| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.4 | Very low | 49.6 | Very low | 247 Ų | 247 | 129.2 Ų | 129.2 | 100% | 1.217 | 74% | 0.743 | S | S | * | * | 0 | 127.7 | 0 | -67.9 | 173.2 | 174.8 | 0 | 0 | 106.5 | |||||
| 2 | A | 36.2 | Very low | 52.6 | Low | 85 Ų | 85 | 129.1 Ų | 129.1 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | trans | -112.8 | 99.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | N4 | A2-N4 VanDerWaalsContact C-N 3.27Å; A2-N4 PolarHBondContact O-N 3.31Å | ||
| 3 | E | 43.1 | Very low | 55.3 | Low | 194 Ų | 194 | 124.5 Ų | 124.5 | 91% | 0.907 | 71% | 0.708 | S | S | * | * | trans | -73 | 89.3 | 163.7 | -71.3 | 179.8 | 133.1 | 0 | 0 | 107.3 | G5 | E3-G5 PolarHBondContact O-N 3.41Š| ||
| 4 | N | 40.2 | Very low | 57.7 | Low | 143 Ų | 143 | 116.9 Ų | 116.9 | 77% | 0.765 | 66% | 0.663 | S | S | * | * | trans | -74.5 | 106.3 | 164.3 | -73.8 | -24.3 | 0 | 0 | 0 | 106.9 | A2 D6 | A2-N4 VanDerWaalsContact C-N 3.27Å; A2-N4 PolarHBondContact O-N 3.31Å; N4-D6 PolarHBondContact O-N 3.44Å | ||
| 5 | G | 38 | Very low | 59.7 | Low | 73 Ų | 73 | 111.9 Ų | 111.9 | 75% | 0.753 | 64% | 0.638 | S | S | * | * | trans | -64.9 | 125.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E3 G7 | E3-G5 PolarHBondContact O-N 3.41Å; G5-G7 PolarHBondContact O-N 2.89Å | ||
| 6 | D | 38.3 | Very low | 61.5 | Low | 170 Ų | 170 | 111.9 Ų | 111.9 | 91% | 0.909 | 63% | 0.629 | S | S | * | * | trans | -69.7 | 73.9 | 172.1 | -72 | -53.4 | 0 | 0 | 0 | 110.8 | N4 E8 | N4-D6 PolarHBondContact O-N 3.44Å; D6-E8 PolarHBondContact O-N 3.1Å; D6-E8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | G | 43.5 | Very low | 63.2 | Low | 51 Ų | 51 | 105.4 Ų | 105.4 | 53% | 0.526 | 59% | 0.592 | S | S | . | * | trans | -70.8 | 101 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G5 N9 | G5-G7 PolarHBondContact O-N 2.89Å; G7-N9 VanDerWaalsContact C-N 3.32Å; G7-N9 PolarHBondContact O-N 2.9Å; G7-N9 PolarHBondContact O-ND2 3.07Å | ||
| 8 | E | 56.7 | Low | 64.7 | Low | 187 Ų | 187 | 99.7 Ų | 99.7 | 87% | 0.874 | 56% | 0.56 | S | S | * | * | trans | 39 | 40 | 145.1 | -58.4 | -164.2 | 147.7 | 0 | 0 | 119.3 | D6 | D6-E8 PolarHBondContact O-N 3.1Å; D6-E8 VanDerWaalsContact O-N 3.12Å | ||
| 9 | N | 58.7 | Low | 66 | Low | 151 Ų | 151 | 98.7 Ų | 98.7 | 81% | 0.807 | 55% | 0.551 | S | S | * | * | trans | -89.7 | 112.5 | 163.9 | -75.5 | -64.8 | 0 | 0 | 0 | 109.6 | G7 S11 | G7-N9 VanDerWaalsContact C-N 3.32Å; G7-N9 PolarHBondContact O-N 2.9Å; G7-N9 PolarHBondContact O-ND2 3.07Å; N9-S11 PolarHBondContact O-N 3.31Å | ||
| 10 | M | 68.6 | Low | 67.2 | Low | 59 Ų | 59 | 94.2 Ų | 94.2 | 29% | 0.291 | 53% | 0.525 | S | S | . | . | trans | -56.4 | 127.8 | 171.1 | -101.8 | -162.9 | -72.9 | 0 | 0 | 109.7 | E14 K74 | M10-E14 WeakPolarHBondContact CA-OE2 3.44Å; M10-E14 HydrophobicContact CG-CB 4.23Å; M10-E14 HydrophobicContact SD-CB 4.43Å; M10-K74 VanDerWaalsContact CE-O 3.32Å; M10-K74 WeakPolarHBondContact CE-O 3.36Å; M10-K74 HydrophobicContact CG-CB 3.54Å; M10-K74 HydrophobicContact CG-CD 3.96Å; M10-K74 HydrophobicContact CG-CG 4.37Å; M10-K74 HydrophobicContact SD-CB 3.93Å | ||
| 11 | S | 84.6 | Confident | 68.4 | Low | 61 Ų | 61 | 89.7 Ų | 89.7 | 43% | 0.427 | 50% | 0.5 | S | S | . | . | trans | -60.9 | 150.8 | 171.2 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | N9 L13 E14 S15 | N9-S11 PolarHBondContact O-N 3.31Å; S11-L13 PolarHBondContact O-N 2.71Å; S11-L13 VanDerWaalsContact O-N 3.13Å; S11-L13 PolarHBondContact OG-N 2.62Å; S11-E14 PolarHBondContact N-OE2 3.28Å; S11-E14 PolarHBondContact O-N 3.2Å; S11-S15 PolarHBondContact O-N 2.64Å | ||
| 12 | I | 85.7 | Confident | 70.9 | Confident | 128 Ų | 128 | 79.2 Ų | 79.2 | 66% | 0.656 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -54.1 | -33.4 | 172.4 | -60.6 | 172.2 | 0 | 0 | 0 | 110.4 | K16 | I12-K16 HydrophobicContact CG2-CD 4.22Å; I12-K16 WeakPolarHBondContact O-CB 3.25Å; I12-K16 VanDerWaalsContact O-CG 3.27Å; I12-K16 WeakPolarHBondContact O-CG 3.48Å; I12-K16 PolarHBondContact O-N 3.09Å; I12-K16 VanDerWaalsContact O-N 3.12Å |
| 13 | L | 87.6 | Confident | 73.5 | Confident | 70 Ų | 70 | 78.8 Ų | 78.8 | 37% | 0.366 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68 | -48.5 | 175.4 | -179.6 | 59.5 | 0 | 0 | 0 | 112.1 | S11 S15 K16 I17 L61 | S11-L13 PolarHBondContact O-N 2.71Å; S11-L13 VanDerWaalsContact O-N 3.13Å; S11-L13 PolarHBondContact OG-N 2.62Å; L13-S15 PolarHBondContact O-N 2.99Å; L13-K16 PolarHBondContact O-N 3.46Å; L13-I17 HydrophobicContact CD1-CD1 4.19Å; L13-I17 HydrophobicContact CD1-CG1 4.49Å; L13-I17 HydrophobicContact CG-CD1 4.02Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.05Å; L13-L61 HydrophobicContact CD1-CB 4.08Å; L13-L61 HydrophobicContact CD1-CD2 4.35Å |
| 14 | E | 88.8 | Confident | 75.8 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 178.3 | -65.8 | 176.6 | 137.4 | 0 | 0 | 111.1 | M10 S11 K16 I17 C18 A71 K74 | M10-E14 WeakPolarHBondContact CA-OE2 3.44Å; M10-E14 HydrophobicContact CG-CB 4.23Å; M10-E14 HydrophobicContact SD-CB 4.43Å; S11-E14 PolarHBondContact N-OE2 3.28Å; S11-E14 PolarHBondContact O-N 3.2Å; E14-K16 VanDerWaalsContact C-N 3.35Å; E14-K16 PolarHBondContact O-N 2.91Å; E14-I17 WeakPolarHBondContact O-CB 3.37Å; E14-I17 PolarHBondContact O-N 3.3Å; E14-I17 VanDerWaalsContact O-N 3.12Å; E14-C18 PolarHBondContact O-N 3.09Å; E14-C18 PolarHBondContact O-SG 3.08Å; E14-C18 VanDerWaalsContact O-SG 3.35Å; E14-A71 HydrophobicContact CB-CB 3.73Å; E14-A71 HydrophobicContact CG-CB 3.99Å; E14-K74 VanDerWaalsContact CD-NZ 3.29Å; E14-K74 IonicContact OE1-NZ 2.9Å; E14-K74 PolarHBondContact OE1-NZ 2.8Å; E14-K74 IonicContact OE2-NZ 2.65Å; E14-K74 PolarHBondContact OE2-NZ 2.62Å |
| 15 | S | 87.8 | Confident | 78.2 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 29% | 0.287 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | S11 L13 I17 C18 Q19 | S11-S15 PolarHBondContact O-N 2.64Å; L13-S15 PolarHBondContact O-N 2.99Å; S15-I17 PolarHBondContact O-N 2.96Å; S15-C18 PolarHBondContact O-N 3.38Å; S15-Q19 WeakPolarHBondContact O-CB 3.46Å; S15-Q19 VanDerWaalsContact O-CG 3.29Å; S15-Q19 WeakPolarHBondContact O-CG 3.4Å; S15-Q19 PolarHBondContact O-N 3.08Å |
| 16 | K | 88.8 | Confident | 80.5 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 175.3 | -75.6 | 175.6 | -179.6 | -177 | 0 | 112.7 | I12 L13 E14 Q20 L61 | I12-K16 HydrophobicContact CG2-CD 4.22Å; I12-K16 WeakPolarHBondContact O-CB 3.25Å; I12-K16 VanDerWaalsContact O-CG 3.27Å; I12-K16 WeakPolarHBondContact O-CG 3.48Å; I12-K16 PolarHBondContact O-N 3.09Å; I12-K16 VanDerWaalsContact O-N 3.12Å; L13-K16 PolarHBondContact O-N 3.46Å; E14-K16 VanDerWaalsContact C-N 3.35Å; E14-K16 PolarHBondContact O-N 2.91Å; K16-Q20 VanDerWaalsContact O-CB 3.24Å; K16-Q20 WeakPolarHBondContact O-CB 3.27Å; K16-Q20 PolarHBondContact O-N 3.24Å; K16-Q20 VanDerWaalsContact O-N 3.09Å; K16-L61 HydrophobicContact CB-CD1 4.1Å; K16-L61 HydrophobicContact CB-CD2 4.13Å; K16-L61 HydrophobicContact CD-CD2 4.49Å |
| 17 | I | 90.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.3 | -50.5 | 174.6 | -71.8 | 166.4 | 0 | 0 | 0 | 110.4 | L13 E14 S15 Q20 I21 L58 L61 V67 I68 A71 | L13-I17 HydrophobicContact CD1-CD1 4.19Å; L13-I17 HydrophobicContact CD1-CG1 4.49Å; L13-I17 HydrophobicContact CG-CD1 4.02Å; L13-I17 WeakPolarHBondContact O-CG1 3.38Å; L13-I17 PolarHBondContact O-N 3.05Å; E14-I17 WeakPolarHBondContact O-CB 3.37Å; E14-I17 PolarHBondContact O-N 3.3Å; E14-I17 VanDerWaalsContact O-N 3.12Å; S15-I17 PolarHBondContact O-N 2.96Å; I17-Q20 PolarHBondContact O-N 3.29Å; I17-Q20 VanDerWaalsContact O-N 3.16Å; I17-I21 HydrophobicContact CG2-CD1 3.86Å; I17-I21 WeakPolarHBondContact O-CG1 3.22Å; I17-I21 PolarHBondContact O-N 3.04Å; I17-L58 HydrophobicContact CB-CD1 4.5Å; I17-L58 HydrophobicContact CG1-CD1 4.29Å; I17-L58 HydrophobicContact CG2-CD1 3.96Å; I17-L61 HydrophobicContact CG1-CB 3.91Å; I17-L61 HydrophobicContact CG1-CD1 4.22Å; I17-V67 HydrophobicContact CD1-CG1 3.97Å; I17-I68 HydrophobicContact CG2-CG1 4.26Å; I17-I68 HydrophobicContact CG2-CG2 4.35Å; I17-A71 HydrophobicContact CB-CB 4.2Å; I17-A71 HydrophobicContact CG2-CB 3.96Å |
| 18 | C | 90.4 | Very high | 84.8 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.6 | -56.6 | 177.4 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | E14 S15 Q20 I21 E22 A71 | E14-C18 PolarHBondContact O-N 3.09Å; E14-C18 PolarHBondContact O-SG 3.08Å; E14-C18 VanDerWaalsContact O-SG 3.35Å; S15-C18 PolarHBondContact O-N 3.38Å; C18-Q20 PolarHBondContact O-N 2.87Å; C18-Q20 VanDerWaalsContact O-N 3.15Å; C18-I21 PolarHBondContact O-N 2.92Å; C18-I21 VanDerWaalsContact O-N 3.14Å; C18-E22 VanDerWaalsContact O-CB 3.3Å; C18-E22 WeakPolarHBondContact O-CB 3.39Å; C18-E22 WeakPolarHBondContact O-CG 3.46Å; C18-E22 PolarHBondContact O-N 2.77Å; C18-A71 PolarHBondContact SG-O 3.27Å |
| 19 | Q | 88.4 | Confident | 86.3 | Confident | 81 Ų | 81 | 45.5 Ų | 45.5 | 38% | 0.379 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -54.7 | -37.2 | 177.7 | -71.2 | 178.2 | 9.5 | 0 | 0 | 112.6 | S15 Y23 | S15-Q19 WeakPolarHBondContact O-CB 3.46Å; S15-Q19 VanDerWaalsContact O-CG 3.29Å; S15-Q19 WeakPolarHBondContact O-CG 3.4Å; S15-Q19 PolarHBondContact O-N 3.08Å; Q19-Y23 WeakPolarHBondContact O-CB 3.25Å; Q19-Y23 PolarHBondContact O-N 3.14Å |
| 20 | Q | 91 | Very high | 87.7 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.6 | -36.8 | -178.2 | -172.7 | 53 | 85.5 | 0 | 0 | 112.5 | K16 I17 C18 Y24 R57 L61 | K16-Q20 VanDerWaalsContact O-CB 3.24Å; K16-Q20 WeakPolarHBondContact O-CB 3.27Å; K16-Q20 PolarHBondContact O-N 3.24Å; K16-Q20 VanDerWaalsContact O-N 3.09Å; I17-Q20 PolarHBondContact O-N 3.29Å; I17-Q20 VanDerWaalsContact O-N 3.16Å; C18-Q20 PolarHBondContact O-N 2.87Å; C18-Q20 VanDerWaalsContact O-N 3.15Å; Q20-Y24 HydrophobicContact CG-CE2 3.86Å; Q20-Y24 VanDerWaalsContact NE2-CZ 3.26Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.25Å; Q20-Y24 VanDerWaalsContact O-CG 3.32Å; Q20-Y24 PolarHBondContact O-N 2.77Å; Q20-R57 HydrophobicContact CG-CB 4.09Å; Q20-R57 VanDerWaalsContact OE1-CD 3.26Å; Q20-R57 VanDerWaalsContact OE1-NE 3.12Å; Q20-L61 HydrophobicContact CB-CD1 4.22Å |
| 21 | I | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -73.2 | -46.5 | 175.8 | -66.7 | 174.9 | 0 | 0 | 0 | 110.2 | I17 C18 Y23 Y24 F25 M52 L58 I68 L72 M80 I89 | I17-I21 HydrophobicContact CG2-CD1 3.86Å; I17-I21 WeakPolarHBondContact O-CG1 3.22Å; I17-I21 PolarHBondContact O-N 3.04Å; C18-I21 PolarHBondContact O-N 2.92Å; C18-I21 VanDerWaalsContact O-N 3.14Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.44Å; I21-Y24 WeakPolarHBondContact O-CB 3.3Å; I21-Y24 PolarHBondContact O-N 3.48Å; I21-F25 HydrophobicContact CG2-CD2 3.96Å; I21-F25 HydrophobicContact CG2-CE2 4.13Å; I21-F25 WeakPolarHBondContact O-CD2 3.49Å; I21-F25 PolarHBondContact O-N 3.1Å; I21-M52 HydrophobicContact CG1-CE 4.42Å; I21-L58 HydrophobicContact CD1-CD1 4.09Å; I21-L58 HydrophobicContact CD1-CD2 3.94Å; I21-L58 HydrophobicContact CG1-CD1 4.12Å; I21-L58 HydrophobicContact CG1-CD2 3.9Å; I21-I68 HydrophobicContact CD1-CG2 3.56Å; I21-L72 HydrophobicContact CB-CD2 4.18Å; I21-L72 HydrophobicContact CD1-CD1 3.94Å; I21-L72 HydrophobicContact CD1-CD2 4.16Å; I21-L72 HydrophobicContact CD1-CG 4.18Å; I21-L72 HydrophobicContact CG2-CD1 4.43Å; I21-L72 HydrophobicContact CG2-CD2 4.02Å; I21-M80 HydrophobicContact CG2-CE 3.91Å; I21-M80 HydrophobicContact CG2-CG 4.13Å; I21-M80 HydrophobicContact CG2-SD 4.24Å; I21-I89 HydrophobicContact CD1-CD1 4.39Å; I21-I89 HydrophobicContact CG2-CD1 3.77Å |
| 22 | E | 90.5 | Very high | 88.6 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.6 | -39 | 175.1 | -70.5 | 168.1 | 175 | 0 | 0 | 111.7 | C18 Y24 G26 S75 T77 L79 M80 | C18-E22 VanDerWaalsContact O-CB 3.3Å; C18-E22 WeakPolarHBondContact O-CB 3.39Å; C18-E22 WeakPolarHBondContact O-CG 3.46Å; C18-E22 PolarHBondContact O-N 2.77Å; E22-Y24 PolarHBondContact O-N 2.97Å; E22-G26 VanDerWaalsContact O-CA 3.24Å; E22-G26 WeakPolarHBondContact O-CA 3.37Å; E22-G26 PolarHBondContact O-N 2.88Å; E22-S75 PolarHBondContact OE1-OG 3.17Å; E22-T77 VanDerWaalsContact CD-OG1 3.26Å; E22-T77 VanDerWaalsContact OE1-CG2 3.32Å; E22-T77 WeakPolarHBondContact OE1-CG2 3.5Å; E22-T77 PolarHBondContact OE1-OG1 2.76Å; E22-T77 WeakPolarHBondContact OE2-CG2 3.49Å; E22-L79 HydrophobicContact CB-CD2 4.17Å; E22-L79 HydrophobicContact CG-CD2 4.37Å; E22-M80 HydrophobicContact CG-CG 4.47Å |
| 23 | Y | 90.3 | Very high | 88.8 | Confident | 76 Ų | 76 | 37 Ų | 37 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 172.3 | 177.3 | -90.1 | 0 | 0 | 0 | 112.6 | Q19 I21 G26 N29 N139 | Q19-Y23 WeakPolarHBondContact O-CB 3.25Å; Q19-Y23 PolarHBondContact O-N 3.14Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.44Å; Y23-G26 PolarHBondContact O-N 2.96Å; Y23-N29 HydrophobicContact CD1-CB 4.45Å; Y23-N29 HydrophobicContact CE1-CB 4.07Å; Y23-N29 WeakPolarHBondContact O-CB 3.39Å; Y23-N139 PolarHBondContact OH-OD1 3.31Å |
| 24 | Y | 91.1 | Very high | 88.9 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 8% | 0.078 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -44.5 | -179.8 | -68 | -39 | 0 | 0 | 0 | 112.5 | Q20 I21 E22 G26 N29 L36 M52 F55 R57 L58 | Q20-Y24 HydrophobicContact CG-CE2 3.86Å; Q20-Y24 VanDerWaalsContact NE2-CZ 3.26Å; Q20-Y24 WeakPolarHBondContact O-CD2 3.25Å; Q20-Y24 VanDerWaalsContact O-CG 3.32Å; Q20-Y24 PolarHBondContact O-N 2.77Å; I21-Y24 WeakPolarHBondContact O-CB 3.3Å; I21-Y24 PolarHBondContact O-N 3.48Å; E22-Y24 PolarHBondContact O-N 2.97Å; Y24-G26 VanDerWaalsContact C-N 3.32Å; Y24-N29 PolarHBondContact O-ND2 3.49Å; Y24-L36 VanDerWaalsContact O-CD2 3.25Å; Y24-L36 WeakPolarHBondContact O-CD2 3.44Å; Y24-M52 HydrophobicContact CD2-CE 3.95Å; Y24-F55 HydrophobicContact CD1-CD1 4.3Å; Y24-F55 HydrophobicContact CD2-CD1 4.24Å; Y24-F55 AromaticContact CE1-CD1 3.99Å; Y24-F55 HydrophobicContact CE1-CD1 3.99Å; Y24-F55 HydrophobicContact CE2-CB 3.79Å; Y24-F55 AromaticContact CE2-CD1 3.91Å; Y24-F55 HydrophobicContact CE2-CD1 3.91Å; Y24-F55 HydrophobicContact CE2-CG 4.01Å; Y24-F55 HydrophobicContact CG-CD1 4.43Å; Y24-F55 AromaticContact CZ-CD1 3.77Å; Y24-R57 WeakPolarHBondContact OH-CB 3.47Å; Y24-L58 HydrophobicContact CE2-CB 4.25Å |
