y850 T854 | Y850-D852 PolarHBondContact O-N 3Å; D852-T854 PolarHBondContact O-N 2.8Å |
| 853 | M | 92 | Very high | 93.9 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | trans | -83.9 | 111.7 | -172.7 | -168.1 | -179.8 | -67.8 | 0 | 0 | 111.9 | Y850 H856 L866 | Y850-M853 HydrophobicContact CD1-CE 4.05Å; Y850-M853 HydrophobicContact CD1-SD 3.78Å; Y850-M853 HydrophobicContact CE1-CE 4.16Å; Y850-M853 HydrophobicContact CE1-SD 3.86Å; Y850-M853 HydrophobicContact CG-CE 4.49Å; Y850-M853 PolarHBondContact O-N 3.21Å; M853-H856 HydrophobicContact SD-CB 4.16Å; M853-L866 HydrophobicContact CE-CD1 4.18Å; M853-L866 HydrophobicContact CE-CD2 4.49Å; M853-L866 HydrophobicContact SD-CD1 4.24Å; M853-L866 HydrophobicContact SD-CD2 3.64Å; M853-L866 HydrophobicContact SD-CG 4.31Å | ||
| 854 | T | 86.2 | Confident | 93.9 | Very high | 140 Ų | 140 | 62.7 Ų | 62.7 | 86% | 0.859 | 34% | 0.336 | S | S | * | . | trans | -96 | -21.7 | -178.4 | 54.5 | 0 | 0 | 0 | 0 | 114 | D852 | D852-T854 PolarHBondContact O-N 2.8Š| ||
| 855 | N | 88.1 | Confident | 93.8 | Very high | 143 Ų | 143 | 61.2 Ų | 61.2 | 77% | 0.765 | 33% | 0.33 | S | S | * | . | trans | -119.1 | 105.5 | -179.9 | -170.8 | 16.9 | 0 | 0 | 0 | 110.1 | ||||
| 856 | H | 91.1 | Very high | 93.8 | Very high | 46 Ų | 46 | 56.5 Ų | 56.5 | 21% | 0.213 | 31% | 0.31 | C | S | . | . | trans | -135.1 | 151.4 | 176.6 | 63.7 | 71.7 | 0 | 0 | 0 | 110.4 | M853 L866 | M853-H856 HydrophobicContact SD-CB 4.16Å; H856-L866 HydrophobicContact CB-CD2 3.77Å | ||
| 857 | P | 92.3 | Very high | 93.8 | Very high | 43 Ų | 43 | 56.7 Ų | 56.7 | 28% | 0.279 | 31% | 0.311 | S | S | . | . | trans | -58.7 | 150.4 | 172.8 | -24.8 | 36.2 | 0 | 0 | 0 | 112 | K863 L866 | P857-K863 HydrophobicContact CB-CG 4.32Å; P857-K863 WeakPolarHBondContact O-CE 3.32Å; P857-K863 VanDerWaalsContact O-CG 3.28Å; P857-K863 WeakPolarHBondContact O-CG 3.44Å; P857-L866 VanDerWaalsContact CD-CD2 3.49Å | ||
| 858 | N | 89.6 | Confident | 93.9 | Very high | 135 Ų | 135 | 56.5 Ų | 56.5 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -99.9 | -22 | 174.1 | -72.7 | -44.5 | 0 | 0 | 0 | 112.1 | ||
| 859 | D | 93.6 | Very high | 93.9 | Very high | 89 Ų | 89 | 56.3 Ų | 56.3 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -81.8 | 156.8 | 174.6 | 71 | 95.9 | 0 | 0 | 0 | 111.9 | E861 G862 K863 | D859-E861 PolarHBondContact OD1-N 3.02Å; D859-G862 PolarHBondContact OD1-N 3.29Å; D859-K863 VanDerWaalsContact O-CG 3.3Å; D859-K863 WeakPolarHBondContact O-CG 3.37Å; D859-K863 PolarHBondContact O-N 3.17Å |
| 860 | K | 93.7 | Very high | 94 | Very high | 87 Ų | 87 | 55 Ų | 55 | 38% | 0.378 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | -173.6 | -164.3 | -164 | -47.3 | -170.6 | 0 | 112.6 | F768 H771 K863 M864 | F768-K860 HydrophobicContact CB-CG 3.95Å; H771-K860 PolarHBondContact NE2-NZ 3.07Å; K860-K863 PolarHBondContact O-N 2.87Å; K860-M864 HydrophobicContact CD-SD 4.33Å; K860-M864 HydrophobicContact CG-SD 4.18Å; K860-M864 WeakPolarHBondContact O-CG 3.3Å; K860-M864 PolarHBondContact O-N 3.11Å |
| 861 | E | 94.8 | Very high | 94.2 | Very high | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | -174 | -178.5 | 176.5 | 164.3 | 0 | 0 | 111.1 | D859 K863 M864 N865 P889 Q891 | D859-E861 PolarHBondContact OD1-N 3.02Å; E861-K863 VanDerWaalsContact C-N 3.32Å; E861-K863 PolarHBondContact O-N 3.08Å; E861-M864 PolarHBondContact O-N 2.81Å; E861-N865 PolarHBondContact O-N 3.12Å; E861-N865 PolarHBondContact O-ND2 2.53Å; E861-P889 HydrophobicContact CB-CG 4.47Å; E861-P889 HydrophobicContact CG-CB 4.2Å; E861-P889 HydrophobicContact CG-CG 3.94Å; E861-Q891 PolarHBondContact OE1-NE2 2.95Å |
| 862 | G | 96.2 | Very high | 94.5 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | D859 N865 L866 | D859-G862 PolarHBondContact OD1-N 3.29Å; G862-N865 PolarHBondContact O-N 2.73Å; G862-L866 WeakPolarHBondContact O-CB 3.22Å; G862-L866 PolarHBondContact O-N 2.96Å |
| 863 | K | 96.9 | Very high | 94.9 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 177.5 | -73.5 | -178.2 | 179.1 | -172.9 | 0 | 113.1 | S764 F768 P857 D859 K860 E861 L866 Y867 | S764-K863 PolarHBondContact O-NZ 3.44Å; S764-K863 PolarHBondContact OG-NZ 3.35Å; F768-K863 HydrophobicContact CD1-CB 3.74Å; F768-K863 HydrophobicContact CD1-CD 4.45Å; F768-K863 HydrophobicContact CE1-CB 3.65Å; P857-K863 HydrophobicContact CB-CG 4.32Å; P857-K863 WeakPolarHBondContact O-CE 3.32Å; P857-K863 VanDerWaalsContact O-CG 3.28Å; P857-K863 WeakPolarHBondContact O-CG 3.44Å; D859-K863 VanDerWaalsContact O-CG 3.3Å; D859-K863 WeakPolarHBondContact O-CG 3.37Å; D859-K863 PolarHBondContact O-N 3.17Å; K860-K863 PolarHBondContact O-N 2.87Å; E861-K863 VanDerWaalsContact C-N 3.32Å; E861-K863 PolarHBondContact O-N 3.08Å; K863-L866 PolarHBondContact O-N 3.4Å; K863-Y867 WeakPolarHBondContact O-CB 3.43Å; K863-Y867 PolarHBondContact O-N 3.3Å |
| 864 | M | 97.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 177 | -69.8 | 174.6 | 78.4 | 0 | 0 | 111.9 | F768 L819 K860 E861 Y867 A868 W888 P889 | F768-M864 HydrophobicContact CB-CG 4.45Å; F768-M864 HydrophobicContact CD1-CG 3.99Å; F768-M864 HydrophobicContact CD2-CG 3.84Å; F768-M864 HydrophobicContact CE1-CG 4.25Å; F768-M864 HydrophobicContact CE2-CG 4.09Å; F768-M864 HydrophobicContact CG-CG 3.81Å; F768-M864 HydrophobicContact CZ-CG 4.3Å; L819-M864 HydrophobicContact CD1-CE 3.81Å; L819-M864 HydrophobicContact CD2-CE 4.18Å; L819-M864 HydrophobicContact CD2-SD 4.26Å; K860-M864 HydrophobicContact CD-SD 4.33Å; K860-M864 HydrophobicContact CG-SD 4.18Å; K860-M864 WeakPolarHBondContact O-CG 3.3Å; K860-M864 PolarHBondContact O-N 3.11Å; E861-M864 PolarHBondContact O-N 2.81Å; M864-Y867 PolarHBondContact O-N 3.31Å; M864-A868 PolarHBondContact O-N 3.47Å; M864-W888 HydrophobicContact CB-CE3 3.83Å; M864-W888 HydrophobicContact CB-CZ3 4.11Å; M864-W888 HydrophobicContact CE-CB 3.7Å; M864-W888 VanDerWaalsContact CE-CD1 3.47Å; M864-W888 HydrophobicContact CE-CD2 3.24Å; M864-W888 HydrophobicContact CE-CE3 3.79Å; M864-W888 HydrophobicContact CE-CG 3.2Å; M864-W888 HydrophobicContact CE-CZ2 4.36Å; M864-W888 HydrophobicContact CG-CE3 4.28Å; M864-W888 HydrophobicContact CG-CZ3 4.42Å; M864-P889 HydrophobicContact SD-CG 4.31Å |
