| 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 | 34.8 | Very low | 67.4 | Low | 240 Ų | 240 | 86.6 Ų | 86.6 | 100% | 1.182 | 44% | 0.435 | S | S | * | . | 0 | 109.8 | 0 | -74 | 171.1 | -164.6 | 0 | 0 | 106 | E3 | M1-E3 PolarHBondContact O-N 3.36Š| |||
| 2 | T | 42.7 | Very low | 68.1 | Low | 127 Ų | 127 | 88.2 Ų | 88.2 | 78% | 0.779 | 45% | 0.446 | S | S | * | . | trans | -69.3 | 116.4 | 177.7 | 43.9 | 0 | 0 | 0 | 0 | 108.1 | E4 | T2-E4 PolarHBondContact O-N 3.05Š| ||
| 3 | E | 53.2 | Low | 68.7 | Low | 188 Ų | 188 | 83.2 Ų | 83.2 | 88% | 0.879 | 42% | 0.419 | S | S | * | . | trans | -63.3 | 106.1 | 172 | -75.7 | -175.1 | 106.4 | 0 | 0 | 108.3 | M1 V5 | M1-E3 PolarHBondContact O-N 3.36Å; E3-V5 PolarHBondContact O-N 2.86Å; E3-V5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | E | 64.9 | Low | 69.3 | Low | 111 Ų | 111 | 88.9 Ų | 88.9 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | trans | -73.8 | 102.7 | 176.6 | -56.2 | -170.5 | 123.8 | 0 | 0 | 108.3 | T2 I6 R42 | T2-E4 PolarHBondContact O-N 3.05Å; E4-I6 PolarHBondContact O-N 2.57Å; E4-R42 IonicContact OE1-CZ 3.43Å; E4-R42 VanDerWaalsContact OE1-CZ 3.26Å; E4-R42 IonicContact OE1-NH1 3.57Å; E4-R42 PolarHBondContact OE1-NH1 2.91Å; E4-R42 IonicContact OE1-NH2 3.87Å; E4-R42 PolarHBondContact OE1-NH2 3.28Å; E4-R42 IonicContact OE2-NH2 3.36Å; E4-R42 PolarHBondContact OE2-NH2 3.49Å | ||
| 5 | V | 77.7 | Confident | 70.1 | Confident | 66 Ų | 66 | 85.8 Ų | 85.8 | 40% | 0.4 | 44% | 0.44 | S | S | . | . | trans | -72.4 | 123.4 | 179.2 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | E3 L31 R58 | E3-V5 PolarHBondContact O-N 2.86Å; E3-V5 VanDerWaalsContact O-N 3.09Å; V5-L31 HydrophobicContact CB-CB 4.16Å; V5-L31 HydrophobicContact CB-CD2 4.33Å; V5-L31 HydrophobicContact CG1-CB 4.2Å; V5-L31 HydrophobicContact CG1-CD2 3.87Å; V5-L31 WeakPolarHBondContact O-CB 3.42Å; V5-L31 PolarHBondContact O-N 2.61Å; V5-R58 HydrophobicContact CG1-CG 4.09Å | ||
| 6 | I | 83.8 | Confident | 69.8 | Low | 57 Ų | 57 | 90.8 Ų | 90.8 | 29% | 0.292 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.4 | 178.4 | -60 | 172.8 | 0 | 0 | 0 | 109.3 | E4 R28 L29 K59 | E4-I6 PolarHBondContact O-N 2.57Å; I6-R28 HydrophobicContact CG2-CB 4.29Å; I6-L29 CarbonylContact C-O 3.33Å; I6-L29 WeakPolarHBondContact CA-O 2.98Å; I6-K59 PolarHBondContact O-N 2.93Å |
| 7 | V | 85.4 | Confident | 69.3 | Low | 0 Ų | 0 | 92.7 Ų | 92.7 | 0% | 0 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 150.2 | 169.3 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | L29 L31 W39 V41 V56 E57 R58 | V7-L29 HydrophobicContact CG2-CB 3.86Å; V7-L29 HydrophobicContact CG2-CD1 4.48Å; V7-L29 PolarHBondContact N-O 2.75Å; V7-L29 PolarHBondContact O-N 3.1Å; V7-L31 HydrophobicContact CG1-CB 3.89Å; V7-L31 HydrophobicContact CG1-CD1 4.3Å; V7-L31 HydrophobicContact CG1-CD2 4.12Å; V7-L31 HydrophobicContact CG1-CG 4.35Å; V7-L31 HydrophobicContact CG2-CB 4.48Å; V7-W39 HydrophobicContact CG1-CE3 4.18Å; V7-W39 HydrophobicContact CG1-CZ3 3.94Å; V7-V41 HydrophobicContact CG2-CG1 3.87Å; V7-V56 HydrophobicContact CB-CB 4.23Å; V7-V56 HydrophobicContact CG2-CB 4.16Å; V7-V56 HydrophobicContact CG2-CG1 4.38Å; V7-E57 CarbonylContact C-O 3.55Å; V7-E57 WeakPolarHBondContact CA-O 3.05Å; V7-E57 WeakPolarHBondContact CB-O 3.33Å; V7-R58 HydrophobicContact CG1-CB 4.37Å; V7-R58 HydrophobicContact CG1-CG 3.59Å |
| 8 | I | 81.3 | Confident | 69.6 | Low | 24 Ų | 24 | 97.3 Ų | 97.3 | 12% | 0.123 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.8 | 175.3 | -63.9 | 175.7 | 0 | 0 | 0 | 107.9 | K10 E27 R28 V56 E57 K59 | I8-K10 PolarHBondContact O-N 3.17Å; I8-E27 CarbonylContact C-O 3.58Å; I8-E27 WeakPolarHBondContact CA-O 2.68Å; I8-R28 HydrophobicContact CG1-CG 4.31Å; I8-V56 CarbonylContact O-C 3.37Å; I8-V56 WeakPolarHBondContact O-CA 3.36Å; I8-E57 PolarHBondContact N-O 3.05Å; I8-E57 PolarHBondContact O-N 2.85Å; I8-K59 HydrophobicContact CD1-CB 3.94Å; I8-K59 HydrophobicContact CD1-CD 3.63Å; I8-K59 HydrophobicContact CD1-CG 3.93Å; I8-K59 HydrophobicContact CG1-CB 4.2Å |
| 9 | A | 84.1 | Confident | 69.8 | Low | 1 Ų | 1 | 99.3 Ų | 99.3 | 1% | 0.008 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 122.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | I23 K24 N26 E27 L29 Y55 V56 | A9-I23 HydrophobicContact CB-CB 4.19Å; A9-I23 HydrophobicContact CB-CD1 3.86Å; A9-I23 HydrophobicContact CB-CG1 4.33Å; A9-K24 WeakPolarHBondContact CB-O 3.34Å; A9-N26 WeakPolarHBondContact O-CA 3.23Å; A9-N26 PolarHBondContact O-N 3.45Å; A9-E27 HydrophobicContact CB-CB 4.3Å; A9-E27 PolarHBondContact N-O 2.79Å; A9-L29 HydrophobicContact CB-CD1 4.36Å; A9-Y55 CarbonylContact C-O 3.59Å; A9-Y55 WeakPolarHBondContact CA-O 3.48Å; A9-V56 HydrophobicContact CB-CG1 4.48Å |
| 10 | K | 69.1 | Low | 70.6 | Confident | 82 Ų | 82 | 95 Ų | 95 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -78.3 | -27.6 | 176.3 | -66.2 | -171.4 | 176.2 | -165.3 | 0 | 112 | I8 K25 Y55 E57 | I8-K10 PolarHBondContact O-N 3.17Å; K10-K25 WeakPolarHBondContact O-CG 3.07Å; K10-Y55 PolarHBondContact N-O 3.35Å; K10-E57 HydrophobicContact CD-CB 4.3Å; K10-E57 VanDerWaalsContact CE-CG 3.49Å; K10-E57 WeakPolarHBondContact CE-OE2 3.29Å; K10-E57 HydrophobicContact CG-CB 4.04Å; K10-E57 IonicContact NZ-OE2 3.39Å; K10-E57 PolarHBondContact NZ-OE2 3.34Å |
| 11 | F | 64.3 | Low | 71.2 | Confident | 57 Ų | 57 | 90.4 Ų | 90.4 | 25% | 0.25 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -140.5 | 159.5 | -174.6 | -52.6 | -71.9 | 0 | 0 | 0 | 110.7 | Y55 R123 | F11-Y55 HydrophobicContact CB-CD1 3.67Å; F11-Y55 HydrophobicContact CB-CE1 3.91Å; F11-Y55 HydrophobicContact CD2-CD1 4.27Å; F11-Y55 HydrophobicContact CD2-CG 4.36Å; F11-Y55 HydrophobicContact CG-CD1 4.41Å; F11-R123 VanDerWaalsContact CZ-CZ 3.41Å; F11-R123 VanDerWaalsContact CZ-NH1 3.33Å |
| 12 | D | 75.8 | Confident | 73.6 | Confident | 105 Ų | 105 | 82.3 Ų | 82.3 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | trans | -72.2 | 136.7 | 167.3 | -57 | -65 | 0 | 0 | 0 | 109 | I23 K24 K25 | D12-I23 CarbonylContact C-O 3.51Å; D12-I23 WeakPolarHBondContact CA-O 3.15Å; D12-K24 VanDerWaalsContact OD1-CA 3.22Å; D12-K24 WeakPolarHBondContact OD1-CA 3.34Å; D12-K25 PolarHBondContact OD1-N 3.3Å | ||
| 13 | Y | 75.9 | Confident | 75.7 | Confident | 24 Ų | 24 | 76.4 Ų | 76.4 | 9% | 0.094 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -139.2 | 127.1 | 178.2 | -179.7 | -101.2 | 0 | 0 | 0 | 109.1 | E20 L21 D22 I23 W38 P52 Y55 | Y13-E20 HydrophobicContact CE1-CB 4.38Å; Y13-E20 PolarHBondContact OH-OE2 3.4Å; Y13-L21 WeakPolarHBondContact CD1-O 3.31Å; Y13-D22 WeakPolarHBondContact O-CA 3.34Å; Y13-I23 HydrophobicContact CD1-CG1 4.45Å; Y13-I23 HydrophobicContact CG-CG1 4.41Å; Y13-I23 PolarHBondContact N-O 2.99Å; Y13-I23 PolarHBondContact O-N 3.13Å; Y13-W38 HydrophobicContact CE1-CZ3 4.27Å; Y13-W38 AromaticContact CZ-CH2 3.98Å; Y13-W38 AromaticContact CZ-CZ3 4Å; Y13-W38 WeakPolarHBondContact OH-CH2 3.49Å; Y13-W38 WeakPolarHBondContact OH-CZ3 3.35Å; Y13-P52 HydrophobicContact CD2-CG 4.14Å; Y13-P52 HydrophobicContact CE2-CG 3.77Å; Y13-Y55 HydrophobicContact CD2-CD1 4.05Å; Y13-Y55 HydrophobicContact CD2-CE1 4Å; Y13-Y55 HydrophobicContact CG-CD1 4.35Å |
| 14 | M | 77.8 | Confident | 77 | Confident | 163 Ų | 163 | 74.4 Ų | 74.4 | 80% | 0.803 | 37% | 0.369 | S | S | * | . | trans | -99.2 | 123.9 | 171.5 | -69.4 | -166.4 | -72.5 | 0 | 0 | 108.5 | Q16 | M14-Q16 PolarHBondContact O-N 3.22Š| ||
| 15 | A | 81.1 | Confident | 77.6 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 35% | 0.347 | 37% | 0.372 | S | S | . | . | trans | -52.9 | 125.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E20 | A15-E20 HydrophobicContact CB-CB 3.67Š| ||
| 16 | Q | 64.6 | Low | 77.7 | Confident | 165 Ų | 165 | 78 Ų | 78 | 77% | 0.771 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -93.6 | -18.2 | 176.3 | -61.5 | -172.2 | -10.1 | 0 | 0 | 111.6 | M14 E20 | M14-Q16 PolarHBondContact O-N 3.22Å; Q16-E20 PolarHBondContact N-OE2 3.19Å |
| 17 | Q | 62.3 | Low | 77.8 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 58% | 0.579 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -130.2 | 155.7 | 179.9 | -55.7 | -178.5 | 3.4 | 0 | 0 | 111 | Q19 E20 | Q17-Q19 PolarHBondContact O-N 2.96Å; Q17-Q19 VanDerWaalsContact O-N 3.09Å; Q17-E20 HydrophobicContact CB-CG 4.06Å; Q17-E20 WeakPolarHBondContact CG-OE1 3.41Å; Q17-E20 PolarHBondContact N-OE2 2.79Å; Q17-E20 WeakPolarHBondContact O-CB 3.41Å; Q17-E20 PolarHBondContact O-N 3.09Å |
| 18 | D | 73.3 | Confident | 77.8 | Confident | 175 Ų | 175 | 84.2 Ų | 84.2 | 94% | 0.936 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.1 | -179.1 | -65.4 | -85.1 | 0 | 0 | 0 | 114.6 | ||
| 19 | Q | 74.5 | Confident | 78.1 | Confident | 135 Ų | 135 | 83.1 Ų | 83.1 | 63% | 0.631 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -8.7 | 178.6 | -58.5 | -175.4 | 26.9 | 0 | 0 | 112.8 | Q17 G49 F50 | Q17-Q19 PolarHBondContact O-N 2.96Å; Q17-Q19 VanDerWaalsContact O-N 3.09Å; Q19-G49 WeakPolarHBondContact O-CA 3.42Å; Q19-F50 HydrophobicContact CB-CD2 4.12Å; Q19-F50 VanDerWaalsContact O-CD2 3.31Å; Q19-F50 WeakPolarHBondContact O-CD2 3.26Å; Q19-F50 PolarHBondContact O-N 2.8Å |
| 20 | E | 84.6 | Confident | 78.4 | Confident | 13 Ų | 13 | 86.2 Ų | 86.2 | 6% | 0.061 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 156.4 | -176.9 | -63.3 | 172.6 | -167.2 | 0 | 0 | 111.9 | Y13 A15 Q16 Q17 W38 F50 | Y13-E20 HydrophobicContact CE1-CB 4.38Å; Y13-E20 PolarHBondContact OH-OE2 3.4Å; A15-E20 HydrophobicContact CB-CB 3.67Å; Q16-E20 PolarHBondContact N-OE2 3.19Å; Q17-E20 HydrophobicContact CB-CG 4.06Å; Q17-E20 WeakPolarHBondContact CG-OE1 3.41Å; Q17-E20 PolarHBondContact N-OE2 2.79Å; Q17-E20 WeakPolarHBondContact O-CB 3.41Å; Q17-E20 PolarHBondContact O-N 3.09Å; E20-W38 HydrophobicContact CB-CZ3 4.5Å; E20-W38 VanDerWaalsContact CD-CH2 3.5Å; E20-W38 HydrophobicContact CG-CE3 4.31Å; E20-W38 HydrophobicContact CG-CH2 4.22Å; E20-W38 HydrophobicContact CG-CZ3 3.6Å; E20-W38 VanDerWaalsContact OE1-CH2 3.23Å; E20-W38 WeakPolarHBondContact OE1-CH2 2.94Å; E20-W38 WeakPolarHBondContact OE1-CZ3 3.39Å; E20-F50 CarbonylContact C-O 3.44Å; E20-F50 VanDerWaalsContact CA-O 3.24Å; E20-F50 WeakPolarHBondContact CA-O 3.38Å; E20-F50 WeakPolarHBondContact CB-O 3.48Å |
| 21 | L | 84.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -107.8 | 130.5 | 178.2 | -162.5 | 65.5 | 0 | 0 | 0 | 110.7 | Y13 I23 L29 V41 N43 K47 F50 V51 | Y13-L21 WeakPolarHBondContact CD1-O 3.31Å; L21-I23 HydrophobicContact CB-CG2 4.47Å; L21-I23 HydrophobicContact CD2-CG2 4.32Å; L21-I23 HydrophobicContact CG-CG2 4.34Å; L21-I23 PolarHBondContact O-N 3.2Å; L21-L29 HydrophobicContact CD2-CD2 4.45Å; L21-V41 HydrophobicContact CD2-CG2 3.83Å; L21-N43 HydrophobicContact CD2-CB 4Å; L21-K47 HydrophobicContact CD1-CB 3.95Å; L21-K47 HydrophobicContact CD1-CD 3.6Å; L21-K47 HydrophobicContact CD1-CG 3.56Å; L21-F50 PolarHBondContact N-O 2.83Å; L21-V51 HydrophobicContact CB-CG1 3.89Å | ||
| 22 | D | 84.9 | Confident | 80.1 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | trans | -65.4 | 127.8 | 165.3 | 56.7 | -74.7 | 0 | 0 | 0 | 109.7 | Y13 K47 | Y13-D22 WeakPolarHBondContact O-CA 3.34Å; D22-K47 IonicContact OD1-NZ 3.15Å; D22-K47 PolarHBondContact OD1-NZ 2.62Å | ||
| 23 | I | 86.3 | Confident | 80 | Confident | 2 Ų | 2 | 82.6 Ų | 82.6 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -133.1 | 141 | 179.1 | 58.2 | 166.7 | 0 | 0 | 0 | 109.9 | A9 D12 Y13 L21 L29 V51 V56 | A9-I23 HydrophobicContact CB-CB 4.19Å; A9-I23 HydrophobicContact CB-CD1 3.86Å; A9-I23 HydrophobicContact CB-CG1 4.33Å; D12-I23 CarbonylContact C-O 3.51Å; D12-I23 WeakPolarHBondContact CA-O 3.15Å; Y13-I23 HydrophobicContact CD1-CG1 4.45Å; Y13-I23 HydrophobicContact CG-CG1 4.41Å; Y13-I23 PolarHBondContact N-O 2.99Å; Y13-I23 PolarHBondContact O-N 3.13Å; L21-I23 HydrophobicContact CB-CG2 4.47Å; L21-I23 HydrophobicContact CD2-CG2 4.32Å; L21-I23 HydrophobicContact CG-CG2 4.34Å; L21-I23 PolarHBondContact O-N 3.2Å; I23-L29 HydrophobicContact CB-CD1 4.09Å; I23-L29 HydrophobicContact CD1-CD1 4.37Å; I23-L29 HydrophobicContact CG2-CD1 3.45Å; I23-L29 VanDerWaalsContact CG2-CD1 3.45Å; I23-L29 HydrophobicContact CG2-CD2 3.91Å; I23-L29 HydrophobicContact CG2-CG 4.3Å; I23-V51 HydrophobicContact CD1-CB 4.01Å; I23-V51 HydrophobicContact CD1-CG1 3.97Å; I23-V51 HydrophobicContact CD1-CG2 4.5Å; I23-V51 HydrophobicContact CG1-CG1 4.22Å; I23-V51 HydrophobicContact CG2-CG1 3.65Å; I23-V56 HydrophobicContact CD1-CG1 3.72Å |
| 24 | K | 81.3 | Confident | 80.1 | Confident | 146 Ų | 146 | 84.6 Ų | 84.6 | 64% | 0.635 | 41% | 0.41 | S | S | * | . | trans | -101.5 | 147.5 | 175.1 | -68.6 | -174.2 | 178.9 | -179.4 | 0 | 111.2 | A9 D12 N26 E27 | A9-K24 WeakPolarHBondContact CB-O 3.34Å; D12-K24 VanDerWaalsContact OD1-CA 3.22Å; D12-K24 WeakPolarHBondContact OD1-CA 3.34Å; K24-N26 PolarHBondContact O-N 3.41Å; K24-E27 HydrophobicContact CB-CB 4.36Å; K24-E27 PolarHBondContact N-OE2 3.23Å; K24-E27 WeakPolarHBondContact O-CA 3.48Å; K24-E27 WeakPolarHBondContact O-CB 3.44Å; K24-E27 PolarHBondContact O-N 3.24Å | ||
| 25 | K | 77.9 | Confident | 79.2 | Confident | 131 Ų | 131 | 79.1 Ų | 79.1 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 134.1 | 174 | 178.3 | 169.1 | -176.8 | -178.1 | 0 | 110 | K10 D12 E27 | K10-K25 WeakPolarHBondContact O-CG 3.07Å; D12-K25 PolarHBondContact OD1-N 3.3Å; K25-E27 PolarHBondContact O-N 2.82Å |
| 26 | N | 78.8 | Confident | 78.3 | Confident | 121 Ų | 121 | 84.5 Ų | 84.5 | 65% | 0.647 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 10.8 | -175.8 | -158.7 | 48.5 | 0 | 0 | 0 | 115 | A9 K24 | A9-N26 WeakPolarHBondContact O-CA 3.23Å; A9-N26 PolarHBondContact O-N 3.45Å; K24-N26 PolarHBondContact O-N 3.41Å |
| 27 | E | 85.4 | Confident | 77.9 | Confident | 50 Ų | 50 | 81 Ų | 81 | 23% | 0.234 | 40% | 0.397 | C | S | . | . | trans | -71 | 140 | 171.4 | -171.8 | 172 | 178.9 | 0 | 0 | 110.8 | I8 A9 K24 K25 L29 | I8-E27 CarbonylContact C-O 3.58Å; I8-E27 WeakPolarHBondContact CA-O 2.68Å; A9-E27 HydrophobicContact CB-CB 4.3Å; A9-E27 PolarHBondContact N-O 2.79Å; K24-E27 HydrophobicContact CB-CB 4.36Å; K24-E27 PolarHBondContact N-OE2 3.23Å; K24-E27 WeakPolarHBondContact O-CA 3.48Å; K24-E27 WeakPolarHBondContact O-CB 3.44Å; K24-E27 PolarHBondContact O-N 3.24Å; K25-E27 PolarHBondContact O-N 2.82Å; E27-L29 HydrophobicContact CG-CD2 4.02Å | ||
| 28 | R | 86.3 | Confident | 78.7 | Confident | 139 Ų | 139 | 79.7 Ų | 79.7 | 53% | 0.525 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.1 | 178.8 | -65.1 | 174.9 | 179.7 | -134.6 | 9.2 | 109.2 | I6 I8 | I6-R28 HydrophobicContact CG2-CB 4.29Å; I8-R28 HydrophobicContact CG1-CG 4.31Å |
| 29 | L | 88.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 148 | -178.8 | -47.2 | 159.1 | 0 | 0 | 0 | 107.3 | I6 V7 A9 L21 I23 E27 V41 R42 N43 V56 | I6-L29 CarbonylContact C-O 3.33Å; I6-L29 WeakPolarHBondContact CA-O 2.98Å; V7-L29 HydrophobicContact CG2-CB 3.86Å; V7-L29 HydrophobicContact CG2-CD1 4.48Å; V7-L29 PolarHBondContact N-O 2.75Å; V7-L29 PolarHBondContact O-N 3.1Å; A9-L29 HydrophobicContact CB-CD1 4.36Å; L21-L29 HydrophobicContact CD2-CD2 4.45Å; I23-L29 HydrophobicContact CB-CD1 4.09Å; I23-L29 HydrophobicContact CD1-CD1 4.37Å; I23-L29 HydrophobicContact CG2-CD1 3.45Å; I23-L29 VanDerWaalsContact CG2-CD1 3.45Å; I23-L29 HydrophobicContact CG2-CD2 3.91Å; I23-L29 HydrophobicContact CG2-CG 4.3Å; E27-L29 HydrophobicContact CG-CD2 4.02Å; L29-V41 HydrophobicContact CB-CB 4.01Å; L29-V41 HydrophobicContact CB-CG1 4.5Å; L29-V41 HydrophobicContact CB-CG2 4.43Å; L29-V41 HydrophobicContact CD1-CB 4.41Å; L29-V41 HydrophobicContact CD1-CG2 4.06Å; L29-R42 CarbonylContact C-O 3.58Å; L29-R42 VanDerWaalsContact CA-O 3.28Å; L29-R42 WeakPolarHBondContact CA-O 3.16Å; L29-N43 HydrophobicContact CD2-CB 3.73Å; L29-V56 HydrophobicContact CD1-CG1 3.9Å |
| 30 | W | 89.6 | Confident | 79.7 | Confident | 67 Ų | 67 | 71.7 Ų | 71.7 | 25% | 0.254 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 127.9 | 171.3 | -55.5 | -106.9 | 0 | 0 | 0 | 108.4 | L32 V41 R42 A44 | W30-L32 PolarHBondContact O-N 3.13Å; W30-V41 CarbonylContact O-C 3.54Å; W30-V41 VanDerWaalsContact O-CA 3.3Å; W30-V41 WeakPolarHBondContact O-CA 3.22Å; W30-R42 HydrophobicContact CB-CG 3.53Å; W30-R42 HydrophobicContact CD2-CG 4.34Å; W30-R42 HydrophobicContact CE3-CG 4.09Å; W30-R42 HydrophobicContact CG-CG 4.19Å; W30-R42 PolarHBondContact N-O 2.76Å; W30-R42 PolarHBondContact O-N 3.22Å; W30-A44 HydrophobicContact CH2-CB 4.32Å; W30-A44 HydrophobicContact CZ3-CB 4.18Å |
| 31 | L | 86.9 | Confident | 80 | Confident | 21 Ų | 21 | 71 Ų | 71 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124.7 | 177.6 | -176.3 | 65 | 0 | 0 | 0 | 109.2 | V5 V7 D34 W39 V41 R58 | V5-L31 HydrophobicContact CB-CB 4.16Å; V5-L31 HydrophobicContact CB-CD2 4.33Å; V5-L31 HydrophobicContact CG1-CB 4.2Å; V5-L31 HydrophobicContact CG1-CD2 3.87Å; V5-L31 WeakPolarHBondContact O-CB 3.42Å; V5-L31 PolarHBondContact O-N 2.61Å; V7-L31 HydrophobicContact CG1-CB 3.89Å; V7-L31 HydrophobicContact CG1-CD1 4.3Å; V7-L31 HydrophobicContact CG1-CD2 4.12Å; V7-L31 HydrophobicContact CG1-CG 4.35Å; V7-L31 HydrophobicContact CG2-CB 4.48Å; L31-D34 HydrophobicContact CD1-CB 4.11Å; L31-D34 HydrophobicContact CD2-CB 3.99Å; L31-D34 HydrophobicContact CG-CB 4.44Å; L31-W39 HydrophobicContact CD1-CB 3.96Å; L31-W39 HydrophobicContact CD1-CD2 4.07Å; L31-W39 HydrophobicContact CD1-CE3 3.72Å; L31-W39 HydrophobicContact CD1-CG 4.2Å; L31-V41 HydrophobicContact CD1-CG1 4.13Å; L31-R58 HydrophobicContact CD2-CG 4.25Å |
| 32 | L | 82.2 | Confident | 80.1 | Confident | 84 Ų | 84 | 73.5 Ų | 73.5 | 44% | 0.44 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -37 | 175.5 | -62.5 | 176.9 | 0 | 0 | 0 | 111.2 | W30 R40 R42 T48 | W30-L32 PolarHBondContact O-N 3.13Å; L32-R40 WeakPolarHBondContact CA-O 3.03Å; L32-R40 HydrophobicContact CB-CB 4.34Å; L32-R40 HydrophobicContact CB-CG 4.36Å; L32-R40 WeakPolarHBondContact CB-O 3.34Å; L32-R40 HydrophobicContact CD1-CG 4.41Å; L32-R40 PolarHBondContact N-O 3.16Å; L32-R42 HydrophobicContact CD1-CB 4.01Å; L32-R42 HydrophobicContact CD1-CG 4.38Å; L32-R42 HydrophobicContact CD2-CG 4.23Å; L32-R42 HydrophobicContact CG-CB 4.39Å; L32-R42 HydrophobicContact CG-CG 4.26Å; L32-T48 HydrophobicContact CD1-CG2 3.72Å |
| 33 | D | 74.3 | Confident | 80.2 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 33% | 0.332 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 123.7 | -179.8 | -170.2 | -86.5 | 0 | 0 | 0 | 110.9 | S35 W39 R40 | D33-S35 WeakPolarHBondContact OD1-CB 3.41Å; D33-S35 PolarHBondContact OD1-N 2.95Å; D33-S35 PolarHBondContact OD1-OG 3.03Å; D33-S35 PolarHBondContact OD2-OG 3.2Å; D33-W39 CarbonylContact O-C 3.5Å; D33-W39 VanDerWaalsContact O-CA 3.24Å; D33-W39 WeakPolarHBondContact O-CA 3.31Å; D33-R40 HydrophobicContact CB-CB 3.75Å; D33-R40 PolarHBondContact N-O 2.73Å; D33-R40 PolarHBondContact O-N 3.17Å |
| 34 | D | 77.9 | Confident | 80.2 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | trans | -111.4 | 21.6 | 172.2 | 63.1 | -37.6 | 0 | 0 | 0 | 112.6 | L31 K36 W39 R58 | L31-D34 HydrophobicContact CD1-CB 4.11Å; L31-D34 HydrophobicContact CD2-CB 3.99Å; L31-D34 HydrophobicContact CG-CB 4.44Å; D34-K36 PolarHBondContact O-N 2.86Å; D34-K36 VanDerWaalsContact O-N 3.16Å; D34-W39 HydrophobicContact CB-CD2 3.84Å; D34-W39 HydrophobicContact CB-CE3 4.45Å; D34-W39 HydrophobicContact CB-CG 4.05Å; D34-W39 HydrophobicContact CB-CZ2 4.15Å; D34-R58 IonicContact OD2-CZ 3.4Å; D34-R58 IonicContact OD2-NH1 3.86Å; D34-R58 PolarHBondContact OD2-NH1 3Å; D34-R58 IonicContact OD2-NH2 3.05Å; D34-R58 PolarHBondContact OD2-NH2 3.44Å | ||
| 35 | S | 57.2 | Low | 80.3 | Confident | 47 Ų | 47 | 72 Ų | 72 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -73.8 | -9.2 | -168.4 | 73.9 | 0 | 0 | 0 | 0 | 114.6 | D33 K341 | D33-S35 WeakPolarHBondContact OD1-CB 3.41Å; D33-S35 PolarHBondContact OD1-N 2.95Å; D33-S35 PolarHBondContact OD1-OG 3.03Å; D33-S35 PolarHBondContact OD2-OG 3.2Å; S35-K341 PolarHBondContact O-NZ 3.37Å |
| 36 | K | 62.8 | Low | 80.6 | Confident | 155 Ų | 155 | 71.8 Ų | 71.8 | 67% | 0.674 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -137.9 | 175.5 | -173.7 | -61.9 | 179.8 | -175.5 | 179.8 | 0 | 110.7 | D34 W38 W39 | D34-K36 PolarHBondContact O-N 2.86Å; D34-K36 VanDerWaalsContact O-N 3.16Å; K36-W38 PolarHBondContact O-N 2.87Å; K36-W39 PolarHBondContact O-NE1 3.29Å |
| 37 | S | 57 | Low | 80.8 | Confident | 91 Ų | 91 | 71 Ų | 71 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -68.3 | -13.3 | 174.7 | -44.3 | 0 | 0 | 0 | 0 | 114 | S53 | S37-S53 WeakPolarHBondContact O-CB 3.38Å; S37-S53 PolarHBondContact O-N 3.19Å; S37-S53 PolarHBondContact O-OG 2.82Å |
| 38 | W | 79.1 | Confident | 80.9 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 37% | 0.367 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.7 | 170.6 | -74.7 | 76.7 | 0 | 0 | 0 | 108.4 | Y13 E20 K36 F50 V51 P52 | Y13-W38 HydrophobicContact CE1-CZ3 4.27Å; Y13-W38 AromaticContact CZ-CH2 3.98Å; Y13-W38 AromaticContact CZ-CZ3 4Å; Y13-W38 WeakPolarHBondContact OH-CH2 3.49Å; Y13-W38 WeakPolarHBondContact OH-CZ3 3.35Å; E20-W38 HydrophobicContact CB-CZ3 4.5Å; E20-W38 VanDerWaalsContact CD-CH2 3.5Å; E20-W38 HydrophobicContact CG-CE3 4.31Å; E20-W38 HydrophobicContact CG-CH2 4.22Å; E20-W38 HydrophobicContact CG-CZ3 3.6Å; E20-W38 VanDerWaalsContact OE1-CH2 3.23Å; E20-W38 WeakPolarHBondContact OE1-CH2 2.94Å; E20-W38 WeakPolarHBondContact OE1-CZ3 3.39Å; K36-W38 PolarHBondContact O-N 2.87Å; W38-F50 HydrophobicContact CB-CB 4.33Å; W38-F50 HydrophobicContact CB-CD1 4.39Å; W38-F50 HydrophobicContact CE3-CB 4Å; W38-V51 CarbonylContact C-O 3.55Å; W38-V51 WeakPolarHBondContact CA-O 3.47Å; W38-P52 HydrophobicContact CD2-CG 4.46Å; W38-P52 HydrophobicContact CE3-CG 4.07Å; W38-P52 HydrophobicContact CH2-CG 3.85Å; W38-P52 HydrophobicContact CZ2-CG 4.19Å; W38-P52 HydrophobicContact CZ3-CG 3.75Å |
| 39 | W | 85.2 | Confident | 80.9 | Confident | 30 Ų | 30 | 65.2 Ų | 65.2 | 11% | 0.114 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.6 | -177.6 | -68.9 | 5 | 0 | 0 | 0 | 109.6 | V7 L31 D33 D34 K36 V41 F50 V51 S53 V56 R58 | V7-W39 HydrophobicContact CG1-CE3 4.18Å; V7-W39 HydrophobicContact CG1-CZ3 3.94Å; L31-W39 HydrophobicContact CD1-CB 3.96Å; L31-W39 HydrophobicContact CD1-CD2 4.07Å; L31-W39 HydrophobicContact CD1-CE3 3.72Å; L31-W39 HydrophobicContact CD1-CG 4.2Å; D33-W39 CarbonylContact O-C 3.5Å; D33-W39 VanDerWaalsContact O-CA 3.24Å; D33-W39 WeakPolarHBondContact O-CA 3.31Å; D34-W39 HydrophobicContact CB-CD2 3.84Å; D34-W39 HydrophobicContact CB-CE3 4.45Å; D34-W39 HydrophobicContact CB-CG 4.05Å; D34-W39 HydrophobicContact CB-CZ2 4.15Å; K36-W39 PolarHBondContact O-NE1 3.29Å; W39-V41 HydrophobicContact CB-CG1 4.33Å; W39-F50 CarbonylContact O-C 3.36Å; W39-F50 WeakPolarHBondContact O-CA 3.4Å; W39-V51 HydrophobicContact CB-CG2 4.37Å; W39-V51 PolarHBondContact N-O 2.66Å; W39-V51 PolarHBondContact O-N 3.43Å; W39-S53 VanDerWaalsContact CE2-CB 3.45Å; W39-V56 HydrophobicContact CB-CG2 4.49Å; W39-V56 HydrophobicContact CD2-CG2 4.06Å; W39-V56 HydrophobicContact CE3-CB 4.49Å; W39-V56 HydrophobicContact CE3-CG2 3.38Å; W39-V56 HydrophobicContact CZ3-CG2 3.87Å; W39-R58 HydrophobicContact CH2-CG 4.43Å; W39-R58 HydrophobicContact CZ3-CG 4.15Å |
| 40 | R | 83.9 | Confident | 80.6 | Confident | 112 Ų | 112 | 68.2 Ų | 68.2 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 122.8 | 170.9 | -161.9 | 178.1 | 180 | -173.2 | -0.5 | 108.4 | L32 D33 G49 F50 | L32-R40 WeakPolarHBondContact CA-O 3.03Å; L32-R40 HydrophobicContact CB-CB 4.34Å; L32-R40 HydrophobicContact CB-CG 4.36Å; L32-R40 WeakPolarHBondContact CB-O 3.34Å; L32-R40 HydrophobicContact CD1-CG 4.41Å; L32-R40 PolarHBondContact N-O 3.16Å; D33-R40 HydrophobicContact CB-CB 3.75Å; D33-R40 PolarHBondContact N-O 2.73Å; D33-R40 PolarHBondContact O-N 3.17Å; R40-G49 WeakPolarHBondContact CA-O 3.42Å; R40-F50 HydrophobicContact CB-CD1 4.04Å; R40-F50 HydrophobicContact CB-CE1 3.81Å; R40-F50 HydrophobicContact CG-CD1 4.39Å; R40-F50 HydrophobicContact CG-CE1 4.08Å; R40-F50 HydrophobicContact CG-CZ 4.37Å |
| 41 | V | 89.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.5 | -177.1 | -63 | 0 | 0 | 0 | 0 | 109.7 | V7 L21 L29 W30 L31 W39 T48 G49 V51 | V7-V41 HydrophobicContact CG2-CG1 3.87Å; L21-V41 HydrophobicContact CD2-CG2 3.83Å; L29-V41 HydrophobicContact CB-CB 4.01Å; L29-V41 HydrophobicContact CB-CG1 4.5Å; L29-V41 HydrophobicContact CB-CG2 4.43Å; L29-V41 HydrophobicContact CD1-CB 4.41Å; L29-V41 HydrophobicContact CD1-CG2 4.06Å; W30-V41 CarbonylContact O-C 3.54Å; W30-V41 VanDerWaalsContact O-CA 3.3Å; W30-V41 WeakPolarHBondContact O-CA 3.22Å; L31-V41 HydrophobicContact CD1-CG1 4.13Å; W39-V41 HydrophobicContact CB-CG1 4.33Å; V41-T48 VanDerWaalsContact O-CA 3.3Å; V41-T48 WeakPolarHBondContact O-CA 3.37Å; V41-G49 PolarHBondContact N-O 2.75Å; V41-G49 PolarHBondContact O-N 3.29Å; V41-V51 HydrophobicContact CB-CG2 4.3Å; V41-V51 HydrophobicContact CG1-CG2 3.72Å; V41-V51 HydrophobicContact CG2-CB 4.2Å; V41-V51 HydrophobicContact CG2-CG1 3.57Å; V41-V51 HydrophobicContact CG2-CG2 3.54Å |
| 42 | R | 88.1 | Confident | 79.7 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 19% | 0.192 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 137.7 | 167.1 | 62.5 | 171.6 | -160.9 | -156.2 | -0 | 109.6 | E4 L29 W30 L32 K47 T48 | E4-R42 IonicContact OE1-CZ 3.43Å; E4-R42 VanDerWaalsContact OE1-CZ 3.26Å; E4-R42 IonicContact OE1-NH1 3.57Å; E4-R42 PolarHBondContact OE1-NH1 2.91Å; E4-R42 IonicContact OE1-NH2 3.87Å; E4-R42 PolarHBondContact OE1-NH2 3.28Å; E4-R42 IonicContact OE2-NH2 3.36Å; E4-R42 PolarHBondContact OE2-NH2 3.49Å; L29-R42 CarbonylContact C-O 3.58Å; L29-R42 VanDerWaalsContact CA-O 3.28Å; L29-R42 WeakPolarHBondContact CA-O 3.16Å; W30-R42 HydrophobicContact CB-CG 3.53Å; W30-R42 HydrophobicContact CD2-CG 4.34Å; W30-R42 HydrophobicContact CE3-CG 4.09Å; W30-R42 HydrophobicContact CG-CG 4.19Å; W30-R42 PolarHBondContact N-O 2.76Å; W30-R42 PolarHBondContact O-N 3.22Å; L32-R42 HydrophobicContact CD1-CB 4.01Å; L32-R42 HydrophobicContact CD1-CG 4.38Å; L32-R42 HydrophobicContact CD2-CG 4.23Å; L32-R42 HydrophobicContact CG-CB 4.39Å; L32-R42 HydrophobicContact CG-CG 4.26Å; R42-K47 WeakPolarHBondContact CA-O 3.42Å; R42-T48 HydrophobicContact CB-CG2 3.97Å |