| 25 | F | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -83.9 | -6.3 | 177.2 | -71.8 | -90.6 | 0 | 0 | 0 | 113.4 | I21 L30 L36 I40 V47 M52 M80 I89 R91 | I21-F25 HydrophobicContact CG2-CD2 3.96Å; I21-F25 HydrophobicContact CG2-CE2 4.13Å; I21-F25 WeakPolarHBondContact O-CD2 3.49Å; I21-F25 PolarHBondContact O-N 3.1Å; F25-L30 WeakPolarHBondContact O-CD2 3.46Å; F25-L36 HydrophobicContact CD1-CD2 4.32Å; F25-L36 HydrophobicContact CE1-CD1 4.14Å; F25-L36 HydrophobicContact CE1-CD2 4.41Å; F25-L36 HydrophobicContact CE1-CG 4.48Å; F25-L36 HydrophobicContact CE2-CD1 4.45Å; F25-L36 HydrophobicContact CG-CD2 4.39Å; F25-L36 HydrophobicContact CZ-CD1 3.92Å; F25-I40 HydrophobicContact CD1-CD1 4.04Å; F25-I40 HydrophobicContact CE1-CD1 3.82Å; F25-I40 HydrophobicContact CE1-CG1 4.22Å; F25-V47 HydrophobicContact CE1-CG2 3.99Å; F25-V47 HydrophobicContact CZ-CB 4.11Å; F25-V47 HydrophobicContact CZ-CG2 3.88Å; F25-M52 HydrophobicContact CE2-CE 3.74Å; F25-M52 HydrophobicContact CE2-SD 3.86Å; F25-M52 HydrophobicContact CZ-SD 4.07Å; F25-M80 HydrophobicContact CB-CE 4.31Å; F25-M80 HydrophobicContact CB-SD 3.67Å; F25-M80 HydrophobicContact CD1-CE 4.05Å; F25-M80 HydrophobicContact CD1-SD 4.42Å; F25-M80 HydrophobicContact CD2-CE 3.35Å; F25-M80 HydrophobicContact CD2-SD 3.74Å; F25-M80 HydrophobicContact CE1-CE 4.16Å; F25-M80 HydrophobicContact CE2-CE 3.5Å; F25-M80 HydrophobicContact CE2-SD 4.49Å; F25-M80 HydrophobicContact CG-CE 3.64Å; F25-M80 HydrophobicContact CG-SD 3.69Å; F25-M80 HydrophobicContact CZ-CE 3.91Å; F25-I89 HydrophobicContact CE2-CD1 4.12Å; F25-I89 HydrophobicContact CE2-CG1 4.42Å; F25-I89 HydrophobicContact CZ-CG1 4.38Å; F25-R91 HydrophobicContact CB-CB 4.33Å; F25-R91 HydrophobicContact CD1-CB 4.03Å; F25-R91 WeakPolarHBondContact O-CD 3.46Å; F25-R91 PolarHBondContact O-NH1 3.28Å |
| 26 | G | 88.1 | Confident | 89.2 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -73 | 165 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E22 Y23 Y24 H28 N29 L30 | E22-G26 VanDerWaalsContact O-CA 3.24Å; E22-G26 WeakPolarHBondContact O-CA 3.37Å; E22-G26 PolarHBondContact O-N 2.88Å; Y23-G26 PolarHBondContact O-N 2.96Å; Y24-G26 VanDerWaalsContact C-N 3.32Å; G26-H28 PolarHBondContact O-N 3.11Å; G26-H28 VanDerWaalsContact O-N 3.13Å; G26-N29 PolarHBondContact O-N 2.95Å; G26-L30 WeakPolarHBondContact O-CB 3.15Å; G26-L30 PolarHBondContact O-N 3Å |
| 27 | D | 87.4 | Confident | 89.3 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 24% | 0.235 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -25.1 | -167.4 | -61.8 | -8.1 | 0 | 0 | 0 | 114.3 | P31 R91 P98 Y104 | D27-P31 WeakPolarHBondContact O-CD 3.48Å; D27-P31 VanDerWaalsContact O-CG 3.23Å; D27-P31 WeakPolarHBondContact O-CG 3.37Å; D27-R91 IonicContact OD1-CZ 2.66Å; D27-R91 IonicContact OD1-NH1 2.62Å; D27-R91 PolarHBondContact OD1-NH1 3.41Å; D27-R91 IonicContact OD1-NH2 3.95Å; D27-R91 PolarHBondContact OD1-NH2 2.98Å; D27-P98 HydrophobicContact CB-CG 4.01Å; D27-P98 WeakPolarHBondContact OD1-CD 3.46Å; D27-P98 VanDerWaalsContact OD2-CD 3.28Å; D27-P98 WeakPolarHBondContact OD2-CD 3.18Å; D27-P98 WeakPolarHBondContact OD2-CG 3.41Å; D27-Y104 WeakPolarHBondContact CB-OH 3.37Å |
| 28 | H | 84.1 | Confident | 89.3 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.065 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -34.8 | 178.7 | -69.6 | -83.7 | 0 | 0 | 0 | 114.1 | G26 E138 N139 | G26-H28 PolarHBondContact O-N 3.11Å; G26-H28 VanDerWaalsContact O-N 3.13Å; H28-E138 IonicContact CD2-OE1 2.6Å; H28-E138 PolarHBondContact CD2-OE1 3.24Å; H28-E138 IonicContact CD2-OE2 3.17Å; H28-E138 IonicContact NE2-OE1 3.87Å; H28-E138 PolarHBondContact NE2-OE1 2.76Å; H28-E138 IonicContact NE2-OE2 3Å; H28-E138 PolarHBondContact NE2-OE2 3.46Å; H28-N139 HydrophobicContact CB-CB 3.99Å; H28-N139 WeakPolarHBondContact CB-ND2 3.15Å; H28-N139 PolarHBondContact ND1-ND2 2.91Å |
| 29 | N | 88.9 | Confident | 89.3 | Confident | 28 Ų | 28 | 47.5 Ų | 47.5 | 15% | 0.15 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -51.3 | -175.1 | -172.4 | 75.4 | 0 | 0 | 0 | 111.2 | Y23 Y24 G26 R32 D33 | Y23-N29 HydrophobicContact CD1-CB 4.45Å; Y23-N29 HydrophobicContact CE1-CB 4.07Å; Y23-N29 WeakPolarHBondContact O-CB 3.39Å; Y24-N29 PolarHBondContact O-ND2 3.49Å; G26-N29 PolarHBondContact O-N 2.95Å; N29-R32 CarbonylContact O-C 3.5Å; N29-R32 WeakPolarHBondContact O-CA 3.36Å; N29-R32 WeakPolarHBondContact O-CB 3.33Å; N29-R32 PolarHBondContact O-N 3.18Å; N29-D33 PolarHBondContact ND2-OD2 3.11Å; N29-D33 PolarHBondContact O-N 3.09Å |
| 30 | L | 88.1 | Confident | 89.4 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -42.2 | -169.1 | 177.3 | 58.4 | 0 | 0 | 0 | 113.5 | F25 G26 R32 D33 L36 K37 I40 L97 | F25-L30 WeakPolarHBondContact O-CD2 3.46Å; G26-L30 WeakPolarHBondContact O-CB 3.15Å; G26-L30 PolarHBondContact O-N 3Å; L30-R32 PolarHBondContact O-N 2.96Å; L30-R32 VanDerWaalsContact O-N 3.17Å; L30-D33 PolarHBondContact O-N 2.86Å; L30-L36 HydrophobicContact CD1-CB 4.36Å; L30-L36 HydrophobicContact CD1-CD2 3.91Å; L30-L36 HydrophobicContact CD1-CG 3.98Å; L30-K37 HydrophobicContact CD1-CG 4.02Å; L30-K37 VanDerWaalsContact O-CD 3.25Å; L30-K37 WeakPolarHBondContact O-CD 3.35Å; L30-K37 VanDerWaalsContact O-CG 3.22Å; L30-K37 WeakPolarHBondContact O-CG 3.46Å; L30-I40 HydrophobicContact CD1-CD1 3.43Å; L30-I40 VanDerWaalsContact CD1-CD1 3.43Å; L30-I40 HydrophobicContact CD2-CD1 4.16Å; L30-I40 HydrophobicContact CG-CD1 4.46Å; L30-L97 HydrophobicContact CB-CD2 4.36Å; L30-L97 HydrophobicContact CD2-CD1 3.9Å; L30-L97 HydrophobicContact CD2-CD2 4.18Å; L30-L97 HydrophobicContact CD2-CG 4.19Å; L30-L97 HydrophobicContact CG-CD1 4.05Å; L30-L97 HydrophobicContact CG-CD2 4.46Å |
| 31 | P | 86.8 | Confident | 89.3 | Confident | 31 Ų | 31 | 53.5 Ų | 53.5 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.7 | 174 | -25.9 | 37.2 | 0 | 0 | 0 | 114.8 | D27 K37 L97 L100 | D27-P31 WeakPolarHBondContact O-CD 3.48Å; D27-P31 VanDerWaalsContact O-CG 3.23Å; D27-P31 WeakPolarHBondContact O-CG 3.37Å; P31-K37 WeakPolarHBondContact O-CE 3.11Å; P31-K37 PolarHBondContact O-NZ 2.8Å; P31-L97 HydrophobicContact CG-CD1 4.28Å; P31-L97 HydrophobicContact CG-CD2 3.89Å; P31-L100 HydrophobicContact CB-CD1 4.2Å |
| 32 | R | 84.8 | Confident | 89.2 | Confident | 147 Ų | 147 | 59.7 Ų | 59.7 | 56% | 0.555 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -34.8 | -178.9 | -62.3 | -177.4 | 177.8 | -173.2 | 2.7 | 112.7 | N29 L30 K34 | N29-R32 CarbonylContact O-C 3.5Å; N29-R32 WeakPolarHBondContact O-CA 3.36Å; N29-R32 WeakPolarHBondContact O-CB 3.33Å; N29-R32 PolarHBondContact O-N 3.18Å; L30-R32 PolarHBondContact O-N 2.96Å; L30-R32 VanDerWaalsContact O-N 3.17Å; R32-K34 PolarHBondContact O-N 3.07Å; R32-K34 VanDerWaalsContact O-N 3.08Å |
| 33 | D | 90.3 | Very high | 89.1 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | trans | -71.1 | 100.7 | -176.7 | -164.5 | -34.1 | 0 | 0 | 0 | 111.3 | N29 L30 F35 L36 K37 | N29-D33 PolarHBondContact ND2-OD2 3.11Å; N29-D33 PolarHBondContact O-N 3.09Å; L30-D33 PolarHBondContact O-N 2.86Å; D33-F35 VanDerWaalsContact C-N 3.34Å; D33-F35 PolarHBondContact OD1-N 3.48Å; D33-F35 VanDerWaalsContact OD1-N 3.1Å; D33-L36 HydrophobicContact CB-CB 4.02Å; D33-L36 PolarHBondContact OD1-N 2.99Å; D33-K37 WeakPolarHBondContact O-CB 3.32Å; D33-K37 WeakPolarHBondContact O-CE 3.41Å; D33-K37 VanDerWaalsContact O-CG 3.31Å; D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.39Å; D33-K37 VanDerWaalsContact O-N 3.16Å | ||
| 34 | K | 89.9 | Confident | 88.8 | Confident | 156 Ų | 156 | 63.9 Ų | 63.9 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63 | -41.6 | 179.3 | -68.1 | -175.6 | -179.9 | -177 | 0 | 111.7 | R32 K37 E38 | R32-K34 PolarHBondContact O-N 3.07Å; R32-K34 VanDerWaalsContact O-N 3.08Å; K34-K37 PolarHBondContact O-N 3.35Å; K34-E38 WeakPolarHBondContact O-CB 3.37Å; K34-E38 VanDerWaalsContact O-CG 3.29Å; K34-E38 WeakPolarHBondContact O-CG 3.44Å; K34-E38 PolarHBondContact O-N 2.82Å |
| 35 | F | 92.1 | Very high | 88.5 | Confident | 90 Ų | 90 | 63.7 Ų | 63.7 | 40% | 0.395 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -49.9 | -177.3 | 176.8 | -104.4 | 0 | 0 | 0 | 110.8 | D33 K37 E38 Q39 I51 F55 | D33-F35 VanDerWaalsContact C-N 3.34Å; D33-F35 PolarHBondContact OD1-N 3.48Å; D33-F35 VanDerWaalsContact OD1-N 3.1Å; F35-K37 VanDerWaalsContact C-N 3.34Å; F35-K37 PolarHBondContact O-N 2.94Å; F35-E38 WeakPolarHBondContact O-CB 3.32Å; F35-E38 PolarHBondContact O-N 2.91Å; F35-E38 VanDerWaalsContact O-N 3.1Å; F35-Q39 HydrophobicContact CE1-CG 4.14Å; F35-Q39 HydrophobicContact CE2-CG 4.32Å; F35-Q39 HydrophobicContact CZ-CG 4.03Å; F35-Q39 WeakPolarHBondContact O-CG 3.28Å; F35-Q39 PolarHBondContact O-N 2.98Å; F35-I51 HydrophobicContact CE1-CG2 3.66Å; F35-I51 HydrophobicContact CZ-CG2 3.65Å; F35-F55 HydrophobicContact CD1-CE2 4.23Å; F35-F55 AromaticContact CD1-CZ 3.78Å; F35-F55 HydrophobicContact CD1-CZ 3.78Å; F35-F55 AromaticContact CE1-CE2 3.89Å; F35-F55 HydrophobicContact CE1-CE2 3.89Å; F35-F55 AromaticContact CE1-CZ 3.93Å; F35-F55 HydrophobicContact CE1-CZ 3.93Å |
| 36 | L | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | -179.9 | -169.1 | 62 | 0 | 0 | 0 | 112.1 | Y24 F25 L30 D33 E38 Q39 I40 V47 F55 | Y24-L36 VanDerWaalsContact O-CD2 3.25Å; Y24-L36 WeakPolarHBondContact O-CD2 3.44Å; F25-L36 HydrophobicContact CD1-CD2 4.32Å; F25-L36 HydrophobicContact CE1-CD1 4.14Å; F25-L36 HydrophobicContact CE1-CD2 4.41Å; F25-L36 HydrophobicContact CE1-CG 4.48Å; F25-L36 HydrophobicContact CE2-CD1 4.45Å; F25-L36 HydrophobicContact CG-CD2 4.39Å; F25-L36 HydrophobicContact CZ-CD1 3.92Å; L30-L36 HydrophobicContact CD1-CB 4.36Å; L30-L36 HydrophobicContact CD1-CD2 3.91Å; L30-L36 HydrophobicContact CD1-CG 3.98Å; D33-L36 HydrophobicContact CB-CB 4.02Å; D33-L36 PolarHBondContact OD1-N 2.99Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 2.92Å; L36-Q39 PolarHBondContact O-N 3.31Å; L36-I40 HydrophobicContact CD1-CD1 4.46Å; L36-I40 HydrophobicContact CG-CD1 3.96Å; L36-I40 WeakPolarHBondContact O-CB 3.29Å; L36-I40 WeakPolarHBondContact O-CD1 3.47Å; L36-I40 WeakPolarHBondContact O-CG1 3.27Å; L36-I40 PolarHBondContact O-N 2.68Å; L36-V47 HydrophobicContact CD1-CG1 4.44Å; L36-V47 HydrophobicContact CD1-CG2 4.15Å; L36-F55 HydrophobicContact CD1-CZ 4.14Å |
| 37 | K | 89.9 | Confident | 88.8 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.5 | -31.4 | 172.6 | -76.3 | -179.3 | -66.1 | 177.8 | 0 | 114 | L30 P31 D33 K34 F35 K41 | L30-K37 HydrophobicContact CD1-CG 4.02Å; L30-K37 VanDerWaalsContact O-CD 3.25Å; L30-K37 WeakPolarHBondContact O-CD 3.35Å; L30-K37 VanDerWaalsContact O-CG 3.22Å; L30-K37 WeakPolarHBondContact O-CG 3.46Å; P31-K37 WeakPolarHBondContact O-CE 3.11Å; P31-K37 PolarHBondContact O-NZ 2.8Å; D33-K37 WeakPolarHBondContact O-CB 3.32Å; D33-K37 WeakPolarHBondContact O-CE 3.41Å; D33-K37 VanDerWaalsContact O-CG 3.31Å; D33-K37 WeakPolarHBondContact O-CG 3.37Å; D33-K37 PolarHBondContact O-N 3.39Å; D33-K37 VanDerWaalsContact O-N 3.16Å; K34-K37 PolarHBondContact O-N 3.35Å; F35-K37 VanDerWaalsContact C-N 3.34Å; F35-K37 PolarHBondContact O-N 2.94Å; K37-K41 WeakPolarHBondContact O-CD 3.29Å; K37-K41 VanDerWaalsContact O-CG 3.28Å; K37-K41 WeakPolarHBondContact O-CG 3.48Å |
| 38 | E | 91.6 | Very high | 89.1 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 54% | 0.537 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -70.1 | -45.5 | 174.2 | -77.1 | 161.3 | -162.5 | 0 | 0 | 110.1 | K34 F35 L36 K41 | K34-E38 WeakPolarHBondContact O-CB 3.37Å; K34-E38 VanDerWaalsContact O-CG 3.29Å; K34-E38 WeakPolarHBondContact O-CG 3.44Å; K34-E38 PolarHBondContact O-N 2.82Å; F35-E38 WeakPolarHBondContact O-CB 3.32Å; F35-E38 PolarHBondContact O-N 2.91Å; F35-E38 VanDerWaalsContact O-N 3.1Å; L36-E38 VanDerWaalsContact C-N 3.32Å; L36-E38 PolarHBondContact O-N 2.92Å; E38-K41 PolarHBondContact O-N 3.34Å |
| 39 | Q | 90.6 | Very high | 89.5 | Confident | 35 Ų | 35 | 64 Ų | 64 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 178.2 | -59.6 | -50.8 | -53.5 | 0 | 0 | 112.9 | F35 L36 K41 L42 V47 I51 | F35-Q39 HydrophobicContact CE1-CG 4.14Å; F35-Q39 HydrophobicContact CE2-CG 4.32Å; F35-Q39 HydrophobicContact CZ-CG 4.03Å; F35-Q39 WeakPolarHBondContact O-CG 3.28Å; F35-Q39 PolarHBondContact O-N 2.98Å; L36-Q39 PolarHBondContact O-N 3.31Å; Q39-K41 PolarHBondContact O-N 3.26Å; Q39-K41 VanDerWaalsContact O-N 3.12Å; Q39-L42 WeakPolarHBondContact O-CB 3.47Å; Q39-L42 PolarHBondContact O-N 2.91Å; Q39-V47 HydrophobicContact CB-CG1 4.39Å; Q39-V47 HydrophobicContact CB-CG2 4.23Å; Q39-I51 HydrophobicContact CG-CD1 4.38Å; Q39-I51 HydrophobicContact CG-CG2 4.22Å |
| 40 | I | 89.8 | Confident | 89.6 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -27.4 | 178 | -77.1 | 166.8 | 0 | 0 | 0 | 112.5 | F25 L30 L36 G45 V47 | F25-I40 HydrophobicContact CD1-CD1 4.04Å; F25-I40 HydrophobicContact CE1-CD1 3.82Å; F25-I40 HydrophobicContact CE1-CG1 4.22Å; L30-I40 HydrophobicContact CD1-CD1 3.43Å; L30-I40 VanDerWaalsContact CD1-CD1 3.43Å; L30-I40 HydrophobicContact CD2-CD1 4.16Å; L30-I40 HydrophobicContact CG-CD1 4.46Å; L36-I40 HydrophobicContact CD1-CD1 4.46Å; L36-I40 HydrophobicContact CG-CD1 3.96Å; L36-I40 WeakPolarHBondContact O-CB 3.29Å; L36-I40 WeakPolarHBondContact O-CD1 3.47Å; L36-I40 WeakPolarHBondContact O-CG1 3.27Å; L36-I40 PolarHBondContact O-N 2.68Å; I40-G45 VanDerWaalsContact O-CA 3.24Å; I40-G45 WeakPolarHBondContact O-CA 3.43Å; I40-G45 PolarHBondContact O-N 3.38Å; I40-V47 HydrophobicContact CG1-CG2 3.71Å |
| 41 | K | 88.7 | Confident | 89.8 | Confident | 175 Ų | 175 | 69.2 Ų | 69.2 | 76% | 0.761 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.7 | 178.5 | -73 | 173.7 | -179.7 | -171.6 | 0 | 114.5 | K37 E38 Q39 | K37-K41 WeakPolarHBondContact O-CD 3.29Å; K37-K41 VanDerWaalsContact O-CG 3.28Å; K37-K41 WeakPolarHBondContact O-CG 3.48Å; E38-K41 PolarHBondContact O-N 3.34Å; Q39-K41 PolarHBondContact O-N 3.26Å; Q39-K41 VanDerWaalsContact O-N 3.12Å |
| 42 | L | 89.7 | Confident | 90 | Very high | 131 Ų | 131 | 67.8 Ų | 67.8 | 69% | 0.686 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -29.7 | -176.2 | -61.8 | 175.5 | 0 | 0 | 0 | 112.8 | Q39 | Q39-L42 WeakPolarHBondContact O-CB 3.47Å; Q39-L42 PolarHBondContact O-N 2.91Å |
| 43 | D | 87.9 | Confident | 90.4 | Very high | 61 Ų | 61 | 63 Ų | 63 | 33% | 0.326 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.3 | 57.7 | -164 | -169 | 25.8 | 0 | 0 | 0 | 111.9 | G45 W46 K88 | D43-G45 VanDerWaalsContact C-N 3.25Å; D43-G45 PolarHBondContact O-N 3.04Å; D43-W46 HydrophobicContact CB-CB 4.37Å; D43-W46 VanDerWaalsContact O-CB 3.23Å; D43-W46 WeakPolarHBondContact O-CB 3.48Å; D43-W46 VanDerWaalsContact O-CD1 3.24Å; D43-W46 PolarHBondContact O-N 2.99Å; D43-K88 IonicContact OD1-NZ 3.87Å; D43-K88 WeakPolarHBondContact OD2-CD 3.42Å; D43-K88 WeakPolarHBondContact OD2-CE 3.36Å; D43-K88 IonicContact OD2-NZ 3Å; D43-K88 PolarHBondContact OD2-NZ 2.65Å |
| 44 | D | 84.2 | Confident | 90.5 | Very high | 130 Ų | 130 | 68 Ų | 68 | 70% | 0.695 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 42.4 | 177.4 | -164.9 | 47 | 0 | 0 | 0 | 115.2 | W46 R90 | D44-W46 VanDerWaalsContact C-N 3.29Å; D44-W46 PolarHBondContact O-N 3.35Å; D44-R90 IonicContact OD2-NH1 3.73Å; D44-R90 PolarHBondContact OD2-NH1 2.7Å |