| 865 | N | 98 | Very high | 95.7 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.032 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 175 | -82.9 | -87.2 | 0 | 0 | 0 | 112.1 | E861 G862 Y867 A868 E869 P889 I890 Q891 T894 | E861-N865 PolarHBondContact O-N 3.12Å; E861-N865 PolarHBondContact O-ND2 2.53Å; G862-N865 PolarHBondContact O-N 2.73Å; N865-Y867 VanDerWaalsContact C-N 3.34Å; N865-Y867 PolarHBondContact O-N 2.66Å; N865-A868 PolarHBondContact O-N 3.18Å; N865-E869 PolarHBondContact O-N 2.88Å; N865-P889 PolarHBondContact ND2-O 3.09Å; N865-I890 WeakPolarHBondContact OD1-CA 3.46Å; N865-Q891 PolarHBondContact OD1-N 3.08Å; N865-T894 HydrophobicContact CB-CG2 4.47Å; N865-T894 WeakPolarHBondContact OD1-CB 3.36Å; N865-T894 PolarHBondContact OD1-OG1 2.97Å |
| 866 | L | 97.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.1 | 176.4 | 61.7 | 0 | 0 | 0 | 111.2 | Y850 M853 H856 P857 G862 K863 A868 E869 T870 | Y850-L866 HydrophobicContact CE1-CD2 4.16Å; Y850-L866 HydrophobicContact CE1-CG 4.46Å; M853-L866 HydrophobicContact CE-CD1 4.18Å; M853-L866 HydrophobicContact CE-CD2 4.49Å; M853-L866 HydrophobicContact SD-CD1 4.24Å; M853-L866 HydrophobicContact SD-CD2 3.64Å; M853-L866 HydrophobicContact SD-CG 4.31Å; H856-L866 HydrophobicContact CB-CD2 3.77Å; P857-L866 VanDerWaalsContact CD-CD2 3.49Å; G862-L866 WeakPolarHBondContact O-CB 3.22Å; G862-L866 PolarHBondContact O-N 2.96Å; K863-L866 PolarHBondContact O-N 3.4Å; L866-A868 VanDerWaalsContact C-N 3.35Å; L866-A868 PolarHBondContact O-N 2.76Å; L866-E869 PolarHBondContact O-N 3.19Å; L866-T870 WeakPolarHBondContact O-CB 3.21Å; L866-T870 PolarHBondContact O-N 3.04Å; L866-T870 PolarHBondContact O-OG1 3.04Å |
| 867 | Y | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 1% | 0.012 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 177.1 | -170.8 | -89.6 | 0 | 0 | 0 | 111.9 | W766 F768 Y831 V846 Y850 K863 M864 N865 E869 T870 F871 F883 W888 | W766-Y867 HydrophobicContact CB-CD2 4.04Å; W766-Y867 HydrophobicContact CB-CE2 4.31Å; F768-Y867 HydrophobicContact CZ-CD2 4.26Å; F768-Y867 HydrophobicContact CZ-CG 4.02Å; Y831-Y867 HydrophobicContact CD1-CE1 4.41Å; Y831-Y867 AromaticContact CE1-CE1 3.85Å; Y831-Y867 HydrophobicContact CE1-CE1 3.85Å; Y831-Y867 AromaticContact CE1-CZ 3.72Å; Y831-Y867 WeakPolarHBondContact CE1-OH 3.42Å; V846-Y867 HydrophobicContact CG1-CE2 4Å; Y850-Y867 AromaticContact CE2-CD2 4Å; Y850-Y867 HydrophobicContact CE2-CD2 4Å; Y850-Y867 HydrophobicContact CE2-CE2 4.47Å; Y850-Y867 VanDerWaalsContact OH-CA 3.24Å; Y850-Y867 WeakPolarHBondContact OH-CA 3.24Å; Y850-Y867 PolarHBondContact OH-N 2.92Å; K863-Y867 WeakPolarHBondContact O-CB 3.43Å; K863-Y867 PolarHBondContact O-N 3.3Å; M864-Y867 PolarHBondContact O-N 3.31Å; N865-Y867 VanDerWaalsContact C-N 3.34Å; N865-Y867 PolarHBondContact O-N 2.66Å; Y867-E869 VanDerWaalsContact C-N 3.33Å; Y867-E869 PolarHBondContact O-N 3.49Å; Y867-T870 PolarHBondContact O-N 2.87Å; Y867-F871 AromaticContact CE1-CD2 3.75Å; Y867-F871 HydrophobicContact CE1-CD2 3.75Å; Y867-F871 AromaticContact CZ-CD2 3.81Å; Y867-F871 VanDerWaalsContact O-CB 3.32Å; Y867-F871 WeakPolarHBondContact O-CB 3.29Å; Y867-F871 PolarHBondContact O-N 3.36Å; Y867-F883 HydrophobicContact CD1-CE1 4.39Å; Y867-F883 HydrophobicContact CD1-CZ 4.1Å; Y867-F883 HydrophobicContact CE1-CE1 4.45Å; Y867-F883 HydrophobicContact CE1-CZ 4.16Å; Y867-W888 AromaticContact CD1-CH2 3.84Å; Y867-W888 HydrophobicContact CD1-CH2 3.84Å; Y867-W888 AromaticContact CD1-CZ3 3.96Å; Y867-W888 HydrophobicContact CD1-CZ3 3.96Å; Y867-W888 HydrophobicContact CE1-CH2 4.39Å |
| 868 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.6 | -42 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | M864 N865 L866 S872 F883 I890 | M864-A868 PolarHBondContact O-N 3.47Å; N865-A868 PolarHBondContact O-N 3.18Å; L866-A868 VanDerWaalsContact C-N 3.35Å; L866-A868 PolarHBondContact O-N 2.76Å; A868-S872 WeakPolarHBondContact O-CB 3.2Å; A868-S872 PolarHBondContact O-N 2.86Å; A868-S872 PolarHBondContact O-OG 2.96Å; A868-F883 HydrophobicContact CB-CD2 3.46Å; A868-F883 VanDerWaalsContact CB-CD2 3.46Å; A868-F883 HydrophobicContact CB-CE2 3.76Å; A868-F883 HydrophobicContact CB-CG 4.21Å; A868-I890 HydrophobicContact CB-CD1 3.73Å |
| 869 | E | 97.9 | Very high | 97.2 | Very high | 29 Ų | 29 | 32.6 Ų | 32.6 | 14% | 0.136 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -54 | 174.3 | -178 | 173.4 | 178.7 | 0 | 0 | 111.8 | N865 L866 Y867 F871 S872 R873 T894 K897 L898 | N865-E869 PolarHBondContact O-N 2.88Å; L866-E869 PolarHBondContact O-N 3.19Å; Y867-E869 VanDerWaalsContact C-N 3.33Å; Y867-E869 PolarHBondContact O-N 3.49Å; E869-F871 PolarHBondContact O-N 2.87Å; E869-S872 PolarHBondContact O-N 2.84Å; E869-R873 WeakPolarHBondContact O-CG 3.39Å; E869-R873 PolarHBondContact O-N 3.39Å; E869-R873 IonicContact OE1-CZ 3.91Å; E869-R873 IonicContact OE1-NE 2.65Å; E869-R873 PolarHBondContact OE1-NE 3.01Å; E869-R873 VanDerWaalsContact OE1-NE 3.08Å; E869-R873 IonicContact OE1-NH2 2.7Å; E869-R873 PolarHBondContact OE1-NH2 3.05Å; E869-T894 HydrophobicContact CB-CG2 4.34Å; E869-K897 VanDerWaalsContact OE2-CD 3.3Å; E869-K897 WeakPolarHBondContact OE2-CD 3.43Å; E869-K897 IonicContact OE2-NZ 3.45Å; E869-K897 PolarHBondContact OE2-NZ 3.42Å; E869-L898 HydrophobicContact CG-CD2 4.15Å |
| 870 | T | 97.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 10% | 0.098 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -46 | -178.3 | -59 | 0 | 0 | 0 | 0 | 111.4 | V846 A849 Y850 L866 Y867 R873 A874 | V846-T870 HydrophobicContact CG1-CG2 4.18Å; A849-T870 HydrophobicContact CB-CG2 4Å; Y850-T870 HydrophobicContact CD2-CG2 4.27Å; Y850-T870 HydrophobicContact CE2-CG2 3.94Å; L866-T870 WeakPolarHBondContact O-CB 3.21Å; L866-T870 PolarHBondContact O-N 3.04Å; L866-T870 PolarHBondContact O-OG1 3.04Å; Y867-T870 PolarHBondContact O-N 2.87Å; T870-R873 PolarHBondContact O-N 3.48Å; T870-A874 WeakPolarHBondContact O-CB 3.46Å; T870-A874 PolarHBondContact O-N 3.2Å |