| 43 | N | 87.6 | Confident | 79.4 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 5% | 0.048 | 33% | 0.327 | C | S | . | . | trans | -88.4 | -178.6 | 171.8 | 72.7 | 5.7 | 0 | 0 | 0 | 111.9 | L21 L29 T45 N46 K47 | L21-N43 HydrophobicContact CD2-CB 4Å; L29-N43 HydrophobicContact CD2-CB 3.73Å; N43-T45 PolarHBondContact ND2-OG1 3.01Å; N43-T45 PolarHBondContact O-N 2.76Å; N43-T45 WeakPolarHBondContact OD1-CA 3.25Å; N43-T45 WeakPolarHBondContact OD1-CB 3.42Å; N43-T45 PolarHBondContact OD1-N 2.82Å; N43-T45 PolarHBondContact OD1-OG1 2.74Å; N43-N46 PolarHBondContact O-N 3.15Å; N43-N46 VanDerWaalsContact O-N 3.11Å; N43-N46 PolarHBondContact OD1-N 2.88Å; N43-K47 PolarHBondContact N-O 2.77Å; N43-K47 WeakPolarHBondContact OD1-CB 3.27Å; N43-K47 PolarHBondContact OD1-N 2.78Å; N43-K47 PolarHBondContact OD1-O 2.85Å | ||
| 44 | A | 84.3 | Confident | 79.4 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 59% | 0.587 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W30 N46 | W30-A44 HydrophobicContact CH2-CB 4.32Å; W30-A44 HydrophobicContact CZ3-CB 4.18Å; A44-N46 VanDerWaalsContact C-N 3.29Å |
| 45 | T | 84.2 | Confident | 79.2 | Confident | 106 Ų | 106 | 65.2 Ų | 65.2 | 65% | 0.65 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 8.3 | 176.1 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | N43 K47 | N43-T45 PolarHBondContact ND2-OG1 3.01Å; N43-T45 PolarHBondContact O-N 2.76Å; N43-T45 WeakPolarHBondContact OD1-CA 3.25Å; N43-T45 WeakPolarHBondContact OD1-CB 3.42Å; N43-T45 PolarHBondContact OD1-N 2.82Å; N43-T45 PolarHBondContact OD1-OG1 2.74Å; T45-K47 PolarHBondContact O-N 2.81Å |
| 46 | N | 83.9 | Confident | 80.3 | Confident | 128 Ų | 128 | 63.2 Ų | 63.2 | 68% | 0.684 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 61.5 | 12.9 | -172.8 | -65.5 | -76.5 | 0 | 0 | 0 | 114.8 | N43 A44 T48 | N43-N46 PolarHBondContact O-N 3.15Å; N43-N46 VanDerWaalsContact O-N 3.11Å; N43-N46 PolarHBondContact OD1-N 2.88Å; A44-N46 VanDerWaalsContact C-N 3.29Å; N46-T48 PolarHBondContact O-N 3.11Å |
| 47 | K | 83.9 | Confident | 81 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | trans | -75 | 125.9 | 170.7 | -168 | -177.2 | 170.6 | -165.9 | 0 | 107.9 | L21 D22 R42 N43 T45 | L21-K47 HydrophobicContact CD1-CB 3.95Å; L21-K47 HydrophobicContact CD1-CD 3.6Å; L21-K47 HydrophobicContact CD1-CG 3.56Å; D22-K47 IonicContact OD1-NZ 3.15Å; D22-K47 PolarHBondContact OD1-NZ 2.62Å; R42-K47 WeakPolarHBondContact CA-O 3.42Å; N43-K47 PolarHBondContact N-O 2.77Å; N43-K47 WeakPolarHBondContact OD1-CB 3.27Å; N43-K47 PolarHBondContact OD1-N 2.78Å; N43-K47 PolarHBondContact OD1-O 2.85Å; T45-K47 PolarHBondContact O-N 2.81Å | ||
| 48 | T | 88 | Confident | 82.1 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 139.3 | 177 | 73.2 | 0 | 0 | 0 | 0 | 110 | L32 V41 R42 N46 | L32-T48 HydrophobicContact CD1-CG2 3.72Å; V41-T48 VanDerWaalsContact O-CA 3.3Å; V41-T48 WeakPolarHBondContact O-CA 3.37Å; R42-T48 HydrophobicContact CB-CG2 3.97Å; N46-T48 PolarHBondContact O-N 3.11Å |
| 49 | G | 84.4 | Confident | 81.5 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.9 | 179 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q19 R40 V41 | Q19-G49 WeakPolarHBondContact O-CA 3.42Å; R40-G49 WeakPolarHBondContact CA-O 3.42Å; V41-G49 PolarHBondContact N-O 2.75Å; V41-G49 PolarHBondContact O-N 3.29Å |
| 50 | F | 83.7 | Confident | 79.6 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 28% | 0.276 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 139.4 | 177.9 | -66 | -78.7 | 0 | 0 | 0 | 111.1 | Q19 E20 L21 W38 W39 R40 | Q19-F50 HydrophobicContact CB-CD2 4.12Å; Q19-F50 VanDerWaalsContact O-CD2 3.31Å; Q19-F50 WeakPolarHBondContact O-CD2 3.26Å; Q19-F50 PolarHBondContact O-N 2.8Å; E20-F50 CarbonylContact C-O 3.44Å; E20-F50 VanDerWaalsContact CA-O 3.24Å; E20-F50 WeakPolarHBondContact CA-O 3.38Å; E20-F50 WeakPolarHBondContact CB-O 3.48Å; L21-F50 PolarHBondContact N-O 2.83Å; W38-F50 HydrophobicContact CB-CB 4.33Å; W38-F50 HydrophobicContact CB-CD1 4.39Å; W38-F50 HydrophobicContact CE3-CB 4Å; W39-F50 CarbonylContact O-C 3.36Å; W39-F50 WeakPolarHBondContact O-CA 3.4Å; R40-F50 HydrophobicContact CB-CD1 4.04Å; R40-F50 HydrophobicContact CB-CE1 3.81Å; R40-F50 HydrophobicContact CG-CD1 4.39Å; R40-F50 HydrophobicContact CG-CE1 4.08Å; R40-F50 HydrophobicContact CG-CZ 4.37Å |
| 51 | V | 83.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146 | 173.5 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | L21 I23 W38 W39 V41 S53 V56 | L21-V51 HydrophobicContact CB-CG1 3.89Å; I23-V51 HydrophobicContact CD1-CB 4.01Å; I23-V51 HydrophobicContact CD1-CG1 3.97Å; I23-V51 HydrophobicContact CD1-CG2 4.5Å; I23-V51 HydrophobicContact CG1-CG1 4.22Å; I23-V51 HydrophobicContact CG2-CG1 3.65Å; W38-V51 CarbonylContact C-O 3.55Å; W38-V51 WeakPolarHBondContact CA-O 3.47Å; W39-V51 HydrophobicContact CB-CG2 4.37Å; W39-V51 PolarHBondContact N-O 2.66Å; W39-V51 PolarHBondContact O-N 3.43Å; V41-V51 HydrophobicContact CB-CG2 4.3Å; V41-V51 HydrophobicContact CG1-CG2 3.72Å; V41-V51 HydrophobicContact CG2-CB 4.2Å; V41-V51 HydrophobicContact CG2-CG1 3.57Å; V41-V51 HydrophobicContact CG2-CG2 3.54Å; V51-S53 PolarHBondContact O-N 3.19Å; V51-V56 HydrophobicContact CG2-CG1 3.71Å; V51-V56 HydrophobicContact CG2-CG2 3.97Å |
| 52 | P | 74 | Confident | 74.8 | Confident | 18 Ų | 18 | 71.9 Ų | 71.9 | 12% | 0.117 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 134.8 | 176.6 | -21.3 | 32.1 | 0 | 0 | 0 | 110.9 | Y13 W38 N54 Y55 | Y13-P52 HydrophobicContact CD2-CG 4.14Å; Y13-P52 HydrophobicContact CE2-CG 3.77Å; W38-P52 HydrophobicContact CD2-CG 4.46Å; W38-P52 HydrophobicContact CE3-CG 4.07Å; W38-P52 HydrophobicContact CH2-CG 3.85Å; W38-P52 HydrophobicContact CZ2-CG 4.19Å; W38-P52 HydrophobicContact CZ3-CG 3.75Å; P52-N54 PolarHBondContact O-N 3Å; P52-N54 VanDerWaalsContact O-N 3.16Å; P52-Y55 HydrophobicContact CB-CD2 3.74Å; P52-Y55 HydrophobicContact CB-CE2 4.43Å; P52-Y55 HydrophobicContact CB-CG 4.28Å; P52-Y55 HydrophobicContact CG-CD2 4.15Å; P52-Y55 HydrophobicContact CG-CG 4.44Å; P52-Y55 WeakPolarHBondContact O-CB 3.48Å; P52-Y55 PolarHBondContact O-N 3.47Å |
| 53 | S | 74.3 | Confident | 72.4 | Confident | 26 Ų | 26 | 80.7 Ų | 80.7 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -58.5 | -31.6 | -179 | 61.2 | 0 | 0 | 0 | 0 | 112.9 | S37 W39 V51 Y55 V56 | S37-S53 WeakPolarHBondContact O-CB 3.38Å; S37-S53 PolarHBondContact O-N 3.19Å; S37-S53 PolarHBondContact O-OG 2.82Å; W39-S53 VanDerWaalsContact CE2-CB 3.45Å; V51-S53 PolarHBondContact O-N 3.19Å; S53-Y55 PolarHBondContact O-N 2.78Å; S53-V56 PolarHBondContact O-N 3.19Å |
| 54 | N | 74 | Confident | 69.9 | Low | 107 Ų | 107 | 90.3 Ų | 90.3 | 57% | 0.572 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -70.6 | -13.2 | 179.3 | -63.6 | -11.5 | 0 | 0 | 0 | 112.9 | P52 | P52-N54 PolarHBondContact O-N 3Å; P52-N54 VanDerWaalsContact O-N 3.16Å |
| 55 | Y | 73.9 | Confident | 67.7 | Low | 87 Ų | 87 | 91.6 Ų | 91.6 | 34% | 0.341 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -98.2 | -3.5 | -178.4 | -78.7 | -117 | 0 | 0 | 0 | 112.9 | A9 K10 F11 Y13 P52 S53 | A9-Y55 CarbonylContact C-O 3.59Å; A9-Y55 WeakPolarHBondContact CA-O 3.48Å; K10-Y55 PolarHBondContact N-O 3.35Å; F11-Y55 HydrophobicContact CB-CD1 3.67Å; F11-Y55 HydrophobicContact CB-CE1 3.91Å; F11-Y55 HydrophobicContact CD2-CD1 4.27Å; F11-Y55 HydrophobicContact CD2-CG 4.36Å; F11-Y55 HydrophobicContact CG-CD1 4.41Å; Y13-Y55 HydrophobicContact CD2-CD1 4.05Å; Y13-Y55 HydrophobicContact CD2-CE1 4Å; Y13-Y55 HydrophobicContact CG-CD1 4.35Å; P52-Y55 HydrophobicContact CB-CD2 3.74Å; P52-Y55 HydrophobicContact CB-CE2 4.43Å; P52-Y55 HydrophobicContact CB-CG 4.28Å; P52-Y55 HydrophobicContact CG-CD2 4.15Å; P52-Y55 HydrophobicContact CG-CG 4.44Å; P52-Y55 WeakPolarHBondContact O-CB 3.48Å; P52-Y55 PolarHBondContact O-N 3.47Å; S53-Y55 PolarHBondContact O-N 2.78Å |
| 56 | V | 80.6 | Confident | 65.3 | Low | 5 Ų | 5 | 91.8 Ų | 91.8 | 3% | 0.03 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 141.1 | -178.2 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | V7 I8 A9 I23 L29 W39 V51 S53 | V7-V56 HydrophobicContact CB-CB 4.23Å; V7-V56 HydrophobicContact CG2-CB 4.16Å; V7-V56 HydrophobicContact CG2-CG1 4.38Å; I8-V56 CarbonylContact O-C 3.37Å; I8-V56 WeakPolarHBondContact O-CA 3.36Å; A9-V56 HydrophobicContact CB-CG1 4.48Å; I23-V56 HydrophobicContact CD1-CG1 3.72Å; L29-V56 HydrophobicContact CD1-CG1 3.9Å; W39-V56 HydrophobicContact CB-CG2 4.49Å; W39-V56 HydrophobicContact CD2-CG2 4.06Å; W39-V56 HydrophobicContact CE3-CB 4.49Å; W39-V56 HydrophobicContact CE3-CG2 3.38Å; W39-V56 HydrophobicContact CZ3-CG2 3.87Å; V51-V56 HydrophobicContact CG2-CG1 3.71Å; V51-V56 HydrophobicContact CG2-CG2 3.97Å; S53-V56 PolarHBondContact O-N 3.19Å |
| 57 | E | 78.9 | Confident | 63.2 | Low | 101 Ų | 101 | 94.1 Ų | 94.1 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134 | 177.9 | -159.6 | 167.5 | 72.4 | 0 | 0 | 111.4 | V7 I8 K10 K59 | V7-E57 CarbonylContact C-O 3.55Å; V7-E57 WeakPolarHBondContact CA-O 3.05Å; V7-E57 WeakPolarHBondContact CB-O 3.33Å; I8-E57 PolarHBondContact N-O 3.05Å; I8-E57 PolarHBondContact O-N 2.85Å; K10-E57 HydrophobicContact CD-CB 4.3Å; K10-E57 VanDerWaalsContact CE-CG 3.49Å; K10-E57 WeakPolarHBondContact CE-OE2 3.29Å; K10-E57 HydrophobicContact CG-CB 4.04Å; K10-E57 IonicContact NZ-OE2 3.39Å; K10-E57 PolarHBondContact NZ-OE2 3.34Å; E57-K59 PolarHBondContact O-N 3.39Å |
| 58 | R | 79.5 | Confident | 60.9 | Low | 125 Ų | 125 | 94.5 Ų | 94.5 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 117.8 | 168.4 | -80.9 | -177 | -82.4 | -149 | -12.5 | 110.2 | V5 V7 L31 D34 W39 N60 | V5-R58 HydrophobicContact CG1-CG 4.09Å; V7-R58 HydrophobicContact CG1-CB 4.37Å; V7-R58 HydrophobicContact CG1-CG 3.59Å; L31-R58 HydrophobicContact CD2-CG 4.25Å; D34-R58 IonicContact OD2-CZ 3.4Å; D34-R58 IonicContact OD2-NH1 3.86Å; D34-R58 PolarHBondContact OD2-NH1 3Å; D34-R58 IonicContact OD2-NH2 3.05Å; D34-R58 PolarHBondContact OD2-NH2 3.44Å; W39-R58 HydrophobicContact CH2-CG 4.43Å; W39-R58 HydrophobicContact CZ3-CG 4.15Å; R58-N60 PolarHBondContact O-N 3.5Å; R58-N60 VanDerWaalsContact O-N 3.1Å |
| 59 | K | 65.4 | Low | 58.9 | Low | 106 Ų | 106 | 100.1 Ų | 100.1 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | trans | -81 | 94.2 | 171.3 | -161.7 | -168 | -160.3 | 163.2 | 0 | 108.7 | I6 I8 E57 S61 | I6-K59 PolarHBondContact O-N 2.93Å; I8-K59 HydrophobicContact CD1-CB 3.94Å; I8-K59 HydrophobicContact CD1-CD 3.63Å; I8-K59 HydrophobicContact CD1-CG 3.93Å; I8-K59 HydrophobicContact CG1-CB 4.2Å; E57-K59 PolarHBondContact O-N 3.39Å; K59-S61 PolarHBondContact O-N 2.84Å | ||
| 60 | N | 45.5 | Very low | 56.4 | Low | 137 Ų | 137 | 107.4 Ų | 107.4 | 73% | 0.733 | 56% | 0.559 | S | S | * | * | trans | -63.5 | 117.9 | 170.8 | -170.2 | -30.2 | 0 | 0 | 0 | 109.2 | R58 A62 | R58-N60 PolarHBondContact O-N 3.5Å; R58-N60 VanDerWaalsContact O-N 3.1Å; N60-A62 PolarHBondContact O-N 2.86Å | ||
| 61 | S | 34.3 | Very low | 54.1 | Low | 117 Ų | 117 | 112.2 Ų | 112.2 | 82% | 0.818 | 59% | 0.587 | S | S | * | * | trans | -72.3 | 81.9 | 170.8 | -177 | 0 | 0 | 0 | 0 | 110 | K59 | K59-S61 PolarHBondContact O-N 2.84Š| ||
| 62 | A | 38.6 | Very low | 51.7 | Low | 81 Ų | 81 | 120.7 Ų | 120.7 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | trans | 47.5 | 96.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | N60 | N60-A62 PolarHBondContact O-N 2.86Š| ||
| 63 | R | 37.6 | Very low | 49.7 | Very low | 236 Ų | 236 | 126.3 Ų | 126.3 | 89% | 0.891 | 65% | 0.653 | S | S | * | * | S | Bend | -154.8 | 108.5 | 118.6 | -64.7 | -165 | 179.4 | 178.3 | -1.4 | 105.6 | |||
| 64 | K | 36.3 | Very low | 47.8 | Very low | 211 Ų | 211 | 130.7 Ų | 130.7 | 92% | 0.917 | 68% | 0.679 | S | S | * | * | S | Bend | -156.6 | 100 | 51.4 | -67.4 | 173.8 | 179.6 | 176 | 0 | 109.5 | |||
| 65 | A | 36.8 | Very low | 45.8 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | trans | -123.5 | 85.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 66 | S | 34.1 | Very low | 43.7 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | trans | 177.3 | 75.2 | 162.5 | -79.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 67 | I | 39.3 | Very low | 41.4 | Very low | 177 Ų | 177 | 141 Ų | 141 | 91% | 0.908 | 75% | 0.753 | S | S | * | * | -127.4 | 118.9 | 129.5 | -104.1 | 170 | 0 | 0 | 0 | 105.2 | |||||
| 68 | V | 37 | Very low | 38.9 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | trans | -82.9 | 147.4 | -162.4 | -161.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 69 | K | 44.3 | Very low | 36.4 | Very low | 183 Ų | 183 | 143 Ų | 143 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | 36.8 | 111.1 | 152.1 | -78.6 | 170.5 | 173.2 | 169.2 | 0 | 116.9 | ||||
| 70 | N | 33.5 | Very low | 34.5 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | -178.8 | 92.5 | 127.5 | -88.5 | -30.8 | 0 | 0 | 0 | 109.7 | |||||
| 71 | L | 34 | Very low | 33.7 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -162.7 | 57.3 | 141.9 | -142.3 | 69.3 | 0 | 0 | 0 | 110.2 | ||||
| 72 | K | 33.7 | Very low | 33.3 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -104.6 | 131.3 | 152.2 | -173.6 | 70.9 | 178.2 | -174.2 | 0 | 105.3 | ||
| 73 | D | 31.9 | Very low | 32.8 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 92.6 | 75.6 | 174.8 | -53.2 | -39.2 | 0 | 0 | 0 | 117.3 | ||||
| 74 | T | 34.1 | Very low | 32.3 | Very low | 119 Ų | 119 | 151 Ų | 151 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | -116 | 62.6 | 145.1 | 85.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 75 | L | 33.6 | Very low | 31.9 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -121.3 | 110 | 152.5 | -72.9 | 176.2 | 0 | 0 | 0 | 105.7 | ||
| 76 | G | 28.8 | Very low | 31.3 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | -64 | 157.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 77 | I | 32.7 | Very low | 31.2 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | trans | -171.9 | 119.6 | 142.8 | -89.3 | 141 | 0 | 0 | 0 | 107.1 | ||||
| 78 | G | 26 | Very low | 30.7 | Very low | 72 Ų | 72 | 148.1 Ų | 148.1 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 100.6 | 105.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 79 | K | 28 | Very low | 30.2 | Very low | 197 Ų | 197 | 149.2 Ų | 149.2 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | 91.5 | 95.3 | 112.7 | -148.9 | 160.5 | -173.7 | 174 | 0 | 120.4 | |||||
| 80 | V | 25.6 | Very low | 29.5 | Very low | 123 Ų | 123 | 148 Ų | 148 | 75% | 0.745 | 80% | 0.804 | S | S | * | * | trans | 40.5 | 129.8 | 137.2 | -110.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 81 | K | 28.7 | Very low | 29.1 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | 151.5 | 116.5 | 126.3 | -86.7 | 170.6 | -178.3 | 177.7 | 0 | 108.1 | |||||
| 82 | S | 25.9 | Very low | 28.9 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | 109.4 | 127.1 | 56 | 159.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 83 | R | 27.8 | Very low | 28.7 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | 81.9 | 143.6 | 158.4 | -69.8 | 161.8 | -177.8 | -166.7 | -1.8 | 117.3 | ||||
| 84 | K | 26.8 | Very low | 28.5 | Very low | 202 Ų | 202 | 138.4 Ų | 138.4 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | cis | -179.7 | 147.3 | -6.7 | 169.9 | 173.2 | 178.9 | 177.8 | 0 | 108.4 | ||||
| 85 | G | 26.7 | Very low | 28.2 | Very low | 75 Ų | 75 | 140 Ų | 140 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 95.2 | 116.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 86 | G | 25.9 | Very low | 28.2 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | 103.9 | 132.3 | 54.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 87 | M | 30.6 | Very low | 28.4 | Very low | 171 Ų | 171 | 142 Ų | 142 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | cis | -164.5 | 154.4 | 24.2 | -82.6 | 142.2 | 60.9 | 0 | 0 | 109.6 | ||||
| 88 | R | 30.3 | Very low | 28.2 | Very low | 212 Ų | 212 | 140.8 Ų | 140.8 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 45.2 | 116 | 138.8 | -65.9 | -165 | 163.6 | 137.9 | -4.4 | 121 | ||||
| 89 | D | 26.1 | Very low | 28.9 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 72% | 0.717 | 79% | 0.791 | S | S | * | * | 76.7 | 114.9 | 89.7 | -60.6 | -35.8 | 0 | 0 | 0 | 113.8 | |||||
| 90 | T | 29.2 | Very low | 29.1 | Very low | 156 Ų | 156 | 138.6 Ų | 138.6 | 96% | 0.957 | 79% | 0.785 | S | S | * | * | trans | -179.2 | 146.8 | 134.8 | 23.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 91 | A | 25.8 | Very low | 29.4 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -96 | 171.2 | -161.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 92 | S | 28.8 | Very low | 29.4 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | 86.6 | 116.5 | 142.2 | 35.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 93 | N | 28.9 | Very low | 29.8 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | 69.4 | 115.3 | 128.4 | -55.8 | -12.4 | 0 | 0 | 0 | 120.6 | |||||
| 94 | A | 29 | Very low | 30.1 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | 173.6 | 129.5 | 105 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 95 | D | 27.3 | Very low | 30.4 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 21.6 | 122.4 | 148.5 | -57.7 | -82.9 | 0 | 0 | 0 | 121.7 | ||||
| 96 | T | 32.9 | Very low | 31 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -154.2 | 106.5 | 135.1 | -66 | 0 | 0 | 0 | 0 | 108.6 | M98 | T96-M98 PolarHBondContact O-N 2.74Š| ||
| 97 | D | 33.3 | Very low | 31.7 | Very low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -60.6 | 122 | 161.8 | -171.8 | -78.2 | 0 | 0 | 0 | 109.2 | ||||
| 98 | M | 28.9 | Very low | 32.3 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 77% | 0.768 | 76% | 0.757 | S | S | * | * | trans | -147.6 | 100.1 | 159.2 | -102.6 | -64.3 | 153.7 | 0 | 0 | 108.9 | T96 T100 | T96-M98 PolarHBondContact O-N 2.74Å; M98-T100 PolarHBondContact O-N 3.13Å | ||
| 99 | S | 41.3 | Very low | 33.7 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | -46.5 | 122.9 | 154.8 | -66.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 100 | T | 30.7 | Very low | 35.5 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -147.2 | 100.8 | 164.9 | -42.6 | 0 | 0 | 0 | 0 | 109.6 | M98 | M98-T100 PolarHBondContact O-N 3.13Š| ||
| 101 | D | 31.8 | Very low | 37.5 | Very low | 146 Ų | 146 | 125 Ų | 125 | 78% | 0.781 | 70% | 0.697 | S | S | * | * | trans | 45.4 | 80.5 | 133.4 | -159.3 | 62.9 | 0 | 0 | 0 | 115.8 | G103 | D101-G103 PolarHBondContact O-N 3.33Š| ||
| 102 | N | 28.7 | Very low | 39.8 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | trans | -77.7 | 75.1 | 161.5 | -149 | 42 | 0 | 0 | 0 | 107.9 | E104 | N102-E104 VanDerWaalsContact C-N 3.32Å; N102-E104 PolarHBondContact O-N 2.96Å | ||
| 103 | G | 35.9 | Very low | 42.2 | Very low | 51 Ų | 51 | 119 Ų | 119 | 53% | 0.526 | 65% | 0.647 | S | S | . | * | trans | -62.4 | 93.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | D101 R105 | D101-G103 PolarHBondContact O-N 3.33Å; G103-R105 PolarHBondContact O-N 3.44Å; G103-R105 VanDerWaalsContact O-N 3.09Å | ||
| 104 | E | 32.7 | Very low | 44.4 | Very low | 161 Ų | 161 | 115.4 Ų | 115.4 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | trans | -58.8 | 114 | -177.8 | -66.5 | -169.6 | 129.7 | 0 | 0 | 110.6 | N102 L106 | N102-E104 VanDerWaalsContact C-N 3.32Å; N102-E104 PolarHBondContact O-N 2.96Å; E104-L106 PolarHBondContact O-N 2.73Å | ||
| 105 | R | 33.9 | Very low | 46.6 | Very low | 200 Ų | 200 | 111 Ų | 111 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | trans | -63.6 | 97.8 | 171.1 | -70.7 | 174.8 | -177.6 | 167.2 | 0.9 | 109.5 | G103 Y107 | G103-R105 PolarHBondContact O-N 3.44Å; G103-R105 VanDerWaalsContact O-N 3.09Å; R105-Y107 VanDerWaalsContact C-N 3.27Å; R105-Y107 HydrophobicContact CB-CE1 4.2Å; R105-Y107 HydrophobicContact CG-CE1 4.36Å; R105-Y107 PolarHBondContact O-N 3.27Å | ||
| 106 | L | 38.7 | Very low | 48 | Very low | 167 Ų | 167 | 108 Ų | 108 | 87% | 0.874 | 57% | 0.568 | S | S | * | * | trans | -75.5 | 69.5 | 167.5 | -70 | 162.4 | 0 | 0 | 0 | 110.6 | E104 | E104-L106 PolarHBondContact O-N 2.73Š| ||
| 107 | Y | 41.8 | Very low | 49.3 | Very low | 158 Ų | 158 | 106.3 Ų | 106.3 | 62% | 0.62 | 55% | 0.55 | S | S | * | . | trans | -162.9 | 37.6 | 167.2 | 48.3 | -98.6 | 0 | 0 | 0 | 115.9 | R105 | R105-Y107 VanDerWaalsContact C-N 3.27Å; R105-Y107 HydrophobicContact CB-CE1 4.2Å; R105-Y107 HydrophobicContact CG-CE1 4.36Å; R105-Y107 PolarHBondContact O-N 3.27Å | ||
| 108 | D | 42.8 | Very low | 50.5 | Low | 129 Ų | 129 | 103.4 Ų | 103.4 | 69% | 0.69 | 54% | 0.54 | S | S | * | . | trans | -141.4 | 71.6 | 162.5 | -82.1 | -59.6 | 0 | 0 | 0 | 108.9 | N110 | D108-N110 PolarHBondContact O-N 2.97Š| ||
| 109 | L | 58.2 | Low | 52 | Low | 78 Ų | 78 | 97.2 Ų | 97.2 | 41% | 0.408 | 51% | 0.509 | S | S | . | . | trans | -74.7 | 116 | 166.2 | -75.5 | 168.2 | 0 | 0 | 0 | 105.4 | V111 V137 M138 K140 | L109-V111 VanDerWaalsContact C-N 3.29Å; L109-V111 HydrophobicContact CB-CG2 3.88Å; L109-V111 HydrophobicContact CD2-CG2 3.75Å; L109-V111 HydrophobicContact CG-CG2 4.35Å; L109-V137 CarbonylContact C-O 3.53Å; L109-V137 CarbonylContact O-C 3.51Å; L109-M138 CarbonylContact O-C 3.41Å; L109-M138 WeakPolarHBondContact O-CA 3.23Å; L109-K140 HydrophobicContact CD1-CD 3.86Å; L109-K140 HydrophobicContact CD1-CG 4.09Å | ||
| 110 | N | 63.9 | Low | 52.8 | Low | 114 Ų | 114 | 96.9 Ų | 96.9 | 61% | 0.61 | 51% | 0.506 | S | S | * | . | trans | -103.3 | 51.4 | 171.6 | -132.3 | 85.2 | 0 | 0 | 0 | 108 | D108 P112 V136 | D108-N110 PolarHBondContact O-N 2.97Å; N110-P112 WeakPolarHBondContact O-CD 3.25Å; N110-V136 WeakPolarHBondContact ND2-CG1 3.36Å | ||
| 111 | V | 71.4 | Confident | 54.3 | Low | 31 Ų | 31 | 92.7 Ų | 92.7 | 19% | 0.188 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.8 | -165 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | L109 A113 V137 E164 | L109-V111 VanDerWaalsContact C-N 3.29Å; L109-V111 HydrophobicContact CB-CG2 3.88Å; L109-V111 HydrophobicContact CD2-CG2 3.75Å; L109-V111 HydrophobicContact CG-CG2 4.35Å; V111-A113 PolarHBondContact O-N 2.86Å; V111-V137 HydrophobicContact CB-CB 4.43Å; V111-V137 PolarHBondContact N-O 3.32Å; V111-V137 PolarHBondContact O-N 2.92Å; V111-E164 HydrophobicContact CG1-CB 4.25Å; V111-E164 HydrophobicContact CG1-CG 4.46Å; V111-E164 WeakPolarHBondContact CG1-OE1 3.42Å |
| 112 | P | 75.8 | Confident | 55 | Low | 56 Ų | 56 | 93.9 Ų | 93.9 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 131.4 | 170.9 | 27.2 | -31.1 | 0 | 0 | 0 | 109.4 | N110 D165 | N110-P112 WeakPolarHBondContact O-CD 3.25Å; P112-D165 HydrophobicContact CB-CB 4.35Å; P112-D165 HydrophobicContact CG-CB 4.26Å; P112-D165 VanDerWaalsContact O-CB 3.31Å; P112-D165 WeakPolarHBondContact O-CB 3.49Å; P112-D165 PolarHBondContact O-N 3.32Å |
| 113 | A | 78.9 | Confident | 56 | Low | 1 Ų | 1 | 91.5 Ų | 91.5 | 1% | 0.008 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | V111 R134 V135 V137 V162 T163 | V111-A113 PolarHBondContact O-N 2.86Å; A113-R134 CarbonylContact O-C 3.59Å; A113-R134 WeakPolarHBondContact O-CA 3.43Å; A113-V135 HydrophobicContact CB-CG2 4.24Å; A113-V135 PolarHBondContact N-O 3.41Å; A113-V135 PolarHBondContact O-N 2.83Å; A113-V137 HydrophobicContact CB-CG2 3.51Å; A113-V162 HydrophobicContact CB-CB 4.04Å; A113-V162 HydrophobicContact CB-CG2 4.17Å; A113-T163 CarbonylContact C-O 3.59Å; A113-T163 VanDerWaalsContact CA-O 3.22Å; A113-T163 WeakPolarHBondContact CA-O 3.45Å; A113-T163 WeakPolarHBondContact CB-O 3.46Å |
| 114 | F | 75.5 | Confident | 56.7 | Low | 84 Ų | 84 | 99 Ų | 99 | 37% | 0.368 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.8 | 176.6 | -164.6 | -95.6 | 0 | 0 | 0 | 110.3 | K116 G132 R134 V162 T163 | F114-K116 PolarHBondContact O-N 3.28Å; F114-G132 WeakPolarHBondContact CE2-O 3.38Å; F114-G132 VanDerWaalsContact CZ-CA 3.45Å; F114-G132 WeakPolarHBondContact CZ-O 3.49Å; F114-R134 HydrophobicContact CD2-CG 4.09Å; F114-V162 CarbonylContact O-C 3.59Å; F114-V162 VanDerWaalsContact O-CA 3.25Å; F114-V162 WeakPolarHBondContact O-CA 2.91Å; F114-T163 PolarHBondContact N-O 3.23Å; F114-T163 PolarHBondContact O-N 2.95Å |
| 115 | V | 74.8 | Confident | 57.9 | Low | 0 Ų | 0 | 94.8 Ų | 94.8 | 0% | 0 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 116.2 | 179.6 | 179.8 | 0 | 0 | 0 | 0 | 110.1 | F117 L129 V130 G132 T133 V135 V162 | V115-F117 WeakPolarHBondContact CG1-O 3.46Å; V115-L129 HydrophobicContact CB-CB 4.48Å; V115-L129 HydrophobicContact CG1-CB 3.57Å; V115-L129 HydrophobicContact CG1-CD1 4.33Å; V115-L129 HydrophobicContact CG2-CB 4.02Å; V115-L129 HydrophobicContact CG2-CD2 4.09Å; V115-L129 HydrophobicContact CG2-CG 4.48Å; V115-V130 VanDerWaalsContact CB-O 3.31Å; V115-V130 WeakPolarHBondContact CB-O 3.26Å; V115-V130 WeakPolarHBondContact CG1-O 2.78Å; V115-G132 PolarHBondContact O-N 3.23Å; V115-T133 WeakPolarHBondContact CB-O 3.4Å; V115-T133 WeakPolarHBondContact CG2-O 3.37Å; V115-T133 PolarHBondContact N-O 3.16Å; V115-V135 HydrophobicContact CG2-CB 4.4Å; V115-V135 HydrophobicContact CG2-CG1 3.57Å; V115-V135 HydrophobicContact CG2-CG2 3.96Å; V115-V162 HydrophobicContact CG2-CG1 4.15Å |
| 116 | K | 56.8 | Low | 59.6 | Low | 88 Ų | 88 | 86.6 Ų | 86.6 | 38% | 0.383 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -81.7 | -34.1 | 177.5 | -76 | -178.8 | 160.5 | 163.3 | 0 | 112.9 | F114 K131 Y161 T163 | F114-K116 PolarHBondContact O-N 3.28Å; K116-K131 WeakPolarHBondContact O-CD 3.38Å; K116-K131 WeakPolarHBondContact O-CE 3.48Å; K116-K131 WeakPolarHBondContact O-CG 3.3Å; K116-Y161 PolarHBondContact N-O 2.92Å; K116-T163 WeakPolarHBondContact CD-OG1 3.28Å; K116-T163 WeakPolarHBondContact CE-OG1 3.28Å; K116-T163 PolarHBondContact NZ-OG1 2.85Å |
| 117 | F | 58.5 | Low | 61.3 | Low | 99 Ų | 99 | 79 Ų | 79 | 43% | 0.434 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -135.4 | 139.6 | -175.8 | -56.4 | -74.4 | 0 | 0 | 0 | 110 | V115 Y119 Y161 | V115-F117 WeakPolarHBondContact CG1-O 3.46Å; F117-Y119 PolarHBondContact O-N 3.07Å; F117-Y161 HydrophobicContact CB-CD1 3.57Å; F117-Y161 HydrophobicContact CB-CE1 3.98Å; F117-Y161 HydrophobicContact CB-CG 4.28Å; F117-Y161 PolarHBondContact N-O 2.74Å |
| 118 | S | 59.8 | Low | 62.6 | Low | 80 Ų | 80 | 74.2 Ų | 74.2 | 56% | 0.559 | 39% | 0.389 | S | S | * | . | trans | -68 | 131.1 | 173 | 43.4 | 0 | 0 | 0 | 0 | 108.7 | L129 | S118-L129 CarbonylContact C-O 3.56Å; S118-L129 WeakPolarHBondContact CA-O 3.41Å | ||