| 45 | G | 84.9 | Confident | 90.6 | Very high | 16 Ų | 16 | 61.8 Ų | 61.8 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -8.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | I40 D43 R90 | I40-G45 VanDerWaalsContact O-CA 3.24Å; I40-G45 WeakPolarHBondContact O-CA 3.43Å; I40-G45 PolarHBondContact O-N 3.38Å; D43-G45 VanDerWaalsContact C-N 3.25Å; D43-G45 PolarHBondContact O-N 3.04Å; G45-R90 WeakPolarHBondContact O-CB 3.48Å |
| 46 | W | 91.9 | Very high | 90.5 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | trans | -70.9 | 133.7 | 175.8 | -64.2 | 107.5 | 0 | 0 | 0 | 112.3 | D43 D44 E81 N83 K88 R90 | D43-W46 HydrophobicContact CB-CB 4.37Å; D43-W46 VanDerWaalsContact O-CB 3.23Å; D43-W46 WeakPolarHBondContact O-CB 3.48Å; D43-W46 VanDerWaalsContact O-CD1 3.24Å; D43-W46 PolarHBondContact O-N 2.99Å; D44-W46 VanDerWaalsContact C-N 3.29Å; D44-W46 PolarHBondContact O-N 3.35Å; W46-E81 HydrophobicContact CH2-CB 4.32Å; W46-N83 HydrophobicContact CE3-CB 4.11Å; W46-N83 HydrophobicContact CH2-CB 3.94Å; W46-N83 HydrophobicContact CZ2-CB 4.43Å; W46-N83 HydrophobicContact CZ3-CB 3.77Å; W46-N83 VanDerWaalsContact CZ3-N 3.25Å; W46-K88 HydrophobicContact CB-CB 4.16Å; W46-K88 HydrophobicContact CB-CD 3.88Å; W46-K88 HydrophobicContact CD2-CB 4.43Å; W46-K88 HydrophobicContact CE3-CB 3.91Å; W46-K88 HydrophobicContact CG-CD 4.43Å; W46-R90 HydrophobicContact CD2-CB 4.12Å; W46-R90 HydrophobicContact CD2-CG 4.05Å; W46-R90 HydrophobicContact CE3-CB 3.79Å; W46-R90 HydrophobicContact CE3-CG 3.77Å; W46-R90 HydrophobicContact CH2-CG 3.92Å; W46-R90 HydrophobicContact CZ2-CG 4.19Å; W46-R90 HydrophobicContact CZ3-CB 4.16Å; W46-R90 HydrophobicContact CZ3-CG 3.7Å | ||
| 47 | V | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 119.5 | 174.9 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | F25 L36 Q39 I40 I51 M52 K88 I89 | F25-V47 HydrophobicContact CE1-CG2 3.99Å; F25-V47 HydrophobicContact CZ-CB 4.11Å; F25-V47 HydrophobicContact CZ-CG2 3.88Å; L36-V47 HydrophobicContact CD1-CG1 4.44Å; L36-V47 HydrophobicContact CD1-CG2 4.15Å; Q39-V47 HydrophobicContact CB-CG1 4.39Å; Q39-V47 HydrophobicContact CB-CG2 4.23Å; I40-V47 HydrophobicContact CG1-CG2 3.71Å; V47-I51 HydrophobicContact CG1-CB 4.19Å; V47-I51 HydrophobicContact CG1-CG2 4.38Å; V47-M52 HydrophobicContact CB-SD 4.45Å; V47-M52 HydrophobicContact CG1-CG 4.16Å; V47-M52 HydrophobicContact CG1-SD 3.76Å; V47-K88 WeakPolarHBondContact O-CA 3.24Å; V47-I89 PolarHBondContact N-O 3.43Å; V47-I89 PolarHBondContact O-N 3.28Å |
| 48 | P | 93.9 | Very high | 90.4 | Very high | 40 Ų | 40 | 63 Ų | 63 | 26% | 0.26 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 142.3 | 176.1 | -24.4 | 33.3 | 0 | 0 | 0 | 113 | E50 I51 M52 K88 | P48-E50 PolarHBondContact O-N 2.82Å; P48-I51 HydrophobicContact CB-CG1 4.31Å; P48-I51 HydrophobicContact CG-CD1 4.3Å; P48-I51 WeakPolarHBondContact O-CB 3.2Å; P48-I51 PolarHBondContact O-N 3.32Å; P48-M52 PolarHBondContact O-N 3.23Å; P48-K88 HydrophobicContact CG-CG 4.4Å |
| 49 | L | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61 | -30.1 | 177.6 | -70.7 | 176.8 | 0 | 0 | 0 | 112.7 | I51 M52 I53 F65 I68 V69 K86 T87 I89 | L49-I51 PolarHBondContact O-N 3.43Å; L49-M52 HydrophobicContact CD2-CB 4.45Å; L49-M52 HydrophobicContact CD2-CG 4.43Å; L49-M52 WeakPolarHBondContact O-CA 3.45Å; L49-M52 WeakPolarHBondContact O-CB 3.49Å; L49-M52 PolarHBondContact O-N 3.09Å; L49-I53 PolarHBondContact O-N 3.05Å; L49-F65 HydrophobicContact CB-CD1 3.74Å; L49-F65 HydrophobicContact CB-CE1 3.91Å; L49-F65 HydrophobicContact CB-CG 4.09Å; L49-F65 HydrophobicContact CB-CZ 4.41Å; L49-F65 HydrophobicContact CD1-CB 3.83Å; L49-F65 HydrophobicContact CD1-CD1 4.36Å; L49-F65 HydrophobicContact CD1-CG 4.12Å; L49-I68 HydrophobicContact CD2-CG2 3.87Å; L49-V69 HydrophobicContact CD1-CG2 3.73Å; L49-K86 VanDerWaalsContact CD1-O 3.24Å; L49-K86 WeakPolarHBondContact CD1-O 3.36Å; L49-T87 PolarHBondContact N-O 3.13Å; L49-I89 HydrophobicContact CD2-CD1 4.08Å; L49-I89 HydrophobicContact CD2-CG1 4.27Å; L49-I89 HydrophobicContact CD2-CG2 3.85Å; L49-I89 HydrophobicContact CG-CG2 4.49Å |
| 50 | E | 92.2 | Very high | 90.4 | Very high | 123 Ų | 123 | 67 Ų | 67 | 58% | 0.575 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -54 | -31.1 | 169.6 | -68.5 | -176.1 | -165.3 | 0 | 0 | 113.9 | P48 I53 K54 F65 | P48-E50 PolarHBondContact O-N 2.82Å; E50-I53 WeakPolarHBondContact O-CG1 3.02Å; E50-K54 VanDerWaalsContact O-CE 3.22Å; E50-K54 WeakPolarHBondContact O-CE 3.42Å; E50-K54 WeakPolarHBondContact O-CG 3.49Å; E50-F65 HydrophobicContact CG-CE2 4.3Å; E50-F65 HydrophobicContact CG-CZ 3.85Å |
| 51 | I | 92.4 | Very high | 90.4 | Very high | 24 Ų | 24 | 67.7 Ų | 67.7 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -83.7 | -39.3 | 176.5 | -54.7 | -170.8 | 0 | 0 | 0 | 109.7 | F35 Q39 V47 P48 L49 I53 K54 F55 | F35-I51 HydrophobicContact CE1-CG2 3.66Å; F35-I51 HydrophobicContact CZ-CG2 3.65Å; Q39-I51 HydrophobicContact CG-CD1 4.38Å; Q39-I51 HydrophobicContact CG-CG2 4.22Å; V47-I51 HydrophobicContact CG1-CB 4.19Å; V47-I51 HydrophobicContact CG1-CG2 4.38Å; P48-I51 HydrophobicContact CB-CG1 4.31Å; P48-I51 HydrophobicContact CG-CD1 4.3Å; P48-I51 WeakPolarHBondContact O-CB 3.2Å; P48-I51 PolarHBondContact O-N 3.32Å; L49-I51 PolarHBondContact O-N 3.43Å; I51-I53 PolarHBondContact O-N 2.62Å; I51-K54 WeakPolarHBondContact O-CB 3.18Å; I51-K54 PolarHBondContact O-N 2.73Å; I51-F55 HydrophobicContact CG2-CE2 4.44Å; I51-F55 WeakPolarHBondContact O-CD2 3.38Å |
| 52 | M | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -41.6 | 176.7 | -63.2 | -55.7 | -55.8 | 0 | 0 | 112.4 | I21 Y24 F25 V47 P48 L49 K54 F55 L58 I89 | I21-M52 HydrophobicContact CG1-CE 4.42Å; Y24-M52 HydrophobicContact CD2-CE 3.95Å; F25-M52 HydrophobicContact CE2-CE 3.74Å; F25-M52 HydrophobicContact CE2-SD 3.86Å; F25-M52 HydrophobicContact CZ-SD 4.07Å; V47-M52 HydrophobicContact CB-SD 4.45Å; V47-M52 HydrophobicContact CG1-CG 4.16Å; V47-M52 HydrophobicContact CG1-SD 3.76Å; P48-M52 PolarHBondContact O-N 3.23Å; L49-M52 HydrophobicContact CD2-CB 4.45Å; L49-M52 HydrophobicContact CD2-CG 4.43Å; L49-M52 WeakPolarHBondContact O-CA 3.45Å; L49-M52 WeakPolarHBondContact O-CB 3.49Å; L49-M52 PolarHBondContact O-N 3.09Å; M52-K54 PolarHBondContact O-N 2.62Å; M52-K54 VanDerWaalsContact O-N 3.13Å; M52-F55 WeakPolarHBondContact O-CB 3.37Å; M52-F55 WeakPolarHBondContact O-CD2 3.31Å; M52-F55 PolarHBondContact O-N 2.89Å; M52-F55 HydrophobicContact SD-CE2 4.18Å; M52-L58 HydrophobicContact CB-CD2 3.84Å; M52-L58 HydrophobicContact CE-CD2 4.22Å; M52-I89 HydrophobicContact CE-CD1 4.34Å; M52-I89 HydrophobicContact CG-CD1 3.89Å; M52-I89 HydrophobicContact CG-CG1 4.22Å; M52-I89 HydrophobicContact SD-CD1 4.37Å |
| 53 | I | 92 | Very high | 90.5 | Very high | 46 Ų | 46 | 60 Ų | 60 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -4.3 | 176.2 | 64.5 | 158.3 | 0 | 0 | 0 | 114.3 | L49 E50 I51 S59 F65 I68 | L49-I53 PolarHBondContact O-N 3.05Å; E50-I53 WeakPolarHBondContact O-CG1 3.02Å; I51-I53 PolarHBondContact O-N 2.62Å; I53-S59 WeakPolarHBondContact O-CB 3.03Å; I53-F65 HydrophobicContact CD1-CE1 3.85Å; I53-F65 HydrophobicContact CD1-CZ 4.24Å; I53-F65 HydrophobicContact CG1-CE1 4.12Å; I53-F65 HydrophobicContact CG2-CD1 4.22Å; I53-F65 HydrophobicContact CG2-CE1 3.84Å; I53-I68 HydrophobicContact CG2-CD1 3.88Å |
| 54 | K | 92.1 | Very high | 90.6 | Very high | 138 Ų | 138 | 62 Ų | 62 | 60% | 0.6 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.9 | 169 | -63.3 | 167.2 | -171.5 | 163.1 | 0 | 112.1 | E50 I51 M52 N56 | E50-K54 VanDerWaalsContact O-CE 3.22Å; E50-K54 WeakPolarHBondContact O-CE 3.42Å; E50-K54 WeakPolarHBondContact O-CG 3.49Å; I51-K54 WeakPolarHBondContact O-CB 3.18Å; I51-K54 PolarHBondContact O-N 2.73Å; M52-K54 PolarHBondContact O-N 2.62Å; M52-K54 VanDerWaalsContact O-N 3.13Å; K54-N56 PolarHBondContact O-N 3.24Å |
| 55 | F | 91.6 | Very high | 91 | Very high | 26 Ų | 26 | 59.5 Ų | 59.5 | 11% | 0.114 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -75.3 | 117.5 | 176.3 | -73.9 | -106.7 | 0 | 0 | 0 | 111.1 | Y24 F35 L36 I51 M52 R57 L58 S59 | Y24-F55 HydrophobicContact CD1-CD1 4.3Å; Y24-F55 HydrophobicContact CD2-CD1 4.24Å; Y24-F55 AromaticContact CE1-CD1 3.99Å; Y24-F55 HydrophobicContact CE1-CD1 3.99Å; Y24-F55 HydrophobicContact CE2-CB 3.79Å; Y24-F55 AromaticContact CE2-CD1 3.91Å; Y24-F55 HydrophobicContact CE2-CD1 3.91Å; Y24-F55 HydrophobicContact CE2-CG 4.01Å; Y24-F55 HydrophobicContact CG-CD1 4.43Å; Y24-F55 AromaticContact CZ-CD1 3.77Å; F35-F55 HydrophobicContact CD1-CE2 4.23Å; F35-F55 AromaticContact CD1-CZ 3.78Å; F35-F55 HydrophobicContact CD1-CZ 3.78Å; F35-F55 AromaticContact CE1-CE2 3.89Å; F35-F55 HydrophobicContact CE1-CE2 3.89Å; F35-F55 AromaticContact CE1-CZ 3.93Å; F35-F55 HydrophobicContact CE1-CZ 3.93Å; L36-F55 HydrophobicContact CD1-CZ 4.14Å; I51-F55 HydrophobicContact CG2-CE2 4.44Å; I51-F55 WeakPolarHBondContact O-CD2 3.38Å; M52-F55 WeakPolarHBondContact O-CB 3.37Å; M52-F55 WeakPolarHBondContact O-CD2 3.31Å; M52-F55 PolarHBondContact O-N 2.89Å; M52-F55 HydrophobicContact SD-CE2 4.18Å; F55-R57 PolarHBondContact O-N 3.4Å; F55-L58 HydrophobicContact CB-CB 4.48Å; F55-L58 PolarHBondContact O-N 3.4Å; F55-L58 VanDerWaalsContact O-N 3.12Å; F55-S59 WeakPolarHBondContact O-CB 3.49Å; F55-S59 PolarHBondContact O-N 2.94Å; F55-S59 PolarHBondContact O-OG 3.37Å |
| 56 | N | 90.4 | Very high | 91.2 | Very high | 122 Ų | 122 | 63.8 Ų | 63.8 | 65% | 0.652 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -18 | -171.4 | -73.7 | -20.9 | 0 | 0 | 0 | 117.5 | K54 R60 | K54-N56 PolarHBondContact O-N 3.24Å; N56-R60 WeakPolarHBondContact O-CD 3.33Å; N56-R60 VanDerWaalsContact O-CG 3.25Å; N56-R60 WeakPolarHBondContact O-CG 3.37Å; N56-R60 PolarHBondContact O-NE 3.04Å; N56-R60 VanDerWaalsContact O-NE 3.15Å |
| 57 | R | 88.6 | Confident | 91.2 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 24% | 0.242 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -43.9 | 175.2 | -59.2 | -172.3 | 69.3 | -167 | 5.7 | 111.9 | Q20 Y24 F55 S59 R60 L61 D125 | Q20-R57 HydrophobicContact CG-CB 4.09Å; Q20-R57 VanDerWaalsContact OE1-CD 3.26Å; Q20-R57 VanDerWaalsContact OE1-NE 3.12Å; Y24-R57 WeakPolarHBondContact OH-CB 3.47Å; F55-R57 PolarHBondContact O-N 3.4Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 3.29Å; R57-R60 PolarHBondContact O-N 2.84Å; R57-L61 PolarHBondContact O-N 3.21Å; R57-D125 IonicContact CZ-OD1 2.72Å; R57-D125 IonicContact NH2-OD1 3.96Å; R57-D125 PolarHBondContact NH2-OD1 2.92Å |
| 58 | L | 90.9 | Very high | 91 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 175.2 | -177.9 | 58.2 | 0 | 0 | 0 | 110.8 | I17 I21 Y24 M52 F55 R60 L61 S62 I68 | I17-L58 HydrophobicContact CB-CD1 4.5Å; I17-L58 HydrophobicContact CG1-CD1 4.29Å; I17-L58 HydrophobicContact CG2-CD1 3.96Å; I21-L58 HydrophobicContact CD1-CD1 4.09Å; I21-L58 HydrophobicContact CD1-CD2 3.94Å; I21-L58 HydrophobicContact CG1-CD1 4.12Å; I21-L58 HydrophobicContact CG1-CD2 3.9Å; Y24-L58 HydrophobicContact CE2-CB 4.25Å; M52-L58 HydrophobicContact CB-CD2 3.84Å; M52-L58 HydrophobicContact CE-CD2 4.22Å; F55-L58 HydrophobicContact CB-CB 4.48Å; F55-L58 PolarHBondContact O-N 3.4Å; F55-L58 VanDerWaalsContact O-N 3.12Å; L58-R60 PolarHBondContact O-N 3.36Å; L58-R60 VanDerWaalsContact O-N 3.08Å; L58-L61 WeakPolarHBondContact O-CA 3.47Å; L58-L61 WeakPolarHBondContact O-CB 3.22Å; L58-L61 PolarHBondContact O-N 3.17Å; L58-S62 PolarHBondContact O-N 2.85Å; L58-I68 HydrophobicContact CD1-CD1 4.4Å; L58-I68 HydrophobicContact CD1-CG1 4.45Å; L58-I68 HydrophobicContact CD2-CD1 4.36Å; L58-I68 HydrophobicContact CG-CD1 4.41Å |
| 59 | S | 90.7 | Very high | 90.9 | Very high | 27 Ų | 27 | 62.5 Ų | 62.5 | 19% | 0.189 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.6 | -10.1 | -179.8 | 74 | 0 | 0 | 0 | 0 | 115.9 | I53 F55 R57 K63 | I53-S59 WeakPolarHBondContact O-CB 3.03Å; F55-S59 WeakPolarHBondContact O-CB 3.49Å; F55-S59 PolarHBondContact O-N 2.94Å; F55-S59 PolarHBondContact O-OG 3.37Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 3.29Å; S59-K63 WeakPolarHBondContact O-CE 3.3Å |
| 60 | R | 90.3 | Very high | 90.8 | Very high | 206 Ų | 206 | 67.5 Ų | 67.5 | 78% | 0.777 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -92.2 | -20 | 170.2 | -69 | 173 | -175.6 | -162.5 | -3.3 | 113 | N56 R57 L58 | N56-R60 WeakPolarHBondContact O-CD 3.33Å; N56-R60 VanDerWaalsContact O-CG 3.25Å; N56-R60 WeakPolarHBondContact O-CG 3.37Å; N56-R60 PolarHBondContact O-NE 3.04Å; N56-R60 VanDerWaalsContact O-NE 3.15Å; R57-R60 PolarHBondContact O-N 2.84Å; L58-R60 PolarHBondContact O-N 3.36Å; L58-R60 VanDerWaalsContact O-N 3.08Å |
| 61 | L | 89.4 | Confident | 90.7 | Very high | 54 Ų | 54 | 61.6 Ų | 61.6 | 28% | 0.283 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -88.1 | -54.2 | 176.3 | -63.5 | 172 | 0 | 0 | 0 | 110 | L13 K16 I17 Q20 R57 L58 | L13-L61 HydrophobicContact CD1-CB 4.08Å; L13-L61 HydrophobicContact CD1-CD2 4.35Å; K16-L61 HydrophobicContact CB-CD1 4.1Å; K16-L61 HydrophobicContact CB-CD2 4.13Å; K16-L61 HydrophobicContact CD-CD2 4.49Å; I17-L61 HydrophobicContact CG1-CB 3.91Å; I17-L61 HydrophobicContact CG1-CD1 4.22Å; Q20-L61 HydrophobicContact CB-CD1 4.22Å; R57-L61 PolarHBondContact O-N 3.21Å; L58-L61 WeakPolarHBondContact O-CA 3.47Å; L58-L61 WeakPolarHBondContact O-CB 3.22Å; L58-L61 PolarHBondContact O-N 3.17Å |
| 62 | S | 90.2 | Very high | 90.5 | Very high | 11 Ų | 11 | 61 Ų | 61 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | trans | -154.9 | 156.6 | 173.8 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | L58 D64 | L58-S62 PolarHBondContact O-N 2.85Å; S62-D64 PolarHBondContact OG-N 2.91Å; S62-D64 PolarHBondContact OG-OD2 3.03Å | ||
| 63 | K | 90.4 | Very high | 90.3 | Very high | 133 Ų | 133 | 67 Ų | 67 | 58% | 0.578 | 32% | 0.315 | S | S | * | . | trans | -117.3 | -3.5 | 168.4 | -63.7 | 176 | -175.4 | 171 | 0 | 112.1 | S59 | S59-K63 WeakPolarHBondContact O-CE 3.3Š| ||
| 64 | D | 91.4 | Very high | 90.1 | Very high | 103 Ų | 103 | 69 Ų | 69 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | trans | -88.2 | 122.5 | -172.5 | -49.5 | -57.4 | 0 | 0 | 0 | 108.9 | S62 D66 V67 I68 | S62-D64 PolarHBondContact OG-N 2.91Å; S62-D64 PolarHBondContact OG-OD2 3.03Å; D64-D66 VanDerWaalsContact C-N 3.35Å; D64-D66 PolarHBondContact O-N 2.87Å; D64-V67 HydrophobicContact CB-CB 4.27Å; D64-V67 HydrophobicContact CB-CG2 3.9Å; D64-V67 PolarHBondContact O-N 2.8Å; D64-I68 WeakPolarHBondContact O-CG1 3.29Å; D64-I68 PolarHBondContact O-N 2.9Å | ||