| 871 | F | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -45.5 | 178.8 | -151.1 | -59.7 | 0 | 0 | 0 | 111.2 | L834 F838 A842 F843 V846 Y867 E869 R873 A874 V875 L879 | L834-F871 HydrophobicContact CB-CE1 4.28Å; L834-F871 HydrophobicContact CB-CE2 4.33Å; L834-F871 HydrophobicContact CB-CZ 3.8Å; L834-F871 HydrophobicContact CD1-CD2 4.1Å; L834-F871 HydrophobicContact CD1-CE1 4.46Å; L834-F871 HydrophobicContact CD1-CE2 3.85Å; L834-F871 HydrophobicContact CD1-CZ 4.05Å; L834-F871 HydrophobicContact CD2-CE1 4.24Å; L834-F871 HydrophobicContact CD2-CZ 4.49Å; L834-F871 HydrophobicContact CG-CZ 4.34Å; F838-F871 AromaticContact CD2-CE1 3.88Å; F838-F871 HydrophobicContact CD2-CE1 3.88Å; F838-F871 HydrophobicContact CE2-CE1 4.45Å; A842-F871 HydrophobicContact CB-CE1 4.13Å; A842-F871 HydrophobicContact CB-CZ 4.17Å; F843-F871 HydrophobicContact CD1-CE2 4.28Å; F843-F871 HydrophobicContact CD2-CE2 4.27Å; F843-F871 HydrophobicContact CD2-CZ 4.05Å; F843-F871 HydrophobicContact CE1-CE2 4.02Å; F843-F871 AromaticContact CE2-CE2 3.98Å; F843-F871 HydrophobicContact CE2-CE2 3.98Å; F843-F871 AromaticContact CE2-CZ 3.76Å; F843-F871 HydrophobicContact CE2-CZ 3.76Å; F843-F871 HydrophobicContact CG-CE2 4.4Å; F843-F871 AromaticContact CZ-CE2 3.85Å; F843-F871 HydrophobicContact CZ-CE2 3.85Å; F843-F871 HydrophobicContact CZ-CZ 4.07Å; V846-F871 HydrophobicContact CB-CD2 4.46Å; V846-F871 HydrophobicContact CG1-CD2 4.39Å; V846-F871 HydrophobicContact CG2-CB 4.07Å; V846-F871 HydrophobicContact CG2-CD1 4.39Å; V846-F871 HydrophobicContact CG2-CD2 3.68Å; V846-F871 HydrophobicContact CG2-CE2 4.15Å; V846-F871 HydrophobicContact CG2-CG 3.8Å; Y867-F871 AromaticContact CE1-CD2 3.75Å; Y867-F871 HydrophobicContact CE1-CD2 3.75Å; Y867-F871 AromaticContact CZ-CD2 3.81Å; Y867-F871 VanDerWaalsContact O-CB 3.32Å; Y867-F871 WeakPolarHBondContact O-CB 3.29Å; Y867-F871 PolarHBondContact O-N 3.36Å; E869-F871 PolarHBondContact O-N 2.87Å; F871-R873 VanDerWaalsContact C-N 3.3Å; F871-R873 PolarHBondContact O-N 2.98Å; F871-A874 WeakPolarHBondContact O-CB 3.17Å; F871-A874 PolarHBondContact O-N 2.72Å; F871-A874 VanDerWaalsContact O-N 3.1Å; F871-V875 HydrophobicContact CD1-CG1 3.88Å; F871-V875 HydrophobicContact CD1-CG2 4.36Å; F871-V875 HydrophobicContact CE1-CG1 3.65Å; F871-V875 WeakPolarHBondContact O-CG2 3.19Å; F871-V875 PolarHBondContact O-N 2.83Å; F871-V875 VanDerWaalsContact O-N 3.11Å; F871-L879 HydrophobicContact CB-CD1 4.02Å; F871-L879 HydrophobicContact CD1-CD1 3.39Å; F871-L879 HydrophobicContact CE1-CD1 4.2Å; F871-L879 HydrophobicContact CG-CD1 3.97Å |
| 872 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 178.7 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | A868 E869 V875 N876 M877 L879 | A868-S872 WeakPolarHBondContact O-CB 3.2Å; A868-S872 PolarHBondContact O-N 2.86Å; A868-S872 PolarHBondContact O-OG 2.96Å; E869-S872 PolarHBondContact O-N 2.84Å; S872-V875 PolarHBondContact O-N 3.46Å; S872-N876 WeakPolarHBondContact O-CA 3.47Å; S872-N876 PolarHBondContact O-N 2.5Å; S872-M877 CarbonylContact C-O 3.57Å; S872-M877 WeakPolarHBondContact CA-O 3.27Å; S872-M877 WeakPolarHBondContact CB-O 3.16Å; S872-M877 PolarHBondContact O-N 3.43Å; S872-M877 PolarHBondContact OG-O 3.38Å; S872-L879 WeakPolarHBondContact OG-CB 3.27Å; S872-L879 PolarHBondContact OG-N 3.06Å |
| 873 | R | 97.8 | Very high | 97.9 | Very high | 109 Ų | 109 | 21.4 Ų | 21.4 | 41% | 0.411 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -66.7 | -39.6 | 176.1 | -67.8 | -172.1 | -171.2 | -62.4 | -5.3 | 112.2 | E869 T870 F871 V875 N876 K897 L898 | E869-R873 WeakPolarHBondContact O-CG 3.39Å; E869-R873 PolarHBondContact O-N 3.39Å; E869-R873 IonicContact OE1-CZ 3.91Å; E869-R873 IonicContact OE1-NE 2.65Å; E869-R873 PolarHBondContact OE1-NE 3.01Å; E869-R873 VanDerWaalsContact OE1-NE 3.08Å; E869-R873 IonicContact OE1-NH2 2.7Å; E869-R873 PolarHBondContact OE1-NH2 3.05Å; T870-R873 PolarHBondContact O-N 3.48Å; F871-R873 VanDerWaalsContact C-N 3.3Å; F871-R873 PolarHBondContact O-N 2.98Å; R873-V875 PolarHBondContact O-N 3.27Å; R873-N876 PolarHBondContact O-N 3.49Å; R873-K897 PolarHBondContact NH2-O 3.25Å; R873-L898 HydrophobicContact CG-CD2 4.03Å |
| 874 | A | 97.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 24.6 Ų | 24.6 | 22% | 0.215 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63 | -30.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K845 V846 T870 F871 | K845-A874 HydrophobicContact CB-CB 4.08Å; V846-A874 HydrophobicContact CG2-CB 3.68Å; T870-A874 WeakPolarHBondContact O-CB 3.46Å; T870-A874 PolarHBondContact O-N 3.2Å; F871-A874 WeakPolarHBondContact O-CB 3.17Å; F871-A874 PolarHBondContact O-N 2.72Å; F871-A874 VanDerWaalsContact O-N 3.1Å |
| 875 | V | 97.9 | Very high | 97.8 | Very high | 30 Ų | 30 | 25.3 Ų | 25.3 | 18% | 0.182 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -105.7 | 2.6 | 179.7 | -54.4 | 0 | 0 | 0 | 0 | 114.2 | F838 A842 F871 S872 R873 M877 L879 | F838-V875 HydrophobicContact CB-CG1 3.95Å; F838-V875 HydrophobicContact CD1-CB 3.78Å; F838-V875 HydrophobicContact CD1-CG1 3.85Å; F838-V875 HydrophobicContact CD1-CG2 4.16Å; F838-V875 HydrophobicContact CD2-CG1 4.16Å; F838-V875 HydrophobicContact CE1-CB 3.94Å; F838-V875 HydrophobicContact CE1-CG1 4.4Å; F838-V875 HydrophobicContact CE1-CG2 3.85Å; F838-V875 HydrophobicContact CE2-CG2 4.33Å; F838-V875 HydrophobicContact CG-CB 4.17Å; F838-V875 HydrophobicContact CG-CG1 3.72Å; F838-V875 HydrophobicContact CZ-CB 4.48Å; F838-V875 HydrophobicContact CZ-CG2 3.96Å; A842-V875 HydrophobicContact CB-CG1 3.63Å; F871-V875 HydrophobicContact CD1-CG1 3.88Å; F871-V875 HydrophobicContact CD1-CG2 4.36Å; F871-V875 HydrophobicContact CE1-CG1 3.65Å; F871-V875 WeakPolarHBondContact O-CG2 3.19Å; F871-V875 PolarHBondContact O-N 2.83Å; F871-V875 VanDerWaalsContact O-N 3.11Å; S872-V875 PolarHBondContact O-N 3.46Å; R873-V875 PolarHBondContact O-N 3.27Å; V875-M877 HydrophobicContact CG2-CB 4.09Å; V875-M877 PolarHBondContact O-N 3.45Å; V875-L879 HydrophobicContact CG2-CD1 4.07Å; V875-L879 HydrophobicContact CG2-CD2 4.33Å; V875-L879 HydrophobicContact CG2-CG 4.36Å |
| 876 | N | 97.6 | Very high | 97.8 | Very high | 109 Ų | 109 | 25 Ų | 25 | 58% | 0.583 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40 | -177.5 | -163.2 | 51.9 | 0 | 0 | 0 | 113.5 | S872 R873 L901 P902 | S872-N876 WeakPolarHBondContact O-CA 3.47Å; S872-N876 PolarHBondContact O-N 2.5Å; R873-N876 PolarHBondContact O-N 3.49Å; N876-L901 VanDerWaalsContact OD1-CD2 3.22Å; N876-L901 WeakPolarHBondContact OD1-CD2 3.19Å; N876-P902 WeakPolarHBondContact O-CD 3.36Å; N876-P902 WeakPolarHBondContact O-CG 3.49Å |