| 119 | Y | 60.6 | Low | 64.3 | Low | 26 Ų | 26 | 68.2 Ų | 68.2 | 10% | 0.102 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -119.2 | 120.8 | 175.4 | 179.7 | -105.1 | 0 | 0 | 0 | 107 | F117 E126 L127 S128 L129 F157 P158 Y161 | F117-Y119 PolarHBondContact O-N 3.07Å; Y119-E126 HydrophobicContact CE1-CB 4.28Å; Y119-E126 WeakPolarHBondContact CE1-OE2 3.19Å; Y119-E126 PolarHBondContact OH-OE2 2.92Å; Y119-L127 WeakPolarHBondContact CD1-O 3.25Å; Y119-S128 CarbonylContact O-C 3.32Å; Y119-S128 WeakPolarHBondContact O-CA 3.15Å; Y119-S128 WeakPolarHBondContact O-CB 3.39Å; Y119-L129 PolarHBondContact N-O 3.18Å; Y119-L129 PolarHBondContact O-N 2.81Å; Y119-F157 HydrophobicContact CD1-CB 4.29Å; Y119-P158 HydrophobicContact CD2-CG 4.13Å; Y119-P158 HydrophobicContact CE2-CG 3.8Å; Y119-Y161 HydrophobicContact CD2-CD1 4.18Å; Y119-Y161 AromaticContact CD2-CE1 3.98Å; Y119-Y161 HydrophobicContact CD2-CE1 3.98Å; Y119-Y161 HydrophobicContact CG-CD1 4.4Å |
| 120 | S | 57.7 | Low | 65 | Low | 97 Ų | 97 | 68.1 Ų | 68.1 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | trans | -86.7 | 121.2 | 170.5 | -75.7 | 0 | 0 | 0 | 0 | 107.6 | E122 | S120-E122 PolarHBondContact O-N 3.27Å; S120-E122 VanDerWaalsContact O-N 3.17Å | ||
| 121 | A | 62.3 | Low | 65.2 | Low | 32 Ų | 32 | 69.1 Ų | 69.1 | 26% | 0.264 | 36% | 0.358 | S | S | . | . | trans | -61.4 | 120.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | R123 E126 S128 | A121-R123 VanDerWaalsContact C-N 3.29Å; A121-E126 HydrophobicContact CB-CB 3.64Å; A121-E126 WeakPolarHBondContact CB-O 3.08Å; A121-S128 WeakPolarHBondContact CB-OG 3.36Å; A121-S128 PolarHBondContact N-OG 3.42Å | ||
| 122 | E | 47.2 | Very low | 64.6 | Low | 170 Ų | 170 | 69.7 Ų | 69.7 | 79% | 0.794 | 37% | 0.37 | S | S | * | . | trans | -88.1 | -10.3 | 178.7 | -60.5 | -171.2 | 148.8 | 0 | 0 | 110.9 | S120 E126 | S120-E122 PolarHBondContact O-N 3.27Å; S120-E122 VanDerWaalsContact O-N 3.17Å; E122-E126 PolarHBondContact N-OE2 2.79Å | ||
| 123 | R | 49.2 | Very low | 64.6 | Low | 99 Ų | 99 | 68.2 Ų | 68.2 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -139 | 160.6 | -174.6 | -60.2 | 172 | 47.2 | 153.2 | -13.7 | 112.3 | F11 A121 D125 E126 | F11-R123 VanDerWaalsContact CZ-CZ 3.41Å; F11-R123 VanDerWaalsContact CZ-NH1 3.33Å; A121-R123 VanDerWaalsContact C-N 3.29Å; R123-D125 VanDerWaalsContact C-N 3.25Å; R123-D125 WeakPolarHBondContact CB-OD1 3.24Å; R123-D125 IonicContact CZ-OD1 2.93Å; R123-D125 IonicContact NE-OD1 3.35Å; R123-D125 PolarHBondContact NE-OD1 2.71Å; R123-D125 VanDerWaalsContact NE-OD1 3.15Å; R123-D125 IonicContact NH2-OD1 2.97Å; R123-D125 IonicContact NH2-OD2 2.75Å; R123-D125 PolarHBondContact NH2-OD2 3.35Å; R123-D125 PolarHBondContact O-N 2.82Å; R123-E126 HydrophobicContact CB-CG 4.07Å; R123-E126 WeakPolarHBondContact CD-OE1 3.06Å; R123-E126 PolarHBondContact O-N 3.03Å |
| 124 | E | 50.7 | Low | 64.5 | Low | 208 Ų | 208 | 75.7 Ų | 75.7 | 97% | 0.972 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -23.8 | -176.1 | -49.6 | -177.2 | 131.3 | 0 | 0 | 113.1 | ||
| 125 | D | 56.7 | Low | 64.7 | Low | 74 Ų | 74 | 71.8 Ų | 71.8 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5.7 | 176.7 | 56 | -35.4 | 0 | 0 | 0 | 113.4 | R123 G155 W156 | R123-D125 VanDerWaalsContact C-N 3.25Å; R123-D125 WeakPolarHBondContact CB-OD1 3.24Å; R123-D125 IonicContact CZ-OD1 2.93Å; R123-D125 IonicContact NE-OD1 3.35Å; R123-D125 PolarHBondContact NE-OD1 2.71Å; R123-D125 VanDerWaalsContact NE-OD1 3.15Å; R123-D125 IonicContact NH2-OD1 2.97Å; R123-D125 IonicContact NH2-OD2 2.75Å; R123-D125 PolarHBondContact NH2-OD2 3.35Å; R123-D125 PolarHBondContact O-N 2.82Å; D125-G155 CarbonylContact O-C 3.52Å; D125-G155 WeakPolarHBondContact O-CA 3.43Å; D125-W156 VanDerWaalsContact O-CD1 3.26Å; D125-W156 PolarHBondContact O-N 3.23Å |
| 126 | E | 70.4 | Confident | 64.9 | Low | 27 Ų | 27 | 74.1 Ų | 74.1 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 149.4 | -177.9 | -70.4 | 176.2 | -168.6 | 0 | 0 | 112.7 | Y119 A121 E122 R123 W145 W156 | Y119-E126 HydrophobicContact CE1-CB 4.28Å; Y119-E126 WeakPolarHBondContact CE1-OE2 3.19Å; Y119-E126 PolarHBondContact OH-OE2 2.92Å; A121-E126 HydrophobicContact CB-CB 3.64Å; A121-E126 WeakPolarHBondContact CB-O 3.08Å; E122-E126 PolarHBondContact N-OE2 2.79Å; R123-E126 HydrophobicContact CB-CG 4.07Å; R123-E126 WeakPolarHBondContact CD-OE1 3.06Å; R123-E126 PolarHBondContact O-N 3.03Å; E126-W145 HydrophobicContact CG-CZ3 4.19Å; E126-W156 CarbonylContact C-O 3.53Å; E126-W156 WeakPolarHBondContact CA-O 3.4Å; E126-W156 WeakPolarHBondContact CB-O 3.33Å |
| 127 | L | 74.3 | Confident | 66 | Low | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -103.3 | 119.6 | 176.8 | -174.2 | 67.6 | 0 | 0 | 0 | 109.7 | Y119 L129 G148 R153 W156 F157 | Y119-L127 WeakPolarHBondContact CD1-O 3.25Å; L127-L129 HydrophobicContact CD2-CD2 4.31Å; L127-L129 PolarHBondContact O-N 3.34Å; L127-G148 WeakPolarHBondContact CD2-O 3.39Å; L127-R153 HydrophobicContact CD1-CB 4.01Å; L127-R153 WeakPolarHBondContact CD1-O 3.38Å; L127-W156 PolarHBondContact N-O 2.77Å; L127-F157 HydrophobicContact CB-CD1 4.02Å; L127-F157 HydrophobicContact CD2-CD1 3.99Å; L127-F157 HydrophobicContact CD2-CE1 3.94Å |
| 128 | S | 69.6 | Low | 66.6 | Low | 58 Ų | 58 | 68.2 Ų | 68.2 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 128 | 171.9 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | Y119 A121 | Y119-S128 CarbonylContact O-C 3.32Å; Y119-S128 WeakPolarHBondContact O-CA 3.15Å; Y119-S128 WeakPolarHBondContact O-CB 3.39Å; A121-S128 WeakPolarHBondContact CB-OG 3.36Å; A121-S128 PolarHBondContact N-OG 3.42Å |
| 129 | L | 77.4 | Confident | 67.2 | Low | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -100.8 | 137.6 | 175.8 | -53.7 | 177.4 | 0 | 0 | 0 | 109.3 | V115 S118 Y119 L127 V135 F157 V162 | V115-L129 HydrophobicContact CB-CB 4.48Å; V115-L129 HydrophobicContact CG1-CB 3.57Å; V115-L129 HydrophobicContact CG1-CD1 4.33Å; V115-L129 HydrophobicContact CG2-CB 4.02Å; V115-L129 HydrophobicContact CG2-CD2 4.09Å; V115-L129 HydrophobicContact CG2-CG 4.48Å; S118-L129 CarbonylContact C-O 3.56Å; S118-L129 WeakPolarHBondContact CA-O 3.41Å; Y119-L129 PolarHBondContact N-O 3.18Å; Y119-L129 PolarHBondContact O-N 2.81Å; L127-L129 HydrophobicContact CD2-CD2 4.31Å; L127-L129 PolarHBondContact O-N 3.34Å; L129-V135 HydrophobicContact CD2-CB 4.5Å; L129-V135 HydrophobicContact CD2-CG1 3.83Å; L129-V135 HydrophobicContact CD2-CG2 4.29Å; L129-F157 HydrophobicContact CD1-CB 3.73Å; L129-F157 HydrophobicContact CD1-CD2 3.74Å; L129-F157 HydrophobicContact CD1-CE2 4.49Å; L129-F157 HydrophobicContact CD1-CG 3.78Å; L129-F157 HydrophobicContact CD2-CB 4.17Å; L129-F157 HydrophobicContact CD2-CD1 3.79Å; L129-F157 HydrophobicContact CD2-CD2 4.24Å; L129-F157 HydrophobicContact CD2-CE1 4.1Å; L129-F157 HydrophobicContact CD2-CG 3.81Å; L129-F157 HydrophobicContact CD2-CZ 4.49Å; L129-F157 HydrophobicContact CG-CB 3.93Å; L129-F157 HydrophobicContact CG-CD1 4.49Å; L129-F157 HydrophobicContact CG-CD2 4.46Å; L129-F157 HydrophobicContact CG-CG 4.07Å; L129-V162 HydrophobicContact CD1-CG1 3.67Å; L129-V162 HydrophobicContact CD2-CG1 4.47Å |
| 130 | V | 73 | Confident | 67.7 | Low | 75 Ų | 75 | 70.4 Ų | 70.4 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | trans | -108 | 122 | 172.8 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | V115 G132 T133 Y150 | V115-V130 VanDerWaalsContact CB-O 3.31Å; V115-V130 WeakPolarHBondContact CB-O 3.26Å; V115-V130 WeakPolarHBondContact CG1-O 2.78Å; V130-G132 PolarHBondContact O-N 3.4Å; V130-T133 HydrophobicContact CB-CG2 3.69Å; V130-T133 HydrophobicContact CG1-CG2 3.82Å; V130-T133 WeakPolarHBondContact O-CB 3.16Å; V130-T133 WeakPolarHBondContact O-CG2 3.07Å; V130-T133 PolarHBondContact O-N 2.64Å; V130-T133 PolarHBondContact O-OG1 3Å; V130-Y150 HydrophobicContact CG2-CE1 4.42Å | ||
| 131 | K | 69.3 | Low | 67.5 | Low | 136 Ų | 136 | 67.7 Ų | 67.7 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 131.3 | 177.4 | 179.9 | 170.5 | -178.4 | 179.7 | 0 | 110.6 | K116 | K116-K131 WeakPolarHBondContact O-CD 3.38Å; K116-K131 WeakPolarHBondContact O-CE 3.48Å; K116-K131 WeakPolarHBondContact O-CG 3.3Å |
| 132 | G | 59.1 | Low | 66.7 | Low | 42 Ų | 42 | 72.7 Ų | 72.7 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 0.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F114 V115 V130 | F114-G132 WeakPolarHBondContact CE2-O 3.38Å; F114-G132 VanDerWaalsContact CZ-CA 3.45Å; F114-G132 WeakPolarHBondContact CZ-O 3.49Å; V115-G132 PolarHBondContact O-N 3.23Å; V130-G132 PolarHBondContact O-N 3.4Å |
| 133 | T | 74.5 | Confident | 66.6 | Low | 26 Ų | 26 | 69.3 Ų | 69.3 | 16% | 0.16 | 36% | 0.363 | C | S | . | . | trans | -97.2 | 159.8 | 178.3 | 67.5 | 0 | 0 | 0 | 0 | 111.8 | V115 V130 Y150 | V115-T133 WeakPolarHBondContact CB-O 3.4Å; V115-T133 WeakPolarHBondContact CG2-O 3.37Å; V115-T133 PolarHBondContact N-O 3.16Å; V130-T133 HydrophobicContact CB-CG2 3.69Å; V130-T133 HydrophobicContact CG1-CG2 3.82Å; V130-T133 WeakPolarHBondContact O-CB 3.16Å; V130-T133 WeakPolarHBondContact O-CG2 3.07Å; V130-T133 PolarHBondContact O-N 2.64Å; V130-T133 PolarHBondContact O-OG1 3Å; T133-Y150 HydrophobicContact CG2-CE2 4.33Å; T133-Y150 WeakPolarHBondContact CG2-OH 3.31Å | ||
| 134 | R | 76.8 | Confident | 67.2 | Low | 158 Ų | 158 | 66 Ų | 66 | 60% | 0.596 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.5 | 176.1 | -68.8 | 178.8 | -179.3 | -121.8 | -2.5 | 109.3 | A113 F114 Y150 D165 | A113-R134 CarbonylContact O-C 3.59Å; A113-R134 WeakPolarHBondContact O-CA 3.43Å; F114-R134 HydrophobicContact CD2-CG 4.09Å; R134-Y150 WeakPolarHBondContact O-CD2 3.36Å; R134-D165 IonicContact CZ-OD1 2.92Å; R134-D165 IonicContact NH1-OD1 3.61Å; R134-D165 PolarHBondContact NH1-OD1 3.39Å |
| 135 | V | 80.6 | Confident | 68.2 | Low | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.6 | 175.8 | -59.8 | 0 | 0 | 0 | 0 | 109.4 | A113 V115 L129 Y150 F157 V162 | A113-V135 HydrophobicContact CB-CG2 4.24Å; A113-V135 PolarHBondContact N-O 3.41Å; A113-V135 PolarHBondContact O-N 2.83Å; V115-V135 HydrophobicContact CG2-CB 4.4Å; V115-V135 HydrophobicContact CG2-CG1 3.57Å; V115-V135 HydrophobicContact CG2-CG2 3.96Å; L129-V135 HydrophobicContact CD2-CB 4.5Å; L129-V135 HydrophobicContact CD2-CG1 3.83Å; L129-V135 HydrophobicContact CD2-CG2 4.29Å; V135-Y150 HydrophobicContact CG1-CD2 3.77Å; V135-Y150 HydrophobicContact CG1-CG 3.86Å; V135-F157 HydrophobicContact CG2-CE1 4.45Å; V135-F157 HydrophobicContact CG2-CZ 3.95Å; V135-V162 HydrophobicContact CG2-CG1 3.91Å |
| 136 | V | 78.5 | Confident | 69.3 | Low | 50 Ų | 50 | 57.9 Ų | 57.9 | 30% | 0.303 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 110.7 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | N110 M138 G148 S149 | N110-V136 WeakPolarHBondContact ND2-CG1 3.36Å; V136-M138 HydrophobicContact CG1-CG 4.44Å; V136-M138 PolarHBondContact O-N 2.86Å; V136-G148 CarbonylContact O-C 3.53Å; V136-G148 WeakPolarHBondContact O-CA 3.48Å; V136-S149 PolarHBondContact N-O 2.84Å; V136-S149 PolarHBondContact O-N 3.38Å |
| 137 | V | 80.3 | Confident | 69.5 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.9 | 171.8 | -179 | 0 | 0 | 0 | 0 | 107.5 | L109 V111 A113 K140 W146 F157 | L109-V137 CarbonylContact C-O 3.53Å; L109-V137 CarbonylContact O-C 3.51Å; V111-V137 HydrophobicContact CB-CB 4.43Å; V111-V137 PolarHBondContact N-O 3.32Å; V111-V137 PolarHBondContact O-N 2.92Å; A113-V137 HydrophobicContact CB-CG2 3.51Å; V137-K140 HydrophobicContact CG1-CG 3.87Å; V137-W146 HydrophobicContact CB-CE3 4.37Å; V137-W146 HydrophobicContact CG1-CB 4.31Å; V137-W146 HydrophobicContact CG1-CD2 4.17Å; V137-W146 HydrophobicContact CG1-CE3 3.82Å; V137-W146 HydrophobicContact CG1-CG 4.4Å; V137-W146 HydrophobicContact CG2-CE3 3.61Å; V137-W146 HydrophobicContact CG2-CZ3 4.01Å; V137-F157 HydrophobicContact CG2-CZ 4.1Å |
| 138 | M | 70.5 | Confident | 69.9 | Low | 63 Ų | 63 | 61 Ų | 61 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -36.6 | -179.2 | -63.7 | -173.2 | 74.9 | 0 | 0 | 112 | L109 V136 R147 | L109-M138 CarbonylContact O-C 3.41Å; L109-M138 WeakPolarHBondContact O-CA 3.23Å; V136-M138 HydrophobicContact CG1-CG 4.44Å; V136-M138 PolarHBondContact O-N 2.86Å; M138-R147 PolarHBondContact N-O 3.37Å |
| 139 | E | 72.9 | Confident | 70.2 | Confident | 79 Ų | 79 | 59.6 Ų | 59.6 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 141.3 | -174.5 | -155 | 175.6 | 157.5 | 0 | 0 | 110 | W146 R147 W156 | E139-W146 CarbonylContact O-C 3.59Å; E139-W146 WeakPolarHBondContact O-CA 3.3Å; E139-R147 HydrophobicContact CB-CB 3.53Å; E139-R147 PolarHBondContact N-O 2.88Å; E139-R147 PolarHBondContact O-N 3.07Å; E139-R147 WeakPolarHBondContact OE2-CD 3.37Å; E139-R147 IonicContact OE2-NH1 2.73Å; E139-W156 HydrophobicContact CB-CH2 4.42Å; E139-W156 HydrophobicContact CG-CH2 4.28Å |
| 140 | K | 69.8 | Low | 70.2 | Confident | 73 Ų | 73 | 62 Ų | 62 | 32% | 0.317 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 112.1 | 175.4 | -63 | -175.9 | -175.9 | 171.1 | 0 | 109.1 | L109 V137 W146 E164 | L109-K140 HydrophobicContact CD1-CD 3.86Å; L109-K140 HydrophobicContact CD1-CG 4.09Å; V137-K140 HydrophobicContact CG1-CG 3.87Å; K140-W146 HydrophobicContact CB-CG 4.47Å; K140-W146 HydrophobicContact CD-CD2 4.38Å; K140-W146 HydrophobicContact CD-CH2 4.46Å; K140-W146 HydrophobicContact CD-CZ2 3.91Å; K140-W146 HydrophobicContact CG-CD2 3.96Å; K140-W146 HydrophobicContact CG-CG 4.06Å; K140-W146 HydrophobicContact CG-CZ2 4.37Å; K140-E164 WeakPolarHBondContact CE-OE1 3.19Å; K140-E164 IonicContact NZ-OE1 3.79Å; K140-E164 PolarHBondContact NZ-OE1 2.8Å; K140-E164 IonicContact NZ-OE2 2.71Å; K140-E164 PolarHBondContact NZ-OE2 2.88Å |
| 141 | C | 55.2 | Low | 69.8 | Low | 39 Ų | 39 | 64.4 Ų | 64.4 | 26% | 0.264 | 34% | 0.335 | S | S | . | . | trans | -88.8 | 146.2 | 172.9 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | D143 G144 W145 W156 | C141-D143 WeakPolarHBondContact CB-OD1 3.43Å; C141-D143 PolarHBondContact O-N 2.8Å; C141-G144 PolarHBondContact O-N 3.12Å; C141-W145 VanDerWaalsContact CB-O 3.31Å; C141-W145 WeakPolarHBondContact CB-O 3.25Å; C141-W145 PolarHBondContact N-O 3.41Å; C141-W156 HydrophobicContact CB-CZ3 4.4Å; C141-W156 WeakPolarHBondContact SG-CH2 3.5Å; C141-W156 WeakPolarHBondContact SG-CZ3 3.29Å | ||
| 142 | S | 45.2 | Very low | 69.6 | Low | 138 Ų | 138 | 61.6 Ų | 61.6 | 97% | 0.965 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -1 | -179 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 143 | D | 45.4 | Very low | 69.4 | Low | 99 Ų | 99 | 68.7 Ų | 68.7 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3.6 | 175.3 | 66.4 | -14.7 | 0 | 0 | 0 | 113 | C141 W145 | C141-D143 WeakPolarHBondContact CB-OD1 3.43Å; C141-D143 PolarHBondContact O-N 2.8Å; D143-W145 PolarHBondContact OD1-N 3.4Å |
| 144 | G | 61.2 | Low | 69.4 | Low | 29 Ų | 29 | 70.4 Ų | 70.4 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | S | Bend | trans | 89.1 | 6.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C141 S159 | C141-G144 PolarHBondContact O-N 3.12Å; G144-S159 WeakPolarHBondContact O-CB 3.25Å; G144-S159 PolarHBondContact O-N 3.45Å; G144-S159 PolarHBondContact O-OG 3.44Å |
| 145 | W | 71.6 | Confident | 69.2 | Low | 78 Ų | 78 | 63 Ų | 63 | 30% | 0.295 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.7 | 174.2 | -74.3 | 83.7 | 0 | 0 | 0 | 111.4 | E126 C141 D143 W156 P158 | E126-W145 HydrophobicContact CG-CZ3 4.19Å; C141-W145 VanDerWaalsContact CB-O 3.31Å; C141-W145 WeakPolarHBondContact CB-O 3.25Å; C141-W145 PolarHBondContact N-O 3.41Å; D143-W145 PolarHBondContact OD1-N 3.4Å; W145-W156 HydrophobicContact CB-CE3 4.22Å; W145-W156 HydrophobicContact CE3-CB 3.89Å; W145-W156 HydrophobicContact CZ3-CB 4.31Å; W145-P158 HydrophobicContact CH2-CG 4.21Å; W145-P158 HydrophobicContact CZ3-CG 4.21Å |
| 146 | W | 79.9 | Confident | 68.8 | Low | 33 Ų | 33 | 66 Ų | 66 | 13% | 0.125 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.6 | 175.8 | -70.2 | 6.3 | 0 | 0 | 0 | 109.4 | V137 E139 K140 W156 F157 S159 V162 E164 | V137-W146 HydrophobicContact CB-CE3 4.37Å; V137-W146 HydrophobicContact CG1-CB 4.31Å; V137-W146 HydrophobicContact CG1-CD2 4.17Å; V137-W146 HydrophobicContact CG1-CE3 3.82Å; V137-W146 HydrophobicContact CG1-CG 4.4Å; V137-W146 HydrophobicContact CG2-CE3 3.61Å; V137-W146 HydrophobicContact CG2-CZ3 4.01Å; E139-W146 CarbonylContact O-C 3.59Å; E139-W146 WeakPolarHBondContact O-CA 3.3Å; K140-W146 HydrophobicContact CB-CG 4.47Å; K140-W146 HydrophobicContact CD-CD2 4.38Å; K140-W146 HydrophobicContact CD-CH2 4.46Å; K140-W146 HydrophobicContact CD-CZ2 3.91Å; K140-W146 HydrophobicContact CG-CD2 3.96Å; K140-W146 HydrophobicContact CG-CG 4.06Å; K140-W146 HydrophobicContact CG-CZ2 4.37Å; W146-W156 CarbonylContact O-C 3.3Å; W146-W156 WeakPolarHBondContact O-CA 3.49Å; W146-F157 HydrophobicContact CB-CD2 4.23Å; W146-F157 HydrophobicContact CB-CE2 3.79Å; W146-F157 HydrophobicContact CB-CZ 4.23Å; W146-F157 HydrophobicContact CE3-CE2 4.42Å; W146-F157 PolarHBondContact N-O 3.45Å; W146-F157 PolarHBondContact O-N 2.98Å; W146-F157 VanDerWaalsContact O-O 3.08Å; W146-S159 VanDerWaalsContact NE1-CB 3.28Å; W146-V162 HydrophobicContact CE3-CG2 3.45Å; W146-V162 VanDerWaalsContact CE3-CG2 3.45Å; W146-V162 HydrophobicContact CZ3-CG2 3.5Å; W146-V162 VanDerWaalsContact CZ3-CG2 3.5Å; W146-E164 HydrophobicContact CH2-CG 3.62Å; W146-E164 HydrophobicContact CZ3-CG 3.76Å |
| 147 | R | 75.2 | Confident | 68.7 | Low | 100 Ų | 100 | 63.6 Ų | 63.6 | 38% | 0.377 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.1 | 168.9 | -158.5 | 178.8 | 175.5 | -157.3 | -3.5 | 107.8 | M138 E139 G155 W156 | M138-R147 PolarHBondContact N-O 3.37Å; E139-R147 HydrophobicContact CB-CB 3.53Å; E139-R147 PolarHBondContact N-O 2.88Å; E139-R147 PolarHBondContact O-N 3.07Å; E139-R147 WeakPolarHBondContact OE2-CD 3.37Å; E139-R147 IonicContact OE2-NH1 2.73Å; R147-G155 WeakPolarHBondContact CA-O 3.39Å; R147-W156 HydrophobicContact CB-CD2 3.99Å; R147-W156 HydrophobicContact CB-CE3 3.68Å; R147-W156 HydrophobicContact CB-CH2 3.87Å; R147-W156 HydrophobicContact CB-CZ2 4.17Å; R147-W156 HydrophobicContact CB-CZ3 3.62Å; R147-W156 HydrophobicContact CG-CD2 4.08Å; R147-W156 HydrophobicContact CG-CE3 4.29Å; R147-W156 HydrophobicContact CG-CH2 4.42Å; R147-W156 HydrophobicContact CG-CZ2 4.21Å; R147-W156 HydrophobicContact CG-CZ3 4.46Å |
| 148 | G | 81.3 | Confident | 68 | Low | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | -177.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L127 V136 S154 G155 F157 | L127-G148 WeakPolarHBondContact CD2-O 3.39Å; V136-G148 CarbonylContact O-C 3.53Å; V136-G148 WeakPolarHBondContact O-CA 3.48Å; G148-S154 CarbonylContact O-C 3.43Å; G148-S154 WeakPolarHBondContact O-CA 3.22Å; G148-G155 PolarHBondContact N-O 2.81Å; G148-G155 PolarHBondContact O-N 3.13Å; G148-F157 VanDerWaalsContact CA-CE1 3.49Å; G148-F157 VanDerWaalsContact N-CE1 3.28Å |
| 149 | S | 76.8 | Confident | 68.2 | Low | 30 Ų | 30 | 62.7 Ų | 62.7 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.3 | -178.3 | -164.7 | 0 | 0 | 0 | 0 | 110.7 | V136 R153 S154 | V136-S149 PolarHBondContact N-O 2.84Å; V136-S149 PolarHBondContact O-N 3.38Å; S149-R153 CarbonylContact C-O 3.54Å; S149-R153 VanDerWaalsContact CA-O 3.28Å; S149-R153 WeakPolarHBondContact CA-O 3.49Å; S149-R153 PolarHBondContact OG-O 2.94Å; S149-S154 WeakPolarHBondContact CB-OG 3.45Å; S149-S154 PolarHBondContact OG-OG 3.29Å; S149-S154 VanDerWaalsContact OG-OG 3.05Å |
| 150 | Y | 77.9 | Confident | 68 | Low | 54 Ų | 54 | 64.8 Ų | 64.8 | 21% | 0.212 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 128 | 176.5 | -177.1 | -117.9 | 0 | 0 | 0 | 109.9 | V130 T133 R134 V135 G152 R153 | V130-Y150 HydrophobicContact CG2-CE1 4.42Å; T133-Y150 HydrophobicContact CG2-CE2 4.33Å; T133-Y150 WeakPolarHBondContact CG2-OH 3.31Å; R134-Y150 WeakPolarHBondContact O-CD2 3.36Å; V135-Y150 HydrophobicContact CG1-CD2 3.77Å; V135-Y150 HydrophobicContact CG1-CG 3.86Å; Y150-G152 VanDerWaalsContact C-N 3.25Å; Y150-G152 PolarHBondContact O-N 2.98Å; Y150-R153 PolarHBondContact N-O 3.31Å; Y150-R153 PolarHBondContact O-N 2.9Å; Y150-R153 VanDerWaalsContact O-O 3.13Å |
| 151 | N | 64.6 | Low | 67.8 | Low | 125 Ų | 125 | 65.2 Ų | 65.2 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 39.6 | -178.6 | -76.8 | -45.7 | 0 | 0 | 0 | 114.4 | R153 | N151-R153 PolarHBondContact O-N 3.35Š|
| 152 | G | 63.6 | Low | 68.8 | Low | 76 Ų | 76 | 63.7 Ų | 63.7 | 78% | 0.784 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 3.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y150 | Y150-G152 VanDerWaalsContact C-N 3.25Å; Y150-G152 PolarHBondContact O-N 2.98Å |
| 153 | R | 55.6 | Low | 70.3 | Confident | 191 Ų | 191 | 59.7 Ų | 59.7 | 72% | 0.721 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.7 | 169.1 | -76.1 | -174.8 | -89.8 | -140.5 | -2.2 | 109.4 | L127 S149 Y150 N151 | L127-R153 HydrophobicContact CD1-CB 4.01Å; L127-R153 WeakPolarHBondContact CD1-O 3.38Å; S149-R153 CarbonylContact C-O 3.54Å; S149-R153 VanDerWaalsContact CA-O 3.28Å; S149-R153 WeakPolarHBondContact CA-O 3.49Å; S149-R153 PolarHBondContact OG-O 2.94Å; Y150-R153 PolarHBondContact N-O 3.31Å; Y150-R153 PolarHBondContact O-N 2.9Å; Y150-R153 VanDerWaalsContact O-O 3.13Å; N151-R153 PolarHBondContact O-N 3.35Å |
| 154 | S | 75.3 | Confident | 71.6 | Confident | 63 Ų | 63 | 58.1 Ų | 58.1 | 44% | 0.441 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.4 | 177.4 | -56.2 | 0 | 0 | 0 | 0 | 109.9 | G148 S149 | G148-S154 CarbonylContact O-C 3.43Å; G148-S154 WeakPolarHBondContact O-CA 3.22Å; S149-S154 WeakPolarHBondContact CB-OG 3.45Å; S149-S154 PolarHBondContact OG-OG 3.29Å; S149-S154 VanDerWaalsContact OG-OG 3.05Å |
| 155 | G | 71 | Confident | 71.7 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D125 R147 G148 | D125-G155 CarbonylContact O-C 3.52Å; D125-G155 WeakPolarHBondContact O-CA 3.43Å; R147-G155 WeakPolarHBondContact CA-O 3.39Å; G148-G155 PolarHBondContact N-O 2.81Å; G148-G155 PolarHBondContact O-N 3.13Å |
| 156 | W | 74 | Confident | 70.7 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 24% | 0.239 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 141.5 | -178.6 | -61.9 | 99.2 | 0 | 0 | 0 | 111.4 | D125 E126 L127 E139 C141 W145 W146 R147 | D125-W156 VanDerWaalsContact O-CD1 3.26Å; D125-W156 PolarHBondContact O-N 3.23Å; E126-W156 CarbonylContact C-O 3.53Å; E126-W156 WeakPolarHBondContact CA-O 3.4Å; E126-W156 WeakPolarHBondContact CB-O 3.33Å; L127-W156 PolarHBondContact N-O 2.77Å; E139-W156 HydrophobicContact CB-CH2 4.42Å; E139-W156 HydrophobicContact CG-CH2 4.28Å; C141-W156 HydrophobicContact CB-CZ3 4.4Å; C141-W156 WeakPolarHBondContact SG-CH2 3.5Å; C141-W156 WeakPolarHBondContact SG-CZ3 3.29Å; W145-W156 HydrophobicContact CB-CE3 4.22Å; W145-W156 HydrophobicContact CE3-CB 3.89Å; W145-W156 HydrophobicContact CZ3-CB 4.31Å; W146-W156 CarbonylContact O-C 3.3Å; W146-W156 WeakPolarHBondContact O-CA 3.49Å; R147-W156 HydrophobicContact CB-CD2 3.99Å; R147-W156 HydrophobicContact CB-CE3 3.68Å; R147-W156 HydrophobicContact CB-CH2 3.87Å; R147-W156 HydrophobicContact CB-CZ2 4.17Å; R147-W156 HydrophobicContact CB-CZ3 3.62Å; R147-W156 HydrophobicContact CG-CD2 4.08Å; R147-W156 HydrophobicContact CG-CE3 4.29Å; R147-W156 HydrophobicContact CG-CH2 4.42Å; R147-W156 HydrophobicContact CG-CZ2 4.21Å; R147-W156 HydrophobicContact CG-CZ3 4.46Å |
| 157 | F | 74.9 | Confident | 68.8 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154.8 | 173.3 | 54.7 | -96.8 | 0 | 0 | 0 | 110.1 | Y119 L127 L129 V135 V137 W146 G148 S159 V162 | Y119-F157 HydrophobicContact CD1-CB 4.29Å; L127-F157 HydrophobicContact CB-CD1 4.02Å; L127-F157 HydrophobicContact CD2-CD1 3.99Å; L127-F157 HydrophobicContact CD2-CE1 3.94Å; L129-F157 HydrophobicContact CD1-CB 3.73Å; L129-F157 HydrophobicContact CD1-CD2 3.74Å; L129-F157 HydrophobicContact CD1-CE2 4.49Å; L129-F157 HydrophobicContact CD1-CG 3.78Å; L129-F157 HydrophobicContact CD2-CB 4.17Å; L129-F157 HydrophobicContact CD2-CD1 3.79Å; L129-F157 HydrophobicContact CD2-CD2 4.24Å; L129-F157 HydrophobicContact CD2-CE1 4.1Å; L129-F157 HydrophobicContact CD2-CG 3.81Å; L129-F157 HydrophobicContact CD2-CZ 4.49Å; L129-F157 HydrophobicContact CG-CB 3.93Å; L129-F157 HydrophobicContact CG-CD1 4.49Å; L129-F157 HydrophobicContact CG-CD2 4.46Å; L129-F157 HydrophobicContact CG-CG 4.07Å; V135-F157 HydrophobicContact CG2-CE1 4.45Å; V135-F157 HydrophobicContact CG2-CZ 3.95Å; V137-F157 HydrophobicContact CG2-CZ 4.1Å; W146-F157 HydrophobicContact CB-CD2 4.23Å; W146-F157 HydrophobicContact CB-CE2 3.79Å; W146-F157 HydrophobicContact CB-CZ 4.23Å; W146-F157 HydrophobicContact CE3-CE2 4.42Å; W146-F157 PolarHBondContact N-O 3.45Å; W146-F157 PolarHBondContact O-N 2.98Å; W146-F157 VanDerWaalsContact O-O 3.08Å; G148-F157 VanDerWaalsContact CA-CE1 3.49Å; G148-F157 VanDerWaalsContact N-CE1 3.28Å; F157-S159 PolarHBondContact O-N 2.85Å; F157-V162 HydrophobicContact CD2-CG1 3.92Å; F157-V162 HydrophobicContact CD2-CG2 4.37Å; F157-V162 HydrophobicContact CE2-CB 4.23Å; F157-V162 HydrophobicContact CE2-CG1 3.53Å; F157-V162 HydrophobicContact CE2-CG2 3.64Å; F157-V162 HydrophobicContact CZ-CG1 4.26Å |
| 158 | P | 67.1 | Low | 67.1 | Low | 22 Ų | 22 | 65.5 Ų | 65.5 | 14% | 0.143 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 135.4 | -179.5 | -14 | 27.6 | 0 | 0 | 0 | 110.8 | Y119 W145 N160 Y161 | Y119-P158 HydrophobicContact CD2-CG 4.13Å; Y119-P158 HydrophobicContact CE2-CG 3.8Å; W145-P158 HydrophobicContact CH2-CG 4.21Å; W145-P158 HydrophobicContact CZ3-CG 4.21Å; P158-N160 PolarHBondContact O-N 2.85Å; P158-N160 VanDerWaalsContact O-N 3.13Å; P158-Y161 HydrophobicContact CB-CD2 3.69Å; P158-Y161 HydrophobicContact CB-CE2 4.04Å; P158-Y161 HydrophobicContact CG-CD2 3.97Å; P158-Y161 HydrophobicContact CG-CE2 4.08Å; P158-Y161 PolarHBondContact O-N 3.2Å; P158-Y161 VanDerWaalsContact O-N 3.11Å |
| 159 | S | 73.2 | Confident | 64.8 | Low | 22 Ų | 22 | 71.6 Ų | 71.6 | 15% | 0.154 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -59.5 | -28.8 | -177.2 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | G144 W146 F157 Y161 V162 | G144-S159 WeakPolarHBondContact O-CB 3.25Å; G144-S159 PolarHBondContact O-N 3.45Å; G144-S159 PolarHBondContact O-OG 3.44Å; W146-S159 VanDerWaalsContact NE1-CB 3.28Å; F157-S159 PolarHBondContact O-N 2.85Å; S159-Y161 PolarHBondContact O-N 2.91Å; S159-V162 PolarHBondContact O-N 3.46Å |
| 160 | N | 69.4 | Low | 63 | Low | 124 Ų | 124 | 75.3 Ų | 75.3 | 66% | 0.663 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -68.6 | -12.8 | -178.3 | -64.1 | -11.3 | 0 | 0 | 0 | 113.3 | P158 | P158-N160 PolarHBondContact O-N 2.85Å; P158-N160 VanDerWaalsContact O-N 3.13Å |