| 65 | F | 91.6 | Very high | 89.6 | Confident | 78 Ų | 78 | 63.7 Ų | 63.7 | 34% | 0.342 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | -172.7 | -62 | -18.5 | 0 | 0 | 0 | 112 | L49 E50 I53 V67 I68 V69 | L49-F65 HydrophobicContact CB-CD1 3.74Å; L49-F65 HydrophobicContact CB-CE1 3.91Å; L49-F65 HydrophobicContact CB-CG 4.09Å; L49-F65 HydrophobicContact CB-CZ 4.41Å; L49-F65 HydrophobicContact CD1-CB 3.83Å; L49-F65 HydrophobicContact CD1-CD1 4.36Å; L49-F65 HydrophobicContact CD1-CG 4.12Å; E50-F65 HydrophobicContact CG-CE2 4.3Å; E50-F65 HydrophobicContact CG-CZ 3.85Å; I53-F65 HydrophobicContact CD1-CE1 3.85Å; I53-F65 HydrophobicContact CD1-CZ 4.24Å; I53-F65 HydrophobicContact CG1-CE1 4.12Å; I53-F65 HydrophobicContact CG2-CD1 4.22Å; I53-F65 HydrophobicContact CG2-CE1 3.84Å; F65-V67 PolarHBondContact O-N 2.96Å; F65-I68 PolarHBondContact O-N 2.84Å; F65-V69 WeakPolarHBondContact O-CB 3.48Å; F65-V69 VanDerWaalsContact O-CG2 3.29Å; F65-V69 WeakPolarHBondContact O-CG2 3.48Å; F65-V69 PolarHBondContact O-N 3.3Å |
| 66 | D | 90.1 | Very high | 88.8 | Confident | 107 Ų | 107 | 72 Ų | 72 | 57% | 0.572 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.5 | -44.9 | 178.6 | -60.2 | -61.3 | 0 | 0 | 0 | 111.8 | D64 I68 V69 E70 | D64-D66 VanDerWaalsContact C-N 3.35Å; D64-D66 PolarHBondContact O-N 2.87Å; D66-I68 VanDerWaalsContact C-N 3.31Å; D66-I68 PolarHBondContact O-N 2.95Å; D66-V69 PolarHBondContact O-N 3.01Å; D66-V69 VanDerWaalsContact O-N 3.16Å; D66-E70 WeakPolarHBondContact O-CB 3.3Å; D66-E70 WeakPolarHBondContact O-CG 3.36Å; D66-E70 PolarHBondContact O-N 2.94Å |
| 67 | V | 90.8 | Very high | 88.1 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 111.4 | I17 D64 F65 A71 | I17-V67 HydrophobicContact CD1-CG1 3.97Å; D64-V67 HydrophobicContact CB-CB 4.27Å; D64-V67 HydrophobicContact CB-CG2 3.9Å; D64-V67 PolarHBondContact O-N 2.8Å; F65-V67 PolarHBondContact O-N 2.96Å; V67-A71 VanDerWaalsContact O-CB 3.26Å; V67-A71 WeakPolarHBondContact O-CB 3.28Å; V67-A71 PolarHBondContact O-N 3.5Å |
| 68 | I | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 176.9 | -66.6 | 166.9 | 0 | 0 | 0 | 111.1 | I17 I21 L49 I53 L58 D64 F65 D66 L72 | I17-I68 HydrophobicContact CG2-CG1 4.26Å; I17-I68 HydrophobicContact CG2-CG2 4.35Å; I21-I68 HydrophobicContact CD1-CG2 3.56Å; L49-I68 HydrophobicContact CD2-CG2 3.87Å; I53-I68 HydrophobicContact CG2-CD1 3.88Å; L58-I68 HydrophobicContact CD1-CD1 4.4Å; L58-I68 HydrophobicContact CD1-CG1 4.45Å; L58-I68 HydrophobicContact CD2-CD1 4.36Å; L58-I68 HydrophobicContact CG-CD1 4.41Å; D64-I68 WeakPolarHBondContact O-CG1 3.29Å; D64-I68 PolarHBondContact O-N 2.9Å; F65-I68 PolarHBondContact O-N 2.84Å; D66-I68 VanDerWaalsContact C-N 3.31Å; D66-I68 PolarHBondContact O-N 2.95Å; I68-L72 HydrophobicContact CG2-CD1 4.12Å; I68-L72 WeakPolarHBondContact O-CB 3.5Å; I68-L72 VanDerWaalsContact O-CG 3.3Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.37Å |
| 69 | V | 90.7 | Very high | 87.3 | Confident | 4 Ų | 4 | 69.1 Ų | 69.1 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.9 | -43.4 | 179.6 | 165.8 | 0 | 0 | 0 | 0 | 111.6 | L49 F65 D66 L72 K73 I82 K86 | L49-V69 HydrophobicContact CD1-CG2 3.73Å; F65-V69 WeakPolarHBondContact O-CB 3.48Å; F65-V69 VanDerWaalsContact O-CG2 3.29Å; F65-V69 WeakPolarHBondContact O-CG2 3.48Å; F65-V69 PolarHBondContact O-N 3.3Å; D66-V69 PolarHBondContact O-N 3.01Å; D66-V69 VanDerWaalsContact O-N 3.16Å; V69-L72 PolarHBondContact O-N 3.41Å; V69-K73 HydrophobicContact CG1-CD 4.29Å; V69-K73 VanDerWaalsContact O-CG 3.31Å; V69-K73 WeakPolarHBondContact O-CG 3.43Å; V69-K73 PolarHBondContact O-N 2.88Å; V69-I82 HydrophobicContact CG1-CD1 4.29Å; V69-I82 HydrophobicContact CG1-CG2 4.26Å; V69-I82 HydrophobicContact CG2-CG2 4.33Å; V69-K86 HydrophobicContact CG1-CB 4.19Å; V69-K86 HydrophobicContact CG1-CD 4.19Å; V69-K86 HydrophobicContact CG1-CG 4.19Å; V69-K86 HydrophobicContact CG2-CB 4.14Å; V69-K86 WeakPolarHBondContact CG2-O 3.44Å |
| 70 | E | 89.9 | Confident | 87.3 | Confident | 105 Ų | 105 | 69.1 Ų | 69.1 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 177 | -73.7 | -176.3 | 177.4 | 0 | 0 | 111.9 | D66 K73 K74 | D66-E70 WeakPolarHBondContact O-CB 3.3Å; D66-E70 WeakPolarHBondContact O-CG 3.36Å; D66-E70 PolarHBondContact O-N 2.94Å; E70-K73 PolarHBondContact O-N 3.03Å; E70-K74 WeakPolarHBondContact O-CG 3.38Å; E70-K74 PolarHBondContact O-N 2.94Å |
| 71 | A | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.9 | -54.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | E14 I17 C18 V67 K73 K74 S75 | E14-A71 HydrophobicContact CB-CB 3.73Å; E14-A71 HydrophobicContact CG-CB 3.99Å; I17-A71 HydrophobicContact CB-CB 4.2Å; I17-A71 HydrophobicContact CG2-CB 3.96Å; C18-A71 PolarHBondContact SG-O 3.27Å; V67-A71 VanDerWaalsContact O-CB 3.26Å; V67-A71 WeakPolarHBondContact O-CB 3.28Å; V67-A71 PolarHBondContact O-N 3.5Å; A71-K73 VanDerWaalsContact C-N 3.31Å; A71-K73 PolarHBondContact O-N 3.34Å; A71-K74 PolarHBondContact O-N 2.98Å; A71-S75 PolarHBondContact O-N 3.42Å |
| 72 | L | 88.3 | Confident | 87.3 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -35.2 | -177.6 | -73.3 | 174.9 | 0 | 0 | 0 | 113.1 | I21 I68 V69 K74 S75 M80 I82 I89 | I21-L72 HydrophobicContact CB-CD2 4.18Å; I21-L72 HydrophobicContact CD1-CD1 3.94Å; I21-L72 HydrophobicContact CD1-CD2 4.16Å; I21-L72 HydrophobicContact CD1-CG 4.18Å; I21-L72 HydrophobicContact CG2-CD1 4.43Å; I21-L72 HydrophobicContact CG2-CD2 4.02Å; I68-L72 HydrophobicContact CG2-CD1 4.12Å; I68-L72 WeakPolarHBondContact O-CB 3.5Å; I68-L72 VanDerWaalsContact O-CG 3.3Å; I68-L72 WeakPolarHBondContact O-CG 3.47Å; I68-L72 PolarHBondContact O-N 3.37Å; V69-L72 PolarHBondContact O-N 3.41Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 3.3Å; L72-S75 VanDerWaalsContact O-CB 3.31Å; L72-S75 WeakPolarHBondContact O-CB 2.97Å; L72-S75 PolarHBondContact O-N 3.21Å; L72-S75 VanDerWaalsContact O-N 3.12Å; L72-M80 HydrophobicContact CD2-CB 4.21Å; L72-M80 HydrophobicContact CD2-CG 4.09Å; L72-I82 HydrophobicContact CB-CD1 3.77Å; L72-I82 HydrophobicContact CB-CG1 4.36Å; L72-I89 HydrophobicContact CD1-CD1 4.01Å; L72-I89 HydrophobicContact CD1-CG2 3.85Å |
| 73 | K | 87.4 | Confident | 87.3 | Confident | 128 Ų | 128 | 62.2 Ų | 62.2 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.3 | -34.6 | 173.3 | -77.1 | 175.9 | 176.4 | -172.6 | 0 | 113.2 | V69 E70 A71 S75 I82 | V69-K73 HydrophobicContact CG1-CD 4.29Å; V69-K73 VanDerWaalsContact O-CG 3.31Å; V69-K73 WeakPolarHBondContact O-CG 3.43Å; V69-K73 PolarHBondContact O-N 2.88Å; E70-K73 PolarHBondContact O-N 3.03Å; A71-K73 VanDerWaalsContact C-N 3.31Å; A71-K73 PolarHBondContact O-N 3.34Å; K73-S75 VanDerWaalsContact C-N 3.26Å; K73-S75 PolarHBondContact O-N 2.83Å; K73-I82 HydrophobicContact CG-CD1 3.68Å |
| 74 | K | 86.4 | Confident | 87.1 | Confident | 88 Ų | 88 | 64.6 Ų | 64.6 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -3.3 | 176.5 | -63 | 167.8 | -179.5 | 173.4 | 0 | 112.7 | M10 E14 E70 A71 L72 K76 | M10-K74 VanDerWaalsContact CE-O 3.32Å; M10-K74 WeakPolarHBondContact CE-O 3.36Å; M10-K74 HydrophobicContact CG-CB 3.54Å; M10-K74 HydrophobicContact CG-CD 3.96Å; M10-K74 HydrophobicContact CG-CG 4.37Å; M10-K74 HydrophobicContact SD-CB 3.93Å; E14-K74 VanDerWaalsContact CD-NZ 3.29Å; E14-K74 IonicContact OE1-NZ 2.9Å; E14-K74 PolarHBondContact OE1-NZ 2.8Å; E14-K74 IonicContact OE2-NZ 2.65Å; E14-K74 PolarHBondContact OE2-NZ 2.62Å; E70-K74 WeakPolarHBondContact O-CG 3.38Å; E70-K74 PolarHBondContact O-N 2.94Å; A71-K74 PolarHBondContact O-N 2.98Å; L72-K74 VanDerWaalsContact C-N 3.29Å; L72-K74 PolarHBondContact O-N 3.3Å; K74-K76 PolarHBondContact O-N 2.67Å |
| 75 | S | 82.2 | Confident | 86.8 | Confident | 26 Ų | 26 | 65.3 Ų | 65.3 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | trans | -67.5 | 130.7 | -179.6 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | E22 A71 L72 K73 T77 | E22-S75 PolarHBondContact OE1-OG 3.17Å; A71-S75 PolarHBondContact O-N 3.42Å; L72-S75 VanDerWaalsContact O-CB 3.31Å; L72-S75 WeakPolarHBondContact O-CB 2.97Å; L72-S75 PolarHBondContact O-N 3.21Å; L72-S75 VanDerWaalsContact O-N 3.12Å; K73-S75 VanDerWaalsContact C-N 3.26Å; K73-S75 PolarHBondContact O-N 2.83Å; S75-T77 VanDerWaalsContact C-N 3.33Å; S75-T77 PolarHBondContact OG-N 2.86Å; S75-T77 PolarHBondContact OG-OG1 3.21Å | ||
| 76 | K | 75.3 | Confident | 86.7 | Confident | 200 Ų | 200 | 66.4 Ų | 66.4 | 87% | 0.87 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -82.3 | -8.9 | 177 | -57.9 | -177.7 | -178.7 | -178.1 | 0 | 113.1 | K74 | K74-K76 PolarHBondContact O-N 2.67Š|
| 77 | T | 74.9 | Confident | 86.7 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -81.8 | -26 | -175.7 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | E22 S75 L79 K95 | E22-T77 VanDerWaalsContact CD-OG1 3.26Å; E22-T77 VanDerWaalsContact OE1-CG2 3.32Å; E22-T77 WeakPolarHBondContact OE1-CG2 3.5Å; E22-T77 PolarHBondContact OE1-OG1 2.76Å; E22-T77 WeakPolarHBondContact OE2-CG2 3.49Å; S75-T77 VanDerWaalsContact C-N 3.33Å; S75-T77 PolarHBondContact OG-N 2.86Å; S75-T77 PolarHBondContact OG-OG1 3.21Å; T77-L79 PolarHBondContact O-N 3.13Å; T77-L79 VanDerWaalsContact O-N 3.17Å; T77-L79 PolarHBondContact OG1-N 2.78Å; T77-K95 PolarHBondContact O-NZ 3.07Å |
| 78 | G | 78.1 | Confident | 86.7 | Confident | 46 Ų | 46 | 65.1 Ų | 65.1 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | trans | 55.7 | 26.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 79 | L | 84.8 | Confident | 86.8 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 13% | 0.126 | 33% | 0.327 | C | S | . | . | trans | -79.9 | -28.2 | 178.9 | -176.8 | 61.7 | 0 | 0 | 0 | 112.4 | E22 T77 R91 S92 K95 | E22-L79 HydrophobicContact CB-CD2 4.17Å; E22-L79 HydrophobicContact CG-CD2 4.37Å; T77-L79 PolarHBondContact O-N 3.13Å; T77-L79 VanDerWaalsContact O-N 3.17Å; T77-L79 PolarHBondContact OG1-N 2.78Å; L79-R91 HydrophobicContact CD1-CG 4.01Å; L79-R91 WeakPolarHBondContact O-CA 3.3Å; L79-S92 PolarHBondContact O-N 3.38Å; L79-K95 HydrophobicContact CD1-CB 4.14Å; L79-K95 HydrophobicContact CD1-CD 4.18Å | ||
| 80 | M | 90.4 | Very high | 86.9 | Confident | 26 Ų | 26 | 67.2 Ų | 67.2 | 13% | 0.128 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.7 | -173.7 | -60.4 | -54.3 | -63.1 | 0 | 0 | 111.6 | I21 E22 F25 L72 I89 R90 | I21-M80 HydrophobicContact CG2-CE 3.91Å; I21-M80 HydrophobicContact CG2-CG 4.13Å; I21-M80 HydrophobicContact CG2-SD 4.24Å; E22-M80 HydrophobicContact CG-CG 4.47Å; F25-M80 HydrophobicContact CB-CE 4.31Å; F25-M80 HydrophobicContact CB-SD 3.67Å; F25-M80 HydrophobicContact CD1-CE 4.05Å; F25-M80 HydrophobicContact CD1-SD 4.42Å; F25-M80 HydrophobicContact CD2-CE 3.35Å; F25-M80 HydrophobicContact CD2-SD 3.74Å; F25-M80 HydrophobicContact CE1-CE 4.16Å; F25-M80 HydrophobicContact CE2-CE 3.5Å; F25-M80 HydrophobicContact CE2-SD 4.49Å; F25-M80 HydrophobicContact CG-CE 3.64Å; F25-M80 HydrophobicContact CG-SD 3.69Å; F25-M80 HydrophobicContact CZ-CE 3.91Å; L72-M80 HydrophobicContact CD2-CB 4.21Å; L72-M80 HydrophobicContact CD2-CG 4.09Å; M80-I89 HydrophobicContact CE-CB 4.2Å; M80-I89 HydrophobicContact CE-CD1 3.97Å; M80-I89 HydrophobicContact CE-CG1 4.11Å; M80-R90 CarbonylContact C-O 3.59Å; M80-R90 WeakPolarHBondContact CA-O 3.39Å; M80-R90 VanDerWaalsContact CE-O 3.29Å; M80-R90 WeakPolarHBondContact CE-O 3.33Å |
| 81 | E | 89.8 | Confident | 87 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 148.4 | 167.5 | -77.9 | 170.1 | -162.6 | 0 | 0 | 109.7 | W46 I89 R90 S92 P93 | W46-E81 HydrophobicContact CH2-CB 4.32Å; E81-I89 CarbonylContact O-C 3.58Å; E81-I89 VanDerWaalsContact O-CA 3.29Å; E81-I89 WeakPolarHBondContact O-CA 3.33Å; E81-R90 HydrophobicContact CB-CG 3.88Å; E81-R90 PolarHBondContact N-O 3.1Å; E81-R90 PolarHBondContact O-N 3.11Å; E81-R90 IonicContact OE2-CZ 3.86Å; E81-R90 VanDerWaalsContact OE2-CZ 3.31Å; E81-R90 IonicContact OE2-NE 3.31Å; E81-R90 PolarHBondContact OE2-NE 2.9Å; E81-R90 IonicContact OE2-NH2 2.66Å; E81-R90 PolarHBondContact OE2-NH2 2.88Å; E81-S92 WeakPolarHBondContact OE1-CA 3.49Å; E81-S92 WeakPolarHBondContact OE1-CB 3.43Å; E81-S92 PolarHBondContact OE1-OG 3.37Å; E81-P93 WeakPolarHBondContact OE1-CD 3.45Å; E81-P93 WeakPolarHBondContact OE2-CD 3.25Å |
| 82 | I | 90.1 | Very high | 86.8 | Confident | 41 Ų | 41 | 64.1 Ų | 64.1 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 134.3 | -179.1 | -54.4 | 168.9 | 0 | 0 | 0 | 106.9 | V69 L72 K73 I89 | V69-I82 HydrophobicContact CG1-CD1 4.29Å; V69-I82 HydrophobicContact CG1-CG2 4.26Å; V69-I82 HydrophobicContact CG2-CG2 4.33Å; L72-I82 HydrophobicContact CB-CD1 3.77Å; L72-I82 HydrophobicContact CB-CG1 4.36Å; K73-I82 HydrophobicContact CG-CD1 3.68Å; I82-I89 HydrophobicContact CG1-CG2 4.28Å |
| 83 | N | 89.8 | Confident | 86.6 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | trans | -66.9 | 157.9 | 178.4 | -173.7 | 34 | 0 | 0 | 0 | 111.1 | W46 D85 K86 K88 | W46-N83 HydrophobicContact CE3-CB 4.11Å; W46-N83 HydrophobicContact CH2-CB 3.94Å; W46-N83 HydrophobicContact CZ2-CB 4.43Å; W46-N83 HydrophobicContact CZ3-CB 3.77Å; W46-N83 VanDerWaalsContact CZ3-N 3.25Å; N83-D85 VanDerWaalsContact C-N 3.27Å; N83-D85 PolarHBondContact ND2-OD2 2.76Å; N83-D85 PolarHBondContact O-N 2.89Å; N83-K86 WeakPolarHBondContact O-CA 3.48Å; N83-K86 PolarHBondContact O-N 2.75Å; N83-K88 HydrophobicContact CB-CB 4.17Å; N83-K88 PolarHBondContact N-O 3.46Å | ||
| 84 | E | 86.1 | Confident | 86.3 | Confident | 183 Ų | 183 | 67.9 Ų | 67.9 | 86% | 0.855 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -42 | 178.9 | -61.5 | -174.4 | 169.4 | 0 | 0 | 111.6 | K86 | E84-K86 PolarHBondContact O-N 3.04Å; E84-K86 VanDerWaalsContact O-N 3.16Å |
| 85 | D | 86.7 | Confident | 86.1 | Confident | 117 Ų | 117 | 68.5 Ų | 68.5 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -7 | 175.4 | -53.5 | -53.6 | 0 | 0 | 0 | 114.2 | N83 T87 | N83-D85 VanDerWaalsContact C-N 3.27Å; N83-D85 PolarHBondContact ND2-OD2 2.76Å; N83-D85 PolarHBondContact O-N 2.89Å; D85-T87 HydrophobicContact CB-CG2 4.2Å; D85-T87 PolarHBondContact O-N 3.37Å |
| 86 | K | 88.8 | Confident | 86.1 | Confident | 101 Ų | 101 | 71.8 Ų | 71.8 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 59.7 | 5.4 | -173.4 | -50.7 | 172.1 | -167.7 | 170.2 | 0 | 115.8 | L49 V69 N83 E84 | L49-K86 VanDerWaalsContact CD1-O 3.24Å; L49-K86 WeakPolarHBondContact CD1-O 3.36Å; V69-K86 HydrophobicContact CG1-CB 4.19Å; V69-K86 HydrophobicContact CG1-CD 4.19Å; V69-K86 HydrophobicContact CG1-CG 4.19Å; V69-K86 HydrophobicContact CG2-CB 4.14Å; V69-K86 WeakPolarHBondContact CG2-O 3.44Å; N83-K86 WeakPolarHBondContact O-CA 3.48Å; N83-K86 PolarHBondContact O-N 2.75Å; E84-K86 PolarHBondContact O-N 3.04Å; E84-K86 VanDerWaalsContact O-N 3.16Å |
| 87 | T | 88.8 | Confident | 86.4 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -83.5 | -19.9 | -176.4 | 51.9 | 0 | 0 | 0 | 0 | 114.9 | L49 D85 | L49-T87 PolarHBondContact N-O 3.13Å; D85-T87 HydrophobicContact CB-CG2 4.2Å; D85-T87 PolarHBondContact O-N 3.37Å |