| 877 | M | 98.1 | Very high | 97.7 | Very high | 29 Ų | 29 | 24.9 Ų | 24.9 | 14% | 0.143 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -147.7 | 138.1 | 179 | -168.2 | 159.8 | 62.7 | 0 | 0 | 109.6 | F838 S872 V875 L879 P902 W904 | F838-M877 HydrophobicContact CE1-CE 3.24Å; F838-M877 HydrophobicContact CE2-CE 4.45Å; F838-M877 HydrophobicContact CZ-CE 3.13Å; S872-M877 CarbonylContact C-O 3.57Å; S872-M877 WeakPolarHBondContact CA-O 3.27Å; S872-M877 WeakPolarHBondContact CB-O 3.16Å; S872-M877 PolarHBondContact O-N 3.43Å; S872-M877 PolarHBondContact OG-O 3.38Å; V875-M877 HydrophobicContact CG2-CB 4.09Å; V875-M877 PolarHBondContact O-N 3.45Å; M877-L879 HydrophobicContact CE-CD2 4.31Å; M877-L879 PolarHBondContact O-N 3.32Å; M877-P902 CarbonylContact C-O 3.49Å; M877-P902 HydrophobicContact CG-CG 4.42Å; M877-P902 WeakPolarHBondContact CG-O 3.33Å; M877-W904 HydrophobicContact CE-CB 3.68Å; M877-W904 HydrophobicContact CE-CD2 3.87Å; M877-W904 HydrophobicContact CE-CE3 4.43Å; M877-W904 HydrophobicContact CE-CG 3.52Å; M877-W904 HydrophobicContact CG-CB 4.08Å; M877-W904 HydrophobicContact SD-CB 3.83Å; M877-W904 HydrophobicContact SD-CG 4.11Å |
| 878 | N | 98.1 | Very high | 97.7 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -76.2 | 111.9 | -179.9 | -173.2 | -21.6 | 0 | 0 | 0 | 110.7 | T880 L898 L901 P902 L903 W904 | N878-T880 WeakPolarHBondContact OD1-CB 3.34Å; N878-T880 WeakPolarHBondContact OD1-CG2 3.32Å; N878-T880 PolarHBondContact OD1-N 2.86Å; N878-T880 PolarHBondContact OD1-OG1 3.01Å; N878-L898 HydrophobicContact CB-CB 4.42Å; N878-L898 WeakPolarHBondContact ND2-CB 3.37Å; N878-L898 PolarHBondContact ND2-O 3.08Å; N878-L901 HydrophobicContact CB-CB 4.04Å; N878-P902 WeakPolarHBondContact CB-O 3.39Å; N878-P902 PolarHBondContact N-O 3.28Å; N878-L903 HydrophobicContact CB-CD2 4.01Å; N878-W904 PolarHBondContact O-N 2.97Å |
| 879 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -97.9 | 6.2 | -177.7 | -52.6 | 178.5 | 0 | 0 | 0 | 113.5 | L834 F838 F871 S872 V875 M877 G881 F882 F883 W904 | L834-L879 HydrophobicContact CD2-CD1 3.97Å; F838-L879 HydrophobicContact CE2-CD1 4.37Å; F838-L879 HydrophobicContact CE2-CD2 3.83Å; F838-L879 HydrophobicContact CZ-CD2 3.64Å; F871-L879 HydrophobicContact CB-CD1 4.02Å; F871-L879 HydrophobicContact CD1-CD1 3.39Å; F871-L879 HydrophobicContact CE1-CD1 4.2Å; F871-L879 HydrophobicContact CG-CD1 3.97Å; S872-L879 WeakPolarHBondContact OG-CB 3.27Å; S872-L879 PolarHBondContact OG-N 3.06Å; V875-L879 HydrophobicContact CG2-CD1 4.07Å; V875-L879 HydrophobicContact CG2-CD2 4.33Å; V875-L879 HydrophobicContact CG2-CG 4.36Å; M877-L879 HydrophobicContact CE-CD2 4.31Å; M877-L879 PolarHBondContact O-N 3.32Å; L879-G881 VanDerWaalsContact C-N 3.28Å; L879-G881 PolarHBondContact O-N 3.45Å; L879-F882 WeakPolarHBondContact O-CB 3.45Å; L879-F882 PolarHBondContact O-N 3.16Å; L879-F882 VanDerWaalsContact O-N 3.13Å; L879-F883 HydrophobicContact CB-CD2 3.88Å; L879-F883 HydrophobicContact CB-CE2 3.64Å; L879-F883 HydrophobicContact CD1-CE2 4.1Å; L879-F883 WeakPolarHBondContact O-CD2 3.33Å; L879-F883 PolarHBondContact O-N 3.2Å; L879-F883 VanDerWaalsContact O-N 3.09Å; L879-W904 HydrophobicContact CD2-CB 4.41Å; L879-W904 HydrophobicContact CD2-CD2 4.41Å; L879-W904 HydrophobicContact CD2-CE3 3.6Å; L879-W904 HydrophobicContact CD2-CZ3 4.28Å | ||
| 880 | T | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.1 | -40.3 | -176.3 | 61.1 | 0 | 0 | 0 | 0 | 112 | N878 F882 F883 K884 I890 T894 E895 L898 | N878-T880 WeakPolarHBondContact OD1-CB 3.34Å; N878-T880 WeakPolarHBondContact OD1-CG2 3.32Å; N878-T880 PolarHBondContact OD1-N 2.86Å; N878-T880 PolarHBondContact OD1-OG1 3.01Å; T880-F882 PolarHBondContact O-N 3.41Å; T880-F883 PolarHBondContact O-N 3.42Å; T880-K884 WeakPolarHBondContact O-CB 3.24Å; T880-K884 WeakPolarHBondContact O-CG 3.43Å; T880-K884 PolarHBondContact O-N 3.11Å; T880-I890 HydrophobicContact CG2-CG2 3.91Å; T880-T894 HydrophobicContact CG2-CG2 4.39Å; T880-E895 HydrophobicContact CG2-CB 4.47Å; T880-E895 HydrophobicContact CG2-CG 3.86Å; T880-L898 HydrophobicContact CG2-CD1 3.64Å |
| 881 | G | 97.4 | Very high | 97.6 | Very high | 33 Ų | 33 | 30 Ų | 30 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.1 | -45.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L879 K884 A885 | L879-G881 VanDerWaalsContact C-N 3.28Å; L879-G881 PolarHBondContact O-N 3.45Å; G881-K884 PolarHBondContact O-N 2.88Å; G881-A885 WeakPolarHBondContact O-CB 3.4Å; G881-A885 PolarHBondContact O-N 3.24Å |
| 882 | F | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -49.5 | 177.9 | 171.6 | -103.8 | 0 | 0 | 0 | 112.3 | T830 Q833 L834 L879 T880 K884 A885 W886 W904 H907 | T830-F882 HydrophobicContact CG2-CE1 3.75Å; T830-F882 HydrophobicContact CG2-CZ 3.97Å; T830-F882 WeakPolarHBondContact O-CZ 3.38Å; Q833-F882 HydrophobicContact CB-CE2 4.21Å; Q833-F882 HydrophobicContact CB-CZ 4.02Å; Q833-F882 VanDerWaalsContact OE1-CE2 3.24Å; L834-F882 HydrophobicContact CD1-CE1 4.16Å; L834-F882 HydrophobicContact CD2-CD1 3.93Å; L834-F882 HydrophobicContact CD2-CE1 3.64Å; L834-F882 HydrophobicContact CD2-CZ 4.31Å; L834-F882 HydrophobicContact CG-CD1 4.48Å; L834-F882 HydrophobicContact CG-CE1 3.72Å; L834-F882 HydrophobicContact CG-CZ 4.22Å; L879-F882 WeakPolarHBondContact O-CB 3.45Å; L879-F882 PolarHBondContact O-N 3.16Å; L879-F882 VanDerWaalsContact O-N 3.13Å; T880-F882 PolarHBondContact O-N 3.41Å; F882-K884 PolarHBondContact O-N 3.2Å; F882-A885 WeakPolarHBondContact O-CB 3.44Å; F882-A885 PolarHBondContact O-N 3.45Å; F882-A885 VanDerWaalsContact O-N 3.16Å; F882-W886 AromaticContact CD2-CD1 3.99Å; F882-W886 AromaticContact CE1-CD1 3.84Å; F882-W886 AromaticContact CE2-CD1 3.53Å; F882-W886 AromaticContact CE2-NE1 3.24Å; F882-W886 AromaticContact CZ-CD1 3.45Å; F882-W886 VanDerWaalsContact CZ-CD1 3.45Å; F882-W886 AromaticContact CZ-NE1 3.22Å; F882-W886 PolarHBondContact O-N 3.22Å; F882-W886 VanDerWaalsContact O-N 3.16Å; F882-W904 HydrophobicContact CB-CE3 4.01Å; F882-W904 HydrophobicContact CB-CZ3 4.27Å; F882-W904 HydrophobicContact CD1-CZ3 4.31Å; F882-W904 HydrophobicContact CD2-CE3 4.31Å; F882-W904 HydrophobicContact CD2-CH2 4.41Å; F882-W904 AromaticContact CD2-CZ3 3.82Å; F882-W904 HydrophobicContact CD2-CZ3 3.82Å; F882-W904 HydrophobicContact CE2-CH2 4.46Å; F882-W904 HydrophobicContact CE2-CZ3 4.16Å; F882-W904 HydrophobicContact CG-CE3 4.13Å; F882-W904 AromaticContact CG-CZ3 3.87Å; F882-W904 HydrophobicContact CG-CZ3 3.87Å; F882-H907 HydrophobicContact CB-CB 4.33Å; F882-H907 HydrophobicContact CD2-CB 3.91Å |