| 161 | Y | 66.3 | Low | 60.7 | Low | 81 Ų | 81 | 76.6 Ų | 76.6 | 32% | 0.318 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -91.2 | -6 | -177 | -75.2 | -116.3 | 0 | 0 | 0 | 112.7 | K116 F117 Y119 P158 S159 | K116-Y161 PolarHBondContact N-O 2.92Å; F117-Y161 HydrophobicContact CB-CD1 3.57Å; F117-Y161 HydrophobicContact CB-CE1 3.98Å; F117-Y161 HydrophobicContact CB-CG 4.28Å; F117-Y161 PolarHBondContact N-O 2.74Å; Y119-Y161 HydrophobicContact CD2-CD1 4.18Å; Y119-Y161 AromaticContact CD2-CE1 3.98Å; Y119-Y161 HydrophobicContact CD2-CE1 3.98Å; Y119-Y161 HydrophobicContact CG-CD1 4.4Å; P158-Y161 HydrophobicContact CB-CD2 3.69Å; P158-Y161 HydrophobicContact CB-CE2 4.04Å; P158-Y161 HydrophobicContact CG-CD2 3.97Å; P158-Y161 HydrophobicContact CG-CE2 4.08Å; P158-Y161 PolarHBondContact O-N 3.2Å; P158-Y161 VanDerWaalsContact O-N 3.11Å; S159-Y161 PolarHBondContact O-N 2.91Å |
| 162 | V | 75.9 | Confident | 59.2 | Low | 7 Ų | 7 | 74.6 Ų | 74.6 | 4% | 0.042 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 165 | -179.2 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | A113 F114 V115 L129 V135 W146 F157 S159 | A113-V162 HydrophobicContact CB-CB 4.04Å; A113-V162 HydrophobicContact CB-CG2 4.17Å; F114-V162 CarbonylContact O-C 3.59Å; F114-V162 VanDerWaalsContact O-CA 3.25Å; F114-V162 WeakPolarHBondContact O-CA 2.91Å; V115-V162 HydrophobicContact CG2-CG1 4.15Å; L129-V162 HydrophobicContact CD1-CG1 3.67Å; L129-V162 HydrophobicContact CD2-CG1 4.47Å; V135-V162 HydrophobicContact CG2-CG1 3.91Å; W146-V162 HydrophobicContact CE3-CG2 3.45Å; W146-V162 VanDerWaalsContact CE3-CG2 3.45Å; W146-V162 HydrophobicContact CZ3-CG2 3.5Å; W146-V162 VanDerWaalsContact CZ3-CG2 3.5Å; F157-V162 HydrophobicContact CD2-CG1 3.92Å; F157-V162 HydrophobicContact CD2-CG2 4.37Å; F157-V162 HydrophobicContact CE2-CB 4.23Å; F157-V162 HydrophobicContact CE2-CG1 3.53Å; F157-V162 HydrophobicContact CE2-CG2 3.64Å; F157-V162 HydrophobicContact CZ-CG1 4.26Å; S159-V162 PolarHBondContact O-N 3.46Å |
| 163 | T | 76.4 | Confident | 57.6 | Low | 54 Ų | 54 | 75.1 Ų | 75.1 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 132.7 | 171.9 | -69.3 | 0 | 0 | 0 | 0 | 109.4 | A113 F114 K116 D165 | A113-T163 CarbonylContact C-O 3.59Å; A113-T163 VanDerWaalsContact CA-O 3.22Å; A113-T163 WeakPolarHBondContact CA-O 3.45Å; A113-T163 WeakPolarHBondContact CB-O 3.46Å; F114-T163 PolarHBondContact N-O 3.23Å; F114-T163 PolarHBondContact O-N 2.95Å; K116-T163 WeakPolarHBondContact CD-OG1 3.28Å; K116-T163 WeakPolarHBondContact CE-OG1 3.28Å; K116-T163 PolarHBondContact NZ-OG1 2.85Å; T163-D165 PolarHBondContact O-N 3.46Å |
| 164 | E | 71.6 | Confident | 56.3 | Low | 67 Ų | 67 | 70 Ų | 70 | 31% | 0.313 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 127.5 | -177.5 | -53.8 | -167.9 | 69.8 | 0 | 0 | 109.8 | V111 K140 W146 V166 | V111-E164 HydrophobicContact CG1-CB 4.25Å; V111-E164 HydrophobicContact CG1-CG 4.46Å; V111-E164 WeakPolarHBondContact CG1-OE1 3.42Å; K140-E164 WeakPolarHBondContact CE-OE1 3.19Å; K140-E164 IonicContact NZ-OE1 3.79Å; K140-E164 PolarHBondContact NZ-OE1 2.8Å; K140-E164 IonicContact NZ-OE2 2.71Å; K140-E164 PolarHBondContact NZ-OE2 2.88Å; W146-E164 HydrophobicContact CH2-CG 3.62Å; W146-E164 HydrophobicContact CZ3-CG 3.76Å; E164-V166 VanDerWaalsContact C-N 3.3Å; E164-V166 HydrophobicContact CB-CG2 4.26Å; E164-V166 PolarHBondContact O-N 3.03Å |
| 165 | D | 64.1 | Low | 54.4 | Low | 58 Ų | 58 | 76.5 Ų | 76.5 | 31% | 0.31 | 52% | 0.52 | S | S | . | . | trans | -78.1 | 86.4 | 175.8 | -156 | -137.5 | 0 | 0 | 0 | 106.4 | P112 R134 T163 D167 | P112-D165 HydrophobicContact CB-CB 4.35Å; P112-D165 HydrophobicContact CG-CB 4.26Å; P112-D165 VanDerWaalsContact O-CB 3.31Å; P112-D165 WeakPolarHBondContact O-CB 3.49Å; P112-D165 PolarHBondContact O-N 3.32Å; R134-D165 IonicContact CZ-OD1 2.92Å; R134-D165 IonicContact NH1-OD1 3.61Å; R134-D165 PolarHBondContact NH1-OD1 3.39Å; T163-D165 PolarHBondContact O-N 3.46Å; D165-D167 PolarHBondContact O-N 3.47Å | ||
| 166 | V | 50.5 | Low | 52.4 | Low | 136 Ų | 136 | 79.9 Ų | 79.9 | 82% | 0.824 | 56% | 0.555 | S | S | * | * | trans | -83.6 | 64.3 | 175.5 | -154.2 | 0 | 0 | 0 | 0 | 108.7 | E164 | E164-V166 VanDerWaalsContact C-N 3.3Å; E164-V166 HydrophobicContact CB-CG2 4.26Å; E164-V166 PolarHBondContact O-N 3.03Å | ||
| 167 | D | 40.9 | Very low | 50.2 | Low | 122 Ų | 122 | 80.3 Ų | 80.3 | 65% | 0.652 | 58% | 0.58 | S | S | * | * | trans | -143.5 | 97.8 | 168.8 | -150.3 | -90.3 | 0 | 0 | 0 | 110.7 | D165 | D165-D167 PolarHBondContact O-N 3.47Š| ||
| 168 | G | 37.9 | Very low | 48.2 | Very low | 78 Ų | 78 | 89.2 Ų | 89.2 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | trans | -116.4 | 82.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 169 | T | 33.4 | Very low | 46.3 | Very low | 128 Ų | 128 | 92 Ų | 92 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -134.3 | 130.3 | 156.6 | -0.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 170 | A | 39.1 | Very low | 44.2 | Very low | 109 Ų | 109 | 98.3 Ų | 98.3 | 90% | 0.901 | 69% | 0.691 | S | S | * | * | trans | -62.3 | 154.4 | -166 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 171 | G | 30.6 | Very low | 43 | Very low | 81 Ų | 81 | 97.6 Ų | 97.6 | 84% | 0.835 | 69% | 0.693 | S | S | * | * | trans | -178.6 | 86.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 172 | G | 31.9 | Very low | 41.1 | Very low | 82 Ų | 82 | 98.3 Ų | 98.3 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | trans | -77.8 | 145.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 173 | G | 29.7 | Very low | 39.1 | Very low | 87 Ų | 87 | 103.2 Ų | 103.2 | 90% | 0.897 | 76% | 0.757 | S | S | * | * | trans | 77.7 | 123.3 | 146 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 174 | G | 28.4 | Very low | 36.9 | Very low | 84 Ų | 84 | 104.4 Ų | 104.4 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | 153.3 | 103.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 175 | M | 37 | Very low | 35.3 | Very low | 199 Ų | 199 | 106.4 Ų | 106.4 | 98% | 0.98 | 80% | 0.801 | S | S | * | * | trans | -61.9 | 144.5 | 173.4 | -174.5 | 87.8 | 95 | 0 | 0 | 113.7 | ||||
| 176 | G | 28.5 | Very low | 34.2 | Very low | 73 Ų | 73 | 111.1 Ų | 111.1 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | trans | 131.2 | 113.4 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 177 | G | 27.4 | Very low | 34 | Very low | 73 Ų | 73 | 109.8 Ų | 109.8 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | 86.1 | 94.5 | 120.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 178 | L | 33.8 | Very low | 34 | Very low | 186 Ų | 186 | 112 Ų | 112 | 97% | 0.974 | 82% | 0.824 | S | S | * | * | 28.5 | 124.4 | 127.4 | -58.8 | 162.2 | 0 | 0 | 0 | 119.9 | |||||
| 179 | G | 26.4 | Very low | 34.3 | Very low | 80 Ų | 80 | 117.2 Ų | 117.2 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | 163 | 79.5 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 180 | D | 29.3 | Very low | 34.5 | Very low | 156 Ų | 156 | 116.6 Ų | 116.6 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -68.5 | 174.4 | 152.6 | -111.7 | -86 | 0 | 0 | 0 | 110 | ||||
| 181 | P | 44.7 | Very low | 34.7 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -135.8 | 169 | -4.8 | 31.9 | -11.4 | 0 | 0 | 0 | 114 | ||||
| 182 | A | 26.3 | Very low | 34.9 | Very low | 95 Ų | 95 | 117 Ų | 117 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 166.7 | 129 | 128.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 183 | A | 32.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 117.9 Ų | 117.9 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | trans | 73 | 95.9 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 184 | G | 31.7 | Very low | 35.8 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -173.9 | 88 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 185 | S | 36.8 | Very low | 36.1 | Very low | 110 Ų | 110 | 123 Ų | 123 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -58.3 | 139.5 | -164.5 | -169.3 | 0 | 0 | 0 | 0 | 116.9 | T187 | S185-T187 PolarHBondContact O-N 3.39Š| ||
| 186 | L | 41.9 | Very low | 36 | Very low | 156 Ų | 156 | 118.5 Ų | 118.5 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | -86 | 69.3 | -174.3 | -69.4 | 160.2 | 0 | 0 | 0 | 113.9 | ||||
| 187 | T | 45.7 | Very low | 36.3 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | -133.9 | 7.6 | 178.7 | 49.7 | 0 | 0 | 0 | 0 | 117.9 | S185 | S185-T187 PolarHBondContact O-N 3.39Š| ||
| 188 | E | 41.9 | Very low | 36.8 | Very low | 168 Ų | 168 | 121.9 Ų | 121.9 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -111 | -12.3 | 172.8 | -77.1 | -177.8 | 133 | 0 | 0 | 115 | V191 | E188-V191 WeakPolarHBondContact O-CG2 3.46Š|
| 189 | K | 42.5 | Very low | 37.2 | Very low | 187 Ų | 187 | 119.1 Ų | 119.1 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -99.5 | 6 | -178.5 | -72.7 | -173.6 | 175.1 | -174.6 | 0 | 115.7 | ||
| 190 | L | 39 | Very low | 37.8 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 61% | 0.607 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -107.7 | -1.9 | 175 | -77.9 | 158.2 | 0 | 0 | 0 | 113.4 | V194 | L190-V194 WeakPolarHBondContact O-CG2 3.17Š|
| 191 | V | 43.3 | Very low | 38.5 | Very low | 72 Ų | 72 | 116.6 Ų | 116.6 | 44% | 0.436 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.9 | -10.1 | 176.1 | -74.2 | 0 | 0 | 0 | 0 | 114.1 | E188 R195 | E188-V191 WeakPolarHBondContact O-CG2 3.46Å; V191-R195 WeakPolarHBondContact O-CG 3.46Å; V191-R195 PolarHBondContact O-NH1 2.98Å |
| 192 | D | 35.2 | Very low | 38.9 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 67% | 0.668 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -29.7 | 170.1 | -90.6 | -64.7 | 0 | 0 | 0 | 113 | ||
| 193 | V | 42.1 | Very low | 40.5 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 61% | 0.612 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -25.2 | 176 | 170.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 194 | V | 36.9 | Very low | 42.1 | Very low | 103 Ų | 103 | 116 Ų | 116 | 62% | 0.624 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -9.4 | 178.2 | 178.1 | 0 | 0 | 0 | 0 | 112.9 | L190 | L190-V194 WeakPolarHBondContact O-CG2 3.17Š|
| 195 | R | 36.4 | Very low | 43.8 | Very low | 175 Ų | 175 | 115.2 Ų | 115.2 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -13.1 | 175 | -76 | -171.6 | 177.1 | 103.9 | -4.8 | 114.7 | V191 | V191-R195 WeakPolarHBondContact O-CG 3.46Å; V191-R195 PolarHBondContact O-NH1 2.98Å |
| 196 | S | 34 | Very low | 45.6 | Very low | 105 Ų | 105 | 111.8 Ų | 111.8 | 73% | 0.734 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -1.5 | -179.3 | -132.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 197 | S | 34.5 | Very low | 47.1 | Very low | 100 Ų | 100 | 104.4 Ų | 104.4 | 70% | 0.699 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 8.8 | -177.9 | -52.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 198 | T | 37.2 | Very low | 48.1 | Very low | 117 Ų | 117 | 102.4 Ų | 102.4 | 72% | 0.718 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -131.4 | 15.6 | 179.7 | 52 | 0 | 0 | 0 | 0 | 115.4 | ||
| 199 | N | 42.4 | Very low | 49.4 | Very low | 128 Ų | 128 | 94.5 Ų | 94.5 | 68% | 0.684 | 51% | 0.513 | S | S | * | . | trans | -114.9 | 33.3 | 175.9 | -101.5 | 6.7 | 0 | 0 | 0 | 114.1 | N201 | N199-N201 PolarHBondContact O-N 3.06Š| ||
| 200 | G | 40.1 | Very low | 49.6 | Very low | 66 Ų | 66 | 89.2 Ų | 89.2 | 68% | 0.68 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 34.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 201 | N | 44.1 | Very low | 50.1 | Low | 117 Ų | 117 | 89.2 Ų | 89.2 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.7 | 15.7 | -179.5 | -135 | 40.5 | 0 | 0 | 0 | 116 | N199 V203 R245 | N199-N201 PolarHBondContact O-N 3.06Å; N201-V203 PolarHBondContact O-N 3Å; N201-V203 VanDerWaalsContact O-N 3.17Å; N201-R245 PolarHBondContact OD1-NH1 3.44Å; N201-R245 PolarHBondContact OD1-NH2 3.41Å |
| 202 | R | 52.3 | Low | 50.4 | Low | 186 Ų | 186 | 89.4 Ų | 89.4 | 70% | 0.702 | 49% | 0.489 | S | S | * | . | trans | -82.1 | 96.3 | 167.7 | -98.3 | 179 | 80.6 | 169.6 | 2.4 | 109.6 | L204 | R202-L204 PolarHBondContact O-N 3.26Å; R202-L204 VanDerWaalsContact O-N 3.16Å | ||
| 203 | V | 59.7 | Low | 51.5 | Low | 46 Ų | 46 | 85.1 Ų | 85.1 | 28% | 0.279 | 46% | 0.464 | S | S | . | . | trans | -60.1 | 111.9 | 158.7 | -179.3 | 0 | 0 | 0 | 0 | 106.7 | N201 E230 I232 | N201-V203 PolarHBondContact O-N 3Å; N201-V203 VanDerWaalsContact O-N 3.17Å; V203-E230 HydrophobicContact CB-CB 4.45Å; V203-E230 HydrophobicContact CG1-CB 3.75Å; V203-E230 HydrophobicContact CG1-CG 3.91Å; V203-E230 HydrophobicContact CG2-CB 3.99Å; V203-E230 VanDerWaalsContact CG2-CD 3.42Å; V203-E230 HydrophobicContact CG2-CG 4.07Å; V203-E230 VanDerWaalsContact CG2-OE1 3.29Å; V203-E230 WeakPolarHBondContact CG2-OE1 3.39Å; V203-I232 HydrophobicContact CG2-CD1 4.33Å | ||
| 204 | L | 67 | Low | 51.8 | Low | 71 Ų | 71 | 85.5 Ų | 85.5 | 37% | 0.372 | 47% | 0.471 | S | S | . | . | trans | -70.4 | -47.1 | 176 | -68.3 | 171.1 | 0 | 0 | 0 | 109.6 | R202 V231 I232 K234 | R202-L204 PolarHBondContact O-N 3.26Å; R202-L204 VanDerWaalsContact O-N 3.16Å; L204-V231 HydrophobicContact CB-CG1 4.41Å; L204-V231 WeakPolarHBondContact CB-O 3.43Å; L204-V231 HydrophobicContact CD1-CG1 4.45Å; L204-V231 PolarHBondContact N-O 3.31Å; L204-I232 WeakPolarHBondContact CD1-O 3.23Å; L204-K234 HydrophobicContact CD1-CG 4.39Å | ||
| 205 | H | 67.7 | Low | 52.6 | Low | 61 Ų | 61 | 82.6 Ų | 82.6 | 28% | 0.282 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 150.9 | 179.1 | -58.9 | -74.4 | 0 | 0 | 0 | 110.1 | V231 K234 V261 | H205-V231 HydrophobicContact CB-CB 4.36Å; H205-V231 HydrophobicContact CB-CG2 4.38Å; H205-V231 WeakPolarHBondContact O-CB 3.2Å; H205-V231 PolarHBondContact O-N 2.82Å; H205-K234 PolarHBondContact CD2-NZ 2.86Å; H205-K234 PolarHBondContact NE2-NZ 3Å; H205-V261 HydrophobicContact CB-CG1 3.88Å |
| 206 | T | 74.6 | Confident | 52.7 | Low | 39 Ų | 39 | 77.9 Ų | 77.9 | 24% | 0.239 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 137.6 | 163.9 | -55.2 | 0 | 0 | 0 | 0 | 107.9 | V228 M229 V261 L262 | T206-V228 HydrophobicContact CG2-CG1 3.26Å; T206-M229 CarbonylContact C-O 3.59Å; T206-V261 CarbonylContact O-C 3.58Å; T206-L262 HydrophobicContact CG2-CB 4.33Å; T206-L262 HydrophobicContact CG2-CD1 4.22Å; T206-L262 PolarHBondContact O-N 2.77Å |
| 207 | V | 71.7 | Confident | 53.5 | Low | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 152.7 | 178.2 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | V228 M229 V231 W242 V259 T260 V261 | V207-V228 CarbonylContact O-C 3.58Å; V207-V228 WeakPolarHBondContact O-CA 3.45Å; V207-M229 HydrophobicContact CG2-CB 3.99Å; V207-M229 WeakPolarHBondContact CG2-O 3.3Å; V207-M229 PolarHBondContact N-O 3.45Å; V207-M229 PolarHBondContact O-N 2.8Å; V207-V231 HydrophobicContact CB-CG2 4.19Å; V207-V231 HydrophobicContact CG1-CG2 3.35Å; V207-V231 HydrophobicContact CG2-CG2 3.78Å; V207-W242 HydrophobicContact CG1-CE3 4.08Å; V207-W242 HydrophobicContact CG1-CZ3 3.78Å; V207-V259 HydrophobicContact CB-CB 4.05Å; V207-V259 HydrophobicContact CB-CG2 4.35Å; V207-V259 HydrophobicContact CG2-CB 4.12Å; V207-V259 HydrophobicContact CG2-CG1 4.3Å; V207-V259 HydrophobicContact CG2-CG2 4.34Å; V207-T260 CarbonylContact C-O 3.47Å; V207-T260 WeakPolarHBondContact CA-O 3.36Å; V207-T260 VanDerWaalsContact CB-O 3.31Å; V207-T260 WeakPolarHBondContact CB-O 3.41Å; V207-V261 HydrophobicContact CG1-CB 4.42Å; V207-V261 HydrophobicContact CG1-CG2 3.85Å |
| 208 | Q | 67.2 | Low | 54.3 | Low | 67 Ų | 67 | 80.5 Ų | 80.5 | 31% | 0.313 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 132.1 | 174.8 | -172.9 | 176.3 | 18.4 | 0 | 0 | 110.4 | G226 E227 V228 V259 T260 L262 | Q208-G226 PolarHBondContact NE2-O 3.09Å; Q208-G226 VanDerWaalsContact NE2-O 3.1Å; Q208-E227 CarbonylContact C-O 3.45Å; Q208-E227 WeakPolarHBondContact CA-O 3.39Å; Q208-V228 HydrophobicContact CB-CG2 4.43Å; Q208-V228 HydrophobicContact CG-CG2 4.23Å; Q208-V259 CarbonylContact O-C 3.57Å; Q208-V259 VanDerWaalsContact O-CA 3.27Å; Q208-V259 WeakPolarHBondContact O-CA 3.39Å; Q208-T260 HydrophobicContact CB-CG2 3.99Å; Q208-T260 PolarHBondContact N-O 3.05Å; Q208-T260 PolarHBondContact O-N 2.83Å; Q208-L262 HydrophobicContact CB-CD1 3.87Å; Q208-L262 HydrophobicContact CB-CG 4.16Å |
| 209 | A | 69.8 | Low | 55.2 | Low | 2 Ų | 2 | 82.4 Ų | 82.4 | 2% | 0.017 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 128.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F223 E224 G226 E227 Y258 V259 | A209-F223 HydrophobicContact CB-CD2 3.39Å; A209-F223 HydrophobicContact CB-CE2 3.78Å; A209-F223 HydrophobicContact CB-CG 4.33Å; A209-E224 VanDerWaalsContact CB-O 3.25Å; A209-E224 WeakPolarHBondContact CB-O 3.23Å; A209-G226 WeakPolarHBondContact O-CA 3.34Å; A209-G226 PolarHBondContact O-N 2.76Å; A209-E227 HydrophobicContact CB-CB 4.45Å; A209-E227 PolarHBondContact N-O 3.06Å; A209-Y258 CarbonylContact C-O 3.52Å; A209-Y258 WeakPolarHBondContact CA-O 3.2Å; A209-V259 HydrophobicContact CB-CG1 4.47Å |
| 210 | L | 46.8 | Very low | 56.4 | Low | 76 Ų | 76 | 78.6 Ų | 78.6 | 40% | 0.398 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -88.5 | -27.7 | 177.2 | -62.5 | 177 | 0 | 0 | 0 | 112 | R225 Y258 T260 | L210-R225 WeakPolarHBondContact O-CG 3.3Å; L210-R225 PolarHBondContact O-NE 3.06Å; L210-Y258 PolarHBondContact N-O 2.95Å; L210-T260 HydrophobicContact CD2-CG2 3.85Å; L210-T260 HydrophobicContact CG-CG2 4.41Å |
| 211 | Y | 49.2 | Very low | 57.8 | Low | 117 Ų | 117 | 75.4 Ų | 75.4 | 46% | 0.459 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -135.9 | 149.5 | -177.5 | -55.5 | -76.2 | 0 | 0 | 0 | 109.8 | F223 Y258 | Y211-F223 WeakPolarHBondContact O-CE2 3.19Å; Y211-Y258 HydrophobicContact CD2-CD1 4.42Å |
| 212 | P | 49.2 | Very low | 59 | Low | 76 Ų | 76 | 72.9 Ų | 72.9 | 49% | 0.494 | 39% | 0.39 | S | S | . | . | trans | -69.8 | 139.6 | 171.1 | 32.2 | -30.7 | 0 | 0 | 0 | 109.2 | F223 | P212-F223 CarbonylContact C-O 3.57Å; P212-F223 WeakPolarHBondContact CA-O 3.44Å | ||
| 213 | F | 57.9 | Low | 60 | Low | 34 Ų | 34 | 64.2 Ų | 64.2 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -133.9 | 125.8 | 179.1 | -176.8 | -103.8 | 0 | 0 | 0 | 108.9 | T215 E220 L221 N222 F223 W241 P255 Y258 | F213-T215 HydrophobicContact CE1-CG2 3.94Å; F213-E220 HydrophobicContact CE1-CB 4.45Å; F213-L221 VanDerWaalsContact CD1-O 3.3Å; F213-L221 WeakPolarHBondContact CD1-O 3.46Å; F213-N222 CarbonylContact O-C 3.54Å; F213-N222 WeakPolarHBondContact O-CA 3.27Å; F213-F223 HydrophobicContact CB-CD1 4.18Å; F213-F223 HydrophobicContact CB-CD2 3.93Å; F213-F223 HydrophobicContact CB-CE1 3.68Å; F213-F223 HydrophobicContact CB-CE2 3.45Å; F213-F223 VanDerWaalsContact CB-CE2 3.45Å; F213-F223 HydrophobicContact CB-CG 4.28Å; F213-F223 HydrophobicContact CB-CZ 3.3Å; F213-F223 HydrophobicContact CD1-CD1 4.24Å; F213-F223 AromaticContact CD1-CE1 3.59Å; F213-F223 HydrophobicContact CD1-CE1 3.59Å; F213-F223 AromaticContact CD1-CZ 3.97Å; F213-F223 HydrophobicContact CD1-CZ 3.97Å; F213-F223 AromaticContact CG-CE1 3.92Å; F213-F223 HydrophobicContact CG-CE1 3.92Å; F213-F223 HydrophobicContact CG-CE2 4.43Å; F213-F223 AromaticContact CG-CZ 3.8Å; F213-F223 HydrophobicContact CG-CZ 3.8Å; F213-F223 PolarHBondContact N-O 3.17Å; F213-F223 PolarHBondContact O-N 3.03Å; F213-F223 VanDerWaalsContact O-O 3.07Å; F213-W241 HydrophobicContact CZ-CH2 4.39Å; F213-P255 HydrophobicContact CE2-CG 4.29Å; F213-P255 HydrophobicContact CZ-CG 4.33Å; F213-Y258 HydrophobicContact CB-CD1 4.2Å; F213-Y258 HydrophobicContact CD2-CD1 4.24Å; F213-Y258 HydrophobicContact CD2-CE1 4.12Å |
| 214 | S | 48.3 | Very low | 60 | Low | 109 Ų | 109 | 69.1 Ų | 69.1 | 76% | 0.762 | 38% | 0.377 | S | S | * | . | trans | -136 | 125.6 | -177.9 | -51.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 215 | T | 53.9 | Low | 59.4 | Low | 43 Ų | 43 | 73.9 Ų | 73.9 | 26% | 0.264 | 39% | 0.39 | S | S | . | . | trans | -135.8 | 153.3 | -174.6 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | F213 N217 E220 | F213-T215 HydrophobicContact CE1-CG2 3.94Å; T215-N217 PolarHBondContact OG1-N 3.36Å; T215-E220 WeakPolarHBondContact CB-OE2 2.97Å; T215-E220 HydrophobicContact CG2-CB 3.39Å; T215-E220 HydrophobicContact CG2-CG 4.47Å; T215-E220 WeakPolarHBondContact CG2-OE2 3.41Å; T215-E220 PolarHBondContact OG1-OE2 3.05Å | ||
| 216 | G | 39.2 | Very low | 58.7 | Low | 75 Ų | 75 | 72.4 Ų | 72.4 | 77% | 0.773 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -93.8 | 1.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 217 | N | 50.2 | Low | 58.5 | Low | 92 Ų | 92 | 73 Ų | 73 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | trans | -91.3 | 128.2 | -178.3 | -71.6 | -13.9 | 0 | 0 | 0 | 111.3 | T215 E219 E220 | T215-N217 PolarHBondContact OG1-N 3.36Å; N217-E219 PolarHBondContact O-N 3.23Å; N217-E220 HydrophobicContact CB-CB 4.36Å; N217-E220 HydrophobicContact CB-CG 4.24Å; N217-E220 PolarHBondContact ND2-OE1 3.14Å; N217-E220 PolarHBondContact O-N 3.06Å | ||
| 218 | D | 51.2 | Low | 58.7 | Low | 168 Ų | 168 | 76.2 Ų | 76.2 | 90% | 0.898 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.6 | 176.4 | -77 | -89.4 | 0 | 0 | 0 | 114.3 | ||
| 219 | E | 56.2 | Low | 59.4 | Low | 157 Ų | 157 | 73.1 Ų | 73.1 | 73% | 0.734 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.9 | 177 | -61.3 | -168.7 | 107.8 | 0 | 0 | 113.1 | N217 L253 | N217-E219 PolarHBondContact O-N 3.23Å; E219-L253 PolarHBondContact O-N 3.15Å |
| 220 | E | 67.2 | Low | 59.8 | Low | 48 Ų | 48 | 76 Ų | 76 | 22% | 0.224 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -111.4 | 145.8 | -176.7 | -66.5 | 170.5 | -151.4 | 0 | 0 | 111.4 | F213 T215 N217 W241 | F213-E220 HydrophobicContact CE1-CB 4.45Å; T215-E220 WeakPolarHBondContact CB-OE2 2.97Å; T215-E220 HydrophobicContact CG2-CB 3.39Å; T215-E220 HydrophobicContact CG2-CG 4.47Å; T215-E220 WeakPolarHBondContact CG2-OE2 3.41Å; T215-E220 PolarHBondContact OG1-OE2 3.05Å; N217-E220 HydrophobicContact CB-CB 4.36Å; N217-E220 HydrophobicContact CB-CG 4.24Å; N217-E220 PolarHBondContact ND2-OE1 3.14Å; N217-E220 PolarHBondContact O-N 3.06Å; E220-W241 HydrophobicContact CG-CZ3 4.17Å |
| 221 | L | 71.2 | Confident | 61.3 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | trans | -92.8 | 120.4 | -176.2 | -160.3 | 56.1 | 0 | 0 | 0 | 110.1 | F213 F223 M229 C244 K246 Q250 L253 V254 | F213-L221 VanDerWaalsContact CD1-O 3.3Å; F213-L221 WeakPolarHBondContact CD1-O 3.46Å; L221-F223 HydrophobicContact CB-CD1 4.47Å; L221-F223 WeakPolarHBondContact O-CD1 3.47Å; L221-F223 WeakPolarHBondContact O-CE1 3.29Å; L221-M229 HydrophobicContact CD2-CE 3.18Å; L221-M229 HydrophobicContact CD2-SD 4.38Å; L221-M229 HydrophobicContact CG-CE 3.64Å; L221-C244 HydrophobicContact CD2-CB 3.93Å; L221-C244 WeakPolarHBondContact CD2-O 2.95Å; L221-K246 HydrophobicContact CD1-CD 4.19Å; L221-K246 HydrophobicContact CD1-CG 4.12Å; L221-K246 HydrophobicContact CD2-CG 4.05Å; L221-K246 HydrophobicContact CG-CD 4.36Å; L221-K246 HydrophobicContact CG-CG 4.14Å; L221-Q250 HydrophobicContact CD1-CB 3.9Å; L221-Q250 HydrophobicContact CD1-CG 3.66Å; L221-L253 PolarHBondContact N-O 2.76Å; L221-L253 VanDerWaalsContact N-O 3.09Å; L221-V254 HydrophobicContact CB-CG2 3.7Å; L221-V254 HydrophobicContact CD2-CG2 3.78Å; L221-V254 HydrophobicContact CG-CG2 4.31Å | ||
| 222 | N | 68.6 | Low | 62.7 | Low | 64 Ų | 64 | 68.6 Ų | 68.6 | 34% | 0.342 | 38% | 0.378 | S | S | . | . | trans | -73.1 | 136.1 | 169.1 | 59.5 | 90.3 | 0 | 0 | 0 | 108.9 | F213 K246 Q250 | F213-N222 CarbonylContact O-C 3.54Å; F213-N222 WeakPolarHBondContact O-CA 3.27Å; N222-K246 WeakPolarHBondContact O-CE 3.32Å; N222-K246 PolarHBondContact O-NZ 2.83Å; N222-Q250 PolarHBondContact ND2-OE1 3.39Å | ||
| 223 | F | 73.3 | Confident | 63.6 | Low | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.018 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -153.8 | 154 | 177.6 | 53.2 | -95.4 | 0 | 0 | 0 | 113.5 | A209 Y211 P212 F213 L221 E227 M229 V254 | A209-F223 HydrophobicContact CB-CD2 3.39Å; A209-F223 HydrophobicContact CB-CE2 3.78Å; A209-F223 HydrophobicContact CB-CG 4.33Å; Y211-F223 WeakPolarHBondContact O-CE2 3.19Å; P212-F223 CarbonylContact C-O 3.57Å; P212-F223 WeakPolarHBondContact CA-O 3.44Å; F213-F223 HydrophobicContact CB-CD1 4.18Å; F213-F223 HydrophobicContact CB-CD2 3.93Å; F213-F223 HydrophobicContact CB-CE1 3.68Å; F213-F223 HydrophobicContact CB-CE2 3.45Å; F213-F223 VanDerWaalsContact CB-CE2 3.45Å; F213-F223 HydrophobicContact CB-CG 4.28Å; F213-F223 HydrophobicContact CB-CZ 3.3Å; F213-F223 HydrophobicContact CD1-CD1 4.24Å; F213-F223 AromaticContact CD1-CE1 3.59Å; F213-F223 HydrophobicContact CD1-CE1 3.59Å; F213-F223 AromaticContact CD1-CZ 3.97Å; F213-F223 HydrophobicContact CD1-CZ 3.97Å; F213-F223 AromaticContact CG-CE1 3.92Å; F213-F223 HydrophobicContact CG-CE1 3.92Å; F213-F223 HydrophobicContact CG-CE2 4.43Å; F213-F223 AromaticContact CG-CZ 3.8Å; F213-F223 HydrophobicContact CG-CZ 3.8Å; F213-F223 PolarHBondContact N-O 3.17Å; F213-F223 PolarHBondContact O-N 3.03Å; F213-F223 VanDerWaalsContact O-O 3.07Å; L221-F223 HydrophobicContact CB-CD1 4.47Å; L221-F223 WeakPolarHBondContact O-CD1 3.47Å; L221-F223 WeakPolarHBondContact O-CE1 3.29Å; F223-E227 WeakPolarHBondContact CA-OE2 3.4Å; F223-E227 WeakPolarHBondContact CB-OE2 3.33Å; F223-M229 HydrophobicContact CB-CE 3.56Å; F223-M229 HydrophobicContact CB-SD 3.93Å; F223-M229 HydrophobicContact CD1-CE 3.86Å; F223-M229 HydrophobicContact CD1-SD 3.89Å; F223-M229 HydrophobicContact CD2-SD 4.49Å; F223-M229 HydrophobicContact CG-CE 3.95Å; F223-M229 HydrophobicContact CG-SD 3.85Å; F223-V254 HydrophobicContact CD1-CG1 4.34Å; F223-V254 HydrophobicContact CD1-CG2 4Å; F223-V254 HydrophobicContact CE1-CB 4.07Å; F223-V254 HydrophobicContact CE1-CG1 3.47Å; F223-V254 VanDerWaalsContact CE1-CG1 3.47Å; F223-V254 HydrophobicContact CE1-CG2 3.7Å; F223-V254 HydrophobicContact CZ-CG1 3.61Å |
| 224 | E | 60.3 | Low | 64.1 | Low | 148 Ų | 148 | 72 Ų | 72 | 69% | 0.692 | 39% | 0.387 | S | S | * | . | trans | -97.4 | 157.8 | 179.2 | -64.3 | -166 | 109.3 | 0 | 0 | 111.9 | A209 G226 E227 | A209-E224 VanDerWaalsContact CB-O 3.25Å; A209-E224 WeakPolarHBondContact CB-O 3.23Å; E224-G226 PolarHBondContact O-N 2.86Å; E224-E227 PolarHBondContact N-OE2 3.09Å; E224-E227 WeakPolarHBondContact O-CB 3.5Å; E224-E227 PolarHBondContact O-N 3.26Å; E224-E227 VanDerWaalsContact O-N 3.11Å | ||