| 88 | K | 91.9 | Very high | 86.6 | Confident | 58 Ų | 58 | 65 Ų | 65 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 151.5 | -175.4 | -51 | -179.4 | -170.1 | 171.9 | 0 | 111 | D43 W46 V47 P48 N83 | D43-K88 IonicContact OD1-NZ 3.87Å; D43-K88 WeakPolarHBondContact OD2-CD 3.42Å; D43-K88 WeakPolarHBondContact OD2-CE 3.36Å; D43-K88 IonicContact OD2-NZ 3Å; D43-K88 PolarHBondContact OD2-NZ 2.65Å; W46-K88 HydrophobicContact CB-CB 4.16Å; W46-K88 HydrophobicContact CB-CD 3.88Å; W46-K88 HydrophobicContact CD2-CB 4.43Å; W46-K88 HydrophobicContact CE3-CB 3.91Å; W46-K88 HydrophobicContact CG-CD 4.43Å; V47-K88 WeakPolarHBondContact O-CA 3.24Å; P48-K88 HydrophobicContact CG-CG 4.4Å; N83-K88 HydrophobicContact CB-CB 4.17Å; N83-K88 PolarHBondContact N-O 3.46Å |
| 89 | I | 93 | Very high | 86.6 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 150.6 | 174.3 | 64.7 | 176.6 | 0 | 0 | 0 | 110.5 | I21 F25 V47 L49 M52 L72 M80 E81 I82 | I21-I89 HydrophobicContact CD1-CD1 4.39Å; I21-I89 HydrophobicContact CG2-CD1 3.77Å; F25-I89 HydrophobicContact CE2-CD1 4.12Å; F25-I89 HydrophobicContact CE2-CG1 4.42Å; F25-I89 HydrophobicContact CZ-CG1 4.38Å; V47-I89 PolarHBondContact N-O 3.43Å; V47-I89 PolarHBondContact O-N 3.28Å; L49-I89 HydrophobicContact CD2-CD1 4.08Å; L49-I89 HydrophobicContact CD2-CG1 4.27Å; L49-I89 HydrophobicContact CD2-CG2 3.85Å; L49-I89 HydrophobicContact CG-CG2 4.49Å; M52-I89 HydrophobicContact CE-CD1 4.34Å; M52-I89 HydrophobicContact CG-CD1 3.89Å; M52-I89 HydrophobicContact CG-CG1 4.22Å; M52-I89 HydrophobicContact SD-CD1 4.37Å; L72-I89 HydrophobicContact CD1-CD1 4.01Å; L72-I89 HydrophobicContact CD1-CG2 3.85Å; M80-I89 HydrophobicContact CE-CB 4.2Å; M80-I89 HydrophobicContact CE-CD1 3.97Å; M80-I89 HydrophobicContact CE-CG1 4.11Å; E81-I89 CarbonylContact O-C 3.58Å; E81-I89 VanDerWaalsContact O-CA 3.29Å; E81-I89 WeakPolarHBondContact O-CA 3.33Å; I82-I89 HydrophobicContact CG1-CG2 4.28Å |
| 90 | R | 91.8 | Very high | 86.1 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 18% | 0.177 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 162.5 | 172.6 | 70.3 | 177.5 | -178.1 | -172.4 | -0.7 | 111.7 | D44 G45 W46 M80 E81 | D44-R90 IonicContact OD2-NH1 3.73Å; D44-R90 PolarHBondContact OD2-NH1 2.7Å; G45-R90 WeakPolarHBondContact O-CB 3.48Å; W46-R90 HydrophobicContact CD2-CB 4.12Å; W46-R90 HydrophobicContact CD2-CG 4.05Å; W46-R90 HydrophobicContact CE3-CB 3.79Å; W46-R90 HydrophobicContact CE3-CG 3.77Å; W46-R90 HydrophobicContact CH2-CG 3.92Å; W46-R90 HydrophobicContact CZ2-CG 4.19Å; W46-R90 HydrophobicContact CZ3-CB 4.16Å; W46-R90 HydrophobicContact CZ3-CG 3.7Å; M80-R90 CarbonylContact C-O 3.59Å; M80-R90 WeakPolarHBondContact CA-O 3.39Å; M80-R90 VanDerWaalsContact CE-O 3.29Å; M80-R90 WeakPolarHBondContact CE-O 3.33Å; E81-R90 HydrophobicContact CB-CG 3.88Å; E81-R90 PolarHBondContact N-O 3.1Å; E81-R90 PolarHBondContact O-N 3.11Å; E81-R90 IonicContact OE2-CZ 3.86Å; E81-R90 VanDerWaalsContact OE2-CZ 3.31Å; E81-R90 IonicContact OE2-NE 3.31Å; E81-R90 PolarHBondContact OE2-NE 2.9Å; E81-R90 IonicContact OE2-NH2 2.66Å; E81-R90 PolarHBondContact OE2-NH2 2.88Å |
| 91 | R | 91.7 | Very high | 85.6 | Confident | 32 Ų | 32 | 75.9 Ų | 75.9 | 12% | 0.121 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 133.9 | 163.8 | 179.1 | 173.7 | 171.5 | 141.9 | -2.4 | 108.7 | F25 D27 L79 K95 P96 | F25-R91 HydrophobicContact CB-CB 4.33Å; F25-R91 HydrophobicContact CD1-CB 4.03Å; F25-R91 WeakPolarHBondContact O-CD 3.46Å; F25-R91 PolarHBondContact O-NH1 3.28Å; D27-R91 IonicContact OD1-CZ 2.66Å; D27-R91 IonicContact OD1-NH1 2.62Å; D27-R91 PolarHBondContact OD1-NH1 3.41Å; D27-R91 IonicContact OD1-NH2 3.95Å; D27-R91 PolarHBondContact OD1-NH2 2.98Å; L79-R91 HydrophobicContact CD1-CG 4.01Å; L79-R91 WeakPolarHBondContact O-CA 3.3Å; R91-K95 VanDerWaalsContact CZ-O 3.29Å; R91-K95 PolarHBondContact NE-O 3.36Å; R91-K95 PolarHBondContact NH2-O 3.08Å; R91-P96 PolarHBondContact NH2-O 3Å |
| 92 | S | 86.8 | Confident | 85.2 | Confident | 8 Ų | 8 | 78.7 Ų | 78.7 | 6% | 0.056 | 41% | 0.406 | C | S | . | . | trans | -60.5 | 129.9 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 111 | L79 E81 N94 K95 | L79-S92 PolarHBondContact O-N 3.38Å; E81-S92 WeakPolarHBondContact OE1-CA 3.49Å; E81-S92 WeakPolarHBondContact OE1-CB 3.43Å; E81-S92 PolarHBondContact OE1-OG 3.37Å; S92-N94 PolarHBondContact O-N 2.71Å; S92-N94 VanDerWaalsContact O-N 3.16Å; S92-N94 PolarHBondContact OG-N 2.83Å; S92-N94 PolarHBondContact OG-ND2 3.17Å; S92-K95 CarbonylContact O-C 3.55Å; S92-K95 PolarHBondContact O-N 3.08Å | ||
| 93 | P | 83.5 | Confident | 84.8 | Confident | 83 Ų | 83 | 84.9 Ų | 84.9 | 54% | 0.539 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20 | 176.1 | 25.9 | -34.8 | 0 | 0 | 0 | 112.8 | E81 K95 | E81-P93 WeakPolarHBondContact OE1-CD 3.45Å; E81-P93 WeakPolarHBondContact OE2-CD 3.25Å; P93-K95 PolarHBondContact O-N 3.06Å |
| 94 | N | 81.4 | Confident | 84.5 | Confident | 135 Ų | 135 | 85.4 Ų | 85.4 | 72% | 0.722 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -14.6 | 173.9 | -60.8 | -54.4 | 0 | 0 | 0 | 113.4 | S92 P96 | S92-N94 PolarHBondContact O-N 2.71Å; S92-N94 VanDerWaalsContact O-N 3.16Å; S92-N94 PolarHBondContact OG-N 2.83Å; S92-N94 PolarHBondContact OG-ND2 3.17Å; N94-P96 VanDerWaalsContact C-CD 3.47Å; N94-P96 WeakPolarHBondContact O-CD 3.25Å |
| 95 | K | 81.5 | Confident | 84.3 | Confident | 100 Ų | 100 | 81.3 Ų | 81.3 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -122.1 | 69.7 | 175.3 | -65.5 | -171.5 | -179.2 | -170.1 | 0 | 109.4 | T77 L79 R91 S92 P93 | T77-K95 PolarHBondContact O-NZ 3.07Å; L79-K95 HydrophobicContact CD1-CB 4.14Å; L79-K95 HydrophobicContact CD1-CD 4.18Å; R91-K95 VanDerWaalsContact CZ-O 3.29Å; R91-K95 PolarHBondContact NE-O 3.36Å; R91-K95 PolarHBondContact NH2-O 3.08Å; S92-K95 CarbonylContact O-C 3.55Å; S92-K95 PolarHBondContact O-N 3.08Å; P93-K95 PolarHBondContact O-N 3.06Å |
| 96 | P | 82 | Confident | 84.1 | Confident | 96 Ų | 96 | 78.4 Ų | 78.4 | 62% | 0.623 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 163 | 178.1 | 28 | -35.7 | 0 | 0 | 0 | 111.2 | R91 N94 | R91-P96 PolarHBondContact NH2-O 3Å; N94-P96 VanDerWaalsContact C-CD 3.47Å; N94-P96 WeakPolarHBondContact O-CD 3.25Å |
| 97 | L | 82 | Confident | 83.8 | Confident | 72 Ų | 72 | 75.7 Ų | 75.7 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 137.3 | 170.4 | -79.5 | 167 | 0 | 0 | 0 | 109.7 | L30 P31 | L30-L97 HydrophobicContact CB-CD2 4.36Å; L30-L97 HydrophobicContact CD2-CD1 3.9Å; L30-L97 HydrophobicContact CD2-CD2 4.18Å; L30-L97 HydrophobicContact CD2-CG 4.19Å; L30-L97 HydrophobicContact CG-CD1 4.05Å; L30-L97 HydrophobicContact CG-CD2 4.46Å; P31-L97 HydrophobicContact CG-CD1 4.28Å; P31-L97 HydrophobicContact CG-CD2 3.89Å |
| 98 | P | 80 | Confident | 83.6 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 26% | 0.26 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 142.8 | 172.8 | 26.7 | -33.8 | 0 | 0 | 0 | 110.5 | D27 L100 Y104 | D27-P98 HydrophobicContact CB-CG 4.01Å; D27-P98 WeakPolarHBondContact OD1-CD 3.46Å; D27-P98 VanDerWaalsContact OD2-CD 3.28Å; D27-P98 WeakPolarHBondContact OD2-CD 3.18Å; D27-P98 WeakPolarHBondContact OD2-CG 3.41Å; P98-L100 PolarHBondContact O-N 2.86Å; P98-Y104 HydrophobicContact CB-CD2 4.13Å; P98-Y104 HydrophobicContact CB-CE1 4.5Å; P98-Y104 HydrophobicContact CB-CE2 3.78Å; P98-Y104 HydrophobicContact CG-CD2 4.41Å; P98-Y104 HydrophobicContact CG-CE1 3.97Å; P98-Y104 HydrophobicContact CG-CE2 3.64Å; P98-Y104 WeakPolarHBondContact CG-OH 3.47Å |
| 99 | E | 76.8 | Confident | 83.2 | Confident | 143 Ų | 143 | 75 Ų | 75 | 67% | 0.668 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 132.6 | 175.3 | -66.1 | -173.7 | 170 | 0 | 0 | 110.7 | N101 | E99-N101 PolarHBondContact O-N 2.81Å; E99-N101 PolarHBondContact OE2-ND2 3.31Å |
| 100 | L | 75.8 | Confident | 82.8 | Confident | 98 Ų | 98 | 78 Ų | 78 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | trans | -78.5 | 46.1 | -178.6 | -62.3 | 178.1 | 0 | 0 | 0 | 112.2 | P31 P98 Y104 K105 | P31-L100 HydrophobicContact CB-CD1 4.2Å; P98-L100 PolarHBondContact O-N 2.86Å; L100-Y104 HydrophobicContact CD2-CD1 4.11Å; L100-Y104 HydrophobicContact CD2-CE1 4.08Å; L100-K105 WeakPolarHBondContact O-CE 3.15Å | ||
| 101 | N | 80.4 | Confident | 82.7 | Confident | 85 Ų | 85 | 77.2 Ų | 77.2 | 46% | 0.455 | 40% | 0.401 | S | S | . | . | trans | -72.9 | 157.1 | 178 | -63.5 | -18.5 | 0 | 0 | 0 | 110.5 | E99 Q103 Y104 K105 | E99-N101 PolarHBondContact O-N 2.81Å; E99-N101 PolarHBondContact OE2-ND2 3.31Å; N101-Q103 PolarHBondContact O-N 3Å; N101-Y104 WeakPolarHBondContact O-CB 3.5Å; N101-Y104 PolarHBondContact O-N 3.42Å; N101-K105 PolarHBondContact O-N 3.35Å | ||
| 102 | D | 81.4 | Confident | 82.5 | Confident | 110 Ų | 110 | 75.7 Ų | 75.7 | 59% | 0.588 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.4 | -25.5 | -174.8 | -65.1 | -42.9 | 0 | 0 | 0 | 113.6 | K105 T106 | D102-K105 WeakPolarHBondContact OD1-CD 3.35Å; D102-K105 WeakPolarHBondContact OD1-CE 3.39Å; D102-K105 IonicContact OD1-NZ 3.37Å; D102-K105 PolarHBondContact OD1-NZ 2.98Å; D102-T106 VanDerWaalsContact O-CB 3.28Å; D102-T106 WeakPolarHBondContact O-CB 3.47Å; D102-T106 PolarHBondContact O-N 2.83Å; D102-T106 PolarHBondContact O-OG1 3.32Å |
| 103 | Q | 80.9 | Confident | 82.7 | Confident | 170 Ų | 170 | 75.3 Ų | 75.3 | 79% | 0.794 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 169.2 | -65.4 | -179.6 | -1.6 | 0 | 0 | 111.7 | N101 T106 A107 | N101-Q103 PolarHBondContact O-N 3Å; Q103-T106 PolarHBondContact O-N 2.78Å; Q103-A107 WeakPolarHBondContact O-CB 3.48Å; Q103-A107 PolarHBondContact O-N 2.84Å |
| 104 | Y | 82.8 | Confident | 83.1 | Confident | 47 Ų | 47 | 71.9 Ų | 71.9 | 18% | 0.184 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 177.5 | -177.3 | -103.3 | 0 | 0 | 0 | 111.5 | D27 P98 L100 N101 T106 A107 I108 | D27-Y104 WeakPolarHBondContact CB-OH 3.37Å; P98-Y104 HydrophobicContact CB-CD2 4.13Å; P98-Y104 HydrophobicContact CB-CE1 4.5Å; P98-Y104 HydrophobicContact CB-CE2 3.78Å; P98-Y104 HydrophobicContact CG-CD2 4.41Å; P98-Y104 HydrophobicContact CG-CE1 3.97Å; P98-Y104 HydrophobicContact CG-CE2 3.64Å; P98-Y104 WeakPolarHBondContact CG-OH 3.47Å; L100-Y104 HydrophobicContact CD2-CD1 4.11Å; L100-Y104 HydrophobicContact CD2-CE1 4.08Å; N101-Y104 WeakPolarHBondContact O-CB 3.5Å; N101-Y104 PolarHBondContact O-N 3.42Å; Y104-T106 VanDerWaalsContact C-N 3.28Å; Y104-T106 PolarHBondContact O-N 2.77Å; Y104-A107 PolarHBondContact O-N 2.8Å; Y104-I108 HydrophobicContact CD1-CD1 3.88Å; Y104-I108 HydrophobicContact CE1-CD1 3.32Å; Y104-I108 HydrophobicContact CE1-CG1 4.35Å; Y104-I108 HydrophobicContact CE2-CD1 4.4Å; Y104-I108 WeakPolarHBondContact O-CG1 3.41Å; Y104-I108 PolarHBondContact O-N 3.04Å |
| 105 | K | 81.5 | Confident | 83.5 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 172.2 | -61.9 | 175.6 | -159.1 | 155.1 | 0 | 111.5 | L100 N101 D102 K109 | L100-K105 WeakPolarHBondContact O-CE 3.15Å; N101-K105 PolarHBondContact O-N 3.35Å; D102-K105 WeakPolarHBondContact OD1-CD 3.35Å; D102-K105 WeakPolarHBondContact OD1-CE 3.39Å; D102-K105 IonicContact OD1-NZ 3.37Å; D102-K105 PolarHBondContact OD1-NZ 2.98Å; K105-K109 WeakPolarHBondContact O-CG 3.23Å; K105-K109 PolarHBondContact O-N 2.94Å |
| 106 | T | 82.9 | Confident | 83.9 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -72.9 | -41.6 | -179.2 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | D102 Q103 Y104 I108 K109 N110 | D102-T106 VanDerWaalsContact O-CB 3.28Å; D102-T106 WeakPolarHBondContact O-CB 3.47Å; D102-T106 PolarHBondContact O-N 2.83Å; D102-T106 PolarHBondContact O-OG1 3.32Å; Q103-T106 PolarHBondContact O-N 2.78Å; Y104-T106 VanDerWaalsContact C-N 3.28Å; Y104-T106 PolarHBondContact O-N 2.77Å; T106-I108 VanDerWaalsContact C-N 3.31Å; T106-I108 PolarHBondContact O-N 3.43Å; T106-K109 WeakPolarHBondContact O-CB 3.12Å; T106-K109 PolarHBondContact O-N 3.24Å; T106-N110 VanDerWaalsContact O-CG 3.25Å; T106-N110 PolarHBondContact O-N 3.27Å; T106-N110 PolarHBondContact O-OD1 2.83Å |
| 107 | A | 84 | Confident | 84.1 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.3 | -43.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q103 Y104 N110 R111 | Q103-A107 WeakPolarHBondContact O-CB 3.48Å; Q103-A107 PolarHBondContact O-N 2.84Å; Y104-A107 PolarHBondContact O-N 2.8Å; A107-N110 PolarHBondContact O-N 2.6Å; A107-R111 WeakPolarHBondContact O-CD 3.4Å; A107-R111 VanDerWaalsContact O-CG 3.31Å; A107-R111 WeakPolarHBondContact O-CG 3.46Å; A107-R111 PolarHBondContact O-N 3Å |
| 108 | I | 84.4 | Confident | 84.5 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 172.3 | -71.1 | 174.5 | 0 | 0 | 0 | 111.6 | Y104 T106 N110 R111 S112 V157 | Y104-I108 HydrophobicContact CD1-CD1 3.88Å; Y104-I108 HydrophobicContact CE1-CD1 3.32Å; Y104-I108 HydrophobicContact CE1-CG1 4.35Å; Y104-I108 HydrophobicContact CE2-CD1 4.4Å; Y104-I108 WeakPolarHBondContact O-CG1 3.41Å; Y104-I108 PolarHBondContact O-N 3.04Å; T106-I108 VanDerWaalsContact C-N 3.31Å; T106-I108 PolarHBondContact O-N 3.43Å; I108-N110 PolarHBondContact O-N 3.48Å; I108-R111 CarbonylContact O-C 3.59Å; I108-R111 PolarHBondContact O-N 3.35Å; I108-S112 VanDerWaalsContact O-CB 3.29Å; I108-S112 WeakPolarHBondContact O-CB 3.49Å; I108-S112 PolarHBondContact O-N 3.22Å; I108-S112 PolarHBondContact O-OG 2.65Å; I108-V157 HydrophobicContact CG2-CG1 4.25Å; I108-V157 HydrophobicContact CG2-CG2 4.46Å |
| 109 | K | 82.9 | Confident | 84.9 | Confident | 89 Ų | 89 | 58.7 Ų | 58.7 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 178 | -72 | 170.4 | -168.2 | 172.3 | 0 | 111.7 | K105 T106 R111 S112 E186 | K105-K109 WeakPolarHBondContact O-CG 3.23Å; K105-K109 PolarHBondContact O-N 2.94Å; T106-K109 WeakPolarHBondContact O-CB 3.12Å; T106-K109 PolarHBondContact O-N 3.24Å; K109-R111 VanDerWaalsContact C-N 3.33Å; K109-R111 PolarHBondContact O-N 2.97Å; K109-S112 WeakPolarHBondContact O-CB 3.49Å; K109-S112 PolarHBondContact O-N 3.46Å; K109-E186 HydrophobicContact CB-CG 4.22Å; K109-E186 WeakPolarHBondContact CD-OE1 3.18Å |
| 110 | N | 85 | Confident | 85.4 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.6 | -29.7 | -177.3 | -66.2 | -4.1 | 0 | 0 | 0 | 113.4 | T106 A107 I108 V161 | T106-N110 VanDerWaalsContact O-CG 3.25Å; T106-N110 PolarHBondContact O-N 3.27Å; T106-N110 PolarHBondContact O-OD1 2.83Å; A107-N110 PolarHBondContact O-N 2.6Å; I108-N110 PolarHBondContact O-N 3.48Å; N110-V161 HydrophobicContact CB-CG2 4.25Å |