| 883 | F | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -38.3 | 179.4 | -70.6 | -64.3 | 0 | 0 | 0 | 111.9 | T830 L834 Y867 A868 L879 T880 A885 W886 G887 W888 I890 | T830-F883 HydrophobicContact CG2-CE1 4.42Å; L834-F883 HydrophobicContact CD1-CE1 4.06Å; L834-F883 HydrophobicContact CD1-CZ 3.83Å; Y867-F883 HydrophobicContact CD1-CE1 4.39Å; Y867-F883 HydrophobicContact CD1-CZ 4.1Å; Y867-F883 HydrophobicContact CE1-CE1 4.45Å; Y867-F883 HydrophobicContact CE1-CZ 4.16Å; A868-F883 HydrophobicContact CB-CD2 3.46Å; A868-F883 VanDerWaalsContact CB-CD2 3.46Å; A868-F883 HydrophobicContact CB-CE2 3.76Å; A868-F883 HydrophobicContact CB-CG 4.21Å; L879-F883 HydrophobicContact CB-CD2 3.88Å; L879-F883 HydrophobicContact CB-CE2 3.64Å; L879-F883 HydrophobicContact CD1-CE2 4.1Å; L879-F883 WeakPolarHBondContact O-CD2 3.33Å; L879-F883 PolarHBondContact O-N 3.2Å; L879-F883 VanDerWaalsContact O-N 3.09Å; T880-F883 PolarHBondContact O-N 3.42Å; F883-A885 VanDerWaalsContact C-N 3.32Å; F883-A885 PolarHBondContact O-N 3.39Å; F883-W886 CarbonylContact O-C 3.56Å; F883-W886 PolarHBondContact O-N 3.17Å; F883-W886 VanDerWaalsContact O-N 3.15Å; F883-G887 PolarHBondContact O-N 3.39Å; F883-W888 HydrophobicContact CB-CB 4.08Å; F883-W888 HydrophobicContact CB-CD2 4.15Å; F883-W888 HydrophobicContact CB-CE3 4.04Å; F883-W888 HydrophobicContact CB-CG 4.19Å; F883-W888 AromaticContact CD1-CD2 3.69Å; F883-W888 HydrophobicContact CD1-CD2 3.69Å; F883-W888 AromaticContact CD1-CE2 3.97Å; F883-W888 AromaticContact CD1-CE3 3.52Å; F883-W888 HydrophobicContact CD1-CE3 3.52Å; F883-W888 HydrophobicContact CD1-CG 4.42Å; F883-W888 AromaticContact CD1-CH2 3.9Å; F883-W888 HydrophobicContact CD1-CH2 3.9Å; F883-W888 HydrophobicContact CD1-CZ2 4.08Å; F883-W888 AromaticContact CD1-CZ3 3.63Å; F883-W888 HydrophobicContact CD1-CZ3 3.63Å; F883-W888 HydrophobicContact CE1-CE3 4.15Å; F883-W888 AromaticContact CE1-CH2 3.75Å; F883-W888 HydrophobicContact CE1-CH2 3.75Å; F883-W888 HydrophobicContact CE1-CZ2 4.16Å; F883-W888 AromaticContact CE1-CZ3 3.76Å; F883-W888 HydrophobicContact CE1-CZ3 3.76Å; F883-W888 HydrophobicContact CG-CD2 4.25Å; F883-W888 AromaticContact CG-CE3 3.89Å; F883-W888 HydrophobicContact CG-CE3 3.89Å; F883-W888 HydrophobicContact CG-CZ3 4.25Å; F883-W888 HydrophobicContact CZ-CZ3 4.46Å; F883-W888 VanDerWaalsContact O-CB 3.29Å; F883-W888 WeakPolarHBondContact O-CB 3.35Å; F883-W888 PolarHBondContact O-N 3.44Å; F883-I890 HydrophobicContact CB-CD1 3.91Å; F883-I890 HydrophobicContact CB-CG1 3.84Å |
| 884 | K | 96.8 | Very high | 97.4 | Very high | 84 Ų | 84 | 36.3 Ų | 36.3 | 37% | 0.365 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.8 | -40 | 171.3 | -76.4 | -176.1 | 173.8 | -174.6 | 0 | 112.1 | T880 G881 F882 W886 G887 I890 E895 | T880-K884 WeakPolarHBondContact O-CB 3.24Å; T880-K884 WeakPolarHBondContact O-CG 3.43Å; T880-K884 PolarHBondContact O-N 3.11Å; G881-K884 PolarHBondContact O-N 2.88Å; F882-K884 PolarHBondContact O-N 3.2Å; K884-W886 PolarHBondContact O-N 3.04Å; K884-G887 WeakPolarHBondContact O-CA 3.49Å; K884-G887 PolarHBondContact O-N 3.31Å; K884-I890 HydrophobicContact CD-CB 4.36Å; K884-I890 VanDerWaalsContact CE-O 3.28Å; K884-I890 WeakPolarHBondContact CE-O 3.49Å; K884-I890 HydrophobicContact CG-CB 3.74Å; K884-I890 HydrophobicContact CG-CG1 3.95Å; K884-E895 VanDerWaalsContact CE-OE1 3.28Å; K884-E895 WeakPolarHBondContact CE-OE1 3.47Å; K884-E895 IonicContact NZ-OE1 3.55Å; K884-E895 PolarHBondContact NZ-OE1 3Å; K884-E895 IonicContact NZ-OE2 2.68Å; K884-E895 PolarHBondContact NZ-OE2 3.49Å |
| 885 | A | 96.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -23.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | K817 G881 F882 F883 H907 M909 | K817-A885 WeakPolarHBondContact CD-O 3.47Å; G881-A885 WeakPolarHBondContact O-CB 3.4Å; G881-A885 PolarHBondContact O-N 3.24Å; F882-A885 WeakPolarHBondContact O-CB 3.44Å; F882-A885 PolarHBondContact O-N 3.45Å; F882-A885 VanDerWaalsContact O-N 3.16Å; F883-A885 VanDerWaalsContact C-N 3.32Å; F883-A885 PolarHBondContact O-N 3.39Å; A885-H907 VanDerWaalsContact CB-CE1 3.48Å; A885-H907 WeakPolarHBondContact CB-CE1 2.92Å; A885-M909 HydrophobicContact CB-CB 3.63Å; A885-M909 WeakPolarHBondContact O-CE 3.46Å |
| 886 | W | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 3.4 | 169.4 | -82.3 | 107.2 | 0 | 0 | 0 | 114.4 | I809 Y812 T826 E829 T830 Q833 F882 F883 K884 M909 | I809-W886 HydrophobicContact CG1-CH2 3.96Å; I809-W886 HydrophobicContact CG1-CZ2 4.4Å; Y812-W886 AromaticContact CD1-CE3 3.68Å; Y812-W886 HydrophobicContact CD1-CE3 3.68Å; Y812-W886 AromaticContact CD1-CZ3 3.67Å; Y812-W886 HydrophobicContact CD1-CZ3 3.67Å; Y812-W886 AromaticContact CE1-CE3 3.59Å; Y812-W886 HydrophobicContact CE1-CE3 3.59Å; Y812-W886 HydrophobicContact CE1-CZ3 4.06Å; Y812-W886 WeakPolarHBondContact CE1-O 3.32Å; Y812-W886 HydrophobicContact CG-CZ3 4.36Å; Y812-W886 PolarHBondContact OH-O 3.49Å; T826-W886 HydrophobicContact CG2-CZ3 3.98Å; E829-W886 HydrophobicContact CB-CH2 4.09Å; E829-W886 HydrophobicContact CB-CZ2 4.49Å; E829-W886 HydrophobicContact CG-CH2 3.88Å; E829-W886 HydrophobicContact CG-CZ2 4.06Å; T830-W886 HydrophobicContact CG2-CB 4.4Å; T830-W886 HydrophobicContact CG2-CD2 4.21Å; T830-W886 HydrophobicContact CG2-CG 3.86Å; Q833-W886 VanDerWaalsContact OE1-NE1 3.11Å; F882-W886 AromaticContact CD2-CD1 3.99Å; F882-W886 AromaticContact CE1-CD1 3.84Å; F882-W886 AromaticContact CE2-CD1 3.53Å; F882-W886 AromaticContact CE2-NE1 3.24Å; F882-W886 AromaticContact CZ-CD1 3.45Å; F882-W886 VanDerWaalsContact CZ-CD1 3.45Å; F882-W886 AromaticContact CZ-NE1 3.22Å; F882-W886 PolarHBondContact O-N 3.22Å; F882-W886 VanDerWaalsContact O-N 3.16Å; F883-W886 CarbonylContact O-C 3.56Å; F883-W886 PolarHBondContact O-N 3.17Å; F883-W886 VanDerWaalsContact O-N 3.15Å; K884-W886 PolarHBondContact O-N 3.04Å; W886-M909 HydrophobicContact CD2-CE 3.94Å; W886-M909 HydrophobicContact CD2-CG 4.11Å; W886-M909 HydrophobicContact CD2-SD 4.29Å; W886-M909 HydrophobicContact CE3-CE 4.04Å; W886-M909 HydrophobicContact CG-CE 4.47Å; W886-M909 HydrophobicContact CG-CG 4.28Å; W886-M909 HydrophobicContact CH2-CE 4.46Å; W886-M909 HydrophobicContact CH2-SD 4.19Å; W886-M909 HydrophobicContact CZ2-CE 4.36Å; W886-M909 HydrophobicContact CZ2-CG 3.97Å; W886-M909 HydrophobicContact CZ2-SD 3.77Å; W886-M909 HydrophobicContact CZ3-CE 4.29Å; W886-M909 VanDerWaalsContact NE1-CG 3.28Å |