| 225 | R | 53.4 | Low | 64.5 | Low | 171 Ų | 171 | 68.2 Ų | 68.2 | 65% | 0.645 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 131.3 | 174.5 | 171.4 | -176.4 | -71.4 | -178 | 5.1 | 109.7 | L210 E227 | L210-R225 WeakPolarHBondContact O-CG 3.3Å; L210-R225 PolarHBondContact O-NE 3.06Å; R225-E227 VanDerWaalsContact C-N 3.29Å |
| 226 | G | 52.8 | Low | 63.9 | Low | 31 Ų | 31 | 75.6 Ų | 75.6 | 32% | 0.32 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -3.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q208 A209 E224 | Q208-G226 PolarHBondContact NE2-O 3.09Å; Q208-G226 VanDerWaalsContact NE2-O 3.1Å; A209-G226 WeakPolarHBondContact O-CA 3.34Å; A209-G226 PolarHBondContact O-N 2.76Å; E224-G226 PolarHBondContact O-N 2.86Å |
| 227 | E | 71.8 | Confident | 63.9 | Low | 52 Ų | 52 | 79 Ų | 79 | 24% | 0.243 | 39% | 0.392 | C | S | . | . | trans | -70.3 | 135.8 | 179.8 | -166.6 | 170 | -175.2 | 0 | 0 | 111.5 | Q208 A209 F223 E224 R225 K246 | Q208-E227 CarbonylContact C-O 3.45Å; Q208-E227 WeakPolarHBondContact CA-O 3.39Å; A209-E227 HydrophobicContact CB-CB 4.45Å; A209-E227 PolarHBondContact N-O 3.06Å; F223-E227 WeakPolarHBondContact CA-OE2 3.4Å; F223-E227 WeakPolarHBondContact CB-OE2 3.33Å; E224-E227 PolarHBondContact N-OE2 3.09Å; E224-E227 WeakPolarHBondContact O-CB 3.5Å; E224-E227 PolarHBondContact O-N 3.26Å; E224-E227 VanDerWaalsContact O-N 3.11Å; R225-E227 VanDerWaalsContact C-N 3.29Å; E227-K246 WeakPolarHBondContact OE1-CD 3.13Å; E227-K246 WeakPolarHBondContact OE1-CE 3.45Å; E227-K246 IonicContact OE1-NZ 3.26Å; E227-K246 PolarHBondContact OE1-NZ 2.92Å; E227-K246 WeakPolarHBondContact OE2-CE 3.38Å; E227-K246 IonicContact OE2-NZ 2.88Å; E227-K246 PolarHBondContact OE2-NZ 3.38Å | ||
| 228 | V | 75.8 | Confident | 63.8 | Low | 67 Ų | 67 | 77.8 Ų | 77.8 | 41% | 0.406 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.1 | -177.6 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | T206 V207 Q208 L262 | T206-V228 HydrophobicContact CG2-CG1 3.26Å; V207-V228 CarbonylContact O-C 3.58Å; V207-V228 WeakPolarHBondContact O-CA 3.45Å; Q208-V228 HydrophobicContact CB-CG2 4.43Å; Q208-V228 HydrophobicContact CG-CG2 4.23Å; V228-L262 HydrophobicContact CG1-CD1 4.19Å; V228-L262 HydrophobicContact CG2-CD1 4.13Å |
| 229 | M | 80.4 | Confident | 64.1 | Low | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 152.4 | -172.4 | -31.9 | -178.5 | 88.7 | 0 | 0 | 109.9 | T206 V207 L221 F223 C244 R245 K246 V254 | T206-M229 CarbonylContact C-O 3.59Å; V207-M229 HydrophobicContact CG2-CB 3.99Å; V207-M229 WeakPolarHBondContact CG2-O 3.3Å; V207-M229 PolarHBondContact N-O 3.45Å; V207-M229 PolarHBondContact O-N 2.8Å; L221-M229 HydrophobicContact CD2-CE 3.18Å; L221-M229 HydrophobicContact CD2-SD 4.38Å; L221-M229 HydrophobicContact CG-CE 3.64Å; F223-M229 HydrophobicContact CB-CE 3.56Å; F223-M229 HydrophobicContact CB-SD 3.93Å; F223-M229 HydrophobicContact CD1-CE 3.86Å; F223-M229 HydrophobicContact CD1-SD 3.89Å; F223-M229 HydrophobicContact CD2-SD 4.49Å; F223-M229 HydrophobicContact CG-CE 3.95Å; F223-M229 HydrophobicContact CG-SD 3.85Å; M229-C244 HydrophobicContact CB-CB 4.11Å; M229-R245 CarbonylContact C-O 3.58Å; M229-R245 WeakPolarHBondContact CA-O 3.45Å; M229-K246 HydrophobicContact CE-CD 4.03Å; M229-K246 VanDerWaalsContact CE-CE 3.5Å; M229-K246 HydrophobicContact CE-CG 3.3Å; M229-V254 HydrophobicContact CE-CG2 4.41Å; M229-V254 HydrophobicContact SD-CG2 4.16Å |
| 230 | E | 79.3 | Confident | 64.1 | Low | 64 Ų | 64 | 70 Ų | 70 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.9 | -179.2 | -66.5 | -176.8 | 132 | 0 | 0 | 109.9 | V203 I232 C244 R245 | V203-E230 HydrophobicContact CB-CB 4.45Å; V203-E230 HydrophobicContact CG1-CB 3.75Å; V203-E230 HydrophobicContact CG1-CG 3.91Å; V203-E230 HydrophobicContact CG2-CB 3.99Å; V203-E230 VanDerWaalsContact CG2-CD 3.42Å; V203-E230 HydrophobicContact CG2-CG 4.07Å; V203-E230 VanDerWaalsContact CG2-OE1 3.29Å; V203-E230 WeakPolarHBondContact CG2-OE1 3.39Å; E230-I232 HydrophobicContact CB-CD1 4.11Å; E230-I232 PolarHBondContact O-N 3.09Å; E230-C244 CarbonylContact O-C 3.47Å; E230-C244 VanDerWaalsContact O-CA 3.26Å; E230-C244 WeakPolarHBondContact O-CA 3.48Å; E230-R245 HydrophobicContact CB-CB 4.35Å; E230-R245 PolarHBondContact N-O 3.43Å; E230-R245 PolarHBondContact O-N 3.05Å; E230-R245 IonicContact OE2-CZ 3.4Å; E230-R245 IonicContact OE2-NE 3.22Å; E230-R245 PolarHBondContact OE2-NE 2.84Å; E230-R245 IonicContact OE2-NH2 2.73Å; E230-R245 PolarHBondContact OE2-NH2 3.09Å |
| 231 | V | 78.7 | Confident | 63.9 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 115.8 | 173 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | L204 H205 V207 K234 W242 | L204-V231 HydrophobicContact CB-CG1 4.41Å; L204-V231 WeakPolarHBondContact CB-O 3.43Å; L204-V231 HydrophobicContact CD1-CG1 4.45Å; L204-V231 PolarHBondContact N-O 3.31Å; H205-V231 HydrophobicContact CB-CB 4.36Å; H205-V231 HydrophobicContact CB-CG2 4.38Å; H205-V231 WeakPolarHBondContact O-CB 3.2Å; H205-V231 PolarHBondContact O-N 2.82Å; V207-V231 HydrophobicContact CB-CG2 4.19Å; V207-V231 HydrophobicContact CG1-CG2 3.35Å; V207-V231 HydrophobicContact CG2-CG2 3.78Å; V231-K234 HydrophobicContact CG1-CG 4.16Å; V231-W242 HydrophobicContact CG1-CB 4.2Å; V231-W242 HydrophobicContact CG1-CG 4.49Å; V231-W242 HydrophobicContact CG2-CE3 3.74Å; V231-W242 HydrophobicContact CG2-CZ3 4.35Å |
| 232 | I | 77.5 | Confident | 64.1 | Low | 36 Ų | 36 | 72.6 Ų | 72.6 | 19% | 0.185 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -36.3 | 179.3 | -52.6 | -55 | 0 | 0 | 0 | 110.4 | V203 L204 E230 K243 R245 L251 | V203-I232 HydrophobicContact CG2-CD1 4.33Å; L204-I232 WeakPolarHBondContact CD1-O 3.23Å; E230-I232 HydrophobicContact CB-CD1 4.11Å; E230-I232 PolarHBondContact O-N 3.09Å; I232-K243 PolarHBondContact N-O 3.48Å; I232-R245 HydrophobicContact CD1-CB 3.92Å; I232-R245 HydrophobicContact CG1-CB 3.73Å; I232-L251 HydrophobicContact CG1-CD2 3.94Å |
| 233 | E | 68.6 | Low | 64.2 | Low | 96 Ų | 96 | 73.3 Ų | 73.3 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 138.8 | -173.4 | -158.6 | -176.8 | 145.2 | 0 | 0 | 111.4 | K243 | E233-K243 HydrophobicContact CB-CB 3.85Å; E233-K243 HydrophobicContact CB-CD 4.09Å; E233-K243 PolarHBondContact N-O 3.4Å; E233-K243 WeakPolarHBondContact O-CB 3.43Å; E233-K243 PolarHBondContact O-N 3.36Å; E233-K243 IonicContact OE2-NZ 2.79Å |
| 234 | K | 68.6 | Low | 64.6 | Low | 86 Ų | 86 | 73.1 Ų | 73.1 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | trans | -110.2 | 98.4 | 170.1 | -65.8 | 177.4 | -170.8 | 160.7 | 0 | 107.2 | L204 H205 V231 E236 W242 | L204-K234 HydrophobicContact CD1-CG 4.39Å; H205-K234 PolarHBondContact CD2-NZ 2.86Å; H205-K234 PolarHBondContact NE2-NZ 3Å; V231-K234 HydrophobicContact CG1-CG 4.16Å; K234-E236 PolarHBondContact O-N 2.81Å; K234-E236 VanDerWaalsContact O-N 3.17Å; K234-W242 HydrophobicContact CG-CG 4.36Å | ||
| 235 | P | 57.2 | Low | 65.5 | Low | 30 Ų | 30 | 68.5 Ų | 68.5 | 20% | 0.195 | 33% | 0.334 | C | S | . | . | trans | -60.3 | 120.1 | 180 | 21.7 | -30.4 | 0 | 0 | 0 | 110.1 | N237 D238 W241 | P235-N237 PolarHBondContact O-N 2.81Å; P235-N237 VanDerWaalsContact O-N 3.15Å; P235-D238 CarbonylContact O-C 3.52Å; P235-D238 VanDerWaalsContact O-C 3.3Å; P235-D238 PolarHBondContact O-N 2.76Å; P235-W241 WeakPolarHBondContact CD-O 3.32Å; P235-W241 VanDerWaalsContact CG-O 3.23Å; P235-W241 WeakPolarHBondContact CG-O 3.37Å | ||
| 236 | E | 40.3 | Very low | 66.5 | Low | 197 Ų | 197 | 61.3 Ų | 61.3 | 92% | 0.921 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -20.7 | 176.9 | -72.6 | -177.6 | 98.9 | 0 | 0 | 112.5 | K234 | K234-E236 PolarHBondContact O-N 2.81Å; K234-E236 VanDerWaalsContact O-N 3.17Å |
| 237 | N | 39.6 | Very low | 67.3 | Low | 148 Ų | 148 | 64.7 Ų | 64.7 | 79% | 0.791 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -21.4 | 176.3 | -68.3 | -31.3 | 0 | 0 | 0 | 113.6 | P235 | P235-N237 PolarHBondContact O-N 2.81Å; P235-N237 VanDerWaalsContact O-N 3.15Å |
| 238 | D | 48.8 | Very low | 67 | Low | 66 Ų | 66 | 68 Ų | 68 | 35% | 0.353 | 35% | 0.351 | S | S | . | . | trans | -146.9 | 84.7 | 179.3 | -155.8 | -47.5 | 0 | 0 | 0 | 111.3 | P235 E240 W241 | P235-D238 CarbonylContact O-C 3.52Å; P235-D238 VanDerWaalsContact O-C 3.3Å; P235-D238 PolarHBondContact O-N 2.76Å; D238-E240 PolarHBondContact O-N 2.86Å; D238-E240 VanDerWaalsContact O-N 3.09Å; D238-E240 PolarHBondContact OD1-N 3.25Å; D238-W241 PolarHBondContact O-N 2.83Å; D238-W241 VanDerWaalsContact OD1-CD1 3.31Å | ||
| 239 | P | 56.3 | Low | 66.6 | Low | 84 Ų | 84 | 67 Ų | 67 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -9.2 | -172.1 | 27.3 | -35 | 0 | 0 | 0 | 114.5 | W242 | P239-W242 PolarHBondContact O-NE1 3.48Š|
| 240 | E | 56.2 | Low | 65.9 | Low | 76 Ų | 76 | 71 Ų | 71 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -5.3 | -178.8 | -66.9 | -63 | 114.1 | 0 | 0 | 113.1 | D238 K256 N257 | D238-E240 PolarHBondContact O-N 2.86Å; D238-E240 VanDerWaalsContact O-N 3.09Å; D238-E240 PolarHBondContact OD1-N 3.25Å; E240-K256 VanDerWaalsContact O-CB 3.3Å; E240-K256 WeakPolarHBondContact O-CB 3.05Å; E240-K256 PolarHBondContact O-N 3.2Å; E240-K256 IonicContact OE1-NZ 2.74Å; E240-K256 PolarHBondContact OE1-NZ 3.4Å; E240-N257 PolarHBondContact OE2-ND2 2.97Å |
| 241 | W | 63.1 | Low | 65.7 | Low | 77 Ų | 77 | 72.2 Ų | 72.2 | 29% | 0.292 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 123.1 | 175.1 | -71.2 | 82.2 | 0 | 0 | 0 | 110.9 | F213 E220 P235 D238 L253 V254 P255 | F213-W241 HydrophobicContact CZ-CH2 4.39Å; E220-W241 HydrophobicContact CG-CZ3 4.17Å; P235-W241 WeakPolarHBondContact CD-O 3.32Å; P235-W241 VanDerWaalsContact CG-O 3.23Å; P235-W241 WeakPolarHBondContact CG-O 3.37Å; D238-W241 PolarHBondContact O-N 2.83Å; D238-W241 VanDerWaalsContact OD1-CD1 3.31Å; W241-L253 HydrophobicContact CE3-CB 3.81Å; W241-L253 HydrophobicContact CZ3-CB 4.38Å; W241-V254 WeakPolarHBondContact CA-O 3.2Å; W241-P255 HydrophobicContact CD2-CG 4.41Å; W241-P255 HydrophobicContact CE3-CB 4.45Å; W241-P255 HydrophobicContact CE3-CG 3.91Å; W241-P255 HydrophobicContact CH2-CG 3.65Å; W241-P255 HydrophobicContact CZ2-CG 4.1Å; W241-P255 HydrophobicContact CZ3-CB 4.49Å; W241-P255 HydrophobicContact CZ3-CG 3.53Å |
| 242 | W | 74.8 | Confident | 65.4 | Low | 27 Ų | 27 | 72.4 Ų | 72.4 | 10% | 0.102 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 135.8 | -179.6 | -65.2 | -6.2 | 0 | 0 | 0 | 110.1 | V207 V231 K234 P239 C244 V254 K256 V259 V261 | V207-W242 HydrophobicContact CG1-CE3 4.08Å; V207-W242 HydrophobicContact CG1-CZ3 3.78Å; V231-W242 HydrophobicContact CG1-CB 4.2Å; V231-W242 HydrophobicContact CG1-CG 4.49Å; V231-W242 HydrophobicContact CG2-CE3 3.74Å; V231-W242 HydrophobicContact CG2-CZ3 4.35Å; K234-W242 HydrophobicContact CG-CG 4.36Å; P239-W242 PolarHBondContact O-NE1 3.48Å; W242-C244 PolarHBondContact O-N 3.4Å; W242-V254 PolarHBondContact N-O 3.19Å; W242-V254 PolarHBondContact O-N 3.02Å; W242-K256 HydrophobicContact CD2-CB 4.42Å; W242-K256 HydrophobicContact CD2-CG 4.45Å; W242-K256 HydrophobicContact CH2-CD 4.43Å; W242-K256 HydrophobicContact CH2-CG 4.03Å; W242-K256 HydrophobicContact CZ2-CB 4.38Å; W242-K256 HydrophobicContact CZ2-CD 3.58Å; W242-K256 HydrophobicContact CZ2-CG 3.58Å; W242-V259 HydrophobicContact CE3-CG2 4.04Å; W242-V259 HydrophobicContact CZ3-CG2 4.24Å; W242-V261 HydrophobicContact CH2-CG2 3.78Å; W242-V261 HydrophobicContact CZ3-CG2 3.69Å |
| 243 | K | 72.3 | Confident | 64.8 | Low | 78 Ų | 78 | 73.5 Ų | 73.5 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 110 | 173.2 | -165.5 | 174.2 | -178.3 | 176.8 | 0 | 108.2 | I232 E233 L253 | I232-K243 PolarHBondContact N-O 3.48Å; E233-K243 HydrophobicContact CB-CB 3.85Å; E233-K243 HydrophobicContact CB-CD 4.09Å; E233-K243 PolarHBondContact N-O 3.4Å; E233-K243 WeakPolarHBondContact O-CB 3.43Å; E233-K243 PolarHBondContact O-N 3.36Å; E233-K243 IonicContact OE2-NZ 2.79Å; K243-L253 HydrophobicContact CB-CD2 4.22Å |
| 244 | C | 80.3 | Confident | 64.9 | Low | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 153.7 | -177.7 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | L221 M229 E230 W242 L251 G252 V254 | L221-C244 HydrophobicContact CD2-CB 3.93Å; L221-C244 WeakPolarHBondContact CD2-O 2.95Å; M229-C244 HydrophobicContact CB-CB 4.11Å; E230-C244 CarbonylContact O-C 3.47Å; E230-C244 VanDerWaalsContact O-CA 3.26Å; E230-C244 WeakPolarHBondContact O-CA 3.48Å; W242-C244 PolarHBondContact O-N 3.4Å; C244-L251 WeakPolarHBondContact O-CA 3.18Å; C244-G252 PolarHBondContact N-O 2.81Å; C244-G252 PolarHBondContact O-N 2.84Å; C244-G252 VanDerWaalsContact O-N 3.07Å; C244-V254 HydrophobicContact CB-CB 4.22Å; C244-V254 HydrophobicContact CB-CG2 3.62Å |
| 245 | R | 79.2 | Confident | 64.6 | Low | 51 Ų | 51 | 65.5 Ų | 65.5 | 19% | 0.192 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.6 | 171.8 | -169.6 | 170.1 | 62.6 | -170.9 | 1.3 | 109.4 | N201 M229 E230 I232 Q250 L251 | N201-R245 PolarHBondContact OD1-NH1 3.44Å; N201-R245 PolarHBondContact OD1-NH2 3.41Å; M229-R245 CarbonylContact C-O 3.58Å; M229-R245 WeakPolarHBondContact CA-O 3.45Å; E230-R245 HydrophobicContact CB-CB 4.35Å; E230-R245 PolarHBondContact N-O 3.43Å; E230-R245 PolarHBondContact O-N 3.05Å; E230-R245 IonicContact OE2-CZ 3.4Å; E230-R245 IonicContact OE2-NE 3.22Å; E230-R245 PolarHBondContact OE2-NE 2.84Å; E230-R245 IonicContact OE2-NH2 2.73Å; E230-R245 PolarHBondContact OE2-NH2 3.09Å; I232-R245 HydrophobicContact CD1-CB 3.92Å; I232-R245 HydrophobicContact CG1-CB 3.73Å; R245-Q250 CarbonylContact C-O 3.35Å; R245-Q250 WeakPolarHBondContact CA-O 3.48Å; R245-L251 HydrophobicContact CB-CD2 3.46Å; R245-L251 VanDerWaalsContact CB-CD2 3.46Å; R245-L251 HydrophobicContact CB-CG 4.43Å; R245-L251 HydrophobicContact CG-CD2 3.68Å; R245-L251 HydrophobicContact CG-CG 4.2Å |
| 246 | K | 75.9 | Confident | 64.9 | Low | 21 Ų | 21 | 67.7 Ų | 67.7 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 163.4 | 170.8 | -88 | -168.8 | 159.6 | -161.8 | 0 | 112.5 | L221 N222 E227 M229 D248 G249 Q250 | L221-K246 HydrophobicContact CD1-CD 4.19Å; L221-K246 HydrophobicContact CD1-CG 4.12Å; L221-K246 HydrophobicContact CD2-CG 4.05Å; L221-K246 HydrophobicContact CG-CD 4.36Å; L221-K246 HydrophobicContact CG-CG 4.14Å; N222-K246 WeakPolarHBondContact O-CE 3.32Å; N222-K246 PolarHBondContact O-NZ 2.83Å; E227-K246 WeakPolarHBondContact OE1-CD 3.13Å; E227-K246 WeakPolarHBondContact OE1-CE 3.45Å; E227-K246 IonicContact OE1-NZ 3.26Å; E227-K246 PolarHBondContact OE1-NZ 2.92Å; E227-K246 WeakPolarHBondContact OE2-CE 3.38Å; E227-K246 IonicContact OE2-NZ 2.88Å; E227-K246 PolarHBondContact OE2-NZ 3.38Å; M229-K246 HydrophobicContact CE-CD 4.03Å; M229-K246 VanDerWaalsContact CE-CE 3.5Å; M229-K246 HydrophobicContact CE-CG 3.3Å; K246-D248 WeakPolarHBondContact CB-OD1 3.39Å; K246-D248 PolarHBondContact O-N 3Å; K246-G249 PolarHBondContact O-N 3.46Å; K246-Q250 PolarHBondContact N-O 2.83Å |
| 247 | A | 68 | Low | 65.6 | Low | 101 Ų | 101 | 63.7 Ų | 63.7 | 84% | 0.835 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G249 | A247-G249 VanDerWaalsContact C-N 3.26Å; A247-G249 PolarHBondContact O-N 2.8Å |
| 248 | D | 66.4 | Low | 66.6 | Low | 121 Ų | 121 | 61 Ų | 61 | 65% | 0.647 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -8.3 | 174.7 | 102.4 | -60.6 | 0 | 0 | 0 | 113.3 | K246 Q250 | K246-D248 WeakPolarHBondContact CB-OD1 3.39Å; K246-D248 PolarHBondContact O-N 3Å; D248-Q250 WeakPolarHBondContact OD1-CB 3.42Å; D248-Q250 PolarHBondContact OD1-N 3.09Å |
| 249 | G | 67 | Low | 67.5 | Low | 46 Ų | 46 | 58.4 Ų | 58.4 | 47% | 0.474 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 94.1 | -4.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K246 A247 | K246-G249 PolarHBondContact O-N 3.46Å; A247-G249 VanDerWaalsContact C-N 3.26Å; A247-G249 PolarHBondContact O-N 2.8Å |
| 250 | Q | 65.8 | Low | 67.8 | Low | 85 Ų | 85 | 57.2 Ų | 57.2 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | trans | -67.3 | 134.5 | 175.5 | -165.4 | 172.4 | 61.6 | 0 | 0 | 111 | L221 N222 R245 K246 D248 | L221-Q250 HydrophobicContact CD1-CB 3.9Å; L221-Q250 HydrophobicContact CD1-CG 3.66Å; N222-Q250 PolarHBondContact ND2-OE1 3.39Å; R245-Q250 CarbonylContact C-O 3.35Å; R245-Q250 WeakPolarHBondContact CA-O 3.48Å; K246-Q250 PolarHBondContact N-O 2.83Å; D248-Q250 WeakPolarHBondContact OD1-CB 3.42Å; D248-Q250 PolarHBondContact OD1-N 3.09Å | ||
| 251 | L | 74.6 | Confident | 68.6 | Low | 90 Ų | 90 | 56.2 Ų | 56.2 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.1 | 179.6 | -73.1 | 165.2 | 0 | 0 | 0 | 109.1 | I232 C244 R245 | I232-L251 HydrophobicContact CG1-CD2 3.94Å; C244-L251 WeakPolarHBondContact O-CA 3.18Å; R245-L251 HydrophobicContact CB-CD2 3.46Å; R245-L251 VanDerWaalsContact CB-CD2 3.46Å; R245-L251 HydrophobicContact CB-CG 4.43Å; R245-L251 HydrophobicContact CG-CD2 3.68Å; R245-L251 HydrophobicContact CG-CG 4.2Å |
| 252 | G | 73.1 | Confident | 68.9 | Low | 5 Ų | 5 | 55.9 Ų | 55.9 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | 171.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | C244 | C244-G252 PolarHBondContact N-O 2.81Å; C244-G252 PolarHBondContact O-N 2.84Å; C244-G252 VanDerWaalsContact O-N 3.07Å |
| 253 | L | 64.8 | Low | 68.1 | Low | 59 Ų | 59 | 60.5 Ų | 60.5 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 133.6 | 177.3 | -63.8 | 173.2 | 0 | 0 | 0 | 110.4 | E219 L221 W241 K243 | E219-L253 PolarHBondContact O-N 3.15Å; L221-L253 PolarHBondContact N-O 2.76Å; L221-L253 VanDerWaalsContact N-O 3.09Å; W241-L253 HydrophobicContact CE3-CB 3.81Å; W241-L253 HydrophobicContact CZ3-CB 4.38Å; K243-L253 HydrophobicContact CB-CD2 4.22Å |
| 254 | V | 71.4 | Confident | 66.7 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 126.6 | -179 | 175 | 0 | 0 | 0 | 0 | 109.2 | L221 F223 M229 W241 W242 C244 K256 V259 | L221-V254 HydrophobicContact CB-CG2 3.7Å; L221-V254 HydrophobicContact CD2-CG2 3.78Å; L221-V254 HydrophobicContact CG-CG2 4.31Å; F223-V254 HydrophobicContact CD1-CG1 4.34Å; F223-V254 HydrophobicContact CD1-CG2 4Å; F223-V254 HydrophobicContact CE1-CB 4.07Å; F223-V254 HydrophobicContact CE1-CG1 3.47Å; F223-V254 VanDerWaalsContact CE1-CG1 3.47Å; F223-V254 HydrophobicContact CE1-CG2 3.7Å; F223-V254 HydrophobicContact CZ-CG1 3.61Å; M229-V254 HydrophobicContact CE-CG2 4.41Å; M229-V254 HydrophobicContact SD-CG2 4.16Å; W241-V254 WeakPolarHBondContact CA-O 3.2Å; W242-V254 PolarHBondContact N-O 3.19Å; W242-V254 PolarHBondContact O-N 3.02Å; C244-V254 HydrophobicContact CB-CB 4.22Å; C244-V254 HydrophobicContact CB-CG2 3.62Å; V254-K256 PolarHBondContact O-N 3Å; V254-V259 HydrophobicContact CG1-CB 4.37Å; V254-V259 HydrophobicContact CG1-CG1 3.36Å; V254-V259 HydrophobicContact CG1-CG2 4.06Å |
| 255 | P | 61.1 | Low | 64.5 | Low | 13 Ų | 13 | 66.9 Ų | 66.9 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 130.2 | 174.8 | -16.4 | 26.4 | 0 | 0 | 0 | 110.9 | F213 W241 N257 Y258 | F213-P255 HydrophobicContact CE2-CG 4.29Å; F213-P255 HydrophobicContact CZ-CG 4.33Å; W241-P255 HydrophobicContact CD2-CG 4.41Å; W241-P255 HydrophobicContact CE3-CB 4.45Å; W241-P255 HydrophobicContact CE3-CG 3.91Å; W241-P255 HydrophobicContact CH2-CG 3.65Å; W241-P255 HydrophobicContact CZ2-CG 4.1Å; W241-P255 HydrophobicContact CZ3-CB 4.49Å; W241-P255 HydrophobicContact CZ3-CG 3.53Å; P255-N257 PolarHBondContact O-N 2.67Å; P255-Y258 HydrophobicContact CB-CD2 3.89Å; P255-Y258 HydrophobicContact CB-CG 4.38Å; P255-Y258 HydrophobicContact CG-CD2 4.29Å; P255-Y258 WeakPolarHBondContact O-CB 2.99Å; P255-Y258 PolarHBondContact O-N 2.84Å |
| 256 | K | 63.5 | Low | 62.6 | Low | 76 Ų | 76 | 69.3 Ų | 69.3 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -58.1 | -34 | 178 | 176.5 | -179.9 | 164 | -158.7 | 0 | 113.1 | E240 W242 V254 Y258 V259 | E240-K256 VanDerWaalsContact O-CB 3.3Å; E240-K256 WeakPolarHBondContact O-CB 3.05Å; E240-K256 PolarHBondContact O-N 3.2Å; E240-K256 IonicContact OE1-NZ 2.74Å; E240-K256 PolarHBondContact OE1-NZ 3.4Å; W242-K256 HydrophobicContact CD2-CB 4.42Å; W242-K256 HydrophobicContact CD2-CG 4.45Å; W242-K256 HydrophobicContact CH2-CD 4.43Å; W242-K256 HydrophobicContact CH2-CG 4.03Å; W242-K256 HydrophobicContact CZ2-CB 4.38Å; W242-K256 HydrophobicContact CZ2-CD 3.58Å; W242-K256 HydrophobicContact CZ2-CG 3.58Å; V254-K256 PolarHBondContact O-N 3Å; K256-Y258 PolarHBondContact O-N 3.36Å; K256-V259 PolarHBondContact O-N 3.13Å; K256-V259 VanDerWaalsContact O-O 3.05Å |
| 257 | N | 56.4 | Low | 60.8 | Low | 114 Ų | 114 | 76.3 Ų | 76.3 | 61% | 0.61 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -69.4 | -9.2 | 178.2 | -69.1 | -60.5 | 0 | 0 | 0 | 113.8 | E240 P255 | E240-N257 PolarHBondContact OE2-ND2 2.97Å; P255-N257 PolarHBondContact O-N 2.67Å |
| 258 | Y | 59.2 | Low | 58.9 | Low | 91 Ų | 91 | 81.7 Ų | 81.7 | 36% | 0.357 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -103.9 | -3.7 | -178.8 | -79.8 | -116.4 | 0 | 0 | 0 | 112.9 | A209 L210 Y211 F213 P255 K256 | A209-Y258 CarbonylContact C-O 3.52Å; A209-Y258 WeakPolarHBondContact CA-O 3.2Å; L210-Y258 PolarHBondContact N-O 2.95Å; Y211-Y258 HydrophobicContact CD2-CD1 4.42Å; F213-Y258 HydrophobicContact CB-CD1 4.2Å; F213-Y258 HydrophobicContact CD2-CD1 4.24Å; F213-Y258 HydrophobicContact CD2-CE1 4.12Å; P255-Y258 HydrophobicContact CB-CD2 3.89Å; P255-Y258 HydrophobicContact CB-CG 4.38Å; P255-Y258 HydrophobicContact CG-CD2 4.29Å; P255-Y258 WeakPolarHBondContact O-CB 2.99Å; P255-Y258 PolarHBondContact O-N 2.84Å; K256-Y258 PolarHBondContact O-N 3.36Å |
| 259 | V | 67.6 | Low | 57.4 | Low | 11 Ų | 11 | 80.7 Ų | 80.7 | 7% | 0.067 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.6 | -175.9 | -66 | 0 | 0 | 0 | 0 | 112.7 | V207 Q208 A209 W242 V254 K256 | V207-V259 HydrophobicContact CB-CB 4.05Å; V207-V259 HydrophobicContact CB-CG2 4.35Å; V207-V259 HydrophobicContact CG2-CB 4.12Å; V207-V259 HydrophobicContact CG2-CG1 4.3Å; V207-V259 HydrophobicContact CG2-CG2 4.34Å; Q208-V259 CarbonylContact O-C 3.57Å; Q208-V259 VanDerWaalsContact O-CA 3.27Å; Q208-V259 WeakPolarHBondContact O-CA 3.39Å; A209-V259 HydrophobicContact CB-CG1 4.47Å; W242-V259 HydrophobicContact CE3-CG2 4.04Å; W242-V259 HydrophobicContact CZ3-CG2 4.24Å; V254-V259 HydrophobicContact CG1-CB 4.37Å; V254-V259 HydrophobicContact CG1-CG1 3.36Å; V254-V259 HydrophobicContact CG1-CG2 4.06Å; K256-V259 PolarHBondContact O-N 3.13Å; K256-V259 VanDerWaalsContact O-O 3.05Å |
| 260 | T | 63.5 | Low | 55.6 | Low | 60 Ų | 60 | 85.6 Ų | 85.6 | 37% | 0.368 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.4 | 175.6 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | V207 Q208 L210 | V207-T260 CarbonylContact C-O 3.47Å; V207-T260 WeakPolarHBondContact CA-O 3.36Å; V207-T260 VanDerWaalsContact CB-O 3.31Å; V207-T260 WeakPolarHBondContact CB-O 3.41Å; Q208-T260 HydrophobicContact CB-CG2 3.99Å; Q208-T260 PolarHBondContact N-O 3.05Å; Q208-T260 PolarHBondContact O-N 2.83Å; L210-T260 HydrophobicContact CD2-CG2 3.85Å; L210-T260 HydrophobicContact CG-CG2 4.41Å |
| 261 | V | 72.1 | Confident | 54 | Low | 55 Ų | 55 | 86.7 Ų | 86.7 | 33% | 0.333 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.2 | -179.6 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | H205 T206 V207 W242 | H205-V261 HydrophobicContact CB-CG1 3.88Å; T206-V261 CarbonylContact O-C 3.58Å; V207-V261 HydrophobicContact CG1-CB 4.42Å; V207-V261 HydrophobicContact CG1-CG2 3.85Å; W242-V261 HydrophobicContact CH2-CG2 3.78Å; W242-V261 HydrophobicContact CZ3-CG2 3.69Å |
| 262 | L | 69.1 | Low | 51.7 | Low | 69 Ų | 69 | 85.8 Ų | 85.8 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 101.7 | 170.5 | -67.6 | 173.3 | 0 | 0 | 0 | 108.7 | T206 Q208 V228 | T206-L262 HydrophobicContact CG2-CB 4.33Å; T206-L262 HydrophobicContact CG2-CD1 4.22Å; T206-L262 PolarHBondContact O-N 2.77Å; Q208-L262 HydrophobicContact CB-CD1 3.87Å; Q208-L262 HydrophobicContact CB-CG 4.16Å; V228-L262 HydrophobicContact CG1-CD1 4.19Å; V228-L262 HydrophobicContact CG2-CD1 4.13Å |
| 263 | D | 59.4 | Low | 50.4 | Low | 124 Ų | 124 | 92.1 Ų | 92.1 | 66% | 0.663 | 55% | 0.549 | S | S | * | . | trans | -79.4 | 127.6 | 178.4 | -130.7 | -84.8 | 0 | 0 | 0 | 111 | S265 | D263-S265 PolarHBondContact O-N 2.97Š| ||
| 264 | S | 42.6 | Very low | 48.8 | Very low | 116 Ų | 116 | 93.9 Ų | 93.9 | 81% | 0.811 | 57% | 0.572 | S | S | * | * | trans | -96.9 | 69 | -177.9 | 38.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 265 | S | 34.3 | Very low | 46.7 | Very low | 96 Ų | 96 | 97 Ų | 97 | 67% | 0.671 | 60% | 0.604 | S | S | * | * | trans | -132.9 | 88.4 | 168.5 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | D263 | D263-S265 PolarHBondContact O-N 2.97Š| ||
| 266 | S | 37.9 | Very low | 45.6 | Very low | 102 Ų | 102 | 102.6 Ų | 102.6 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | trans | -65.6 | 151.4 | 165 | 44.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 267 | H | 38.4 | Very low | 44.4 | Very low | 168 Ų | 168 | 104.7 Ų | 104.7 | 78% | 0.778 | 66% | 0.661 | S | S | * | * | cis | -173.7 | 142.6 | 3.3 | -100.6 | -57.6 | 0 | 0 | 0 | 108.3 | ||||
| 268 | K | 29.5 | Very low | 43.2 | Very low | 214 Ų | 214 | 104 Ų | 104 | 93% | 0.93 | 66% | 0.662 | S | S | * | * | -167.5 | 120 | 118.8 | -116.5 | -174.4 | -176 | -175.9 | 0 | 112.4 | |||||
| 269 | S | 34.9 | Very low | 42.1 | Very low | 100 Ų | 100 | 106 Ų | 106 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | -82.4 | 155.9 | -177.6 | -36 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 270 | T | 29.1 | Very low | 40.4 | Very low | 149 Ų | 149 | 110.9 Ų | 110.9 | 91% | 0.914 | 71% | 0.711 | S | S | * | * | trans | -126.6 | 136.5 | 144.3 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 271 | A | 31 | Very low | 39.5 | Very low | 109 Ų | 109 | 112.1 Ų | 112.1 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | trans | -82.8 | 162.1 | -157.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 272 | G | 27.2 | Very low | 37.7 | Very low | 70 Ų | 70 | 112 Ų | 112 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | 144.2 | 136.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 273 | P | 45.3 | Very low | 36.8 | Very low | 139 Ų | 139 | 116.8 Ų | 116.8 | 90% | 0.903 | 73% | 0.734 | S | S | * | * | trans | -94.7 | 124.3 | -142.6 | 35.5 | -31 | 0 | 0 | 0 | 113.9 | ||||
| 274 | A | 31.6 | Very low | 36.7 | Very low | 96 Ų | 96 | 112.1 Ų | 112.1 | 79% | 0.793 | 71% | 0.708 | S | S | * | * | trans | -148.8 | 136.7 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 275 | G | 28 | Very low | 37.5 | Very low | 65 Ų | 65 | 108.6 Ų | 108.6 | 67% | 0.67 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 152.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 276 | P | 38.2 | Very low | 38.8 | Very low | 130 Ų | 130 | 105.9 Ų | 105.9 | 84% | 0.844 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 131.4 | -178.9 | -11.3 | 26.6 | 0 | 0 | 0 | 109.5 | ||