| 111 | R | 88 | Confident | 86 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 11% | 0.109 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 9.5 | 171.1 | 72 | -156.3 | -179.3 | 107 | 6.5 | 113.8 | A107 I108 K109 E138 V157 F158 D159 V161 A164 | A107-R111 WeakPolarHBondContact O-CD 3.4Å; A107-R111 VanDerWaalsContact O-CG 3.31Å; A107-R111 WeakPolarHBondContact O-CG 3.46Å; A107-R111 PolarHBondContact O-N 3Å; I108-R111 CarbonylContact O-C 3.59Å; I108-R111 PolarHBondContact O-N 3.35Å; K109-R111 VanDerWaalsContact C-N 3.33Å; K109-R111 PolarHBondContact O-N 2.97Å; R111-E138 IonicContact CZ-OE2 3.31Å; R111-E138 IonicContact NH1-OE2 3.41Å; R111-E138 PolarHBondContact NH1-OE2 3.16Å; R111-E138 IonicContact NH2-OE1 2.83Å; R111-E138 IonicContact NH2-OE2 2.86Å; R111-E138 PolarHBondContact NH2-OE2 2.96Å; R111-V157 HydrophobicContact CG-CG1 3.81Å; R111-F158 WeakPolarHBondContact CD-O 3.19Å; R111-F158 VanDerWaalsContact CG-O 3.28Å; R111-F158 WeakPolarHBondContact CG-O 3.42Å; R111-F158 PolarHBondContact NH1-O 2.88Å; R111-F158 PolarHBondContact O-N 3Å; R111-D159 WeakPolarHBondContact CD-O 3.33Å; R111-D159 PolarHBondContact NH1-O 3.17Å; R111-V161 HydrophobicContact CB-CG2 4.24Å; R111-A164 HydrophobicContact CB-CB 4.48Å |
| 112 | S | 88.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.6 | 174.7 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | I108 K109 A156 K185 | I108-S112 VanDerWaalsContact O-CB 3.29Å; I108-S112 WeakPolarHBondContact O-CB 3.49Å; I108-S112 PolarHBondContact O-N 3.22Å; I108-S112 PolarHBondContact O-OG 2.65Å; K109-S112 WeakPolarHBondContact O-CB 3.49Å; K109-S112 PolarHBondContact O-N 3.46Å; S112-A156 CarbonylContact C-O 3.46Å; S112-A156 VanDerWaalsContact CA-O 3.31Å; S112-A156 WeakPolarHBondContact CA-O 3.49Å; S112-K185 VanDerWaalsContact O-CB 3.24Å; S112-K185 WeakPolarHBondContact O-CB 3.37Å; S112-K185 PolarHBondContact O-N 3.24Å; S112-K185 VanDerWaalsContact O-N 3.07Å |
| 113 | V | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 141.8 | 174.8 | -171.5 | 0 | 0 | 0 | 0 | 110.6 | V115 F155 A156 F158 A164 F167 V182 L183 | V113-V115 HydrophobicContact CG1-CG2 4.27Å; V113-F155 CarbonylContact O-C 3.57Å; V113-F155 VanDerWaalsContact O-CA 3.32Å; V113-F155 WeakPolarHBondContact O-CA 3.15Å; V113-A156 PolarHBondContact N-O 3.18Å; V113-A156 PolarHBondContact O-N 3.25Å; V113-F158 HydrophobicContact CB-CE2 4.11Å; V113-F158 HydrophobicContact CG2-CD2 3.95Å; V113-F158 HydrophobicContact CG2-CE2 3.74Å; V113-A164 HydrophobicContact CG2-CB 3.8Å; V113-F167 HydrophobicContact CB-CD1 4.2Å; V113-F167 HydrophobicContact CB-CE1 4.32Å; V113-F167 HydrophobicContact CG1-CD1 3.82Å; V113-F167 HydrophobicContact CG1-CE1 3.8Å; V113-F167 HydrophobicContact CG2-CD1 4.16Å; V113-V182 HydrophobicContact CG1-CG1 3.42Å; V113-V182 VanDerWaalsContact CG1-CG1 3.42Å; V113-L183 WeakPolarHBondContact CG1-O 3.39Å |
| 114 | Y | 91.1 | Very high | 86.9 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.7 | 169.8 | 174.1 | -105.1 | 0 | 0 | 0 | 109.9 | K116 R143 I154 F155 V182 L183 Y188 | Y114-K116 HydrophobicContact CE1-CB 3.81Å; Y114-R143 PolarHBondContact OH-NH1 3.14Å; Y114-I154 WeakPolarHBondContact CD2-O 3.34Å; Y114-F155 AromaticContact CD2-CD1 3.88Å; Y114-F155 HydrophobicContact CD2-CD1 3.88Å; Y114-F155 AromaticContact CD2-CE1 3.5Å; Y114-F155 HydrophobicContact CD2-CE1 3.5Å; Y114-F155 HydrophobicContact CD2-CZ 4.1Å; Y114-F155 HydrophobicContact CE2-CE1 4.44Å; Y114-F155 HydrophobicContact CG-CD1 4.44Å; Y114-F155 HydrophobicContact CG-CE1 4.12Å; Y114-V182 WeakPolarHBondContact O-CA 3.45Å; Y114-L183 WeakPolarHBondContact CB-O 3.45Å; Y114-L183 HydrophobicContact CD1-CB 4.34Å; Y114-L183 HydrophobicContact CD1-CD1 4.41Å; Y114-L183 PolarHBondContact N-O 3.01Å; Y114-L183 PolarHBondContact O-N 2.87Å; Y114-Y188 AromaticContact CD1-CD2 3.55Å; Y114-Y188 HydrophobicContact CD1-CD2 3.55Å; Y114-Y188 HydrophobicContact CD1-CE2 4.21Å; Y114-Y188 AromaticContact CD1-CG 3.86Å; Y114-Y188 HydrophobicContact CD1-CG 3.86Å; Y114-Y188 HydrophobicContact CD2-CD1 4.13Å; Y114-Y188 HydrophobicContact CD2-CD2 4.21Å; Y114-Y188 HydrophobicContact CD2-CE1 4.36Å; Y114-Y188 HydrophobicContact CD2-CE2 4.46Å; Y114-Y188 HydrophobicContact CD2-CG 4.06Å; Y114-Y188 AromaticContact CE1-CD2 3.46Å; Y114-Y188 HydrophobicContact CE1-CD2 3.46Å; Y114-Y188 VanDerWaalsContact CE1-CD2 3.46Å; Y114-Y188 AromaticContact CE1-CE2 3.68Å; Y114-Y188 HydrophobicContact CE1-CE2 3.68Å; Y114-Y188 HydrophobicContact CE1-CG 4.18Å; Y114-Y188 HydrophobicContact CE2-CD1 4.39Å; Y114-Y188 HydrophobicContact CE2-CD2 4.13Å; Y114-Y188 HydrophobicContact CE2-CE1 4.21Å; Y114-Y188 AromaticContact CE2-CE2 3.96Å; Y114-Y188 HydrophobicContact CE2-CE2 3.96Å; Y114-Y188 HydrophobicContact CE2-CG 4.36Å; Y114-Y188 HydrophobicContact CG-CD1 4.25Å; Y114-Y188 AromaticContact CG-CD2 3.9Å; Y114-Y188 HydrophobicContact CG-CD2 3.9Å; Y114-Y188 AromaticContact CG-CG 3.75Å; Y114-Y188 HydrophobicContact CG-CG 3.75Å; Y114-Y188 AromaticContact CZ-CD2 3.74Å; Y114-Y188 AromaticContact CZ-CE2 3.5Å; Y114-Y188 AromaticContact CZ-CZ 3.97Å |
| 115 | V | 90 | Very high | 87.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.8 | 176.6 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | V113 F118 S153 I154 F167 L180 I181 V182 | V113-V115 HydrophobicContact CG1-CG2 4.27Å; V115-F118 HydrophobicContact CB-CE2 3.98Å; V115-F118 HydrophobicContact CG1-CD2 4.47Å; V115-F118 HydrophobicContact CG1-CE2 3.54Å; V115-F118 HydrophobicContact CG1-CZ 4.03Å; V115-S153 CarbonylContact O-C 3.55Å; V115-S153 WeakPolarHBondContact O-CA 3.5Å; V115-S153 WeakPolarHBondContact O-CB 3.41Å; V115-I154 HydrophobicContact CB-CD1 4.37Å; V115-I154 HydrophobicContact CB-CG1 3.91Å; V115-I154 HydrophobicContact CG2-CG1 4.44Å; V115-I154 PolarHBondContact N-O 3.39Å; V115-I154 VanDerWaalsContact N-O 3.12Å; V115-I154 PolarHBondContact O-N 3.36Å; V115-F167 HydrophobicContact CG2-CE1 3.66Å; V115-F167 HydrophobicContact CG2-CZ 3.92Å; V115-L180 HydrophobicContact CG1-CB 4.05Å; V115-L180 HydrophobicContact CG1-CD1 3.87Å; V115-L180 HydrophobicContact CG1-CD2 4.45Å; V115-L180 HydrophobicContact CG1-CG 4.37Å; V115-I181 WeakPolarHBondContact CA-O 3.4Å; V115-V182 HydrophobicContact CG1-CG2 4.3Å; V115-V182 HydrophobicContact CG2-CG2 4.39Å |
| 116 | K | 90.2 | Very high | 87.4 | Confident | 102 Ų | 102 | 45.4 Ų | 45.4 | 44% | 0.443 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.4 | 176.3 | 179.6 | -169.4 | 174.1 | -163.2 | 0 | 110.1 | Y114 G152 L180 I181 | Y114-K116 HydrophobicContact CE1-CB 3.81Å; K116-G152 WeakPolarHBondContact CA-O 3.2Å; K116-L180 CarbonylContact O-C 3.52Å; K116-L180 VanDerWaalsContact O-CA 3.32Å; K116-L180 WeakPolarHBondContact O-CA 3.28Å; K116-I181 HydrophobicContact CB-CB 4.44Å; K116-I181 PolarHBondContact N-O 2.9Å; K116-I181 PolarHBondContact O-N 2.85Å |
| 117 | G | 86.9 | Confident | 87.7 | Confident | 16 Ų | 16 | 42.8 Ų | 42.8 | 17% | 0.165 | 24% | 0.235 | C | C | . | . | trans | 135.3 | -3.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G152 T178 L180 | G117-G152 PolarHBondContact N-O 3.39Å; G117-T178 WeakPolarHBondContact O-CG2 3.3Å; G117-L180 VanDerWaalsContact C-CD2 3.43Å | ||
| 118 | F | 90.3 | Very high | 87.9 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | trans | -63.3 | 141.3 | 168.2 | -61.1 | -77.3 | 0 | 0 | 0 | 110.4 | V115 A122 I127 W130 F150 G152 I154 Y175 L180 | V115-F118 HydrophobicContact CB-CE2 3.98Å; V115-F118 HydrophobicContact CG1-CD2 4.47Å; V115-F118 HydrophobicContact CG1-CE2 3.54Å; V115-F118 HydrophobicContact CG1-CZ 4.03Å; F118-A122 HydrophobicContact CB-CB 4.25Å; F118-I127 HydrophobicContact CD1-CD1 4.29Å; F118-I127 HydrophobicContact CD1-CG1 3.91Å; F118-I127 HydrophobicContact CE1-CG1 3.98Å; F118-I127 HydrophobicContact CG-CD1 4.25Å; F118-I127 HydrophobicContact CG-CG1 4.38Å; F118-I127 HydrophobicContact CZ-CG1 4.49Å; F118-I127 HydrophobicContact CZ-CG2 4.46Å; F118-W130 HydrophobicContact CE1-CD2 4.26Å; F118-W130 AromaticContact CE1-CE3 3.9Å; F118-W130 HydrophobicContact CE1-CE3 3.9Å; F118-W130 HydrophobicContact CE1-CZ3 4.29Å; F118-W130 HydrophobicContact CZ-CD2 4.43Å; F118-W130 AromaticContact CZ-CE3 3.69Å; F118-W130 HydrophobicContact CZ-CE3 3.69Å; F118-W130 HydrophobicContact CZ-CH2 4.36Å; F118-W130 AromaticContact CZ-CZ3 3.66Å; F118-W130 HydrophobicContact CZ-CZ3 3.66Å; F118-F150 HydrophobicContact CB-CE1 3.7Å; F118-F150 HydrophobicContact CB-CZ 3.94Å; F118-G152 PolarHBondContact N-O 2.88Å; F118-G152 WeakPolarHBondContact O-CA 3.44Å; F118-I154 HydrophobicContact CD2-CD1 4.45Å; F118-I154 HydrophobicContact CD2-CG1 4.45Å; F118-I154 HydrophobicContact CD2-CG2 4.28Å; F118-I154 HydrophobicContact CE2-CD1 3.55Å; F118-I154 HydrophobicContact CE2-CG1 3.81Å; F118-I154 HydrophobicContact CE2-CG2 4.34Å; F118-I154 HydrophobicContact CZ-CD1 3.91Å; F118-Y175 HydrophobicContact CD1-CD1 4.02Å; F118-Y175 AromaticContact CD1-CD2 3.96Å; F118-Y175 HydrophobicContact CD1-CD2 3.96Å; F118-Y175 HydrophobicContact CD1-CE1 4.34Å; F118-Y175 HydrophobicContact CD1-CE2 4.3Å; F118-Y175 AromaticContact CD1-CG 3.82Å; F118-Y175 HydrophobicContact CD1-CG 3.82Å; F118-Y175 AromaticContact CE1-CD2 3.76Å; F118-Y175 HydrophobicContact CE1-CD2 3.76Å; F118-Y175 HydrophobicContact CE1-CE2 4.26Å; F118-Y175 AromaticContact CE1-CG 3.96Å; F118-Y175 HydrophobicContact CE1-CG 3.96Å; F118-L180 HydrophobicContact CE1-CD1 4.5Å; F118-L180 HydrophobicContact CZ-CD1 4.21Å | ||
| 119 | P | 88.1 | Confident | 88 | Confident | 41 Ų | 41 | 48.8 Ų | 48.8 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | trans | -71.7 | 163.4 | 175.4 | 34.8 | -38.3 | 0 | 0 | 0 | 110.6 | D121 A122 F150 Y175 | P119-D121 VanDerWaalsContact C-N 3.26Å; P119-D121 WeakPolarHBondContact CB-OD1 3.37Å; P119-D121 WeakPolarHBondContact CG-OD1 3.35Å; P119-D121 PolarHBondContact O-N 3.27Å; P119-A122 HydrophobicContact CG-CB 4.11Å; P119-A122 WeakPolarHBondContact O-CB 3.32Å; P119-A122 PolarHBondContact O-N 3.33Å; P119-F150 WeakPolarHBondContact O-CD1 3.19Å; P119-F150 WeakPolarHBondContact O-CE1 3.35Å; P119-Y175 HydrophobicContact CG-CD1 4.41Å; P119-Y175 HydrophobicContact CG-CE1 4.04Å | ||
| 120 | V | 87.5 | Confident | 88.2 | Confident | 102 Ų | 102 | 46.1 Ų | 46.1 | 62% | 0.618 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -22.3 | -169.1 | 178.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 121 | D | 87.6 | Confident | 88.4 | Confident | 122 Ų | 122 | 43.2 Ų | 43.2 | 65% | 0.652 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -16.9 | 175.3 | 62.3 | -29 | 0 | 0 | 0 | 114 | P119 T123 | P119-D121 VanDerWaalsContact C-N 3.26Å; P119-D121 WeakPolarHBondContact CB-OD1 3.37Å; P119-D121 WeakPolarHBondContact CG-OD1 3.35Å; P119-D121 PolarHBondContact O-N 3.27Å; D121-T123 PolarHBondContact O-N 2.9Å |
| 122 | A | 87.6 | Confident | 88.2 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 5% | 0.05 | 25% | 0.25 | C | C | . | . | trans | -55.6 | 127.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F118 P119 I127 M142 F150 | F118-A122 HydrophobicContact CB-CB 4.25Å; P119-A122 HydrophobicContact CG-CB 4.11Å; P119-A122 WeakPolarHBondContact O-CB 3.32Å; P119-A122 PolarHBondContact O-N 3.33Å; A122-I127 HydrophobicContact CB-CD1 4.4Å; A122-M142 VanDerWaalsContact O-CE 3.31Å; A122-M142 WeakPolarHBondContact O-CE 2.95Å; A122-F150 HydrophobicContact CB-CE1 4.14Å | ||
| 123 | T | 87.7 | Confident | 87.9 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 38% | 0.38 | 28% | 0.284 | S | S | . | . | trans | -83.5 | 168.6 | 178.6 | 84.7 | 0 | 0 | 0 | 0 | 111 | D121 D125 D126 I127 | D121-T123 PolarHBondContact O-N 2.9Å; T123-D125 PolarHBondContact OG1-N 3.42Å; T123-D126 PolarHBondContact N-OD2 2.85Å; T123-D126 PolarHBondContact OG1-N 3.37Å; T123-D126 PolarHBondContact OG1-OD1 2.66Å; T123-D126 PolarHBondContact OG1-OD2 3.06Å; T123-I127 WeakPolarHBondContact O-CD1 3.42Å; T123-I127 VanDerWaalsContact O-CG1 3.26Å; T123-I127 WeakPolarHBondContact O-CG1 3.14Å; T123-I127 PolarHBondContact O-N 3.06Å | ||
| 124 | L | 86.8 | Confident | 87.4 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 23% | 0.23 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.8 | -30.9 | 174 | -168.3 | 150.3 | 0 | 0 | 0 | 111.1 | I127 K128 M142 | L124-I127 PolarHBondContact O-N 2.82Å; L124-K128 HydrophobicContact CD2-CD 4Å; L124-K128 HydrophobicContact CD2-CG 4.02Å; L124-K128 PolarHBondContact O-N 3.31Å; L124-M142 HydrophobicContact CB-SD 3.71Å; L124-M142 HydrophobicContact CD1-CG 4.41Å; L124-M142 HydrophobicContact CD1-SD 4.11Å; L124-M142 HydrophobicContact CG-SD 4.17Å |
| 125 | D | 86.8 | Confident | 86.9 | Confident | 85 Ų | 85 | 59 Ų | 59 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75 | -39.7 | -176 | -57.6 | -50.8 | 0 | 0 | 0 | 110.4 | R57 T123 I127 K128 E129 | R57-D125 IonicContact CZ-OD1 2.72Å; R57-D125 IonicContact NH2-OD1 3.96Å; R57-D125 PolarHBondContact NH2-OD1 2.92Å; T123-D125 PolarHBondContact OG1-N 3.42Å; D125-I127 PolarHBondContact O-N 2.98Å; D125-K128 WeakPolarHBondContact O-CB 3.42Å; D125-K128 PolarHBondContact O-N 3.08Å; D125-K128 VanDerWaalsContact O-N 3.13Å; D125-E129 PolarHBondContact O-N 3.37Å |
| 126 | D | 88.9 | Confident | 86.6 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61 | -34.6 | 171.3 | -31.4 | -30.6 | 0 | 0 | 0 | 112.1 | T123 W130 Y175 | T123-D126 PolarHBondContact N-OD2 2.85Å; T123-D126 PolarHBondContact OG1-N 3.37Å; T123-D126 PolarHBondContact OG1-OD1 2.66Å; T123-D126 PolarHBondContact OG1-OD2 3.06Å; D126-W130 WeakPolarHBondContact O-CB 3.26Å; D126-W130 PolarHBondContact O-N 2.62Å; D126-W130 VanDerWaalsContact O-N 3.16Å; D126-Y175 VanDerWaalsContact CB-OH 3.32Å; D126-Y175 WeakPolarHBondContact CB-OH 3.46Å |
| 127 | I | 89.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75.8 | -30.8 | 178.7 | -67.7 | 170.9 | 0 | 0 | 0 | 111.2 | F118 A122 T123 L124 D125 L131 I140 M142 F150 I154 | F118-I127 HydrophobicContact CD1-CD1 4.29Å; F118-I127 HydrophobicContact CD1-CG1 3.91Å; F118-I127 HydrophobicContact CE1-CG1 3.98Å; F118-I127 HydrophobicContact CG-CD1 4.25Å; F118-I127 HydrophobicContact CG-CG1 4.38Å; F118-I127 HydrophobicContact CZ-CG1 4.49Å; F118-I127 HydrophobicContact CZ-CG2 4.46Å; A122-I127 HydrophobicContact CB-CD1 4.4Å; T123-I127 WeakPolarHBondContact O-CD1 3.42Å; T123-I127 VanDerWaalsContact O-CG1 3.26Å; T123-I127 WeakPolarHBondContact O-CG1 3.14Å; T123-I127 PolarHBondContact O-N 3.06Å; L124-I127 PolarHBondContact O-N 2.82Å; D125-I127 PolarHBondContact O-N 2.98Å; I127-L131 HydrophobicContact CG2-CD1 3.99Å; I127-L131 WeakPolarHBondContact O-CB 3.39Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.49Å; I127-L131 VanDerWaalsContact O-N 3.17Å; I127-I140 HydrophobicContact CG2-CG2 3.96Å; I127-M142 HydrophobicContact CD1-CE 3.9Å; I127-M142 HydrophobicContact CD1-CG 4.47Å; I127-F150 HydrophobicContact CD1-CE1 4.37Å; I127-F150 HydrophobicContact CD1-CZ 3.98Å; I127-I154 HydrophobicContact CD1-CG2 3.94Å; I127-I154 HydrophobicContact CG2-CD1 3.6Å; I127-I154 HydrophobicContact CG2-CG2 4.44Å |