| 887 | G | 95.8 | Very high | 97.3 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 26% | 0.258 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 15.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | F883 K884 | F883-G887 PolarHBondContact O-N 3.39Å; K884-G887 WeakPolarHBondContact O-CA 3.49Å; K884-G887 PolarHBondContact O-N 3.31Å |
| 888 | W | 97.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | trans | -73.1 | 140.9 | 175.2 | -71.4 | 25.2 | 0 | 0 | 0 | 111 | F768 W822 M864 Y867 F883 I890 | F768-W888 HydrophobicContact CD2-CH2 4.4Å; F768-W888 AromaticContact CE2-CH2 3.55Å; F768-W888 HydrophobicContact CE2-CH2 3.55Å; F768-W888 HydrophobicContact CE2-CZ2 4.06Å; F768-W888 HydrophobicContact CE2-CZ3 4.16Å; F768-W888 HydrophobicContact CZ-CH2 4.24Å; W822-W888 AromaticContact CE2-NE1 3.64Å; W822-W888 AromaticContact CH2-CZ2 3.63Å; W822-W888 HydrophobicContact CH2-CZ2 3.63Å; W822-W888 AromaticContact CZ2-CZ2 3.68Å; W822-W888 HydrophobicContact CZ2-CZ2 3.68Å; W822-W888 AromaticContact CZ2-NE1 3.7Å; W822-W888 HydrophobicContact CZ3-CZ2 4.39Å; M864-W888 HydrophobicContact CB-CE3 3.83Å; M864-W888 HydrophobicContact CB-CZ3 4.11Å; M864-W888 HydrophobicContact CE-CB 3.7Å; M864-W888 VanDerWaalsContact CE-CD1 3.47Å; M864-W888 HydrophobicContact CE-CD2 3.24Å; M864-W888 HydrophobicContact CE-CE3 3.79Å; M864-W888 HydrophobicContact CE-CG 3.2Å; M864-W888 HydrophobicContact CE-CZ2 4.36Å; M864-W888 HydrophobicContact CG-CE3 4.28Å; M864-W888 HydrophobicContact CG-CZ3 4.42Å; Y867-W888 AromaticContact CD1-CH2 3.84Å; Y867-W888 HydrophobicContact CD1-CH2 3.84Å; Y867-W888 AromaticContact CD1-CZ3 3.96Å; Y867-W888 HydrophobicContact CD1-CZ3 3.96Å; Y867-W888 HydrophobicContact CE1-CH2 4.39Å; F883-W888 HydrophobicContact CB-CB 4.08Å; F883-W888 HydrophobicContact CB-CD2 4.15Å; F883-W888 HydrophobicContact CB-CE3 4.04Å; F883-W888 HydrophobicContact CB-CG 4.19Å; F883-W888 AromaticContact CD1-CD2 3.69Å; F883-W888 HydrophobicContact CD1-CD2 3.69Å; F883-W888 AromaticContact CD1-CE2 3.97Å; F883-W888 AromaticContact CD1-CE3 3.52Å; F883-W888 HydrophobicContact CD1-CE3 3.52Å; F883-W888 HydrophobicContact CD1-CG 4.42Å; F883-W888 AromaticContact CD1-CH2 3.9Å; F883-W888 HydrophobicContact CD1-CH2 3.9Å; F883-W888 HydrophobicContact CD1-CZ2 4.08Å; F883-W888 AromaticContact CD1-CZ3 3.63Å; F883-W888 HydrophobicContact CD1-CZ3 3.63Å; F883-W888 HydrophobicContact CE1-CE3 4.15Å; F883-W888 AromaticContact CE1-CH2 3.75Å; F883-W888 HydrophobicContact CE1-CH2 3.75Å; F883-W888 HydrophobicContact CE1-CZ2 4.16Å; F883-W888 AromaticContact CE1-CZ3 3.76Å; F883-W888 HydrophobicContact CE1-CZ3 3.76Å; F883-W888 HydrophobicContact CG-CD2 4.25Å; F883-W888 AromaticContact CG-CE3 3.89Å; F883-W888 HydrophobicContact CG-CE3 3.89Å; F883-W888 HydrophobicContact CG-CZ3 4.25Å; F883-W888 HydrophobicContact CZ-CZ3 4.46Å; F883-W888 VanDerWaalsContact O-CB 3.29Å; F883-W888 WeakPolarHBondContact O-CB 3.35Å; F883-W888 PolarHBondContact O-N 3.44Å; W888-I890 HydrophobicContact CB-CD1 4.11Å; W888-I890 HydrophobicContact CB-CG1 4.16Å; W888-I890 HydrophobicContact CE3-CD1 4.29Å; W888-I890 PolarHBondContact O-N 3.24Å | ||
| 889 | P | 96.5 | Very high | 97.1 | Very high | 49 Ų | 49 | 44.2 Ų | 44.2 | 32% | 0.318 | 24% | 0.238 | S | C | . | . | trans | -77.9 | 65.2 | 179.4 | 33.7 | -36.4 | 0 | 0 | 0 | 111.3 | E861 M864 N865 Q891 | E861-P889 HydrophobicContact CB-CG 4.47Å; E861-P889 HydrophobicContact CG-CB 4.2Å; E861-P889 HydrophobicContact CG-CG 3.94Å; M864-P889 HydrophobicContact SD-CG 4.31Å; N865-P889 PolarHBondContact ND2-O 3.09Å; P889-Q891 PolarHBondContact O-N 3.39Å | ||
| 890 | I | 97.7 | Very high | 97 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | trans | -73.6 | 119.9 | 178.3 | -55.3 | -58 | 0 | 0 | 0 | 109.8 | N865 A868 T880 F883 K884 W888 T894 E895 | N865-I890 WeakPolarHBondContact OD1-CA 3.46Å; A868-I890 HydrophobicContact CB-CD1 3.73Å; T880-I890 HydrophobicContact CG2-CG2 3.91Å; F883-I890 HydrophobicContact CB-CD1 3.91Å; F883-I890 HydrophobicContact CB-CG1 3.84Å; K884-I890 HydrophobicContact CD-CB 4.36Å; K884-I890 VanDerWaalsContact CE-O 3.28Å; K884-I890 WeakPolarHBondContact CE-O 3.49Å; K884-I890 HydrophobicContact CG-CB 3.74Å; K884-I890 HydrophobicContact CG-CG1 3.95Å; W888-I890 HydrophobicContact CB-CD1 4.11Å; W888-I890 HydrophobicContact CB-CG1 4.16Å; W888-I890 HydrophobicContact CE3-CD1 4.29Å; W888-I890 PolarHBondContact O-N 3.24Å; I890-T894 HydrophobicContact CG2-CG2 4.29Å; I890-E895 HydrophobicContact CG2-CG 4.22Å | ||
| 891 | Q | 97.3 | Very high | 97 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | trans | -79.1 | 151.1 | -178.7 | -64 | 179.6 | -6.1 | 0 | 0 | 111.5 | E861 N865 P889 A893 T894 E895 | E861-Q891 PolarHBondContact OE1-NE2 2.95Å; N865-Q891 PolarHBondContact OD1-N 3.08Å; P889-Q891 PolarHBondContact O-N 3.39Å; Q891-A893 PolarHBondContact O-N 3.37Å; Q891-T894 WeakPolarHBondContact O-CB 3.2Å; Q891-T894 PolarHBondContact O-N 3.3Å; Q891-E895 PolarHBondContact O-N 3.07Å | ||
| 892 | R | 96.6 | Very high | 97 | Very high | 185 Ų | 185 | 52.3 Ų | 52.3 | 70% | 0.698 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -55.5 | -38.7 | 176.9 | -177.6 | 179.2 | 174.3 | 138.7 | 3.8 | 112.9 | T894 E895 E896 | R892-T894 PolarHBondContact O-N 2.96Å; R892-E895 WeakPolarHBondContact O-CB 3.1Å; R892-E895 PolarHBondContact O-N 3.1Å; R892-E895 VanDerWaalsContact O-N 3.08Å; R892-E896 HydrophobicContact CG-CG 4.37Å; R892-E896 WeakPolarHBondContact CG-OE1 3.5Å; R892-E896 IonicContact CZ-OE1 2.84Å; R892-E896 IonicContact NE-OE1 3.08Å; R892-E896 PolarHBondContact NE-OE1 2.76Å; R892-E896 IonicContact NH2-OE1 2.91Å; R892-E896 WeakPolarHBondContact O-CG 3.39Å; R892-E896 PolarHBondContact O-N 2.99Å |