| 277 | P | 36.2 | Very low | 40.1 | Very low | 120 Ų | 120 | 102.3 Ų | 102.3 | 78% | 0.779 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -76 | 164.3 | -171.3 | 32.3 | -34.3 | 0 | 0 | 0 | 112.3 | ||
| 278 | T | 32 | Very low | 40.9 | Very low | 100 Ų | 100 | 97.7 Ų | 97.7 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 155.7 | 174.1 | 38.1 | 0 | 0 | 0 | 0 | 113.5 | D280 | T278-D280 PolarHBondContact O-N 2.82Å; T278-D280 PolarHBondContact OG1-OD2 3.26Å; T278-D280 VanDerWaalsContact OG1-OD2 3.05Å |
| 279 | P | 36.8 | Very low | 42 | Very low | 133 Ų | 133 | 91.7 Ų | 91.7 | 86% | 0.864 | 62% | 0.622 | S | S | * | * | trans | -69.8 | 88.9 | 168 | 30.8 | -30.6 | 0 | 0 | 0 | 107.7 | C281 | P279-C281 PolarHBondContact O-N 3.11Š| ||
| 280 | D | 31.9 | Very low | 43.3 | Very low | 113 Ų | 113 | 89.1 Ų | 89.1 | 60% | 0.604 | 61% | 0.61 | S | S | * | * | trans | -74.5 | 111.4 | 179.4 | -110.8 | -103.8 | 0 | 0 | 0 | 109.8 | T278 D282 | T278-D280 PolarHBondContact O-N 2.82Å; T278-D280 PolarHBondContact OG1-OD2 3.26Å; T278-D280 VanDerWaalsContact OG1-OD2 3.05Å; D280-D282 HydrophobicContact CB-CB 4.26Å; D280-D282 PolarHBondContact O-N 2.81Å; D280-D282 WeakPolarHBondContact OD1-CB 3.46Å | ||
| 281 | C | 43.3 | Very low | 45 | Very low | 87 Ų | 87 | 88.7 Ų | 88.7 | 59% | 0.588 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -71.4 | 55.5 | 166.1 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | P279 Q313 | P279-C281 PolarHBondContact O-N 3.11Å; C281-Q313 PolarHBondContact O-NE2 2.82Å |
| 282 | D | 34.5 | Very low | 46.8 | Very low | 53 Ų | 53 | 84.7 Ų | 84.7 | 28% | 0.283 | 55% | 0.554 | S | S | . | * | trans | -156.5 | 21.7 | -158.2 | -92 | -63.2 | 0 | 0 | 0 | 118.6 | D280 Q313 R314 | D280-D282 HydrophobicContact CB-CB 4.26Å; D280-D282 PolarHBondContact O-N 2.81Å; D280-D282 WeakPolarHBondContact OD1-CB 3.46Å; D282-Q313 PolarHBondContact OD1-NE2 3.17Å; D282-Q313 PolarHBondContact OD1-OE1 3.07Å; D282-Q313 PolarHBondContact OD2-NE2 2.95Å; D282-Q313 VanDerWaalsContact OD2-NE2 3.13Å; D282-R314 PolarHBondContact O-NH1 2.84Å | ||
| 283 | Y | 50.3 | Low | 48.6 | Very low | 169 Ų | 169 | 83.6 Ų | 83.6 | 66% | 0.663 | 54% | 0.539 | S | S | * | . | trans | -138.3 | 69 | 179.4 | -134 | -93.8 | 0 | 0 | 0 | 115.4 | S285 S394 | Y283-S285 WeakPolarHBondContact CE1-OG 3.4Å; Y283-S394 VanDerWaalsContact CZ-O 3.27Å; Y283-S394 PolarHBondContact OH-O 3.49Å | ||
| 284 | I | 57.9 | Low | 49.4 | Very low | 25 Ų | 25 | 80.2 Ų | 80.2 | 13% | 0.128 | 53% | 0.529 | C | S | . | . | trans | -86 | 133.3 | 155.4 | 60.5 | 169.5 | 0 | 0 | 0 | 109.6 | Y299 V302 Q306 A310 R314 L321 | I284-Y299 HydrophobicContact CB-CD1 3.92Å; I284-Y299 HydrophobicContact CB-CE1 4.1Å; I284-Y299 HydrophobicContact CD1-CD1 3.88Å; I284-Y299 HydrophobicContact CD1-CE1 4.02Å; I284-Y299 HydrophobicContact CG1-CD1 3.99Å; I284-Y299 HydrophobicContact CG1-CE1 3.86Å; I284-V302 HydrophobicContact CB-CG2 4.24Å; I284-V302 HydrophobicContact CD1-CG1 4.08Å; I284-V302 HydrophobicContact CG2-CG1 4.36Å; I284-V302 HydrophobicContact CG2-CG2 3.83Å; I284-Q306 HydrophobicContact CG2-CB 4.43Å; I284-A310 HydrophobicContact CD1-CB 3.13Å; I284-A310 HydrophobicContact CG1-CB 3.48Å; I284-A310 VanDerWaalsContact CG1-CB 3.48Å; I284-R314 PolarHBondContact O-NH1 3.39Å; I284-R314 PolarHBondContact O-NH2 3.01Å; I284-L321 HydrophobicContact CD1-CD2 4.14Å | ||
| 285 | S | 59.9 | Low | 51.5 | Low | 42 Ų | 42 | 79.2 Ų | 79.2 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | trans | -129 | 159.4 | 177.7 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | Y283 S287 Y299 | Y283-S285 WeakPolarHBondContact CE1-OG 3.4Å; S285-S287 PolarHBondContact O-N 2.78Å; S285-Y299 WeakPolarHBondContact O-CD1 3.48Å | ||
| 286 | P | 61.6 | Low | 53.6 | Low | 39 Ų | 39 | 83.3 Ų | 83.3 | 25% | 0.253 | 51% | 0.508 | S | S | . | . | trans | -52.7 | 126.9 | 175.3 | -25.1 | 33.9 | 0 | 0 | 0 | 110.5 | G288 Y298 Y299 A393 | P286-G288 PolarHBondContact O-N 3.26Å; P286-Y298 CarbonylContact C-O 3.58Å; P286-Y298 VanDerWaalsContact CA-O 3.26Å; P286-Y298 WeakPolarHBondContact CA-O 3.36Å; P286-Y299 HydrophobicContact CG-CE2 4.27Å; P286-A393 VanDerWaalsContact CD-CB 3.47Å; P286-A393 HydrophobicContact CG-CB 4.12Å | ||
| 287 | S | 64.3 | Low | 55.7 | Low | 28 Ų | 28 | 78.3 Ų | 78.3 | 20% | 0.196 | 47% | 0.473 | C | S | . | . | trans | -69.7 | 125.9 | -175.2 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | S285 S289 A293 G294 Y298 | S285-S287 PolarHBondContact O-N 2.78Å; S287-S289 PolarHBondContact O-N 3.16Å; S287-S289 PolarHBondContact OG-N 2.91Å; S287-S289 PolarHBondContact OG-O 2.94Å; S287-A293 WeakPolarHBondContact O-CA 3.4Å; S287-G294 PolarHBondContact O-N 3.27Å; S287-G294 VanDerWaalsContact O-N 3.13Å; S287-Y298 PolarHBondContact N-O 2.54Å | ||
| 288 | G | 55.7 | Low | 57.9 | Low | 70 Ų | 70 | 72.8 Ų | 72.8 | 72% | 0.722 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -80 | 3.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P286 A293 | P286-G288 PolarHBondContact O-N 3.26Å; G288-A293 VanDerWaalsContact C-CB 3.46Å; G288-A293 VanDerWaalsContact O-CB 3.31Å; G288-A293 WeakPolarHBondContact O-CB 3.45Å |
| 289 | S | 52.1 | Low | 60.1 | Low | 89 Ų | 89 | 68.3 Ų | 68.3 | 62% | 0.622 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -131.6 | 142.8 | -177.7 | -175.5 | 0 | 0 | 0 | 0 | 111 | S287 | S287-S289 PolarHBondContact O-N 3.16Å; S287-S289 PolarHBondContact OG-N 2.91Å; S287-S289 PolarHBondContact OG-O 2.94Å |
| 290 | G | 61.8 | Low | 62.1 | Low | 45 Ų | 45 | 62 Ų | 62 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 113.7 | -178.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F292 A293 | G290-F292 PolarHBondContact O-N 3.46Å; G290-A293 WeakPolarHBondContact O-CB 3.23Å; G290-A293 PolarHBondContact O-N 2.57Å |
| 291 | R | 64.8 | Low | 63.9 | Low | 140 Ų | 140 | 66 Ų | 66 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.7 | -171.1 | -150.1 | -169.3 | -89.2 | -175.5 | -4.1 | 113.6 | ||
| 292 | F | 70.5 | Confident | 65.2 | Low | 25 Ų | 25 | 62.4 Ų | 62.4 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 29.5 | 176.6 | -52.5 | -71.6 | 0 | 0 | 0 | 112.1 | G290 G294 K295 W297 Y298 F332 Y354 M364 | G290-F292 PolarHBondContact O-N 3.46Å; F292-G294 PolarHBondContact O-N 2.93Å; F292-K295 HydrophobicContact CB-CG 4.28Å; F292-K295 WeakPolarHBondContact O-CB 3.16Å; F292-K295 WeakPolarHBondContact O-CG 3.43Å; F292-K295 PolarHBondContact O-N 2.95Å; F292-W297 HydrophobicContact CB-CH2 3.98Å; F292-W297 HydrophobicContact CB-CZ3 4.07Å; F292-W297 AromaticContact CD1-CH2 3.91Å; F292-W297 HydrophobicContact CD1-CH2 3.91Å; F292-W297 HydrophobicContact CD2-CZ3 4.43Å; F292-W297 AromaticContact CG-CH2 3.9Å; F292-W297 HydrophobicContact CG-CH2 3.9Å; F292-W297 HydrophobicContact CG-CZ3 4.11Å; F292-Y298 HydrophobicContact CB-CD1 3.81Å; F292-Y298 HydrophobicContact CB-CD2 4.14Å; F292-Y298 HydrophobicContact CB-CE1 4.28Å; F292-Y298 HydrophobicContact CB-CG 3.7Å; F292-Y298 HydrophobicContact CD2-CD2 4.16Å; F292-Y298 HydrophobicContact CD2-CE2 4.14Å; F292-Y298 WeakPolarHBondContact O-CD1 3.24Å; F292-F332 HydrophobicContact CD2-CE1 4.12Å; F292-F332 HydrophobicContact CD2-CZ 4.3Å; F292-F332 HydrophobicContact CE2-CD1 4.36Å; F292-F332 AromaticContact CE2-CE1 3.82Å; F292-F332 HydrophobicContact CE2-CE1 3.82Å; F292-F332 HydrophobicContact CE2-CE2 4Å; F292-F332 AromaticContact CE2-CZ 3.62Å; F292-F332 HydrophobicContact CE2-CZ 3.62Å; F292-Y354 HydrophobicContact CE2-CE1 4.36Å; F292-Y354 AromaticContact CZ-CE1 3.83Å; F292-Y354 HydrophobicContact CZ-CE1 3.83Å; F292-Y354 AromaticContact CZ-CZ 3.74Å; F292-Y354 WeakPolarHBondContact CZ-OH 3.4Å; F292-M364 HydrophobicContact CD1-CB 4.41Å; F292-M364 HydrophobicContact CE1-CB 3.63Å; F292-M364 HydrophobicContact CE1-CG 4.45Å; F292-M364 HydrophobicContact CE2-CB 4.14Å; F292-M364 HydrophobicContact CE2-CG 4.25Å; F292-M364 HydrophobicContact CZ-CB 3.46Å; F292-M364 VanDerWaalsContact CZ-CB 3.46Å; F292-M364 HydrophobicContact CZ-CG 4.07Å |
| 293 | A | 65.1 | Low | 67.2 | Low | 48 Ų | 48 | 62 Ų | 62 | 40% | 0.397 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 132.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S287 G288 G290 | S287-A293 WeakPolarHBondContact O-CA 3.4Å; G288-A293 VanDerWaalsContact C-CB 3.46Å; G288-A293 VanDerWaalsContact O-CB 3.31Å; G288-A293 WeakPolarHBondContact O-CB 3.45Å; G290-A293 WeakPolarHBondContact O-CB 3.23Å; G290-A293 PolarHBondContact O-N 2.57Å |
| 294 | G | 61.9 | Low | 68.3 | Low | 67 Ų | 67 | 59.3 Ų | 59.3 | 69% | 0.691 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 2.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S287 F292 | S287-G294 PolarHBondContact O-N 3.27Å; S287-G294 VanDerWaalsContact O-N 3.13Å; F292-G294 PolarHBondContact O-N 2.93Å |
| 295 | K | 75.3 | Confident | 69 | Low | 75 Ų | 75 | 64.1 Ų | 64.1 | 33% | 0.326 | 37% | 0.365 | S | S | . | . | trans | -87 | 129.4 | 169.3 | -64.3 | -65.1 | -168.4 | 178 | 0 | 110.4 | F292 W297 Y298 E365 | F292-K295 HydrophobicContact CB-CG 4.28Å; F292-K295 WeakPolarHBondContact O-CB 3.16Å; F292-K295 WeakPolarHBondContact O-CG 3.43Å; F292-K295 PolarHBondContact O-N 2.95Å; K295-W297 HydrophobicContact CB-CD2 3.9Å; K295-W297 HydrophobicContact CB-CE3 4.29Å; K295-W297 HydrophobicContact CB-CG 4.41Å; K295-W297 HydrophobicContact CB-CH2 4.25Å; K295-W297 HydrophobicContact CB-CZ2 3.81Å; K295-W297 HydrophobicContact CB-CZ3 4.46Å; K295-W297 HydrophobicContact CD-CZ2 3.94Å; K295-W297 HydrophobicContact CG-CH2 4.08Å; K295-W297 HydrophobicContact CG-CZ2 3.6Å; K295-W297 PolarHBondContact O-N 2.78Å; K295-W297 VanDerWaalsContact O-N 3.09Å; K295-Y298 PolarHBondContact O-N 3.04Å; K295-E365 WeakPolarHBondContact CE-OE1 3.49Å; K295-E365 IonicContact NZ-OE1 2.62Å; K295-E365 PolarHBondContact NZ-OE1 3.48Å | ||
| 296 | E | 72.4 | Confident | 69.4 | Low | 151 Ų | 151 | 66.1 Ų | 66.1 | 71% | 0.706 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.2 | -178.4 | -58.9 | -177.7 | 100.7 | 0 | 0 | 113.8 | Y299 A390 | E296-Y299 WeakPolarHBondContact O-CE2 3.46Å; E296-A390 HydrophobicContact CB-CB 4.37Å |
| 297 | W | 81.8 | Confident | 70.1 | Confident | 26 Ų | 26 | 64.3 Ų | 64.3 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.7 | 177.6 | 45.2 | -98.5 | 0 | 0 | 0 | 113.9 | F292 K295 F320 I322 M364 E365 A390 | F292-W297 HydrophobicContact CB-CH2 3.98Å; F292-W297 HydrophobicContact CB-CZ3 4.07Å; F292-W297 AromaticContact CD1-CH2 3.91Å; F292-W297 HydrophobicContact CD1-CH2 3.91Å; F292-W297 HydrophobicContact CD2-CZ3 4.43Å; F292-W297 AromaticContact CG-CH2 3.9Å; F292-W297 HydrophobicContact CG-CH2 3.9Å; F292-W297 HydrophobicContact CG-CZ3 4.11Å; K295-W297 HydrophobicContact CB-CD2 3.9Å; K295-W297 HydrophobicContact CB-CE3 4.29Å; K295-W297 HydrophobicContact CB-CG 4.41Å; K295-W297 HydrophobicContact CB-CH2 4.25Å; K295-W297 HydrophobicContact CB-CZ2 3.81Å; K295-W297 HydrophobicContact CB-CZ3 4.46Å; K295-W297 HydrophobicContact CD-CZ2 3.94Å; K295-W297 HydrophobicContact CG-CH2 4.08Å; K295-W297 HydrophobicContact CG-CZ2 3.6Å; K295-W297 PolarHBondContact O-N 2.78Å; K295-W297 VanDerWaalsContact O-N 3.09Å; W297-F320 HydrophobicContact CB-CE2 3.74Å; W297-F320 HydrophobicContact CB-CZ 4.12Å; W297-F320 HydrophobicContact CG-CE2 4.39Å; W297-I322 HydrophobicContact CD2-CD1 3.96Å; W297-I322 HydrophobicContact CE3-CB 3.98Å; W297-I322 HydrophobicContact CE3-CD1 3.24Å; W297-I322 HydrophobicContact CE3-CG1 4.01Å; W297-I322 HydrophobicContact CZ3-CB 4.39Å; W297-I322 HydrophobicContact CZ3-CD1 3.65Å; W297-I322 HydrophobicContact CZ3-CG2 4.49Å; W297-I322 PolarHBondContact O-N 3.47Å; W297-M364 HydrophobicContact CH2-CB 4.21Å; W297-M364 HydrophobicContact CH2-CG 3.87Å; W297-M364 HydrophobicContact CZ3-CG 3.89Å; W297-E365 HydrophobicContact CZ2-CG 3.95Å; W297-A390 HydrophobicContact CB-CB 3.72Å |
| 298 | Y | 82.8 | Confident | 70.7 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 120.2 | -176.8 | -178.7 | -114.8 | 0 | 0 | 0 | 111.1 | P286 S287 F292 K295 G300 I322 D324 F332 | P286-Y298 CarbonylContact C-O 3.58Å; P286-Y298 VanDerWaalsContact CA-O 3.26Å; P286-Y298 WeakPolarHBondContact CA-O 3.36Å; S287-Y298 PolarHBondContact N-O 2.54Å; F292-Y298 HydrophobicContact CB-CD1 3.81Å; F292-Y298 HydrophobicContact CB-CD2 4.14Å; F292-Y298 HydrophobicContact CB-CE1 4.28Å; F292-Y298 HydrophobicContact CB-CG 3.7Å; F292-Y298 HydrophobicContact CD2-CD2 4.16Å; F292-Y298 HydrophobicContact CD2-CE2 4.14Å; F292-Y298 WeakPolarHBondContact O-CD1 3.24Å; K295-Y298 PolarHBondContact O-N 3.04Å; Y298-G300 VanDerWaalsContact CZ-CA 3.43Å; Y298-I322 HydrophobicContact CD2-CB 4.5Å; Y298-I322 HydrophobicContact CD2-CG2 4.2Å; Y298-D324 WeakPolarHBondContact CE2-OD1 3.37Å; Y298-D324 PolarHBondContact OH-OD1 3.24Å; Y298-D324 PolarHBondContact OH-OD2 2.95Å; Y298-F332 HydrophobicContact CE2-CD1 4.23Å; Y298-F332 HydrophobicContact CE2-CE1 4.1Å |
| 299 | Y | 78.5 | Confident | 71.4 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -0.3 | -176 | -81.8 | -107.6 | 0 | 0 | 0 | 112.5 | I284 S285 P286 E296 K301 V302 L321 I322 L391 A392 | I284-Y299 HydrophobicContact CB-CD1 3.92Å; I284-Y299 HydrophobicContact CB-CE1 4.1Å; I284-Y299 HydrophobicContact CD1-CD1 3.88Å; I284-Y299 HydrophobicContact CD1-CE1 4.02Å; I284-Y299 HydrophobicContact CG1-CD1 3.99Å; I284-Y299 HydrophobicContact CG1-CE1 3.86Å; S285-Y299 WeakPolarHBondContact O-CD1 3.48Å; P286-Y299 HydrophobicContact CG-CE2 4.27Å; E296-Y299 WeakPolarHBondContact O-CE2 3.46Å; Y299-K301 PolarHBondContact O-N 2.92Å; Y299-V302 WeakPolarHBondContact O-CG2 3.39Å; Y299-L321 HydrophobicContact CD2-CB 3.66Å; Y299-L321 HydrophobicContact CE2-CB 3.94Å; Y299-L321 HydrophobicContact CG-CB 4.25Å; Y299-I322 PolarHBondContact N-O 3.33Å; Y299-L391 HydrophobicContact CE2-CB 4.33Å; Y299-L391 PolarHBondContact OH-O 2.75Å; Y299-A392 PolarHBondContact OH-O 3.14Å |
| 300 | G | 78 | Confident | 72.6 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 62.9 | -129.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y298 V302 R323 D324 | Y298-G300 VanDerWaalsContact CZ-CA 3.43Å; G300-V302 PolarHBondContact O-N 3.4Å; G300-R323 CarbonylContact O-C 3.49Å; G300-R323 WeakPolarHBondContact O-CA 3.4Å; G300-D324 PolarHBondContact O-N 3.22Å |
| 301 | K | 69.8 | Low | 73.4 | Confident | 195 Ų | 195 | 57 Ų | 57 | 85% | 0.848 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -75.5 | 59.5 | -177 | -62.9 | -174.5 | -179.2 | -175.6 | 0 | 112.6 | Y299 | Y299-K301 PolarHBondContact O-N 2.92Š|
| 302 | V | 70.3 | Confident | 73.9 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | trans | -102.2 | 133.4 | 172.9 | 166.5 | 0 | 0 | 0 | 0 | 109.2 | I284 Y299 G300 Q306 A307 R323 | I284-V302 HydrophobicContact CB-CG2 4.24Å; I284-V302 HydrophobicContact CD1-CG1 4.08Å; I284-V302 HydrophobicContact CG2-CG1 4.36Å; I284-V302 HydrophobicContact CG2-CG2 3.83Å; Y299-V302 WeakPolarHBondContact O-CG2 3.39Å; G300-V302 PolarHBondContact O-N 3.4Å; V302-Q306 HydrophobicContact CG1-CB 3.72Å; V302-A307 HydrophobicContact CG1-CB 4.08Å; V302-R323 HydrophobicContact CB-CB 4.18Å; V302-R323 WeakPolarHBondContact O-CB 3.5Å; V302-R323 VanDerWaalsContact O-CD 3.3Å; V302-R323 WeakPolarHBondContact O-CD 3.44Å | ||
| 303 | T | 76.6 | Confident | 73.6 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 28% | 0.282 | 30% | 0.295 | S | S | . | . | trans | -74.2 | 163.1 | 178.3 | 69.1 | 0 | 0 | 0 | 0 | 111.2 | H305 Q306 A307 E326 | T303-H305 PolarHBondContact O-N 2.95Å; T303-Q306 PolarHBondContact O-N 3.16Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.34Å; T303-Q306 VanDerWaalsContact OG1-CG 3.23Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.3Å; T303-Q306 PolarHBondContact OG1-N 2.76Å; T303-Q306 VanDerWaalsContact OG1-N 3.16Å; T303-Q306 PolarHBondContact OG1-OE1 2.85Å; T303-A307 WeakPolarHBondContact O-CB 3.37Å; T303-A307 PolarHBondContact O-N 3.01Å; T303-E326 VanDerWaalsContact CB-OE1 3.25Å; T303-E326 WeakPolarHBondContact CB-OE1 3.2Å | ||
| 304 | R | 74.3 | Confident | 73.7 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.4 | -46.5 | 173.4 | -174 | 179.6 | 168.2 | 177.5 | -5.7 | 111.4 | A307 E308 R323 E326 H344 | R304-A307 WeakPolarHBondContact O-CB 3.48Å; R304-A307 PolarHBondContact O-N 3.37Å; R304-E308 HydrophobicContact CG-CG 4.5Å; R304-E308 IonicContact CZ-OE1 3.65Å; R304-E308 IonicContact NE-OE1 3.03Å; R304-E308 PolarHBondContact NE-OE1 2.99Å; R304-E308 IonicContact NH2-OE1 3.55Å; R304-E308 PolarHBondContact NH2-OE1 2.64Å; R304-E308 WeakPolarHBondContact O-CG 3.31Å; R304-E308 PolarHBondContact O-N 3.28Å; R304-R323 VanDerWaalsContact CA-CZ 3.41Å; R304-R323 VanDerWaalsContact CB-NH2 3.26Å; R304-E326 WeakPolarHBondContact CB-OE2 3.43Å; R304-E326 PolarHBondContact N-OE2 2.76Å; R304-H344 PolarHBondContact NE-CD2 3.47Å; R304-H344 PolarHBondContact NE-NE2 2.93Å |
| 305 | H | 70.9 | Confident | 74.2 | Confident | 125 Ų | 125 | 55.8 Ų | 55.8 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | -177.2 | -177.8 | 61.2 | 0 | 0 | 0 | 111.4 | T303 A307 E308 V309 | T303-H305 PolarHBondContact O-N 2.95Å; H305-A307 VanDerWaalsContact C-N 3.3Å; H305-A307 PolarHBondContact O-N 2.78Å; H305-E308 PolarHBondContact O-N 3.07Å; H305-E308 VanDerWaalsContact O-N 3.13Å; H305-V309 WeakPolarHBondContact O-CB 3.39Å; H305-V309 VanDerWaalsContact O-CG2 3.31Å; H305-V309 WeakPolarHBondContact O-CG2 3.5Å; H305-V309 PolarHBondContact O-N 2.83Å |
| 306 | Q | 68.6 | Low | 74 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 176.2 | -73.5 | 168.3 | -15.1 | 0 | 0 | 112 | I284 V302 T303 V309 A310 | I284-Q306 HydrophobicContact CG2-CB 4.43Å; V302-Q306 HydrophobicContact CG1-CB 3.72Å; T303-Q306 PolarHBondContact O-N 3.16Å; T303-Q306 WeakPolarHBondContact OG1-CB 3.34Å; T303-Q306 VanDerWaalsContact OG1-CG 3.23Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.3Å; T303-Q306 PolarHBondContact OG1-N 2.76Å; T303-Q306 VanDerWaalsContact OG1-N 3.16Å; T303-Q306 PolarHBondContact OG1-OE1 2.85Å; Q306-V309 PolarHBondContact O-N 2.93Å; Q306-A310 WeakPolarHBondContact O-CB 3.34Å; Q306-A310 PolarHBondContact O-N 2.95Å |
| 307 | A | 77.1 | Confident | 74.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V302 T303 R304 H305 L311 L321 | V302-A307 HydrophobicContact CG1-CB 4.08Å; T303-A307 WeakPolarHBondContact O-CB 3.37Å; T303-A307 PolarHBondContact O-N 3.01Å; R304-A307 WeakPolarHBondContact O-CB 3.48Å; R304-A307 PolarHBondContact O-N 3.37Å; H305-A307 VanDerWaalsContact C-N 3.3Å; H305-A307 PolarHBondContact O-N 2.78Å; A307-L311 VanDerWaalsContact O-CB 3.28Å; A307-L311 WeakPolarHBondContact O-CB 3.3Å; A307-L311 WeakPolarHBondContact O-CD1 3.42Å; A307-L311 WeakPolarHBondContact O-CG 3.41Å; A307-L311 PolarHBondContact O-N 2.97Å; A307-L321 HydrophobicContact CB-CD1 3.74Å; A307-L321 HydrophobicContact CB-CD2 4.03Å; A307-L321 HydrophobicContact CB-CG 4.31Å |
| 308 | E | 75.6 | Confident | 73.7 | Confident | 41 Ų | 41 | 51.3 Ų | 51.3 | 19% | 0.192 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 176.9 | -74.9 | 174 | 142.9 | 0 | 0 | 111.6 | R304 H305 L311 N312 N342 H344 | R304-E308 HydrophobicContact CG-CG 4.5Å; R304-E308 IonicContact CZ-OE1 3.65Å; R304-E308 IonicContact NE-OE1 3.03Å; R304-E308 PolarHBondContact NE-OE1 2.99Å; R304-E308 IonicContact NH2-OE1 3.55Å; R304-E308 PolarHBondContact NH2-OE1 2.64Å; R304-E308 WeakPolarHBondContact O-CG 3.31Å; R304-E308 PolarHBondContact O-N 3.28Å; H305-E308 PolarHBondContact O-N 3.07Å; H305-E308 VanDerWaalsContact O-N 3.13Å; E308-L311 PolarHBondContact O-N 3.42Å; E308-N312 VanDerWaalsContact O-CB 3.28Å; E308-N312 WeakPolarHBondContact O-CB 3.24Å; E308-N312 PolarHBondContact O-N 2.82Å; E308-N312 PolarHBondContact O-ND2 3.48Å; E308-N342 HydrophobicContact CG-CB 4.46Å; E308-N342 PolarHBondContact O-ND2 2.92Å; E308-H344 VanDerWaalsContact CG-CE1 3.43Å; E308-H344 WeakPolarHBondContact CG-CE1 3.13Å; E308-H344 WeakPolarHBondContact CG-NE2 3.5Å; E308-H344 IonicContact OE1-CD2 2.76Å; E308-H344 IonicContact OE1-NE2 3.63Å; E308-H344 PolarHBondContact OE1-NE2 2.81Å |
| 309 | V | 71.8 | Confident | 73.8 | Confident | 33 Ų | 33 | 51.3 Ų | 51.3 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -51.9 | 178.8 | 168.6 | 0 | 0 | 0 | 0 | 110.3 | H305 Q306 L311 N312 Q313 | H305-V309 WeakPolarHBondContact O-CB 3.39Å; H305-V309 VanDerWaalsContact O-CG2 3.31Å; H305-V309 WeakPolarHBondContact O-CG2 3.5Å; H305-V309 PolarHBondContact O-N 2.83Å; Q306-V309 PolarHBondContact O-N 2.93Å; V309-L311 PolarHBondContact O-N 3.2Å; V309-N312 PolarHBondContact O-N 2.99Å; V309-Q313 HydrophobicContact CG1-CG 4.45Å; V309-Q313 WeakPolarHBondContact O-CB 3.5Å; V309-Q313 WeakPolarHBondContact O-CG 3.36Å; V309-Q313 PolarHBondContact O-N 3.27Å; V309-Q313 PolarHBondContact O-OE1 2.83Å |
| 310 | A | 76.3 | Confident | 74.2 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66 | -36.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I284 Q306 N312 R314 G315 L391 | I284-A310 HydrophobicContact CD1-CB 3.13Å; I284-A310 HydrophobicContact CG1-CB 3.48Å; I284-A310 VanDerWaalsContact CG1-CB 3.48Å; Q306-A310 WeakPolarHBondContact O-CB 3.34Å; Q306-A310 PolarHBondContact O-N 2.95Å; A310-N312 VanDerWaalsContact C-N 3.3Å; A310-R314 WeakPolarHBondContact O-CB 3.39Å; A310-R314 PolarHBondContact O-N 3.11Å; A310-G315 PolarHBondContact O-N 2.93Å; A310-L391 HydrophobicContact CB-CD2 3.82Å |
| 311 | L | 79.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.2 | -27 | 173.4 | -72.8 | 169.1 | 0 | 0 | 0 | 112.4 | A307 E308 V309 G315 D319 L321 K337 L391 | A307-L311 VanDerWaalsContact O-CB 3.28Å; A307-L311 WeakPolarHBondContact O-CB 3.3Å; A307-L311 WeakPolarHBondContact O-CD1 3.42Å; A307-L311 WeakPolarHBondContact O-CG 3.41Å; A307-L311 PolarHBondContact O-N 2.97Å; E308-L311 PolarHBondContact O-N 3.42Å; V309-L311 PolarHBondContact O-N 3.2Å; L311-G315 CarbonylContact O-C 3.56Å; L311-G315 WeakPolarHBondContact O-CA 3.42Å; L311-G315 PolarHBondContact O-N 3.43Å; L311-G315 VanDerWaalsContact O-N 3.13Å; L311-D319 HydrophobicContact CD2-CB 4.19Å; L311-D319 WeakPolarHBondContact CD2-O 3.5Å; L311-L321 HydrophobicContact CD1-CD2 4.16Å; L311-L321 HydrophobicContact CD1-CG 4.42Å; L311-L321 HydrophobicContact CD2-CD2 4.17Å; L311-L321 HydrophobicContact CG-CD2 3.86Å; L311-K337 HydrophobicContact CB-CB 4.3Å; L311-K337 HydrophobicContact CD2-CB 4.1Å; L311-K337 WeakPolarHBondContact O-CD 3.47Å; L311-K337 WeakPolarHBondContact O-CE 3.39Å; L311-L391 HydrophobicContact CD2-CB 4.4Å; L311-L391 HydrophobicContact CD2-CD1 4.23Å; L311-L391 HydrophobicContact CD2-CD2 4.22Å |
| 312 | N | 74.9 | Confident | 75.5 | Confident | 93 Ų | 93 | 41.7 Ų | 41.7 | 50% | 0.497 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -83.4 | -34.4 | 176.9 | -75.1 | -28.6 | 0 | 0 | 0 | 113 | E308 V309 A310 K337 N342 | E308-N312 VanDerWaalsContact O-CB 3.28Å; E308-N312 WeakPolarHBondContact O-CB 3.24Å; E308-N312 PolarHBondContact O-N 2.82Å; E308-N312 PolarHBondContact O-ND2 3.48Å; V309-N312 PolarHBondContact O-N 2.99Å; A310-N312 VanDerWaalsContact C-N 3.3Å; N312-K337 PolarHBondContact OD1-NZ 2.87Å; N312-N342 VanDerWaalsContact CG-ND2 3.32Å; N312-N342 PolarHBondContact ND2-ND2 2.84Å; N312-N342 PolarHBondContact OD1-ND2 2.76Å; N312-N342 PolarHBondContact OD1-OD1 3.33Å |
| 313 | Q | 65.2 | Low | 76.2 | Confident | 88 Ų | 88 | 41.6 Ų | 41.6 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -78.2 | -44.2 | 177.8 | -75.1 | 164.6 | -37.3 | 0 | 0 | 111.9 | C281 D282 V309 | C281-Q313 PolarHBondContact O-NE2 2.82Å; D282-Q313 PolarHBondContact OD1-NE2 3.17Å; D282-Q313 PolarHBondContact OD1-OE1 3.07Å; D282-Q313 PolarHBondContact OD2-NE2 2.95Å; D282-Q313 VanDerWaalsContact OD2-NE2 3.13Å; V309-Q313 HydrophobicContact CG1-CG 4.45Å; V309-Q313 WeakPolarHBondContact O-CB 3.5Å; V309-Q313 WeakPolarHBondContact O-CG 3.36Å; V309-Q313 PolarHBondContact O-N 3.27Å; V309-Q313 PolarHBondContact O-OE1 2.83Å |
| 314 | R | 67.1 | Low | 76.3 | Confident | 62 Ų | 62 | 41.5 Ų | 41.5 | 23% | 0.234 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -18.9 | -168.7 | -50.2 | -175.6 | -53 | -152.5 | 11.2 | 113.8 | D282 I284 A310 L391 S394 | D282-R314 PolarHBondContact O-NH1 2.84Å; I284-R314 PolarHBondContact O-NH1 3.39Å; I284-R314 PolarHBondContact O-NH2 3.01Å; A310-R314 WeakPolarHBondContact O-CB 3.39Å; A310-R314 PolarHBondContact O-N 3.11Å; R314-L391 HydrophobicContact CB-CD1 4.16Å; R314-S394 VanDerWaalsContact CD-OG 3.23Å; R314-S394 WeakPolarHBondContact CD-OG 3.37Å; R314-S394 PolarHBondContact NH1-OG 2.84Å |
| 315 | G | 72.5 | Confident | 76.2 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 12% | 0.124 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -83.5 | 137.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A310 L311 D319 | A310-G315 PolarHBondContact O-N 2.93Å; L311-G315 CarbonylContact O-C 3.56Å; L311-G315 WeakPolarHBondContact O-CA 3.42Å; L311-G315 PolarHBondContact O-N 3.43Å; L311-G315 VanDerWaalsContact O-N 3.13Å; G315-D319 WeakPolarHBondContact CA-OD2 3.36Å |
| 316 | T | 71.1 | Confident | 75.8 | Confident | 74 Ų | 74 | 36.3 Ų | 36.3 | 45% | 0.454 | 18% | 0.184 | S | C | . | . | P | Polyproline II helix | trans | -97.5 | 168.1 | 165.3 | 48.5 | 0 | 0 | 0 | 0 | 111.5 | G318 D319 K337 K389 | T316-G318 PolarHBondContact O-N 3.33Å; T316-D319 PolarHBondContact N-OD1 3.15Å; T316-D319 PolarHBondContact N-OD2 2.9Å; T316-D319 WeakPolarHBondContact O-CB 3.45Å; T316-D319 PolarHBondContact O-N 3.18Å; T316-D319 PolarHBondContact OG1-OD1 3.47Å; T316-D319 PolarHBondContact OG1-OD2 2.6Å; T316-K337 VanDerWaalsContact O-CB 3.24Å; T316-K337 WeakPolarHBondContact O-CB 3.36Å; T316-K337 WeakPolarHBondContact O-CG 3.34Å; T316-K389 WeakPolarHBondContact OG1-CE 3.19Å; T316-K389 PolarHBondContact OG1-NZ 3.05Å |
| 317 | E | 74.3 | Confident | 75.2 | Confident | 83 Ų | 83 | 37.4 Ų | 37.4 | 39% | 0.388 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 131.3 | 177.3 | 176.7 | 166.5 | 78.3 | 0 | 0 | 111.6 | D319 Q339 | E317-D319 VanDerWaalsContact C-N 3.34Å; E317-Q339 VanDerWaalsContact CD-NE2 3.27Å; E317-Q339 PolarHBondContact OE1-NE2 3.11Å; E317-Q339 VanDerWaalsContact OE2-CB 3.29Å; E317-Q339 WeakPolarHBondContact OE2-CB 2.82Å; E317-Q339 WeakPolarHBondContact OE2-CG 3.15Å; E317-Q339 PolarHBondContact OE2-N 2.84Å; E317-Q339 PolarHBondContact OE2-NE2 2.75Å; E317-Q339 VanDerWaalsContact OE2-NE2 3.14Å |