| 128 | K | 87.3 | Confident | 86.3 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 23% | 0.226 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.9 | -54.3 | 171.2 | -87.7 | -176.1 | 157.6 | -151.9 | 0 | 110.6 | L124 D125 W130 L131 E132 I140 | L124-K128 HydrophobicContact CD2-CD 4Å; L124-K128 HydrophobicContact CD2-CG 4.02Å; L124-K128 PolarHBondContact O-N 3.31Å; D125-K128 WeakPolarHBondContact O-CB 3.42Å; D125-K128 PolarHBondContact O-N 3.08Å; D125-K128 VanDerWaalsContact O-N 3.13Å; K128-W130 VanDerWaalsContact C-N 3.29Å; K128-W130 PolarHBondContact O-N 3.01Å; K128-L131 CarbonylContact O-C 3.6Å; K128-L131 WeakPolarHBondContact O-CA 3.32Å; K128-L131 PolarHBondContact O-N 3.24Å; K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.27Å; K128-I140 HydrophobicContact CB-CD1 4.49Å; K128-I140 HydrophobicContact CG-CD1 3.64Å |
| 129 | E | 87.3 | Confident | 86.2 | Confident | 142 Ų | 142 | 62.4 Ų | 62.4 | 66% | 0.664 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -54.1 | -46.6 | 180 | -174 | 176.5 | 170.9 | 0 | 0 | 111.1 | D125 L131 E132 | D125-E129 PolarHBondContact O-N 3.37Å; E129-L131 VanDerWaalsContact C-N 3.3Å; E129-L131 PolarHBondContact O-N 2.92Å; E129-E132 PolarHBondContact O-N 3.38Å |
| 130 | W | 87.7 | Confident | 86.3 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.6 | -25.2 | 176.3 | -179.7 | 82.3 | 0 | 0 | 0 | 114.7 | F118 D126 K128 K134 F167 Q173 K174 Y175 L180 | F118-W130 HydrophobicContact CE1-CD2 4.26Å; F118-W130 AromaticContact CE1-CE3 3.9Å; F118-W130 HydrophobicContact CE1-CE3 3.9Å; F118-W130 HydrophobicContact CE1-CZ3 4.29Å; F118-W130 HydrophobicContact CZ-CD2 4.43Å; F118-W130 AromaticContact CZ-CE3 3.69Å; F118-W130 HydrophobicContact CZ-CE3 3.69Å; F118-W130 HydrophobicContact CZ-CH2 4.36Å; F118-W130 AromaticContact CZ-CZ3 3.66Å; F118-W130 HydrophobicContact CZ-CZ3 3.66Å; D126-W130 WeakPolarHBondContact O-CB 3.26Å; D126-W130 PolarHBondContact O-N 2.62Å; D126-W130 VanDerWaalsContact O-N 3.16Å; K128-W130 VanDerWaalsContact C-N 3.29Å; K128-W130 PolarHBondContact O-N 3.01Å; W130-K134 WeakPolarHBondContact O-CG 3.35Å; W130-F167 AromaticContact CH2-CE2 3.88Å; W130-F167 HydrophobicContact CH2-CE2 3.88Å; W130-F167 AromaticContact CH2-CZ 3.74Å; W130-F167 HydrophobicContact CH2-CZ 3.74Å; W130-F167 HydrophobicContact CZ3-CE2 4.24Å; W130-F167 HydrophobicContact CZ3-CZ 4.01Å; W130-Q173 HydrophobicContact CZ2-CB 4.35Å; W130-K174 PolarHBondContact NE1-O 3.42Å; W130-Y175 HydrophobicContact CB-CD2 4.12Å; W130-Y175 HydrophobicContact CB-CE2 4.05Å; W130-Y175 AromaticContact CD1-CD2 3.66Å; W130-Y175 HydrophobicContact CD2-CD2 4.19Å; W130-Y175 AromaticContact CG-CD2 3.69Å; W130-Y175 HydrophobicContact CG-CD2 3.69Å; W130-Y175 HydrophobicContact CG-CE2 4.14Å; W130-L180 HydrophobicContact CH2-CD1 3.29Å; W130-L180 HydrophobicContact CZ2-CD1 3.19Å; W130-L180 HydrophobicContact CZ3-CD1 4.11Å |
| 131 | L | 87.3 | Confident | 86.3 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -87 | -24.1 | 176.1 | -80 | 171 | 0 | 0 | 0 | 113.4 | I127 K128 E129 D133 K134 G135 V137 I140 I154 A156 F158 F167 | I127-L131 HydrophobicContact CG2-CD1 3.99Å; I127-L131 WeakPolarHBondContact O-CB 3.39Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.49Å; I127-L131 VanDerWaalsContact O-N 3.17Å; K128-L131 CarbonylContact O-C 3.6Å; K128-L131 WeakPolarHBondContact O-CA 3.32Å; K128-L131 PolarHBondContact O-N 3.24Å; E129-L131 VanDerWaalsContact C-N 3.3Å; E129-L131 PolarHBondContact O-N 2.92Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.22Å; L131-K134 WeakPolarHBondContact O-CA 3.34Å; L131-K134 WeakPolarHBondContact O-CB 3.27Å; L131-K134 PolarHBondContact O-N 3.04Å; L131-G135 PolarHBondContact O-N 2.99Å; L131-V137 HydrophobicContact CB-CG2 4.09Å; L131-V137 HydrophobicContact CD1-CG1 4.5Å; L131-V137 HydrophobicContact CD1-CG2 4.29Å; L131-V137 HydrophobicContact CD2-CG2 4.29Å; L131-V137 HydrophobicContact CG-CG2 4.45Å; L131-I140 HydrophobicContact CD1-CD1 3.67Å; L131-I140 HydrophobicContact CD1-CG1 3.82Å; L131-I154 HydrophobicContact CD1-CD1 4.14Å; L131-A156 HydrophobicContact CD1-CB 4.23Å; L131-F158 HydrophobicContact CD2-CZ 4.44Å; L131-F167 HydrophobicContact CD2-CE2 4.17Å; L131-F167 HydrophobicContact CD2-CZ 4.15Å |
| 132 | E | 84.6 | Confident | 86.4 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 62% | 0.617 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -59.3 | -40.4 | 178.4 | -78 | 170.5 | -158.4 | 0 | 0 | 111.2 | K128 E129 K134 | K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.27Å; E129-E132 PolarHBondContact O-N 3.38Å; E132-K134 PolarHBondContact O-N 3.02Å; E132-K134 VanDerWaalsContact O-N 3.11Å |
| 133 | D | 81.8 | Confident | 86.5 | Confident | 135 Ų | 135 | 57 Ų | 57 | 72% | 0.722 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -12 | 172.1 | -78.7 | -18.7 | 0 | 0 | 0 | 114.9 | L131 | L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.22Å |
| 134 | K | 81.3 | Confident | 86.5 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 35% | 0.348 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -7.3 | -168.8 | -56.2 | -59.2 | 174.8 | -141.2 | 0 | 113.6 | W130 L131 E132 F167 | W130-K134 WeakPolarHBondContact O-CG 3.35Å; L131-K134 WeakPolarHBondContact O-CA 3.34Å; L131-K134 WeakPolarHBondContact O-CB 3.27Å; L131-K134 PolarHBondContact O-N 3.04Å; E132-K134 PolarHBondContact O-N 3.02Å; E132-K134 VanDerWaalsContact O-N 3.11Å; K134-F167 HydrophobicContact CB-CD2 3.77Å; K134-F167 HydrophobicContact CB-CE2 3.84Å; K134-F167 HydrophobicContact CG-CD2 4.25Å; K134-F167 HydrophobicContact CG-CE2 3.95Å |
| 135 | G | 81.1 | Confident | 86.4 | Confident | 24 Ų | 24 | 60 Ų | 60 | 25% | 0.247 | 30% | 0.298 | C | S | . | . | trans | 129.1 | 173 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L131 V137 | L131-G135 PolarHBondContact O-N 2.99Å; G135-V137 PolarHBondContact O-N 3.04Å; G135-V137 VanDerWaalsContact O-N 3.16Å | ||
| 136 | P | 82.9 | Confident | 86.3 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 47% | 0.474 | 32% | 0.318 | S | S | . | . | trans | -66.7 | 113.5 | -179.3 | 27.2 | -35.2 | 0 | 0 | 0 | 111.7 | D159 | P136-D159 HydrophobicContact CB-CB 4.39Å; P136-D159 HydrophobicContact CG-CB 4.24Å; P136-D159 VanDerWaalsContact CG-CG 3.5Å; P136-D159 WeakPolarHBondContact CG-OD1 3.24Å; P136-D159 PolarHBondContact O-N 2.92Å; P136-D159 VanDerWaalsContact O-N 3.13Å | ||
| 137 | V | 86.8 | Confident | 86.1 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.6 | 176.2 | -179 | 0 | 0 | 0 | 0 | 110.1 | L131 G135 N139 I140 A156 V157 F158 | L131-V137 HydrophobicContact CB-CG2 4.09Å; L131-V137 HydrophobicContact CD1-CG1 4.5Å; L131-V137 HydrophobicContact CD1-CG2 4.29Å; L131-V137 HydrophobicContact CD2-CG2 4.29Å; L131-V137 HydrophobicContact CG-CG2 4.45Å; G135-V137 PolarHBondContact O-N 3.04Å; G135-V137 VanDerWaalsContact O-N 3.16Å; V137-N139 WeakPolarHBondContact CG1-O 3.43Å; V137-I140 HydrophobicContact CG1-CD1 4.31Å; V137-I140 HydrophobicContact CG1-CG1 3.63Å; V137-A156 HydrophobicContact CG1-CB 4.21Å; V137-V157 WeakPolarHBondContact CG1-O 3.43Å; V137-F158 HydrophobicContact CG2-CD1 3.85Å; V137-F158 HydrophobicContact CG2-CE1 3.62Å; V137-F158 HydrophobicContact CG2-CZ 4.14Å |
| 138 | E | 84.7 | Confident | 85.8 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -32.3 | -179.7 | -160.3 | -170.1 | 156.9 | 0 | 0 | 111.9 | H28 R111 V157 | H28-E138 IonicContact CD2-OE1 2.6Å; H28-E138 PolarHBondContact CD2-OE1 3.24Å; H28-E138 IonicContact CD2-OE2 3.17Å; H28-E138 IonicContact NE2-OE1 3.87Å; H28-E138 PolarHBondContact NE2-OE1 2.76Å; H28-E138 IonicContact NE2-OE2 3Å; H28-E138 PolarHBondContact NE2-OE2 3.46Å; R111-E138 IonicContact CZ-OE2 3.31Å; R111-E138 IonicContact NH1-OE2 3.41Å; R111-E138 PolarHBondContact NH1-OE2 3.16Å; R111-E138 IonicContact NH2-OE1 2.83Å; R111-E138 IonicContact NH2-OE2 2.86Å; R111-E138 PolarHBondContact NH2-OE2 2.96Å; E138-V157 PolarHBondContact N-O 3.21Å |
| 139 | N | 86.9 | Confident | 85.8 | Confident | 9 Ų | 9 | 78 Ų | 78 | 5% | 0.048 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 137.6 | -177.4 | -178.6 | 17.3 | 0 | 0 | 0 | 113 | Y23 H28 V137 A156 V157 | Y23-N139 PolarHBondContact OH-OD1 3.31Å; H28-N139 HydrophobicContact CB-CB 3.99Å; H28-N139 WeakPolarHBondContact CB-ND2 3.15Å; H28-N139 PolarHBondContact ND1-ND2 2.91Å; V137-N139 WeakPolarHBondContact CG1-O 3.43Å; N139-A156 CarbonylContact O-C 3.57Å; N139-A156 WeakPolarHBondContact O-CA 3.42Å; N139-V157 HydrophobicContact CB-CB 4.12Å; N139-V157 HydrophobicContact CB-CG2 4.13Å; N139-V157 PolarHBondContact N-O 2.84Å; N139-V157 PolarHBondContact O-N 2.83Å |
| 140 | I | 89.7 | Confident | 85.9 | Confident | 19 Ų | 19 | 71.7 Ų | 71.7 | 10% | 0.097 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 108.9 | 176.8 | -58.8 | 165.8 | 0 | 0 | 0 | 109.2 | I127 K128 L131 V137 I154 | I127-I140 HydrophobicContact CG2-CG2 3.96Å; K128-I140 HydrophobicContact CB-CD1 4.49Å; K128-I140 HydrophobicContact CG-CD1 3.64Å; L131-I140 HydrophobicContact CD1-CD1 3.67Å; L131-I140 HydrophobicContact CD1-CG1 3.82Å; V137-I140 HydrophobicContact CG1-CD1 4.31Å; V137-I140 HydrophobicContact CG1-CG1 3.63Å; I140-I154 HydrophobicContact CG2-CD1 4.43Å |
| 141 | Q | 88.5 | Confident | 85.9 | Confident | 82 Ų | 82 | 75.1 Ų | 75.1 | 38% | 0.383 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 96.6 | 176.8 | -173.9 | 175.8 | -11.3 | 0 | 0 | 110.9 | R143 I154 F155 | Q141-R143 PolarHBondContact O-N 3.16Å; Q141-I154 WeakPolarHBondContact O-CA 3.35Å; Q141-F155 HydrophobicContact CB-CB 4.4Å; Q141-F155 PolarHBondContact N-O 2.83Å; Q141-F155 PolarHBondContact O-N 2.93Å |
| 142 | M | 89.9 | Confident | 85.9 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 126.8 | 171.5 | -64.9 | 178.8 | 88.6 | 0 | 0 | 111.5 | A122 L124 I127 R144 F150 I154 | A122-M142 VanDerWaalsContact O-CE 3.31Å; A122-M142 WeakPolarHBondContact O-CE 2.95Å; L124-M142 HydrophobicContact CB-SD 3.71Å; L124-M142 HydrophobicContact CD1-CG 4.41Å; L124-M142 HydrophobicContact CD1-SD 4.11Å; L124-M142 HydrophobicContact CG-SD 4.17Å; I127-M142 HydrophobicContact CD1-CE 3.9Å; I127-M142 HydrophobicContact CD1-CG 4.47Å; M142-R144 PolarHBondContact O-N 3.48Å; M142-F150 HydrophobicContact CB-CD2 4.17Å; M142-F150 HydrophobicContact CB-CE2 3.96Å; M142-F150 HydrophobicContact CE-CD1 4.12Å; M142-F150 HydrophobicContact CE-CD2 3.75Å; M142-F150 HydrophobicContact CE-CE1 4.13Å; M142-F150 HydrophobicContact CE-CE2 3.75Å; M142-F150 HydrophobicContact CE-CG 3.95Å; M142-F150 HydrophobicContact CE-CZ 3.95Å; M142-F150 HydrophobicContact CG-CE2 4.25Å; M142-I154 HydrophobicContact CG-CG2 4.24Å |
| 143 | R | 88.6 | Confident | 86.2 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.5 | -179 | -55.1 | 175.6 | 69.4 | -137.6 | 16.3 | 109.9 | Y114 Q141 F150 K151 S153 F155 Y188 | Y114-R143 PolarHBondContact OH-NH1 3.14Å; Q141-R143 PolarHBondContact O-N 3.16Å; R143-F150 WeakPolarHBondContact O-CD2 3.39Å; R143-K151 HydrophobicContact CB-CD 4.49Å; R143-K151 WeakPolarHBondContact O-CB 3.26Å; R143-K151 PolarHBondContact O-N 2.79Å; R143-S153 WeakPolarHBondContact CB-O 3.41Å; R143-S153 WeakPolarHBondContact CG-O 3.19Å; R143-S153 PolarHBondContact N-O 3.4Å; R143-S153 PolarHBondContact NH1-OG 2.9Å; R143-F155 HydrophobicContact CG-CD2 4.01Å; R143-F155 HydrophobicContact CG-CE2 4.04Å; R143-Y188 PolarHBondContact NH1-OH 3.3Å; R143-Y188 PolarHBondContact NH2-OH 3.29Å |
| 144 | R | 88.5 | Confident | 86.7 | Confident | 126 Ų | 126 | 62.7 Ų | 62.7 | 48% | 0.475 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 161.1 | -179.8 | -67.4 | 174.5 | -179.1 | -85.4 | -5.7 | 112 | M142 K148 T149 K151 | M142-R144 PolarHBondContact O-N 3.48Å; R144-K148 WeakPolarHBondContact CD-O 3.44Å; R144-K148 PolarHBondContact NH1-O 3.04Å; R144-T149 CarbonylContact C-O 3.53Å; R144-T149 WeakPolarHBondContact CA-O 3.18Å; R144-T149 WeakPolarHBondContact CB-O 3.34Å; R144-K151 WeakPolarHBondContact O-CD 3.45Å; R144-K151 WeakPolarHBondContact O-CE 3.33Å; R144-K151 PolarHBondContact O-NZ 2.97Å |
| 145 | T | 84.4 | Confident | 87.1 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | trans | -77.5 | 173.7 | 167 | 66.3 | 0 | 0 | 0 | 0 | 110.4 | Q147 K148 T149 K151 | T145-Q147 PolarHBondContact O-N 2.78Å; T145-Q147 PolarHBondContact OG1-N 2.69Å; T145-K148 PolarHBondContact O-N 3.29Å; T145-K148 PolarHBondContact OG1-N 3.35Å; T145-T149 VanDerWaalsContact CG2-OG1 3.28Å; T145-T149 WeakPolarHBondContact CG2-OG1 3.26Å; T145-T149 PolarHBondContact N-O 3.45Å; T145-T149 PolarHBondContact OG1-N 2.9Å; T145-T149 PolarHBondContact OG1-O 3.17Å; T145-T149 PolarHBondContact OG1-OG1 3.32Å; T145-K151 HydrophobicContact CG2-CD 4.37Å; T145-K151 HydrophobicContact CG2-CG 3.76Å | ||
| 146 | L | 85.5 | Confident | 87.6 | Confident | 166 Ų | 166 | 59.1 Ų | 59.1 | 87% | 0.869 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.3 | 170 | -165.6 | 67.9 | 0 | 0 | 0 | 111.8 | K148 | L146-K148 PolarHBondContact O-N 3.35Š|
| 147 | Q | 84.3 | Confident | 88 | Confident | 163 Ų | 163 | 56 Ų | 56 | 76% | 0.762 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 11.3 | 174 | -63.2 | 166.7 | -26.2 | 0 | 0 | 113 | T145 T149 | T145-Q147 PolarHBondContact O-N 2.78Å; T145-Q147 PolarHBondContact OG1-N 2.69Å; Q147-T149 HydrophobicContact CB-CG2 4.45Å; Q147-T149 PolarHBondContact O-N 3.23Å |
| 148 | K | 82.6 | Confident | 88.1 | Confident | 167 Ų | 167 | 54 Ų | 54 | 73% | 0.726 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 61.6 | 0.7 | -176.5 | -56.1 | 179.5 | -179.6 | 177 | 0 | 115.9 | R144 T145 L146 | R144-K148 WeakPolarHBondContact CD-O 3.44Å; R144-K148 PolarHBondContact NH1-O 3.04Å; T145-K148 PolarHBondContact O-N 3.29Å; T145-K148 PolarHBondContact OG1-N 3.35Å; L146-K148 PolarHBondContact O-N 3.35Å |
| 149 | T | 86.9 | Confident | 88.3 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | trans | -66.4 | 145.4 | 173.6 | 59.5 | 0 | 0 | 0 | 0 | 111 | R144 T145 Q147 | R144-T149 CarbonylContact C-O 3.53Å; R144-T149 WeakPolarHBondContact CA-O 3.18Å; R144-T149 WeakPolarHBondContact CB-O 3.34Å; T145-T149 VanDerWaalsContact CG2-OG1 3.28Å; T145-T149 WeakPolarHBondContact CG2-OG1 3.26Å; T145-T149 PolarHBondContact N-O 3.45Å; T145-T149 PolarHBondContact OG1-N 2.9Å; T145-T149 PolarHBondContact OG1-O 3.17Å; T145-T149 PolarHBondContact OG1-OG1 3.32Å; Q147-T149 HydrophobicContact CB-CG2 4.45Å; Q147-T149 PolarHBondContact O-N 3.23Å | ||