| 893 | A | 96.8 | Very high | 96.9 | Very high | 50 Ų | 50 | 57.7 Ų | 57.7 | 41% | 0.413 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.7 | -35.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q891 K897 | Q891-A893 PolarHBondContact O-N 3.37Å; A893-K897 VanDerWaalsContact O-CG 3.29Å; A893-K897 WeakPolarHBondContact O-CG 3.11Å; A893-K897 PolarHBondContact O-N 3.28Å; A893-K897 VanDerWaalsContact O-N 3.11Å |
| 894 | T | 97.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 58.3 Ų | 58.3 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.5 | -38 | 175.9 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | N865 E869 T880 I890 Q891 R892 L898 | N865-T894 HydrophobicContact CB-CG2 4.47Å; N865-T894 WeakPolarHBondContact OD1-CB 3.36Å; N865-T894 PolarHBondContact OD1-OG1 2.97Å; E869-T894 HydrophobicContact CB-CG2 4.34Å; T880-T894 HydrophobicContact CG2-CG2 4.39Å; I890-T894 HydrophobicContact CG2-CG2 4.29Å; Q891-T894 WeakPolarHBondContact O-CB 3.2Å; Q891-T894 PolarHBondContact O-N 3.3Å; R892-T894 PolarHBondContact O-N 2.96Å; T894-L898 HydrophobicContact CG2-CD1 4.2Å; T894-L898 WeakPolarHBondContact O-CG 3.49Å; T894-L898 PolarHBondContact O-N 3.29Å |
| 895 | E | 96.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 59.7 Ų | 59.7 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 176.1 | -60.7 | 179.8 | 114.1 | 0 | 0 | 112 | T880 K884 I890 Q891 R892 K897 L898 S899 | T880-E895 HydrophobicContact CG2-CB 4.47Å; T880-E895 HydrophobicContact CG2-CG 3.86Å; K884-E895 VanDerWaalsContact CE-OE1 3.28Å; K884-E895 WeakPolarHBondContact CE-OE1 3.47Å; K884-E895 IonicContact NZ-OE1 3.55Å; K884-E895 PolarHBondContact NZ-OE1 3Å; K884-E895 IonicContact NZ-OE2 2.68Å; K884-E895 PolarHBondContact NZ-OE2 3.49Å; I890-E895 HydrophobicContact CG2-CG 4.22Å; Q891-E895 PolarHBondContact O-N 3.07Å; R892-E895 WeakPolarHBondContact O-CB 3.1Å; R892-E895 PolarHBondContact O-N 3.1Å; R892-E895 VanDerWaalsContact O-N 3.08Å; E895-K897 VanDerWaalsContact C-N 3.33Å; E895-K897 PolarHBondContact O-N 3.33Å; E895-L898 CarbonylContact O-C 3.52Å; E895-L898 PolarHBondContact O-N 2.93Å; E895-L898 VanDerWaalsContact O-N 3.16Å; E895-S899 PolarHBondContact O-N 3.3Å; E895-S899 VanDerWaalsContact O-N 3.1Å |
| 896 | E | 96.8 | Very high | 96.5 | Very high | 105 Ų | 105 | 64.4 Ų | 64.4 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 177.6 | -72.1 | 171.5 | 178.9 | 0 | 0 | 111.2 | R892 L898 S899 | R892-E896 HydrophobicContact CG-CG 4.37Å; R892-E896 WeakPolarHBondContact CG-OE1 3.5Å; R892-E896 IonicContact CZ-OE1 2.84Å; R892-E896 IonicContact NE-OE1 3.08Å; R892-E896 PolarHBondContact NE-OE1 2.76Å; R892-E896 IonicContact NH2-OE1 2.91Å; R892-E896 WeakPolarHBondContact O-CG 3.39Å; R892-E896 PolarHBondContact O-N 2.99Å; E896-L898 PolarHBondContact O-N 2.91Å; E896-S899 WeakPolarHBondContact O-CB 3.3Å; E896-S899 PolarHBondContact O-N 3.1Å; E896-S899 PolarHBondContact O-OG 3.41Å |
| 897 | K | 96.8 | Very high | 96.3 | Very high | 112 Ų | 112 | 65.3 Ų | 65.3 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19.4 | 175.7 | -78.9 | 178.6 | 176.5 | -176.5 | 0 | 115.5 | E869 R873 A893 E895 | E869-K897 VanDerWaalsContact OE2-CD 3.3Å; E869-K897 WeakPolarHBondContact OE2-CD 3.43Å; E869-K897 IonicContact OE2-NZ 3.45Å; E869-K897 PolarHBondContact OE2-NZ 3.42Å; R873-K897 PolarHBondContact NH2-O 3.25Å; A893-K897 VanDerWaalsContact O-CG 3.29Å; A893-K897 WeakPolarHBondContact O-CG 3.11Å; A893-K897 PolarHBondContact O-N 3.28Å; A893-K897 VanDerWaalsContact O-N 3.11Å; E895-K897 VanDerWaalsContact C-N 3.33Å; E895-K897 PolarHBondContact O-N 3.33Å |
| 898 | L | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 9.9 | -176.9 | -62.5 | 170.4 | 0 | 0 | 0 | 111.7 | E869 R873 N878 T880 T894 E895 E896 D900 L901 | E869-L898 HydrophobicContact CG-CD2 4.15Å; R873-L898 HydrophobicContact CG-CD2 4.03Å; N878-L898 HydrophobicContact CB-CB 4.42Å; N878-L898 WeakPolarHBondContact ND2-CB 3.37Å; N878-L898 PolarHBondContact ND2-O 3.08Å; T880-L898 HydrophobicContact CG2-CD1 3.64Å; T894-L898 HydrophobicContact CG2-CD1 4.2Å; T894-L898 WeakPolarHBondContact O-CG 3.49Å; T894-L898 PolarHBondContact O-N 3.29Å; E895-L898 CarbonylContact O-C 3.52Å; E895-L898 PolarHBondContact O-N 2.93Å; E895-L898 VanDerWaalsContact O-N 3.16Å; E896-L898 PolarHBondContact O-N 2.91Å; L898-D900 PolarHBondContact O-N 2.9Å; L898-L901 HydrophobicContact CD2-CD1 3.85Å; L898-L901 PolarHBondContact O-N 2.92Å; L898-L901 VanDerWaalsContact O-N 3.12Å |
| 899 | S | 96.1 | Very high | 96 | Very high | 95 Ų | 95 | 67.8 Ų | 67.8 | 66% | 0.664 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.8 | -175.5 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | E895 E896 L901 | E895-S899 PolarHBondContact O-N 3.3Å; E895-S899 VanDerWaalsContact O-N 3.1Å; E896-S899 WeakPolarHBondContact O-CB 3.3Å; E896-S899 PolarHBondContact O-N 3.1Å; E896-S899 PolarHBondContact O-OG 3.41Å; S899-L901 VanDerWaalsContact C-N 3.32Å |
| 900 | D | 96.6 | Very high | 95.4 | Very high | 116 Ų | 116 | 71.2 Ų | 71.2 | 62% | 0.62 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.8 | 173.7 | 62.1 | -48 | 0 | 0 | 0 | 113.3 | L898 | L898-D900 PolarHBondContact O-N 2.9Š|
| 901 | L | 97.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 74.1 Ų | 74.1 | 9% | 0.089 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -92.6 | 147.4 | 179.6 | -59 | -178.3 | 0 | 0 | 0 | 111.8 | N876 N878 L898 S899 | N876-L901 VanDerWaalsContact OD1-CD2 3.22Å; N876-L901 WeakPolarHBondContact OD1-CD2 3.19Å; N878-L901 HydrophobicContact CB-CB 4.04Å; L898-L901 HydrophobicContact CD2-CD1 3.85Å; L898-L901 PolarHBondContact O-N 2.92Å; L898-L901 VanDerWaalsContact O-N 3.12Å; S899-L901 VanDerWaalsContact C-N 3.32Å |
| 902 | P | 97.1 | Very high | 95.2 | Very high | 75 Ų | 75 | 73.5 Ų | 73.5 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 141.9 | 175.1 | 25.8 | -33.7 | 0 | 0 | 0 | 111.2 | N876 M877 N878 | N876-P902 WeakPolarHBondContact O-CD 3.36Å; N876-P902 WeakPolarHBondContact O-CG 3.49Å; M877-P902 CarbonylContact C-O 3.49Å; M877-P902 HydrophobicContact CG-CG 4.42Å; M877-P902 WeakPolarHBondContact CG-O 3.33Å; N878-P902 WeakPolarHBondContact CB-O 3.39Å; N878-P902 PolarHBondContact N-O 3.28Å |