| 318 | G | 72.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -6.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T316 K337 I388 K389 | T316-G318 PolarHBondContact O-N 3.33Å; G318-K337 PolarHBondContact N-O 2.62Å; G318-I388 PolarHBondContact O-N 3.13Å; G318-K389 PolarHBondContact O-N 2.84Å |
| 319 | D | 84.4 | Confident | 73.9 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 133.9 | 175.9 | -67.2 | 29.6 | 0 | 0 | 0 | 110.4 | L311 G315 T316 E317 L336 K337 K389 | L311-D319 HydrophobicContact CD2-CB 4.19Å; L311-D319 WeakPolarHBondContact CD2-O 3.5Å; G315-D319 WeakPolarHBondContact CA-OD2 3.36Å; T316-D319 PolarHBondContact N-OD1 3.15Å; T316-D319 PolarHBondContact N-OD2 2.9Å; T316-D319 WeakPolarHBondContact O-CB 3.45Å; T316-D319 PolarHBondContact O-N 3.18Å; T316-D319 PolarHBondContact OG1-OD1 3.47Å; T316-D319 PolarHBondContact OG1-OD2 2.6Å; E317-D319 VanDerWaalsContact C-N 3.34Å; D319-L336 CarbonylContact O-C 3.52Å; D319-L336 WeakPolarHBondContact O-CA 3.31Å; D319-L336 WeakPolarHBondContact O-CD1 2.87Å; D319-K337 HydrophobicContact CB-CB 4.16Å; D319-K337 WeakPolarHBondContact O-CB 3.22Å; D319-K337 PolarHBondContact O-N 3.05Å; D319-K389 CarbonylContact C-O 3.54Å; D319-K389 VanDerWaalsContact CA-O 3.25Å; D319-K389 WeakPolarHBondContact CA-O 3.19Å; D319-K389 HydrophobicContact CB-CG 4.48Å; D319-K389 WeakPolarHBondContact OD1-CE 3.46Å; D319-K389 VanDerWaalsContact OD1-CG 3.25Å; D319-K389 WeakPolarHBondContact OD1-CG 3.38Å; D319-K389 IonicContact OD1-NZ 3.73Å; D319-K389 WeakPolarHBondContact OD2-CE 3.47Å; D319-K389 IonicContact OD2-NZ 3.68Å |
| 320 | F | 88.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 157.4 | -179.4 | 73.6 | -81 | 0 | 0 | 0 | 112.5 | W297 I322 I334 S335 L336 V368 L387 K389 A390 L391 | W297-F320 HydrophobicContact CB-CE2 3.74Å; W297-F320 HydrophobicContact CB-CZ 4.12Å; W297-F320 HydrophobicContact CG-CE2 4.39Å; F320-I322 HydrophobicContact CD2-CD1 4.46Å; F320-I322 HydrophobicContact CD2-CG1 4.27Å; F320-I322 HydrophobicContact CE2-CD1 4.11Å; F320-I322 HydrophobicContact CE2-CG1 4.37Å; F320-I334 HydrophobicContact CB-CG2 4.38Å; F320-I334 HydrophobicContact CD2-CG2 4.24Å; F320-S335 CarbonylContact C-O 3.52Å; F320-S335 WeakPolarHBondContact CA-O 3.25Å; F320-S335 WeakPolarHBondContact CB-O 3.41Å; F320-L336 HydrophobicContact CB-CB 4.47Å; F320-L336 HydrophobicContact CB-CD1 3.92Å; F320-V368 HydrophobicContact CE2-CG1 3.85Å; F320-V368 HydrophobicContact CE2-CG2 4.19Å; F320-V368 HydrophobicContact CZ-CG1 3.51Å; F320-L387 HydrophobicContact CB-CD2 3.77Å; F320-L387 HydrophobicContact CD1-CB 3.61Å; F320-L387 HydrophobicContact CD1-CD2 4.14Å; F320-L387 HydrophobicContact CD1-CG 4.36Å; F320-L387 HydrophobicContact CD2-CD1 4.3Å; F320-L387 HydrophobicContact CD2-CD2 4.19Å; F320-L387 HydrophobicContact CE1-CB 3.68Å; F320-L387 HydrophobicContact CE2-CD1 4.33Å; F320-L387 HydrophobicContact CG-CB 4.07Å; F320-L387 HydrophobicContact CG-CD2 3.77Å; F320-L387 HydrophobicContact CG-CG 4.33Å; F320-L387 HydrophobicContact CZ-CB 4.17Å; F320-K389 WeakPolarHBondContact CD1-O 2.91Å; F320-K389 VanDerWaalsContact CE1-C 3.44Å; F320-K389 WeakPolarHBondContact CE1-O 3.12Å; F320-K389 PolarHBondContact N-O 3.3Å; F320-A390 CarbonylContact O-C 3.46Å; F320-A390 WeakPolarHBondContact O-CA 3.28Å; F320-L391 PolarHBondContact O-N 3.35Å |
| 321 | L | 86.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 153.1 | 169.7 | 68.3 | 88.9 | 0 | 0 | 0 | 109.6 | I284 Y299 A307 L311 R323 S335 L391 | I284-L321 HydrophobicContact CD1-CD2 4.14Å; Y299-L321 HydrophobicContact CD2-CB 3.66Å; Y299-L321 HydrophobicContact CE2-CB 3.94Å; Y299-L321 HydrophobicContact CG-CB 4.25Å; A307-L321 HydrophobicContact CB-CD1 3.74Å; A307-L321 HydrophobicContact CB-CD2 4.03Å; A307-L321 HydrophobicContact CB-CG 4.31Å; L311-L321 HydrophobicContact CD1-CD2 4.16Å; L311-L321 HydrophobicContact CD1-CG 4.42Å; L311-L321 HydrophobicContact CD2-CD2 4.17Å; L311-L321 HydrophobicContact CG-CD2 3.86Å; L321-R323 HydrophobicContact CD1-CB 4.2Å; L321-S335 PolarHBondContact N-O 3.33Å; L321-S335 PolarHBondContact O-N 3.01Å; L321-L391 HydrophobicContact CB-CB 4.33Å; L321-L391 HydrophobicContact CD2-CD2 3.71Å |
| 322 | I | 87.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.9 | -179.9 | -60.7 | 171.6 | 0 | 0 | 0 | 107.7 | W297 Y298 Y299 F320 F332 S333 I334 M364 V368 | W297-I322 HydrophobicContact CD2-CD1 3.96Å; W297-I322 HydrophobicContact CE3-CB 3.98Å; W297-I322 HydrophobicContact CE3-CD1 3.24Å; W297-I322 HydrophobicContact CE3-CG1 4.01Å; W297-I322 HydrophobicContact CZ3-CB 4.39Å; W297-I322 HydrophobicContact CZ3-CD1 3.65Å; W297-I322 HydrophobicContact CZ3-CG2 4.49Å; W297-I322 PolarHBondContact O-N 3.47Å; Y298-I322 HydrophobicContact CD2-CB 4.5Å; Y298-I322 HydrophobicContact CD2-CG2 4.2Å; Y299-I322 PolarHBondContact N-O 3.33Å; F320-I322 HydrophobicContact CD2-CD1 4.46Å; F320-I322 HydrophobicContact CD2-CG1 4.27Å; F320-I322 HydrophobicContact CE2-CD1 4.11Å; F320-I322 HydrophobicContact CE2-CG1 4.37Å; I322-F332 HydrophobicContact CG2-CB 4.34Å; I322-S333 WeakPolarHBondContact CA-O 3.34Å; I322-I334 HydrophobicContact CG1-CG1 4.15Å; I322-I334 HydrophobicContact CG1-CG2 4.36Å; I322-M364 HydrophobicContact CD1-CE 3.28Å; I322-M364 HydrophobicContact CD1-CG 4.34Å; I322-M364 HydrophobicContact CG1-CE 3.97Å; I322-M364 HydrophobicContact CG2-CE 3.88Å; I322-V368 HydrophobicContact CD1-CG2 3.42Å; I322-V368 VanDerWaalsContact CD1-CG2 3.42Å |
| 323 | R | 85.4 | Confident | 75 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 162.1 | -178.9 | 68.8 | -166.5 | -177.4 | 81 | -0.5 | 110.6 | G300 V302 R304 L321 E326 F332 S333 S335 | G300-R323 CarbonylContact O-C 3.49Å; G300-R323 WeakPolarHBondContact O-CA 3.4Å; V302-R323 HydrophobicContact CB-CB 4.18Å; V302-R323 WeakPolarHBondContact O-CB 3.5Å; V302-R323 VanDerWaalsContact O-CD 3.3Å; V302-R323 WeakPolarHBondContact O-CD 3.44Å; R304-R323 VanDerWaalsContact CA-CZ 3.41Å; R304-R323 VanDerWaalsContact CB-NH2 3.26Å; L321-R323 HydrophobicContact CD1-CB 4.2Å; R323-E326 IonicContact CZ-OE2 3.83Å; R323-E326 IonicContact NH1-OE2 2.66Å; R323-E326 PolarHBondContact NH1-OE2 3.39Å; R323-E326 IonicContact NH2-OE2 2.56Å; R323-F332 CarbonylContact O-C 3.5Å; R323-F332 WeakPolarHBondContact O-CA 3.08Å; R323-S333 PolarHBondContact N-O 3.17Å; R323-S333 PolarHBondContact O-N 3.36Å; R323-S335 PolarHBondContact NE-OG 3.31Å |
| 324 | D | 79.3 | Confident | 76.1 | Confident | 44 Ų | 44 | 39.6 Ų | 39.6 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 145.4 | 172.7 | -60.7 | -15.7 | 0 | 0 | 0 | 109.7 | Y298 G300 E326 F332 | Y298-D324 WeakPolarHBondContact CE2-OD1 3.37Å; Y298-D324 PolarHBondContact OH-OD1 3.24Å; Y298-D324 PolarHBondContact OH-OD2 2.95Å; G300-D324 PolarHBondContact O-N 3.22Å; D324-E326 PolarHBondContact O-N 2.79Å; D324-F332 WeakPolarHBondContact OD1-CE1 3.42Å |
| 325 | S | 72.7 | Confident | 76.9 | Confident | 15 Ų | 15 | 36.7 Ų | 36.7 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | trans | -76.4 | 124.9 | 179.4 | -168 | 0 | 0 | 0 | 0 | 110.9 | S327 D331 | S325-S327 VanDerWaalsContact C-N 3.28Å; S325-S327 PolarHBondContact O-N 3.35Å; S325-D331 WeakPolarHBondContact CB-O 3.39Å; S325-D331 PolarHBondContact N-O 3.16Å | ||
| 326 | E | 62.7 | Low | 77.6 | Confident | 113 Ų | 113 | 36.1 Ų | 36.1 | 53% | 0.528 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -29.6 | 177.9 | -71 | 164.4 | 103.1 | 0 | 0 | 112.8 | T303 R304 R323 D324 | T303-E326 VanDerWaalsContact CB-OE1 3.25Å; T303-E326 WeakPolarHBondContact CB-OE1 3.2Å; R304-E326 WeakPolarHBondContact CB-OE2 3.43Å; R304-E326 PolarHBondContact N-OE2 2.76Å; R323-E326 IonicContact CZ-OE2 3.83Å; R323-E326 IonicContact NH1-OE2 2.66Å; R323-E326 PolarHBondContact NH1-OE2 3.39Å; R323-E326 IonicContact NH2-OE2 2.56Å; D324-E326 PolarHBondContact O-N 2.79Å |
| 327 | S | 55.7 | Low | 78.1 | Confident | 108 Ų | 108 | 34.1 Ų | 34.1 | 76% | 0.755 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -12.5 | -175.6 | -43.7 | 0 | 0 | 0 | 0 | 113.6 | S325 | S325-S327 VanDerWaalsContact C-N 3.28Å; S325-S327 PolarHBondContact O-N 3.35Å |
| 328 | S | 64.1 | Low | 78.2 | Confident | 27 Ų | 27 | 30.5 Ų | 30.5 | 19% | 0.189 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -144.4 | 106.8 | -169.7 | -83.4 | 0 | 0 | 0 | 0 | 109.8 | N330 D331 K346 | S328-N330 PolarHBondContact O-N 2.79Å; S328-D331 VanDerWaalsContact CB-CG 3.5Å; S328-D331 WeakPolarHBondContact CB-OD2 3.28Å; S328-D331 PolarHBondContact O-N 2.73Å; S328-D331 VanDerWaalsContact O-N 3.09Å; S328-D331 PolarHBondContact OG-OD2 2.84Å; S328-K346 PolarHBondContact OG-NZ 2.85Å |
| 329 | P | 61.4 | Low | 77.6 | Confident | 129 Ų | 129 | 37.4 Ų | 37.4 | 84% | 0.838 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 12.5 | -171.3 | 22.1 | -31.1 | 0 | 0 | 0 | 117.2 | ||
| 330 | N | 71.7 | Confident | 76.6 | Confident | 105 Ų | 105 | 42.9 Ų | 42.9 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -141.3 | 0.7 | 173.1 | -70.7 | -65.1 | 0 | 0 | 0 | 113.2 | S328 L349 | S328-N330 PolarHBondContact O-N 2.79Å; N330-L349 WeakPolarHBondContact O-CB 3.46Å |
| 331 | D | 82.4 | Confident | 75.6 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | trans | -94.2 | 160.6 | 179.1 | -69.2 | -21.7 | 0 | 0 | 0 | 109.8 | S325 S328 K346 V347 Q348 L349 | S325-D331 WeakPolarHBondContact CB-O 3.39Å; S325-D331 PolarHBondContact N-O 3.16Å; S328-D331 VanDerWaalsContact CB-CG 3.5Å; S328-D331 WeakPolarHBondContact CB-OD2 3.28Å; S328-D331 PolarHBondContact O-N 2.73Å; S328-D331 VanDerWaalsContact O-N 3.09Å; S328-D331 PolarHBondContact OG-OD2 2.84Å; D331-K346 WeakPolarHBondContact OD2-CE 3.31Å; D331-K346 IonicContact OD2-NZ 3.23Å; D331-K346 PolarHBondContact OD2-NZ 3.22Å; D331-V347 WeakPolarHBondContact CB-O 3.45Å; D331-Q348 WeakPolarHBondContact OD1-CA 3.33Å; D331-L349 PolarHBondContact OD1-N 3.09Å; D331-L349 VanDerWaalsContact OD1-N 3.13Å | ||
| 332 | F | 86.1 | Confident | 75.2 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.053 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 163.3 | 176.4 | -59.6 | -83.7 | 0 | 0 | 0 | 110.4 | F292 Y298 I322 R323 D324 V347 Y354 | F292-F332 HydrophobicContact CD2-CE1 4.12Å; F292-F332 HydrophobicContact CD2-CZ 4.3Å; F292-F332 HydrophobicContact CE2-CD1 4.36Å; F292-F332 AromaticContact CE2-CE1 3.82Å; F292-F332 HydrophobicContact CE2-CE1 3.82Å; F292-F332 HydrophobicContact CE2-CE2 4Å; F292-F332 AromaticContact CE2-CZ 3.62Å; F292-F332 HydrophobicContact CE2-CZ 3.62Å; Y298-F332 HydrophobicContact CE2-CD1 4.23Å; Y298-F332 HydrophobicContact CE2-CE1 4.1Å; I322-F332 HydrophobicContact CG2-CB 4.34Å; R323-F332 CarbonylContact O-C 3.5Å; R323-F332 WeakPolarHBondContact O-CA 3.08Å; D324-F332 WeakPolarHBondContact OD1-CE1 3.42Å; F332-V347 HydrophobicContact CB-CB 4.13Å; F332-V347 PolarHBondContact N-O 3.23Å; F332-V347 PolarHBondContact O-N 2.66Å; F332-V347 VanDerWaalsContact O-O 3.14Å; F332-Y354 HydrophobicContact CD2-CD1 4.39Å; F332-Y354 HydrophobicContact CD2-CE1 4.05Å; F332-Y354 AromaticContact CE2-CE1 3.9Å; F332-Y354 HydrophobicContact CE2-CE1 3.9Å |
| 333 | S | 84.3 | Confident | 74.8 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 125.9 | 176.4 | -68 | 0 | 0 | 0 | 0 | 109.7 | I322 R323 F345 | I322-S333 WeakPolarHBondContact CA-O 3.34Å; R323-S333 PolarHBondContact N-O 3.17Å; R323-S333 PolarHBondContact O-N 3.36Å; S333-F345 CarbonylContact C-O 3.52Å; S333-F345 WeakPolarHBondContact CA-O 3.33Å |
| 334 | I | 88.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.3 | 174.5 | -49.5 | -179.4 | 0 | 0 | 0 | 107.3 | F320 I322 H344 F345 V347 I356 M364 L367 I376 L387 | F320-I334 HydrophobicContact CB-CG2 4.38Å; F320-I334 HydrophobicContact CD2-CG2 4.24Å; I322-I334 HydrophobicContact CG1-CG1 4.15Å; I322-I334 HydrophobicContact CG1-CG2 4.36Å; I334-H344 CarbonylContact O-C 3.52Å; I334-H344 VanDerWaalsContact O-CA 3.3Å; I334-H344 WeakPolarHBondContact O-CA 3.37Å; I334-F345 HydrophobicContact CB-CB 4.39Å; I334-F345 PolarHBondContact N-O 2.94Å; I334-F345 PolarHBondContact O-N 2.85Å; I334-V347 HydrophobicContact CD1-CG2 3.69Å; I334-V347 HydrophobicContact CG1-CG2 3.62Å; I334-I356 HydrophobicContact CD1-CD1 4.01Å; I334-M364 HydrophobicContact CD1-CE 3.79Å; I334-M364 HydrophobicContact CG1-CE 3.9Å; I334-L367 HydrophobicContact CD1-CD2 3.46Å; I334-L367 VanDerWaalsContact CD1-CD2 3.46Å; I334-I376 HydrophobicContact CD1-CD1 4.32Å; I334-L387 HydrophobicContact CD1-CD1 4.41Å; I334-L387 HydrophobicContact CG2-CD1 4.43Å; I334-L387 HydrophobicContact CG2-CD2 3.9Å |
| 335 | S | 83.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 124.2 | 174.2 | -51.5 | 0 | 0 | 0 | 0 | 107.9 | F320 L321 R323 K343 H344 | F320-S335 CarbonylContact C-O 3.52Å; F320-S335 WeakPolarHBondContact CA-O 3.25Å; F320-S335 WeakPolarHBondContact CB-O 3.41Å; L321-S335 PolarHBondContact N-O 3.33Å; L321-S335 PolarHBondContact O-N 3.01Å; R323-S335 PolarHBondContact NE-OG 3.31Å; S335-K343 CarbonylContact C-O 3.53Å; S335-K343 WeakPolarHBondContact CA-O 2.97Å; S335-H344 WeakPolarHBondContact CB-ND1 3.47Å; S335-H344 PolarHBondContact OG-ND1 2.9Å |
| 336 | L | 86.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 132.2 | -173.6 | 174.4 | 65.7 | 0 | 0 | 0 | 110 | D319 F320 N342 K343 F345 I376 L385 L387 | D319-L336 CarbonylContact O-C 3.52Å; D319-L336 WeakPolarHBondContact O-CA 3.31Å; D319-L336 WeakPolarHBondContact O-CD1 2.87Å; F320-L336 HydrophobicContact CB-CB 4.47Å; F320-L336 HydrophobicContact CB-CD1 3.92Å; L336-N342 CarbonylContact O-C 3.59Å; L336-N342 VanDerWaalsContact O-CA 3.32Å; L336-N342 WeakPolarHBondContact O-CA 3.19Å; L336-K343 PolarHBondContact N-O 3.06Å; L336-K343 PolarHBondContact O-N 2.98Å; L336-F345 HydrophobicContact CB-CE2 4.17Å; L336-F345 HydrophobicContact CD2-CE2 4Å; L336-I376 HydrophobicContact CD2-CG2 3.6Å; L336-L385 HydrophobicContact CD2-CB 3.82Å; L336-L385 HydrophobicContact CD2-CD1 4.3Å; L336-L387 HydrophobicContact CD1-CD2 4.01Å; L336-L387 HydrophobicContact CD2-CD2 4.25Å |
| 337 | K | 82.2 | Confident | 76.5 | Confident | 32 Ų | 32 | 51 Ų | 51 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | trans | -77.3 | 122.9 | 172.5 | -178.6 | 52.9 | 171.2 | 159.9 | 0 | 110 | L311 N312 T316 G318 D319 N342 | L311-K337 HydrophobicContact CB-CB 4.3Å; L311-K337 HydrophobicContact CD2-CB 4.1Å; L311-K337 WeakPolarHBondContact O-CD 3.47Å; L311-K337 WeakPolarHBondContact O-CE 3.39Å; N312-K337 PolarHBondContact OD1-NZ 2.87Å; T316-K337 VanDerWaalsContact O-CB 3.24Å; T316-K337 WeakPolarHBondContact O-CB 3.36Å; T316-K337 WeakPolarHBondContact O-CG 3.34Å; G318-K337 PolarHBondContact N-O 2.62Å; D319-K337 HydrophobicContact CB-CB 4.16Å; D319-K337 WeakPolarHBondContact O-CB 3.22Å; D319-K337 PolarHBondContact O-N 3.05Å; K337-N342 WeakPolarHBondContact CD-OD1 3.47Å; K337-N342 PolarHBondContact NZ-OD1 2.56Å | ||
| 338 | A | 76.4 | Confident | 77.8 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | trans | -119.3 | 160.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S340 K341 L385 | A338-S340 VanDerWaalsContact C-N 3.28Å; A338-S340 PolarHBondContact O-N 2.77Å; A338-K341 WeakPolarHBondContact CB-O 3.46Å; A338-L385 HydrophobicContact CB-CD1 3.78Å; A338-L385 HydrophobicContact CB-CD2 3.87Å | ||
| 339 | Q | 60.5 | Low | 78.6 | Confident | 146 Ų | 146 | 49.6 Ų | 49.6 | 68% | 0.682 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -48.5 | -43.3 | 178.2 | -95 | 163.4 | 41.3 | 0 | 0 | 114.4 | E317 | E317-Q339 VanDerWaalsContact CD-NE2 3.27Å; E317-Q339 PolarHBondContact OE1-NE2 3.11Å; E317-Q339 VanDerWaalsContact OE2-CB 3.29Å; E317-Q339 WeakPolarHBondContact OE2-CB 2.82Å; E317-Q339 WeakPolarHBondContact OE2-CG 3.15Å; E317-Q339 PolarHBondContact OE2-N 2.84Å; E317-Q339 PolarHBondContact OE2-NE2 2.75Å; E317-Q339 VanDerWaalsContact OE2-NE2 3.14Å |
| 340 | S | 61.4 | Low | 79.6 | Confident | 120 Ų | 120 | 49.1 Ų | 49.1 | 84% | 0.839 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -97.4 | -62.3 | -177 | 175.2 | 0 | 0 | 0 | 0 | 112.9 | A338 | A338-S340 VanDerWaalsContact C-N 3.28Å; A338-S340 PolarHBondContact O-N 2.77Å |
| 341 | K | 69.2 | Low | 79.9 | Confident | 102 Ų | 102 | 53 Ų | 53 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -138.5 | 134.6 | -175.3 | -175.4 | 172.3 | -178.2 | 171.1 | 0 | 110.5 | S35 A338 K343 | S35-K341 PolarHBondContact O-NZ 3.37Å; A338-K341 WeakPolarHBondContact CB-O 3.46Å; K341-K343 PolarHBondContact O-N 3.17Å |
| 342 | N | 77.6 | Confident | 79.8 | Confident | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | trans | -58.7 | 136.3 | 177.1 | -60.2 | -9.3 | 0 | 0 | 0 | 110.1 | E308 N312 L336 K337 | E308-N342 HydrophobicContact CG-CB 4.46Å; E308-N342 PolarHBondContact O-ND2 2.92Å; N312-N342 VanDerWaalsContact CG-ND2 3.32Å; N312-N342 PolarHBondContact ND2-ND2 2.84Å; N312-N342 PolarHBondContact OD1-ND2 2.76Å; N312-N342 PolarHBondContact OD1-OD1 3.33Å; L336-N342 CarbonylContact O-C 3.59Å; L336-N342 VanDerWaalsContact O-CA 3.32Å; L336-N342 WeakPolarHBondContact O-CA 3.19Å; K337-N342 WeakPolarHBondContact CD-OD1 3.47Å; K337-N342 PolarHBondContact NZ-OD1 2.56Å | ||
| 343 | K | 78.1 | Confident | 79.7 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.3 | -178.5 | -67.3 | -73.8 | -176.4 | 171.8 | 0 | 109.1 | S335 L336 K341 F345 L385 | S335-K343 CarbonylContact C-O 3.53Å; S335-K343 WeakPolarHBondContact CA-O 2.97Å; L336-K343 PolarHBondContact N-O 3.06Å; L336-K343 PolarHBondContact O-N 2.98Å; K341-K343 PolarHBondContact O-N 3.17Å; K343-F345 HydrophobicContact CB-CE2 3.65Å; K343-F345 HydrophobicContact CB-CZ 3.75Å; K343-F345 HydrophobicContact CG-CZ 4.41Å; K343-L385 HydrophobicContact CG-CD1 3.95Å |
| 344 | H | 83.3 | Confident | 79.7 | Confident | 47 Ų | 47 | 60 Ų | 60 | 22% | 0.218 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.2 | 175.7 | -56.2 | -83.8 | 0 | 0 | 0 | 109.3 | R304 E308 I334 S335 | R304-H344 PolarHBondContact NE-CD2 3.47Å; R304-H344 PolarHBondContact NE-NE2 2.93Å; E308-H344 VanDerWaalsContact CG-CE1 3.43Å; E308-H344 WeakPolarHBondContact CG-CE1 3.13Å; E308-H344 WeakPolarHBondContact CG-NE2 3.5Å; E308-H344 IonicContact OE1-CD2 2.76Å; E308-H344 IonicContact OE1-NE2 3.63Å; E308-H344 PolarHBondContact OE1-NE2 2.81Å; I334-H344 CarbonylContact O-C 3.52Å; I334-H344 VanDerWaalsContact O-CA 3.3Å; I334-H344 WeakPolarHBondContact O-CA 3.37Å; S335-H344 WeakPolarHBondContact CB-ND1 3.47Å; S335-H344 PolarHBondContact OG-ND1 2.9Å |
| 345 | F | 83.7 | Confident | 79.3 | Confident | 35 Ų | 35 | 60.7 Ų | 60.7 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.2 | 179 | -54.7 | -84.7 | 0 | 0 | 0 | 109.3 | S333 I334 L336 K343 I356 I376 F377 | S333-F345 CarbonylContact C-O 3.52Å; S333-F345 WeakPolarHBondContact CA-O 3.33Å; I334-F345 HydrophobicContact CB-CB 4.39Å; I334-F345 PolarHBondContact N-O 2.94Å; I334-F345 PolarHBondContact O-N 2.85Å; L336-F345 HydrophobicContact CB-CE2 4.17Å; L336-F345 HydrophobicContact CD2-CE2 4Å; K343-F345 HydrophobicContact CB-CE2 3.65Å; K343-F345 HydrophobicContact CB-CZ 3.75Å; K343-F345 HydrophobicContact CG-CZ 4.41Å; F345-I356 HydrophobicContact CB-CD1 3.68Å; F345-I356 HydrophobicContact CB-CG1 4.37Å; F345-I356 HydrophobicContact CG-CD1 4.34Å; F345-I376 HydrophobicContact CB-CD1 4.42Å; F345-I376 HydrophobicContact CD1-CD1 4.49Å; F345-I376 HydrophobicContact CD1-CG1 4.3Å; F345-I376 HydrophobicContact CD2-CD1 3.68Å; F345-I376 HydrophobicContact CD2-CG1 4.19Å; F345-I376 HydrophobicContact CE1-CG1 4.3Å; F345-I376 HydrophobicContact CE2-CD1 4.02Å; F345-I376 HydrophobicContact CE2-CG1 4.19Å; F345-I376 HydrophobicContact CE2-CG2 3.88Å; F345-I376 HydrophobicContact CG-CD1 3.94Å; F345-I376 HydrophobicContact CG-CG1 4.25Å; F345-I376 HydrophobicContact CZ-CG1 4.25Å; F345-I376 HydrophobicContact CZ-CG2 3.96Å; F345-F377 HydrophobicContact CE1-CB 4.04Å; F345-F377 HydrophobicContact CE1-CD2 4.43Å; F345-F377 HydrophobicContact CZ-CB 3.74Å; F345-F377 HydrophobicContact CZ-CG 4.44Å |
| 346 | K | 82.1 | Confident | 79.3 | Confident | 88 Ų | 88 | 61.1 Ų | 61.1 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130 | 174.9 | -172.2 | 172.7 | -175.7 | 171.4 | 0 | 109.4 | S328 D331 Q348 | S328-K346 PolarHBondContact OG-NZ 2.85Å; D331-K346 WeakPolarHBondContact OD2-CE 3.31Å; D331-K346 IonicContact OD2-NZ 3.23Å; D331-K346 PolarHBondContact OD2-NZ 3.22Å; K346-Q348 HydrophobicContact CD-CG 4.43Å; K346-Q348 HydrophobicContact CG-CG 4.35Å |
| 347 | V | 86.3 | Confident | 79 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 112 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 107.3 | D331 F332 I334 Y354 C355 I356 M364 L367 | D331-V347 WeakPolarHBondContact CB-O 3.45Å; F332-V347 HydrophobicContact CB-CB 4.13Å; F332-V347 PolarHBondContact N-O 3.23Å; F332-V347 PolarHBondContact O-N 2.66Å; F332-V347 VanDerWaalsContact O-O 3.14Å; I334-V347 HydrophobicContact CD1-CG2 3.69Å; I334-V347 HydrophobicContact CG1-CG2 3.62Å; V347-Y354 HydrophobicContact CG1-CD1 4.11Å; V347-C355 CarbonylContact C-O 3.46Å; V347-C355 WeakPolarHBondContact CA-O 3.49Å; V347-I356 HydrophobicContact CG2-CB 4.31Å; V347-I356 HydrophobicContact CG2-CD1 4.2Å; V347-M364 HydrophobicContact CG1-SD 4.16Å; V347-M364 HydrophobicContact CG2-CE 4.23Å; V347-L367 HydrophobicContact CG1-CD1 3.87Å; V347-L367 HydrophobicContact CG2-CD1 4.26Å |
| 348 | Q | 84.8 | Confident | 78.6 | Confident | 68 Ų | 68 | 72.8 Ų | 72.8 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133.6 | 179.6 | -66.3 | 178.6 | -14.5 | 0 | 0 | 109.9 | D331 K346 K350 C355 | D331-Q348 WeakPolarHBondContact OD1-CA 3.33Å; K346-Q348 HydrophobicContact CD-CG 4.43Å; K346-Q348 HydrophobicContact CG-CG 4.35Å; Q348-K350 HydrophobicContact CB-CG 4.46Å; Q348-K350 VanDerWaalsContact OE1-NZ 3.09Å; Q348-C355 HydrophobicContact CB-CB 4.42Å; Q348-C355 PolarHBondContact N-O 3.28Å; Q348-C355 PolarHBondContact O-N 2.73Å |
| 349 | L | 80.9 | Confident | 78.8 | Confident | 36 Ų | 36 | 78.9 Ų | 78.9 | 19% | 0.188 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 103.5 | 171.7 | -176.8 | 71.9 | 0 | 0 | 0 | 108.9 | N330 D331 Y354 | N330-L349 WeakPolarHBondContact O-CB 3.46Å; D331-L349 PolarHBondContact OD1-N 3.09Å; D331-L349 VanDerWaalsContact OD1-N 3.13Å; L349-Y354 HydrophobicContact CD1-CD1 4.05Å; L349-Y354 HydrophobicContact CD1-CD2 4.48Å; L349-Y354 HydrophobicContact CD1-CE1 3.71Å; L349-Y354 HydrophobicContact CD1-CE2 4.16Å; L349-Y354 HydrophobicContact CD1-CG 4.41Å |
| 350 | K | 81.3 | Confident | 80.1 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 52% | 0.522 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125.4 | 179 | -70.4 | -177.6 | 175.4 | 173.8 | 0 | 109.7 | Q348 N352 L353 | Q348-K350 HydrophobicContact CB-CG 4.46Å; Q348-K350 VanDerWaalsContact OE1-NZ 3.09Å; K350-N352 PolarHBondContact O-N 2.94Å; K350-N352 VanDerWaalsContact O-N 3.11Å; K350-L353 PolarHBondContact N-O 2.82Å; K350-L353 WeakPolarHBondContact O-CA 3.39Å; K350-L353 WeakPolarHBondContact O-CB 3.42Å; K350-L353 PolarHBondContact O-N 3.23Å |
| 351 | E | 78.1 | Confident | 81.4 | Confident | 187 Ų | 187 | 74 Ų | 74 | 87% | 0.874 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 39.2 | 176.8 | -57.2 | -177.4 | 120.3 | 0 | 0 | 113.2 | L353 | E351-L353 PolarHBondContact O-N 3.15Š|
| 352 | N | 80.7 | Confident | 82.2 | Confident | 122 Ų | 122 | 74.6 Ų | 74.6 | 65% | 0.652 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 11.2 | -176.4 | -142.3 | 37.1 | 0 | 0 | 0 | 115.7 | K350 | K350-N352 PolarHBondContact O-N 2.94Å; K350-N352 VanDerWaalsContact O-N 3.11Å |
| 353 | L | 83.1 | Confident | 82.5 | Confident | 53 Ų | 53 | 76 Ų | 76 | 28% | 0.277 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.5 | 173.4 | -62.6 | 170.2 | 0 | 0 | 0 | 110.8 | K350 E351 F361 N362 | K350-L353 PolarHBondContact N-O 2.82Å; K350-L353 WeakPolarHBondContact O-CA 3.39Å; K350-L353 WeakPolarHBondContact O-CB 3.42Å; K350-L353 PolarHBondContact O-N 3.23Å; E351-L353 PolarHBondContact O-N 3.15Å; L353-F361 WeakPolarHBondContact CA-O 3.39Å; L353-N362 HydrophobicContact CD2-CB 4.45Å; L353-N362 WeakPolarHBondContact CD2-OD1 3.33Å |
| 354 | Y | 84.6 | Confident | 82.7 | Confident | 16 Ų | 16 | 72.5 Ų | 72.5 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.6 | 177 | -62.4 | -90.5 | 0 | 0 | 0 | 109.3 | F292 F332 V347 L349 K360 F361 M364 | F292-Y354 HydrophobicContact CE2-CE1 4.36Å; F292-Y354 AromaticContact CZ-CE1 3.83Å; F292-Y354 HydrophobicContact CZ-CE1 3.83Å; F292-Y354 AromaticContact CZ-CZ 3.74Å; F292-Y354 WeakPolarHBondContact CZ-OH 3.4Å; F332-Y354 HydrophobicContact CD2-CD1 4.39Å; F332-Y354 HydrophobicContact CD2-CE1 4.05Å; F332-Y354 AromaticContact CE2-CE1 3.9Å; F332-Y354 HydrophobicContact CE2-CE1 3.9Å; V347-Y354 HydrophobicContact CG1-CD1 4.11Å; L349-Y354 HydrophobicContact CD1-CD1 4.05Å; L349-Y354 HydrophobicContact CD1-CD2 4.48Å; L349-Y354 HydrophobicContact CD1-CE1 3.71Å; L349-Y354 HydrophobicContact CD1-CE2 4.16Å; L349-Y354 HydrophobicContact CD1-CG 4.41Å; Y354-K360 CarbonylContact O-C 3.59Å; Y354-F361 PolarHBondContact N-O 3.32Å; Y354-F361 PolarHBondContact O-N 2.71Å; Y354-M364 HydrophobicContact CD1-CB 4.34Å; Y354-M364 HydrophobicContact CD1-SD 3.96Å; Y354-M364 HydrophobicContact CE1-CB 4.25Å; Y354-M364 HydrophobicContact CE1-SD 4.46Å |
| 355 | C | 81.7 | Confident | 82.7 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 10% | 0.095 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.7 | -176.8 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | V347 Q348 R359 | V347-C355 CarbonylContact C-O 3.46Å; V347-C355 WeakPolarHBondContact CA-O 3.49Å; Q348-C355 HydrophobicContact CB-CB 4.42Å; Q348-C355 PolarHBondContact N-O 3.28Å; Q348-C355 PolarHBondContact O-N 2.73Å; C355-R359 WeakPolarHBondContact CA-O 3.17Å |
| 356 | I | 83.8 | Confident | 82.8 | Confident | 8 Ų | 8 | 76.9 Ų | 76.9 | 4% | 0.041 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 113 | 176.1 | 176.5 | 170.9 | 0 | 0 | 0 | 109.3 | I334 F345 V347 Q358 R359 F361 L367 Y371 I376 | I334-I356 HydrophobicContact CD1-CD1 4.01Å; F345-I356 HydrophobicContact CB-CD1 3.68Å; F345-I356 HydrophobicContact CB-CG1 4.37Å; F345-I356 HydrophobicContact CG-CD1 4.34Å; V347-I356 HydrophobicContact CG2-CB 4.31Å; V347-I356 HydrophobicContact CG2-CD1 4.2Å; I356-Q358 PolarHBondContact O-N 2.76Å; I356-Q358 VanDerWaalsContact O-N 3.17Å; I356-R359 PolarHBondContact N-O 2.72Å; I356-R359 PolarHBondContact O-N 3.1Å; I356-R359 VanDerWaalsContact O-N 3.07Å; I356-F361 HydrophobicContact CG2-CD2 4.03Å; I356-F361 HydrophobicContact CG2-CE2 3.59Å; I356-L367 HydrophobicContact CB-CD1 4.28Å; I356-L367 HydrophobicContact CG2-CD1 3.63Å; I356-L367 HydrophobicContact CG2-CG 4.04Å; I356-Y371 HydrophobicContact CD1-CE2 4.3Å; I356-Y371 HydrophobicContact CG2-CE2 3.53Å; I356-Y371 WeakPolarHBondContact CG2-OH 3.17Å; I356-I376 HydrophobicContact CD1-CD1 3.74Å; I356-I376 HydrophobicContact CD1-CG1 4.15Å |
| 357 | G | 78.9 | Confident | 83 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 81% | 0.814 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | -117.6 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 358 | Q | 75.1 | Confident | 83 | Confident | 199 Ų | 199 | 72.9 Ų | 72.9 | 93% | 0.93 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -6.9 | 179 | -66.5 | -177.4 | -15.7 | 0 | 0 | 114 | I356 | I356-Q358 PolarHBondContact O-N 2.76Å; I356-Q358 VanDerWaalsContact O-N 3.17Å |
| 359 | R | 78.8 | Confident | 82.9 | Confident | 134 Ų | 134 | 74.7 Ų | 74.7 | 51% | 0.506 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 149.3 | -176.6 | -63.1 | -171.1 | -178.3 | -111.5 | -9.4 | 111.3 | C355 I356 F361 H370 Y371 | C355-R359 WeakPolarHBondContact CA-O 3.17Å; I356-R359 PolarHBondContact N-O 2.72Å; I356-R359 PolarHBondContact O-N 3.1Å; I356-R359 VanDerWaalsContact O-N 3.07Å; R359-F361 HydrophobicContact CB-CE2 3.67Å; R359-F361 HydrophobicContact CB-CZ 3.95Å; R359-H370 PolarHBondContact NH1-NE2 3.42Å; R359-Y371 WeakPolarHBondContact CD-OH 3.33Å |
| 360 | K | 88.1 | Confident | 83 | Confident | 153 Ų | 153 | 76 Ų | 76 | 67% | 0.665 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.1 | -179.5 | -53.8 | -175.2 | -177.7 | -179.7 | 0 | 109.5 | Y354 | Y354-K360 CarbonylContact O-C 3.59Å |
| 361 | F | 88.4 | Confident | 83.1 | Confident | 11 Ų | 11 | 71 Ų | 71 | 5% | 0.048 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.4 | -177.1 | -59.4 | -84.8 | 0 | 0 | 0 | 110.4 | L353 Y354 I356 R359 E366 L367 H370 Y371 | L353-F361 WeakPolarHBondContact CA-O 3.39Å; Y354-F361 PolarHBondContact N-O 3.32Å; Y354-F361 PolarHBondContact O-N 2.71Å; I356-F361 HydrophobicContact CG2-CD2 4.03Å; I356-F361 HydrophobicContact CG2-CE2 3.59Å; R359-F361 HydrophobicContact CB-CE2 3.67Å; R359-F361 HydrophobicContact CB-CZ 3.95Å; F361-E366 HydrophobicContact CD1-CG 4.2Å; F361-L367 HydrophobicContact CB-CB 3.9Å; F361-L367 HydrophobicContact CD1-CB 4.2Å; F361-L367 HydrophobicContact CD2-CB 3.73Å; F361-L367 HydrophobicContact CD2-CD1 3.67Å; F361-L367 HydrophobicContact CD2-CG 3.56Å; F361-L367 HydrophobicContact CE2-CB 4.31Å; F361-L367 HydrophobicContact CE2-CD1 4.22Å; F361-L367 HydrophobicContact CE2-CG 3.84Å; F361-L367 HydrophobicContact CG-CB 3.66Å; F361-L367 HydrophobicContact CG-CD1 4.36Å; F361-L367 HydrophobicContact CG-CG 4.05Å; F361-H370 HydrophobicContact CD1-CB 4.36Å; F361-H370 HydrophobicContact CE1-CB 3.48Å; F361-H370 VanDerWaalsContact CE1-CB 3.48Å; F361-H370 AromaticContact CE1-CD2 3.76Å; F361-H370 AromaticContact CE1-CG 3.51Å; F361-H370 HydrophobicContact CZ-CB 4.03Å; F361-H370 AromaticContact CZ-CD2 3.59Å; F361-H370 AromaticContact CZ-CG 3.85Å; F361-Y371 HydrophobicContact CE2-CD2 4.48Å; F361-Y371 AromaticContact CE2-CE2 3.56Å; F361-Y371 HydrophobicContact CE2-CE2 3.56Å; F361-Y371 HydrophobicContact CZ-CD2 4.3Å; F361-Y371 AromaticContact CZ-CE2 3.6Å; F361-Y371 HydrophobicContact CZ-CE2 3.6Å |
| 362 | N | 85.9 | Confident | 83.3 | Confident | 114 Ų | 114 | 66.8 Ų | 66.8 | 61% | 0.61 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -83.2 | -22.3 | -178.8 | -56.2 | -74.4 | 0 | 0 | 0 | 112.1 | L353 E366 | L353-N362 HydrophobicContact CD2-CB 4.45Å; L353-N362 WeakPolarHBondContact CD2-OD1 3.33Å; N362-E366 WeakPolarHBondContact CB-OE2 3.4Å; N362-E366 PolarHBondContact N-OE2 3.32Å; N362-E366 PolarHBondContact ND2-OE2 2.89Å |
| 363 | S | 85.2 | Confident | 83.1 | Confident | 38 Ų | 38 | 68.3 Ų | 68.3 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -142 | 156.4 | 175.7 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | E365 E366 L367 | S363-E365 PolarHBondContact O-N 2.86Å; S363-E366 PolarHBondContact O-N 2.74Å; S363-E366 WeakPolarHBondContact OG-CB 3.31Å; S363-E366 PolarHBondContact OG-N 2.85Å; S363-L367 PolarHBondContact O-N 3.23Å; S363-L367 VanDerWaalsContact O-N 3.12Å |
| 364 | M | 81.6 | Confident | 83 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.2 | -31.3 | 173.7 | -166.6 | 66.4 | -157.1 | 0 | 0 | 111.6 | F292 W297 I322 I334 V347 Y354 L367 V368 | F292-M364 HydrophobicContact CD1-CB 4.41Å; F292-M364 HydrophobicContact CE1-CB 3.63Å; F292-M364 HydrophobicContact CE1-CG 4.45Å; F292-M364 HydrophobicContact CE2-CB 4.14Å; F292-M364 HydrophobicContact CE2-CG 4.25Å; F292-M364 HydrophobicContact CZ-CB 3.46Å; F292-M364 VanDerWaalsContact CZ-CB 3.46Å; F292-M364 HydrophobicContact CZ-CG 4.07Å; W297-M364 HydrophobicContact CH2-CB 4.21Å; W297-M364 HydrophobicContact CH2-CG 3.87Å; W297-M364 HydrophobicContact CZ3-CG 3.89Å; I322-M364 HydrophobicContact CD1-CE 3.28Å; I322-M364 HydrophobicContact CD1-CG 4.34Å; I322-M364 HydrophobicContact CG1-CE 3.97Å; I322-M364 HydrophobicContact CG2-CE 3.88Å; I334-M364 HydrophobicContact CD1-CE 3.79Å; I334-M364 HydrophobicContact CG1-CE 3.9Å; V347-M364 HydrophobicContact CG1-SD 4.16Å; V347-M364 HydrophobicContact CG2-CE 4.23Å; Y354-M364 HydrophobicContact CD1-CB 4.34Å; Y354-M364 HydrophobicContact CD1-SD 3.96Å; Y354-M364 HydrophobicContact CE1-CB 4.25Å; Y354-M364 HydrophobicContact CE1-SD 4.46Å; M364-L367 HydrophobicContact CE-CD1 4.44Å; M364-L367 HydrophobicContact CE-CD2 3.98Å; M364-L367 WeakPolarHBondContact O-CB 3.48Å; M364-L367 PolarHBondContact O-N 2.92Å; M364-L367 HydrophobicContact SD-CD1 4.27Å; M364-V368 HydrophobicContact CE-CG2 4.31Å; M364-V368 VanDerWaalsContact O-CG2 3.29Å; M364-V368 WeakPolarHBondContact O-CG2 3.38Å; M364-V368 PolarHBondContact O-N 2.77Å |
| 365 | E | 84.8 | Confident | 82.8 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 43% | 0.425 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 177.1 | -67.5 | 163.7 | 122.8 | 0 | 0 | 111.5 | K295 W297 S363 L367 V368 E369 | K295-E365 WeakPolarHBondContact CE-OE1 3.49Å; K295-E365 IonicContact NZ-OE1 2.62Å; K295-E365 PolarHBondContact NZ-OE1 3.48Å; W297-E365 HydrophobicContact CZ2-CG 3.95Å; S363-E365 PolarHBondContact O-N 2.86Å; E365-L367 VanDerWaalsContact C-N 3.31Å; E365-L367 PolarHBondContact O-N 2.97Å; E365-V368 PolarHBondContact O-N 3.39Å; E365-E369 WeakPolarHBondContact O-CB 2.91Å; E365-E369 PolarHBondContact O-N 2.79Å |
| 366 | E | 83.9 | Confident | 82.8 | Confident | 83 Ų | 83 | 68.6 Ų | 68.6 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 175.3 | -173.7 | -174.2 | -170.3 | 0 | 0 | 111.2 | F361 N362 S363 E369 H370 | F361-E366 HydrophobicContact CD1-CG 4.2Å; N362-E366 WeakPolarHBondContact CB-OE2 3.4Å; N362-E366 PolarHBondContact N-OE2 3.32Å; N362-E366 PolarHBondContact ND2-OE2 2.89Å; S363-E366 PolarHBondContact O-N 2.74Å; S363-E366 WeakPolarHBondContact OG-CB 3.31Å; S363-E366 PolarHBondContact OG-N 2.85Å; E366-E369 PolarHBondContact O-N 3.03Å; E366-H370 VanDerWaalsContact O-CB 3.25Å; E366-H370 WeakPolarHBondContact O-CB 3.35Å; E366-H370 PolarHBondContact O-N 3.41Å |
| 367 | L | 87.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.9 | -51.9 | 173.5 | -174.3 | 160.7 | 0 | 0 | 0 | 110.7 | I334 V347 I356 F361 S363 M364 E365 E369 H370 Y371 | I334-L367 HydrophobicContact CD1-CD2 3.46Å; I334-L367 VanDerWaalsContact CD1-CD2 3.46Å; V347-L367 HydrophobicContact CG1-CD1 3.87Å; V347-L367 HydrophobicContact CG2-CD1 4.26Å; I356-L367 HydrophobicContact CB-CD1 4.28Å; I356-L367 HydrophobicContact CG2-CD1 3.63Å; I356-L367 HydrophobicContact CG2-CG 4.04Å; F361-L367 HydrophobicContact CB-CB 3.9Å; F361-L367 HydrophobicContact CD1-CB 4.2Å; F361-L367 HydrophobicContact CD2-CB 3.73Å; F361-L367 HydrophobicContact CD2-CD1 3.67Å; F361-L367 HydrophobicContact CD2-CG 3.56Å; F361-L367 HydrophobicContact CE2-CB 4.31Å; F361-L367 HydrophobicContact CE2-CD1 4.22Å; F361-L367 HydrophobicContact CE2-CG 3.84Å; F361-L367 HydrophobicContact CG-CB 3.66Å; F361-L367 HydrophobicContact CG-CD1 4.36Å; F361-L367 HydrophobicContact CG-CG 4.05Å; S363-L367 PolarHBondContact O-N 3.23Å; S363-L367 VanDerWaalsContact O-N 3.12Å; M364-L367 HydrophobicContact CE-CD1 4.44Å; M364-L367 HydrophobicContact CE-CD2 3.98Å; M364-L367 WeakPolarHBondContact O-CB 3.48Å; M364-L367 PolarHBondContact O-N 2.92Å; M364-L367 HydrophobicContact SD-CD1 4.27Å; E365-L367 VanDerWaalsContact C-N 3.31Å; E365-L367 PolarHBondContact O-N 2.97Å; L367-E369 PolarHBondContact O-N 2.86Å; L367-H370 PolarHBondContact O-N 2.77Å; L367-Y371 HydrophobicContact CD2-CD2 3.76Å; L367-Y371 HydrophobicContact CD2-CE2 4.11Å; L367-Y371 HydrophobicContact CG-CD2 4.07Å; L367-Y371 HydrophobicContact CG-CE2 4.06Å; L367-Y371 WeakPolarHBondContact O-CD2 3.22Å; L367-Y371 PolarHBondContact O-N 2.78Å |
| 368 | V | 85.8 | Confident | 82.4 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | -179.3 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | F320 I322 M364 E365 Y371 K372 L387 | F320-V368 HydrophobicContact CE2-CG1 3.85Å; F320-V368 HydrophobicContact CE2-CG2 4.19Å; F320-V368 HydrophobicContact CZ-CG1 3.51Å; I322-V368 HydrophobicContact CD1-CG2 3.42Å; I322-V368 VanDerWaalsContact CD1-CG2 3.42Å; M364-V368 HydrophobicContact CE-CG2 4.31Å; M364-V368 VanDerWaalsContact O-CG2 3.29Å; M364-V368 WeakPolarHBondContact O-CG2 3.38Å; M364-V368 PolarHBondContact O-N 2.77Å; E365-V368 PolarHBondContact O-N 3.39Å; V368-Y371 PolarHBondContact O-N 2.98Å; V368-K372 HydrophobicContact CG1-CD 4.34Å; V368-K372 WeakPolarHBondContact O-CG 3.08Å; V368-K372 PolarHBondContact O-N 3.03Å; V368-L387 HydrophobicContact CG2-CD1 4.48Å |
| 369 | E | 82.7 | Confident | 81.9 | Confident | 107 Ų | 107 | 63.3 Ų | 63.3 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.2 | -35.3 | 179 | -165.2 | -179.3 | 152.1 | 0 | 0 | 112.5 | E365 E366 L367 K372 K373 | E365-E369 WeakPolarHBondContact O-CB 2.91Å; E365-E369 PolarHBondContact O-N 2.79Å; E366-E369 PolarHBondContact O-N 3.03Å; L367-E369 PolarHBondContact O-N 2.86Å; E369-K372 WeakPolarHBondContact O-CB 2.96Å; E369-K372 PolarHBondContact O-N 2.78Å; E369-K373 PolarHBondContact O-N 3.01Å; E369-K373 IonicContact OE1-NZ 3.23Å; E369-K373 PolarHBondContact OE1-NZ 3.02Å |
| 370 | H | 83.6 | Confident | 81 | Confident | 64 Ų | 64 | 66.8 Ų | 66.8 | 30% | 0.296 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -48.8 | 173.8 | -174.5 | 83.8 | 0 | 0 | 0 | 111 | R359 F361 E366 L367 K372 K373 A374 | R359-H370 PolarHBondContact NH1-NE2 3.42Å; F361-H370 HydrophobicContact CD1-CB 4.36Å; F361-H370 HydrophobicContact CE1-CB 3.48Å; F361-H370 VanDerWaalsContact CE1-CB 3.48Å; F361-H370 AromaticContact CE1-CD2 3.76Å; F361-H370 AromaticContact CE1-CG 3.51Å; F361-H370 HydrophobicContact CZ-CB 4.03Å; F361-H370 AromaticContact CZ-CD2 3.59Å; F361-H370 AromaticContact CZ-CG 3.85Å; E366-H370 VanDerWaalsContact O-CB 3.25Å; E366-H370 WeakPolarHBondContact O-CB 3.35Å; E366-H370 PolarHBondContact O-N 3.41Å; L367-H370 PolarHBondContact O-N 2.77Å; H370-K372 VanDerWaalsContact C-N 3.25Å; H370-K372 PolarHBondContact O-N 3.38Å; H370-K373 PolarHBondContact O-N 3.18Å; H370-A374 WeakPolarHBondContact O-CB 3.36Å; H370-A374 PolarHBondContact O-N 3.35Å |
| 371 | Y | 83.4 | Confident | 79.8 | Confident | 14 Ų | 14 | 67.6 Ų | 67.6 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -79.9 | -3.4 | -179 | -70.3 | -67.3 | 0 | 0 | 0 | 114.9 | I356 R359 F361 L367 V368 A374 I376 L387 | I356-Y371 HydrophobicContact CD1-CE2 4.3Å; I356-Y371 HydrophobicContact CG2-CE2 3.53Å; I356-Y371 WeakPolarHBondContact CG2-OH 3.17Å; R359-Y371 WeakPolarHBondContact CD-OH 3.33Å; F361-Y371 HydrophobicContact CE2-CD2 4.48Å; F361-Y371 AromaticContact CE2-CE2 3.56Å; F361-Y371 HydrophobicContact CE2-CE2 3.56Å; F361-Y371 HydrophobicContact CZ-CD2 4.3Å; F361-Y371 AromaticContact CZ-CE2 3.6Å; F361-Y371 HydrophobicContact CZ-CE2 3.6Å; L367-Y371 HydrophobicContact CD2-CD2 3.76Å; L367-Y371 HydrophobicContact CD2-CE2 4.11Å; L367-Y371 HydrophobicContact CG-CD2 4.07Å; L367-Y371 HydrophobicContact CG-CE2 4.06Å; L367-Y371 WeakPolarHBondContact O-CD2 3.22Å; L367-Y371 PolarHBondContact O-N 2.78Å; V368-Y371 PolarHBondContact O-N 2.98Å; Y371-A374 CarbonylContact C-O 3.45Å; Y371-A374 VanDerWaalsContact C-O 3.32Å; Y371-A374 VanDerWaalsContact CA-O 3.23Å; Y371-A374 WeakPolarHBondContact CA-O 3.49Å; Y371-I376 HydrophobicContact CD1-CB 3.5Å; Y371-I376 HydrophobicContact CD1-CD1 4.41Å; Y371-I376 HydrophobicContact CD1-CG1 3.74Å; Y371-I376 HydrophobicContact CD2-CD1 4.35Å; Y371-I376 HydrophobicContact CD2-CG1 4.43Å; Y371-I376 HydrophobicContact CE1-CB 4Å; Y371-I376 HydrophobicContact CE1-CG1 3.87Å; Y371-I376 HydrophobicContact CG-CB 3.95Å; Y371-I376 HydrophobicContact CG-CD1 4.16Å; Y371-I376 HydrophobicContact CG-CG1 4Å; Y371-L387 PolarHBondContact O-N 3.03Å |
| 372 | K | 80.7 | Confident | 78.8 | Confident | 99 Ų | 99 | 69.2 Ų | 69.2 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71.4 | -36.5 | 160.2 | -86.3 | 170.3 | 175 | -167.7 | 0 | 111.8 | V368 E369 H370 L387 | V368-K372 HydrophobicContact CG1-CD 4.34Å; V368-K372 WeakPolarHBondContact O-CG 3.08Å; V368-K372 PolarHBondContact O-N 3.03Å; E369-K372 WeakPolarHBondContact O-CB 2.96Å; E369-K372 PolarHBondContact O-N 2.78Å; H370-K372 VanDerWaalsContact C-N 3.25Å; H370-K372 PolarHBondContact O-N 3.38Å; K372-L387 HydrophobicContact CG-CB 4.43Å; K372-L387 WeakPolarHBondContact CG-O 3.33Å |
| 373 | K | 78.1 | Confident | 78.1 | Confident | 154 Ų | 154 | 67.4 Ų | 67.4 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -96.4 | -30 | -176.5 | -62.5 | 174 | -169.6 | 163.5 | 0 | 112.7 | E369 H370 | E369-K373 PolarHBondContact O-N 3.01Å; E369-K373 IonicContact OE1-NZ 3.23Å; E369-K373 PolarHBondContact OE1-NZ 3.02Å; H370-K373 PolarHBondContact O-N 3.18Å |
| 374 | A | 79.9 | Confident | 77.8 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 20% | 0.198 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -114.6 | 144.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | H370 Y371 I376 | H370-A374 WeakPolarHBondContact O-CB 3.36Å; H370-A374 PolarHBondContact O-N 3.35Å; Y371-A374 CarbonylContact C-O 3.45Å; Y371-A374 VanDerWaalsContact C-O 3.32Å; Y371-A374 VanDerWaalsContact CA-O 3.23Å; Y371-A374 WeakPolarHBondContact CA-O 3.49Å; A374-I376 PolarHBondContact O-N 2.85Å |
| 375 | P | 80.8 | Confident | 77.6 | Confident | 44 Ų | 44 | 72 Ų | 72 | 29% | 0.286 | 36% | 0.362 | S | S | . | . | trans | -67.9 | 130.8 | 179.2 | 27.9 | -33.4 | 0 | 0 | 0 | 111 | F377 K384 L385 Y386 | P375-F377 VanDerWaalsContact C-N 3.3Å; P375-K384 HydrophobicContact CB-CB 3.88Å; P375-K384 HydrophobicContact CB-CG 4.15Å; P375-K384 HydrophobicContact CG-CD 4.27Å; P375-K384 HydrophobicContact CG-CG 4.32Å; P375-L385 CarbonylContact C-O 3.55Å; P375-L385 WeakPolarHBondContact CA-O 3.49Å; P375-Y386 HydrophobicContact CB-CD1 4.36Å; P375-Y386 HydrophobicContact CB-CE1 3.94Å; P375-Y386 HydrophobicContact CB-CE2 4.34Å; P375-Y386 HydrophobicContact CG-CE1 4.31Å; P375-Y386 VanDerWaalsContact N-CE1 3.33Å | ||
| 376 | I | 80.9 | Confident | 77.5 | Confident | 20 Ų | 20 | 71.2 Ų | 71.2 | 10% | 0.103 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -76.3 | -24.9 | 174 | -165.2 | 168.9 | 0 | 0 | 0 | 111.7 | I334 L336 F345 I356 Y371 A374 L385 L387 | I334-I376 HydrophobicContact CD1-CD1 4.32Å; L336-I376 HydrophobicContact CD2-CG2 3.6Å; F345-I376 HydrophobicContact CB-CD1 4.42Å; F345-I376 HydrophobicContact CD1-CD1 4.49Å; F345-I376 HydrophobicContact CD1-CG1 4.3Å; F345-I376 HydrophobicContact CD2-CD1 3.68Å; F345-I376 HydrophobicContact CD2-CG1 4.19Å; F345-I376 HydrophobicContact CE1-CG1 4.3Å; F345-I376 HydrophobicContact CE2-CD1 4.02Å; F345-I376 HydrophobicContact CE2-CG1 4.19Å; F345-I376 HydrophobicContact CE2-CG2 3.88Å; F345-I376 HydrophobicContact CG-CD1 3.94Å; F345-I376 HydrophobicContact CG-CG1 4.25Å; F345-I376 HydrophobicContact CZ-CG1 4.25Å; F345-I376 HydrophobicContact CZ-CG2 3.96Å; I356-I376 HydrophobicContact CD1-CD1 3.74Å; I356-I376 HydrophobicContact CD1-CG1 4.15Å; Y371-I376 HydrophobicContact CD1-CB 3.5Å; Y371-I376 HydrophobicContact CD1-CD1 4.41Å; Y371-I376 HydrophobicContact CD1-CG1 3.74Å; Y371-I376 HydrophobicContact CD2-CD1 4.35Å; Y371-I376 HydrophobicContact CD2-CG1 4.43Å; Y371-I376 HydrophobicContact CE1-CB 4Å; Y371-I376 HydrophobicContact CE1-CG1 3.87Å; Y371-I376 HydrophobicContact CG-CB 3.95Å; Y371-I376 HydrophobicContact CG-CD1 4.16Å; Y371-I376 HydrophobicContact CG-CG1 4Å; A374-I376 PolarHBondContact O-N 2.85Å; I376-L385 HydrophobicContact CG2-CB 4.37Å; I376-L385 WeakPolarHBondContact CG2-O 3.4Å; I376-L385 PolarHBondContact N-O 3.23Å; I376-L387 HydrophobicContact CD1-CD1 4.32Å; I376-L387 HydrophobicContact CD1-CD2 4.01Å; I376-L387 HydrophobicContact CD1-CG 4.27Å; I376-L387 HydrophobicContact CG2-CD2 4.4Å |
| 377 | F | 78.4 | Confident | 77.5 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 140 | 176.1 | 179.7 | -95.6 | 0 | 0 | 0 | 109.9 | F345 P375 L385 | F345-F377 HydrophobicContact CE1-CB 4.04Å; F345-F377 HydrophobicContact CE1-CD2 4.43Å; F345-F377 HydrophobicContact CZ-CB 3.74Å; F345-F377 HydrophobicContact CZ-CG 4.44Å; P375-F377 VanDerWaalsContact C-N 3.3Å; F377-L385 HydrophobicContact CB-CB 4.28Å; F377-L385 HydrophobicContact CB-CD1 4.26Å; F377-L385 HydrophobicContact CD1-CD1 3.84Å; F377-L385 HydrophobicContact CD1-CG 4.35Å; F377-L385 HydrophobicContact CG-CD1 4.42Å; F377-L385 PolarHBondContact O-N 2.9Å |
| 378 | T | 75.9 | Confident | 77 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 47% | 0.472 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.6 | 171.3 | -51.4 | 0 | 0 | 0 | 0 | 107.2 | D383 K384 | T378-D383 CarbonylContact C-O 3.54Å; T378-D383 WeakPolarHBondContact CA-O 3.16Å; T378-K384 HydrophobicContact CG2-CG 4.07Å |
| 379 | S | 65.8 | Low | 76.7 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 22% | 0.224 | 38% | 0.382 | C | S | . | . | trans | -68.8 | 153.8 | 173.2 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | Q381 G382 D383 | S379-Q381 PolarHBondContact O-N 3.05Å; S379-Q381 VanDerWaalsContact O-N 3.16Å; S379-G382 PolarHBondContact O-N 3.03Å; S379-D383 PolarHBondContact N-O 2.96Å | ||
| 380 | E | 59.8 | Low | 76.7 | Confident | 207 Ų | 207 | 73.1 Ų | 73.1 | 97% | 0.967 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.1 | 172.7 | -66.2 | -174.6 | 126.6 | 0 | 0 | 112.3 | G382 | E380-G382 VanDerWaalsContact C-N 3.26Å; E380-G382 PolarHBondContact O-N 3.09Å |
| 381 | Q | 61.9 | Low | 76.4 | Confident | 169 Ų | 169 | 70.2 Ų | 70.2 | 79% | 0.79 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2.7 | 175.4 | -62.1 | 175.5 | 13 | 0 | 0 | 113.2 | S379 | S379-Q381 PolarHBondContact O-N 3.05Å; S379-Q381 VanDerWaalsContact O-N 3.16Å |
| 382 | G | 68.8 | Low | 75.3 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 47% | 0.474 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 94.5 | -3.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | S379 E380 K384 | S379-G382 PolarHBondContact O-N 3.03Å; E380-G382 VanDerWaalsContact C-N 3.26Å; E380-G382 PolarHBondContact O-N 3.09Å; G382-K384 PolarHBondContact O-N 2.97Å |
| 383 | D | 70.4 | Confident | 74.1 | Confident | 76 Ų | 76 | 71 Ų | 71 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | trans | -68.2 | 125.2 | 178.4 | -57.2 | -47.8 | 0 | 0 | 0 | 111.4 | T378 S379 | T378-D383 CarbonylContact C-O 3.54Å; T378-D383 WeakPolarHBondContact CA-O 3.16Å; S379-D383 PolarHBondContact N-O 2.96Å | ||
| 384 | K | 78.4 | Confident | 72.8 | Confident | 121 Ų | 121 | 67.7 Ų | 67.7 | 53% | 0.526 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.2 | -178.7 | -73.1 | 177.2 | -170.9 | 174.3 | 0 | 109 | P375 T378 G382 Y386 | P375-K384 HydrophobicContact CB-CB 3.88Å; P375-K384 HydrophobicContact CB-CG 4.15Å; P375-K384 HydrophobicContact CG-CD 4.27Å; P375-K384 HydrophobicContact CG-CG 4.32Å; T378-K384 HydrophobicContact CG2-CG 4.07Å; G382-K384 PolarHBondContact O-N 2.97Å; K384-Y386 HydrophobicContact CB-CD2 4.33Å; K384-Y386 HydrophobicContact CB-CE2 3.41Å; K384-Y386 VanDerWaalsContact CB-CE2 3.41Å; K384-Y386 WeakPolarHBondContact CD-OH 3.39Å; K384-Y386 VanDerWaalsContact O-CD2 3.27Å; K384-Y386 WeakPolarHBondContact O-CD2 3.47Å; K384-Y386 WeakPolarHBondContact O-CE2 3.38Å |
| 385 | L | 78 | Confident | 72.4 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.073 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 132.9 | 176.7 | -63.6 | 178.8 | 0 | 0 | 0 | 109.9 | L336 A338 K343 P375 I376 F377 | L336-L385 HydrophobicContact CD2-CB 3.82Å; L336-L385 HydrophobicContact CD2-CD1 4.3Å; A338-L385 HydrophobicContact CB-CD1 3.78Å; A338-L385 HydrophobicContact CB-CD2 3.87Å; K343-L385 HydrophobicContact CG-CD1 3.95Å; P375-L385 CarbonylContact C-O 3.55Å; P375-L385 WeakPolarHBondContact CA-O 3.49Å; I376-L385 HydrophobicContact CG2-CB 4.37Å; I376-L385 WeakPolarHBondContact CG2-O 3.4Å; I376-L385 PolarHBondContact N-O 3.23Å; F377-L385 HydrophobicContact CB-CB 4.28Å; F377-L385 HydrophobicContact CB-CD1 4.26Å; F377-L385 HydrophobicContact CD1-CD1 3.84Å; F377-L385 HydrophobicContact CD1-CG 4.35Å; F377-L385 HydrophobicContact CG-CD1 4.42Å; F377-L385 PolarHBondContact O-N 2.9Å |
| 386 | Y | 83.3 | Confident | 72 | Confident | 74 Ų | 74 | 71.3 Ų | 71.3 | 29% | 0.29 | 40% | 0.395 | S | S | . | . | trans | -124.5 | 153.9 | -180 | -60.3 | -97.1 | 0 | 0 | 0 | 109.5 | P375 K384 I388 | P375-Y386 HydrophobicContact CB-CD1 4.36Å; P375-Y386 HydrophobicContact CB-CE1 3.94Å; P375-Y386 HydrophobicContact CB-CE2 4.34Å; P375-Y386 HydrophobicContact CG-CE1 4.31Å; P375-Y386 VanDerWaalsContact N-CE1 3.33Å; K384-Y386 HydrophobicContact CB-CD2 4.33Å; K384-Y386 HydrophobicContact CB-CE2 3.41Å; K384-Y386 VanDerWaalsContact CB-CE2 3.41Å; K384-Y386 WeakPolarHBondContact CD-OH 3.39Å; K384-Y386 VanDerWaalsContact O-CD2 3.27Å; K384-Y386 WeakPolarHBondContact O-CD2 3.47Å; K384-Y386 WeakPolarHBondContact O-CE2 3.38Å; Y386-I388 VanDerWaalsContact C-N 3.28Å; Y386-I388 PolarHBondContact O-N 3.21Å | ||
| 387 | L | 83.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 41% | 0.411 | C | S | . | . | trans | -80 | 76.5 | 171.1 | -61.4 | -172.3 | 0 | 0 | 0 | 109.2 | F320 I334 L336 V368 Y371 K372 I376 | F320-L387 HydrophobicContact CB-CD2 3.77Å; F320-L387 HydrophobicContact CD1-CB 3.61Å; F320-L387 HydrophobicContact CD1-CD2 4.14Å; F320-L387 HydrophobicContact CD1-CG 4.36Å; F320-L387 HydrophobicContact CD2-CD1 4.3Å; F320-L387 HydrophobicContact CD2-CD2 4.19Å; F320-L387 HydrophobicContact CE1-CB 3.68Å; F320-L387 HydrophobicContact CE2-CD1 4.33Å; F320-L387 HydrophobicContact CG-CB 4.07Å; F320-L387 HydrophobicContact CG-CD2 3.77Å; F320-L387 HydrophobicContact CG-CG 4.33Å; F320-L387 HydrophobicContact CZ-CB 4.17Å; I334-L387 HydrophobicContact CD1-CD1 4.41Å; I334-L387 HydrophobicContact CG2-CD1 4.43Å; I334-L387 HydrophobicContact CG2-CD2 3.9Å; L336-L387 HydrophobicContact CD1-CD2 4.01Å; L336-L387 HydrophobicContact CD2-CD2 4.25Å; V368-L387 HydrophobicContact CG2-CD1 4.48Å; Y371-L387 PolarHBondContact O-N 3.03Å; K372-L387 HydrophobicContact CG-CB 4.43Å; K372-L387 WeakPolarHBondContact CG-O 3.33Å; I376-L387 HydrophobicContact CD1-CD1 4.32Å; I376-L387 HydrophobicContact CD1-CD2 4.01Å; I376-L387 HydrophobicContact CD1-CG 4.27Å; I376-L387 HydrophobicContact CG2-CD2 4.4Å | ||
| 388 | I | 77.3 | Confident | 71.1 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 53% | 0.533 | 42% | 0.418 | S | S | . | . | trans | -69.2 | -59.4 | -169.9 | -57.8 | -174.9 | 0 | 0 | 0 | 111.1 | G318 Y386 | G318-I388 PolarHBondContact O-N 3.13Å; Y386-I388 VanDerWaalsContact C-N 3.28Å; Y386-I388 PolarHBondContact O-N 3.21Å | ||
| 389 | K | 79.2 | Confident | 70.8 | Confident | 102 Ų | 102 | 74.4 Ų | 74.4 | 44% | 0.443 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 147.7 | -177.8 | 63.4 | 177.4 | 179.7 | 175.3 | 0 | 112.3 | T316 G318 D319 F320 | T316-K389 WeakPolarHBondContact OG1-CE 3.19Å; T316-K389 PolarHBondContact OG1-NZ 3.05Å; G318-K389 PolarHBondContact O-N 2.84Å; D319-K389 CarbonylContact C-O 3.54Å; D319-K389 VanDerWaalsContact CA-O 3.25Å; D319-K389 WeakPolarHBondContact CA-O 3.19Å; D319-K389 HydrophobicContact CB-CG 4.48Å; D319-K389 WeakPolarHBondContact OD1-CE 3.46Å; D319-K389 VanDerWaalsContact OD1-CG 3.25Å; D319-K389 WeakPolarHBondContact OD1-CG 3.38Å; D319-K389 IonicContact OD1-NZ 3.73Å; D319-K389 WeakPolarHBondContact OD2-CE 3.47Å; D319-K389 IonicContact OD2-NZ 3.68Å; F320-K389 WeakPolarHBondContact CD1-O 2.91Å; F320-K389 VanDerWaalsContact CE1-C 3.44Å; F320-K389 WeakPolarHBondContact CE1-O 3.12Å; F320-K389 PolarHBondContact N-O 3.3Å |
| 390 | A | 81.5 | Confident | 71.1 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 22% | 0.223 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 141.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | E296 W297 F320 A392 | E296-A390 HydrophobicContact CB-CB 4.37Å; W297-A390 HydrophobicContact CB-CB 3.72Å; F320-A390 CarbonylContact O-C 3.46Å; F320-A390 WeakPolarHBondContact O-CA 3.28Å; A390-A392 PolarHBondContact O-N 3.25Å |
| 391 | L | 77.1 | Confident | 71.9 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.016 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 123.6 | 171.1 | -172.5 | 66.4 | 0 | 0 | 0 | 108.1 | Y299 A310 L311 R314 F320 L321 | Y299-L391 HydrophobicContact CE2-CB 4.33Å; Y299-L391 PolarHBondContact OH-O 2.75Å; A310-L391 HydrophobicContact CB-CD2 3.82Å; L311-L391 HydrophobicContact CD2-CB 4.4Å; L311-L391 HydrophobicContact CD2-CD1 4.23Å; L311-L391 HydrophobicContact CD2-CD2 4.22Å; R314-L391 HydrophobicContact CB-CD1 4.16Å; F320-L391 PolarHBondContact O-N 3.35Å; L321-L391 HydrophobicContact CB-CB 4.33Å; L321-L391 HydrophobicContact CD2-CD2 3.71Å |
| 392 | A | 60.8 | Low | 72.7 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 59% | 0.587 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 147.4 | -180 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y299 A390 | Y299-A392 PolarHBondContact OH-O 3.14Å; A390-A392 PolarHBondContact O-N 3.25Å |
| 393 | A | 56.7 | Low | 73 | Confident | 58 Ų | 58 | 61.3 Ų | 61.3 | 48% | 0.479 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 144.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P286 | P286-A393 VanDerWaalsContact CD-CB 3.47Å; P286-A393 HydrophobicContact CG-CB 4.12Å |
| 394 | S | 49.9 | Very low | 73.3 | Confident | 86 Ų | 86 | 60 Ų | 60 | 60% | 0.601 | 34% | 0.343 | S | S | * | . | trans | -71.1 | 0 | 176.1 | -97.8 | 0 | 0 | 0 | 0 | 113.1 | Y283 R314 | Y283-S394 VanDerWaalsContact CZ-O 3.27Å; Y283-S394 PolarHBondContact OH-O 3.49Å; R314-S394 VanDerWaalsContact CD-OG 3.23Å; R314-S394 WeakPolarHBondContact CD-OG 3.37Å; R314-S394 PolarHBondContact NH1-OG 2.84Å |
Retrieved 394 of 394 residues in 117.2 ms
(Link to these results)