| 903 | L | 95.6 | Very high | 95.1 | Very high | 114 Ų | 114 | 67.3 Ų | 67.3 | 60% | 0.597 | 40% | 0.396 | S | S | * | . | B | Isolated β-bridge | trans | -77.5 | 138.9 | 178.4 | -66.6 | 172.9 | 0 | 0 | 0 | 111.4 | N878 T905 | N878-L903 HydrophobicContact CB-CD2 4.01Å; L903-T905 HydrophobicContact CB-CG2 3.93Å; L903-T905 PolarHBondContact O-N 3.23Å; L903-T905 VanDerWaalsContact O-N 3.17Å |
| 904 | W | 96.3 | Very high | 95.1 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 5% | 0.049 | 40% | 0.395 | C | S | . | . | trans | -82.7 | 86.1 | 167.7 | -168.4 | 11.8 | 0 | 0 | 0 | 111.1 | L834 K837 F838 M877 N878 L879 F882 D906 H907 | L834-W904 HydrophobicContact CD2-CZ3 4.05Å; K837-W904 HydrophobicContact CB-CH2 3.74Å; K837-W904 HydrophobicContact CB-CZ2 3.79Å; K837-W904 HydrophobicContact CD-CZ2 3.74Å; K837-W904 HydrophobicContact CG-CH2 3.83Å; K837-W904 HydrophobicContact CG-CZ2 3.5Å; K837-W904 VanDerWaalsContact CG-CZ2 3.5Å; F838-W904 HydrophobicContact CE2-CE3 4.25Å; F838-W904 HydrophobicContact CE2-CH2 4.33Å; F838-W904 AromaticContact CE2-CZ3 3.94Å; F838-W904 HydrophobicContact CE2-CZ3 3.94Å; F838-W904 HydrophobicContact CZ-CD2 4.45Å; F838-W904 HydrophobicContact CZ-CE3 4.16Å; F838-W904 HydrophobicContact CZ-CZ3 4.26Å; M877-W904 HydrophobicContact CE-CB 3.68Å; M877-W904 HydrophobicContact CE-CD2 3.87Å; M877-W904 HydrophobicContact CE-CE3 4.43Å; M877-W904 HydrophobicContact CE-CG 3.52Å; M877-W904 HydrophobicContact CG-CB 4.08Å; M877-W904 HydrophobicContact SD-CB 3.83Å; M877-W904 HydrophobicContact SD-CG 4.11Å; N878-W904 PolarHBondContact O-N 2.97Å; L879-W904 HydrophobicContact CD2-CB 4.41Å; L879-W904 HydrophobicContact CD2-CD2 4.41Å; L879-W904 HydrophobicContact CD2-CE3 3.6Å; L879-W904 HydrophobicContact CD2-CZ3 4.28Å; F882-W904 HydrophobicContact CB-CE3 4.01Å; F882-W904 HydrophobicContact CB-CZ3 4.27Å; F882-W904 HydrophobicContact CD1-CZ3 4.31Å; F882-W904 HydrophobicContact CD2-CE3 4.31Å; F882-W904 HydrophobicContact CD2-CH2 4.41Å; F882-W904 AromaticContact CD2-CZ3 3.82Å; F882-W904 HydrophobicContact CD2-CZ3 3.82Å; F882-W904 HydrophobicContact CE2-CH2 4.46Å; F882-W904 HydrophobicContact CE2-CZ3 4.16Å; F882-W904 HydrophobicContact CG-CE3 4.13Å; F882-W904 AromaticContact CG-CZ3 3.87Å; F882-W904 HydrophobicContact CG-CZ3 3.87Å; W904-D906 PolarHBondContact NE1-OD1 3.16Å; W904-H907 HydrophobicContact CD2-CB 3.54Å; W904-H907 HydrophobicContact CE3-CB 3.8Å; W904-H907 HydrophobicContact CG-CB 3.96Å; W904-H907 HydrophobicContact CH2-CB 4.23Å; W904-H907 HydrophobicContact CZ2-CB 3.95Å; W904-H907 HydrophobicContact CZ3-CB 4.14Å; W904-H907 PolarHBondContact O-CD2 2.74Å; W904-H907 VanDerWaalsContact O-CD2 3.28Å | ||
| 905 | T | 92.1 | Very high | 94.9 | Very high | 113 Ų | 113 | 72.2 Ų | 72.2 | 69% | 0.693 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -22.6 | -172.3 | 51.7 | 0 | 0 | 0 | 0 | 114.7 | L903 | L903-T905 HydrophobicContact CB-CG2 3.93Å; L903-T905 PolarHBondContact O-N 3.23Å; L903-T905 VanDerWaalsContact O-N 3.17Å |
| 906 | D | 93.9 | Very high | 94.8 | Very high | 114 Ų | 114 | 73.3 Ų | 73.3 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 30.3 | -177.9 | 70.3 | -21.7 | 0 | 0 | 0 | 112.8 | W904 | W904-D906 PolarHBondContact NE1-OD1 3.16Š|
| 907 | H | 94.7 | Very high | 94.7 | Very high | 19 Ų | 19 | 71 Ų | 71 | 9% | 0.088 | 42% | 0.423 | C | S | . | . | trans | -68.5 | 153.7 | -176.3 | 68.7 | 50.3 | 0 | 0 | 0 | 112.4 | F882 A885 W904 M909 A910 | F882-H907 HydrophobicContact CB-CB 4.33Å; F882-H907 HydrophobicContact CD2-CB 3.91Å; A885-H907 VanDerWaalsContact CB-CE1 3.48Å; A885-H907 WeakPolarHBondContact CB-CE1 2.92Å; W904-H907 HydrophobicContact CD2-CB 3.54Å; W904-H907 HydrophobicContact CE3-CB 3.8Å; W904-H907 HydrophobicContact CG-CB 3.96Å; W904-H907 HydrophobicContact CH2-CB 4.23Å; W904-H907 HydrophobicContact CZ2-CB 3.95Å; W904-H907 HydrophobicContact CZ3-CB 4.14Å; W904-H907 PolarHBondContact O-CD2 2.74Å; W904-H907 VanDerWaalsContact O-CD2 3.28Å; H907-M909 PolarHBondContact ND1-N 3.37Å; H907-M909 PolarHBondContact O-N 3.46Å; H907-A910 WeakPolarHBondContact CE1-CA 3.45Å; H907-A910 PolarHBondContact CE1-N 3.12Å; H907-A910 PolarHBondContact ND1-N 3.32Å; H907-A910 WeakPolarHBondContact O-CB 3.22Å; H907-A910 PolarHBondContact O-N 2.79Å | ||
| 908 | P | 92.6 | Very high | 94.5 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 48% | 0.481 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -14.7 | -172.1 | -26.2 | 34.8 | 0 | 0 | 0 | 116.6 | Q833 | Q833-P908 HydrophobicContact CB-CG 4.32Å; Q833-P908 HydrophobicContact CG-CB 4.36Å; Q833-P908 HydrophobicContact CG-CG 4.22Å |
| 909 | M | 92.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 73.5 Ų | 73.5 | 5% | 0.054 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 9.4 | 178.6 | -67.2 | -66.8 | -73.4 | 0 | 0 | 114.5 | I809 V813 A885 W886 H907 | I809-M909 HydrophobicContact CG2-SD 3.7Å; V813-M909 HydrophobicContact CG2-CE 3.75Å; V813-M909 HydrophobicContact CG2-SD 4.49Å; A885-M909 HydrophobicContact CB-CB 3.63Å; A885-M909 WeakPolarHBondContact O-CE 3.46Å; W886-M909 HydrophobicContact CD2-CE 3.94Å; W886-M909 HydrophobicContact CD2-CG 4.11Å; W886-M909 HydrophobicContact CD2-SD 4.29Å; W886-M909 HydrophobicContact CE3-CE 4.04Å; W886-M909 HydrophobicContact CG-CE 4.47Å; W886-M909 HydrophobicContact CG-CG 4.28Å; W886-M909 HydrophobicContact CH2-CE 4.46Å; W886-M909 HydrophobicContact CH2-SD 4.19Å; W886-M909 HydrophobicContact CZ2-CE 4.36Å; W886-M909 HydrophobicContact CZ2-CG 3.97Å; W886-M909 HydrophobicContact CZ2-SD 3.77Å; W886-M909 HydrophobicContact CZ3-CE 4.29Å; W886-M909 VanDerWaalsContact NE1-CG 3.28Å; H907-M909 PolarHBondContact ND1-N 3.37Å; H907-M909 PolarHBondContact O-N 3.46Å |
| 910 | A | 85.5 | Confident | 94.1 | Very high | 121 Ų | 121 | 71.5 Ų | 71.5 | 100% | 1 | 43% | 0.433 | S | S | * | . | trans | -71.5 | 0 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | H907 | H907-A910 WeakPolarHBondContact CE1-CA 3.45Å; H907-A910 PolarHBondContact CE1-N 3.12Å; H907-A910 PolarHBondContact ND1-N 3.32Å; H907-A910 WeakPolarHBondContact O-CB 3.22Å; H907-A910 PolarHBondContact O-N 2.79Å |
Retrieved 910 of 910 residues in 595.6 ms
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