| 150 | F | 89.8 | Confident | 88.3 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 4% | 0.044 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 138.7 | -178.5 | -180 | -133.2 | 0 | 0 | 0 | 111.1 | F118 P119 A122 I127 M142 R143 S153 I154 | F118-F150 HydrophobicContact CB-CE1 3.7Å; F118-F150 HydrophobicContact CB-CZ 3.94Å; P119-F150 WeakPolarHBondContact O-CD1 3.19Å; P119-F150 WeakPolarHBondContact O-CE1 3.35Å; A122-F150 HydrophobicContact CB-CE1 4.14Å; I127-F150 HydrophobicContact CD1-CE1 4.37Å; I127-F150 HydrophobicContact CD1-CZ 3.98Å; M142-F150 HydrophobicContact CB-CD2 4.17Å; M142-F150 HydrophobicContact CB-CE2 3.96Å; M142-F150 HydrophobicContact CE-CD1 4.12Å; M142-F150 HydrophobicContact CE-CD2 3.75Å; M142-F150 HydrophobicContact CE-CE1 4.13Å; M142-F150 HydrophobicContact CE-CE2 3.75Å; M142-F150 HydrophobicContact CE-CG 3.95Å; M142-F150 HydrophobicContact CE-CZ 3.95Å; M142-F150 HydrophobicContact CG-CE2 4.25Å; R143-F150 WeakPolarHBondContact O-CD2 3.39Å; F150-S153 VanDerWaalsContact CE2-O 3.26Å; F150-S153 WeakPolarHBondContact CE2-O 3.31Å; F150-I154 HydrophobicContact CE2-CG2 4.03Å; F150-I154 HydrophobicContact CZ-CG2 3.98Å |
| 151 | K | 86.9 | Confident | 88.2 | Confident | 105 Ų | 105 | 57.9 Ų | 57.9 | 46% | 0.457 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 13.5 | -178.2 | -68.9 | 174 | 166.4 | 152.7 | 0 | 113.8 | R143 R144 T145 S153 | R143-K151 HydrophobicContact CB-CD 4.49Å; R143-K151 WeakPolarHBondContact O-CB 3.26Å; R143-K151 PolarHBondContact O-N 2.79Å; R144-K151 WeakPolarHBondContact O-CD 3.45Å; R144-K151 WeakPolarHBondContact O-CE 3.33Å; R144-K151 PolarHBondContact O-NZ 2.97Å; T145-K151 HydrophobicContact CG2-CD 4.37Å; T145-K151 HydrophobicContact CG2-CG 3.76Å; K151-S153 PolarHBondContact O-N 2.95Å; K151-S153 VanDerWaalsContact O-N 3.17Å; K151-S153 PolarHBondContact O-OG 3.44Å |
| 152 | G | 88.6 | Confident | 88.1 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 7% | 0.072 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.6 | 25.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K116 G117 F118 | K116-G152 WeakPolarHBondContact CA-O 3.2Å; G117-G152 PolarHBondContact N-O 3.39Å; F118-G152 PolarHBondContact N-O 2.88Å; F118-G152 WeakPolarHBondContact O-CA 3.44Å |
| 153 | S | 89.5 | Confident | 88 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146.8 | -179.6 | 51.3 | 0 | 0 | 0 | 0 | 113 | V115 R143 F150 K151 | V115-S153 CarbonylContact O-C 3.55Å; V115-S153 WeakPolarHBondContact O-CA 3.5Å; V115-S153 WeakPolarHBondContact O-CB 3.41Å; R143-S153 WeakPolarHBondContact CB-O 3.41Å; R143-S153 WeakPolarHBondContact CG-O 3.19Å; R143-S153 PolarHBondContact N-O 3.4Å; R143-S153 PolarHBondContact NH1-OG 2.9Å; F150-S153 VanDerWaalsContact CE2-O 3.26Å; F150-S153 WeakPolarHBondContact CE2-O 3.31Å; K151-S153 PolarHBondContact O-N 2.95Å; K151-S153 VanDerWaalsContact O-N 3.17Å; K151-S153 PolarHBondContact O-OG 3.44Å |
| 154 | I | 92.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 162.6 | -177.8 | 68.1 | 179.6 | 0 | 0 | 0 | 110.7 | Y114 V115 F118 I127 L131 I140 Q141 M142 F150 | Y114-I154 WeakPolarHBondContact CD2-O 3.34Å; V115-I154 HydrophobicContact CB-CD1 4.37Å; V115-I154 HydrophobicContact CB-CG1 3.91Å; V115-I154 HydrophobicContact CG2-CG1 4.44Å; V115-I154 PolarHBondContact N-O 3.39Å; V115-I154 VanDerWaalsContact N-O 3.12Å; V115-I154 PolarHBondContact O-N 3.36Å; F118-I154 HydrophobicContact CD2-CD1 4.45Å; F118-I154 HydrophobicContact CD2-CG1 4.45Å; F118-I154 HydrophobicContact CD2-CG2 4.28Å; F118-I154 HydrophobicContact CE2-CD1 3.55Å; F118-I154 HydrophobicContact CE2-CG1 3.81Å; F118-I154 HydrophobicContact CE2-CG2 4.34Å; F118-I154 HydrophobicContact CZ-CD1 3.91Å; I127-I154 HydrophobicContact CD1-CG2 3.94Å; I127-I154 HydrophobicContact CG2-CD1 3.6Å; I127-I154 HydrophobicContact CG2-CG2 4.44Å; L131-I154 HydrophobicContact CD1-CD1 4.14Å; I140-I154 HydrophobicContact CG2-CD1 4.43Å; Q141-I154 WeakPolarHBondContact O-CA 3.35Å; M142-I154 HydrophobicContact CG-CG2 4.24Å; F150-I154 HydrophobicContact CE2-CG2 4.03Å; F150-I154 HydrophobicContact CZ-CG2 3.98Å |
| 155 | F | 91.3 | Very high | 87.8 | Confident | 30 Ų | 30 | 57 Ų | 57 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.4 | 153.5 | -63 | -70.3 | 0 | 0 | 0 | 108.3 | V113 Y114 Q141 R143 K185 Y188 | V113-F155 CarbonylContact O-C 3.57Å; V113-F155 VanDerWaalsContact O-CA 3.32Å; V113-F155 WeakPolarHBondContact O-CA 3.15Å; Y114-F155 AromaticContact CD2-CD1 3.88Å; Y114-F155 HydrophobicContact CD2-CD1 3.88Å; Y114-F155 AromaticContact CD2-CE1 3.5Å; Y114-F155 HydrophobicContact CD2-CE1 3.5Å; Y114-F155 HydrophobicContact CD2-CZ 4.1Å; Y114-F155 HydrophobicContact CE2-CE1 4.44Å; Y114-F155 HydrophobicContact CG-CD1 4.44Å; Y114-F155 HydrophobicContact CG-CE1 4.12Å; Q141-F155 HydrophobicContact CB-CB 4.4Å; Q141-F155 PolarHBondContact N-O 2.83Å; Q141-F155 PolarHBondContact O-N 2.93Å; R143-F155 HydrophobicContact CG-CD2 4.01Å; R143-F155 HydrophobicContact CG-CE2 4.04Å; F155-K185 HydrophobicContact CD1-CB 4.47Å; F155-K185 HydrophobicContact CD1-CD 4.12Å; F155-K185 HydrophobicContact CD1-CG 4.05Å; F155-K185 HydrophobicContact CE1-CD 4.35Å; F155-K185 HydrophobicContact CE1-CG 3.9Å; F155-Y188 AromaticContact CE1-CD1 3.88Å; F155-Y188 HydrophobicContact CE1-CD1 3.88Å; F155-Y188 HydrophobicContact CE1-CE1 4.35Å; F155-Y188 AromaticContact CZ-CD1 3.91Å; F155-Y188 HydrophobicContact CZ-CD1 3.91Å; F155-Y188 AromaticContact CZ-CE1 3.95Å; F155-Y188 HydrophobicContact CZ-CE1 3.95Å |
| 156 | A | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S112 V113 L131 V137 N139 F158 | S112-A156 CarbonylContact C-O 3.46Å; S112-A156 VanDerWaalsContact CA-O 3.31Å; S112-A156 WeakPolarHBondContact CA-O 3.49Å; V113-A156 PolarHBondContact N-O 3.18Å; V113-A156 PolarHBondContact O-N 3.25Å; L131-A156 HydrophobicContact CD1-CB 4.23Å; V137-A156 HydrophobicContact CG1-CB 4.21Å; N139-A156 CarbonylContact O-C 3.57Å; N139-A156 WeakPolarHBondContact O-CA 3.42Å; A156-F158 HydrophobicContact CB-CE2 4.23Å |
| 157 | V | 90.9 | Very high | 87.9 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 114.3 | 172.6 | -170.9 | 0 | 0 | 0 | 0 | 107.6 | I108 R111 V137 E138 N139 | I108-V157 HydrophobicContact CG2-CG1 4.25Å; I108-V157 HydrophobicContact CG2-CG2 4.46Å; R111-V157 HydrophobicContact CG-CG1 3.81Å; V137-V157 WeakPolarHBondContact CG1-O 3.43Å; E138-V157 PolarHBondContact N-O 3.21Å; N139-V157 HydrophobicContact CB-CB 4.12Å; N139-V157 HydrophobicContact CB-CG2 4.13Å; N139-V157 PolarHBondContact N-O 2.84Å; N139-V157 PolarHBondContact O-N 2.83Å |
| 158 | F | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 160.5 | 176.7 | -69.3 | -90.7 | 0 | 0 | 0 | 111.2 | R111 V113 L131 V137 A156 S160 A164 F167 | R111-F158 WeakPolarHBondContact CD-O 3.19Å; R111-F158 VanDerWaalsContact CG-O 3.28Å; R111-F158 WeakPolarHBondContact CG-O 3.42Å; R111-F158 PolarHBondContact NH1-O 2.88Å; R111-F158 PolarHBondContact O-N 3Å; V113-F158 HydrophobicContact CB-CE2 4.11Å; V113-F158 HydrophobicContact CG2-CD2 3.95Å; V113-F158 HydrophobicContact CG2-CE2 3.74Å; L131-F158 HydrophobicContact CD2-CZ 4.44Å; V137-F158 HydrophobicContact CG2-CD1 3.85Å; V137-F158 HydrophobicContact CG2-CE1 3.62Å; V137-F158 HydrophobicContact CG2-CZ 4.14Å; A156-F158 HydrophobicContact CB-CE2 4.23Å; F158-S160 VanDerWaalsContact C-N 3.33Å; F158-S160 PolarHBondContact O-N 3.05Å; F158-A164 HydrophobicContact CB-CB 4.29Å; F158-A164 HydrophobicContact CD2-CB 3.9Å; F158-A164 HydrophobicContact CG-CB 4.32Å; F158-F167 HydrophobicContact CE1-CB 4.38Å; F158-F167 HydrophobicContact CE1-CG 4.36Å; F158-F167 HydrophobicContact CE2-CB 4.22Å; F158-F167 AromaticContact CE2-CD1 3.76Å; F158-F167 HydrophobicContact CE2-CD1 3.76Å; F158-F167 HydrophobicContact CE2-CE1 4.28Å; F158-F167 AromaticContact CE2-CG 4Å; F158-F167 HydrophobicContact CE2-CG 4Å; F158-F167 HydrophobicContact CZ-CB 3.84Å; F158-F167 AromaticContact CZ-CD1 3.69Å; F158-F167 HydrophobicContact CZ-CD1 3.69Å; F158-F167 AromaticContact CZ-CD2 3.87Å; F158-F167 HydrophobicContact CZ-CD2 3.87Å; F158-F167 HydrophobicContact CZ-CE1 4.15Å; F158-F167 HydrophobicContact CZ-CE2 4.3Å; F158-F167 AromaticContact CZ-CG 3.51Å; F158-F167 HydrophobicContact CZ-CG 3.51Å; F158-F167 HydrophobicContact CZ-CZ 4.43Å |
| 159 | D | 87.8 | Confident | 87.8 | Confident | 85 Ų | 85 | 45.4 Ų | 45.4 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -58.7 | -45.9 | 174.3 | 80.4 | -33.9 | 0 | 0 | 0 | 111.6 | R111 P136 S163 | R111-D159 WeakPolarHBondContact CD-O 3.33Å; R111-D159 PolarHBondContact NH1-O 3.17Å; P136-D159 HydrophobicContact CB-CB 4.39Å; P136-D159 HydrophobicContact CG-CB 4.24Å; P136-D159 VanDerWaalsContact CG-CG 3.5Å; P136-D159 WeakPolarHBondContact CG-OD1 3.24Å; P136-D159 PolarHBondContact O-N 2.92Å; P136-D159 VanDerWaalsContact O-N 3.13Å; D159-S163 PolarHBondContact OD1-OG 2.94Å |
| 160 | S | 86.9 | Confident | 87.4 | Confident | 44 Ų | 44 | 46 Ų | 46 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -122.9 | 150.8 | -172 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | F158 E162 S163 A164 | F158-S160 VanDerWaalsContact C-N 3.33Å; F158-S160 PolarHBondContact O-N 3.05Å; S160-E162 PolarHBondContact O-N 3.27Å; S160-E162 PolarHBondContact OG-N 3.42Å; S160-S163 PolarHBondContact O-N 3.46Å; S160-A164 PolarHBondContact O-N 3Å |
| 161 | V | 87.2 | Confident | 86.6 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64 | -29.7 | 172 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | N110 R111 A164 K165 | N110-V161 HydrophobicContact CB-CG2 4.25Å; R111-V161 HydrophobicContact CB-CG2 4.24Å; V161-A164 PolarHBondContact O-N 3.04Å; V161-K165 HydrophobicContact CG1-CD 4.36Å; V161-K165 HydrophobicContact CG1-CG 4.49Å; V161-K165 WeakPolarHBondContact O-CB 3.34Å; V161-K165 WeakPolarHBondContact O-CG 3.48Å; V161-K165 PolarHBondContact O-N 2.89Å |
| 162 | E | 87.8 | Confident | 85.9 | Confident | 120 Ų | 120 | 51.2 Ų | 51.2 | 56% | 0.561 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -66.8 | -43.5 | 175 | -66.8 | -175.1 | -159.1 | 0 | 0 | 112.5 | S160 A164 K165 K166 | S160-E162 PolarHBondContact O-N 3.27Å; S160-E162 PolarHBondContact OG-N 3.42Å; E162-A164 VanDerWaalsContact C-N 3.3Å; E162-A164 PolarHBondContact O-N 3.33Å; E162-K165 PolarHBondContact O-N 2.83Å; E162-K166 WeakPolarHBondContact O-CB 3.35Å; E162-K166 VanDerWaalsContact O-CG 3.3Å; E162-K166 WeakPolarHBondContact O-CG 3.41Å; E162-K166 PolarHBondContact O-N 3.47Å; E162-K166 IonicContact OE2-NZ 2.71Å; E162-K166 PolarHBondContact OE2-NZ 3.23Å |
| 163 | S | 86.7 | Confident | 85.4 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 175.7 | -52 | 0 | 0 | 0 | 0 | 110 | D159 S160 F167 | D159-S163 PolarHBondContact OD1-OG 2.94Å; S160-S163 PolarHBondContact O-N 3.46Å; S163-F167 VanDerWaalsContact O-CB 3.25Å; S163-F167 WeakPolarHBondContact O-CB 3.25Å; S163-F167 PolarHBondContact O-N 3.32Å |
| 164 | A | 86.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | R111 V113 F158 S160 V161 E162 T168 F184 | R111-A164 HydrophobicContact CB-CB 4.48Å; V113-A164 HydrophobicContact CG2-CB 3.8Å; F158-A164 HydrophobicContact CB-CB 4.29Å; F158-A164 HydrophobicContact CD2-CB 3.9Å; F158-A164 HydrophobicContact CG-CB 4.32Å; S160-A164 PolarHBondContact O-N 3Å; V161-A164 PolarHBondContact O-N 3.04Å; E162-A164 VanDerWaalsContact C-N 3.3Å; E162-A164 PolarHBondContact O-N 3.33Å; A164-T168 WeakPolarHBondContact O-CB 3.29Å; A164-T168 PolarHBondContact O-N 3.01Å; A164-T168 PolarHBondContact O-OG1 3.29Å; A164-F184 HydrophobicContact CB-CE1 4.25Å |
| 165 | K | 85.9 | Confident | 84.6 | Confident | 106 Ų | 106 | 57 Ų | 57 | 46% | 0.461 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.2 | -54.8 | 174.7 | -78.8 | 177.2 | 175.7 | -174.4 | 0 | 111.9 | V161 E162 F167 T168 E169 F184 | V161-K165 HydrophobicContact CG1-CD 4.36Å; V161-K165 HydrophobicContact CG1-CG 4.49Å; V161-K165 WeakPolarHBondContact O-CB 3.34Å; V161-K165 WeakPolarHBondContact O-CG 3.48Å; V161-K165 PolarHBondContact O-N 2.89Å; E162-K165 PolarHBondContact O-N 2.83Å; K165-F167 PolarHBondContact O-N 3.47Å; K165-T168 CarbonylContact O-C 3.57Å; K165-T168 PolarHBondContact O-N 3.19Å; K165-E169 WeakPolarHBondContact O-CB 3.49Å; K165-E169 WeakPolarHBondContact O-CG 3.25Å; K165-E169 PolarHBondContact O-N 2.75Å; K165-F184 HydrophobicContact CG-CZ 3.91Å |
| 166 | K | 86.8 | Confident | 84 | Confident | 119 Ų | 119 | 62.3 Ų | 62.3 | 52% | 0.517 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -51 | -43.3 | 175.1 | -71.8 | 164.4 | -177.5 | 160.5 | 0 | 110.9 | E162 I170 | E162-K166 WeakPolarHBondContact O-CB 3.35Å; E162-K166 VanDerWaalsContact O-CG 3.3Å; E162-K166 WeakPolarHBondContact O-CG 3.41Å; E162-K166 PolarHBondContact O-N 3.47Å; E162-K166 IonicContact OE2-NZ 2.71Å; E162-K166 PolarHBondContact OE2-NZ 3.23Å; K166-I170 VanDerWaalsContact O-CG1 3.31Å; K166-I170 WeakPolarHBondContact O-CG1 3.49Å; K166-I170 PolarHBondContact O-N 3.17Å |
| 167 | F | 85.3 | Confident | 83.5 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 176.2 | -178.2 | -102.4 | 0 | 0 | 0 | 113.8 | V113 V115 W130 L131 K134 F158 S163 K165 Q173 V182 | V113-F167 HydrophobicContact CB-CD1 4.2Å; V113-F167 HydrophobicContact CB-CE1 4.32Å; V113-F167 HydrophobicContact CG1-CD1 3.82Å; V113-F167 HydrophobicContact CG1-CE1 3.8Å; V113-F167 HydrophobicContact CG2-CD1 4.16Å; V115-F167 HydrophobicContact CG2-CE1 3.66Å; V115-F167 HydrophobicContact CG2-CZ 3.92Å; W130-F167 AromaticContact CH2-CE2 3.88Å; W130-F167 HydrophobicContact CH2-CE2 3.88Å; W130-F167 AromaticContact CH2-CZ 3.74Å; W130-F167 HydrophobicContact CH2-CZ 3.74Å; W130-F167 HydrophobicContact CZ3-CE2 4.24Å; W130-F167 HydrophobicContact CZ3-CZ 4.01Å; L131-F167 HydrophobicContact CD2-CE2 4.17Å; L131-F167 HydrophobicContact CD2-CZ 4.15Å; K134-F167 HydrophobicContact CB-CD2 3.77Å; K134-F167 HydrophobicContact CB-CE2 3.84Å; K134-F167 HydrophobicContact CG-CD2 4.25Å; K134-F167 HydrophobicContact CG-CE2 3.95Å; F158-F167 HydrophobicContact CE1-CB 4.38Å; F158-F167 HydrophobicContact CE1-CG 4.36Å; F158-F167 HydrophobicContact CE2-CB 4.22Å; F158-F167 AromaticContact CE2-CD1 3.76Å; F158-F167 HydrophobicContact CE2-CD1 3.76Å; F158-F167 HydrophobicContact CE2-CE1 4.28Å; F158-F167 AromaticContact CE2-CG 4Å; F158-F167 HydrophobicContact CE2-CG 4Å; F158-F167 HydrophobicContact CZ-CB 3.84Å; F158-F167 AromaticContact CZ-CD1 3.69Å; F158-F167 HydrophobicContact CZ-CD1 3.69Å; F158-F167 AromaticContact CZ-CD2 3.87Å; F158-F167 HydrophobicContact CZ-CD2 3.87Å; F158-F167 HydrophobicContact CZ-CE1 4.15Å; F158-F167 HydrophobicContact CZ-CE2 4.3Å; F158-F167 AromaticContact CZ-CG 3.51Å; F158-F167 HydrophobicContact CZ-CG 3.51Å; F158-F167 HydrophobicContact CZ-CZ 4.43Å; S163-F167 VanDerWaalsContact O-CB 3.25Å; S163-F167 WeakPolarHBondContact O-CB 3.25Å; S163-F167 PolarHBondContact O-N 3.32Å; K165-F167 PolarHBondContact O-N 3.47Å; F167-Q173 VanDerWaalsContact CD2-NE2 3.32Å; F167-Q173 VanDerWaalsContact CE2-NE2 3.26Å; F167-Q173 PolarHBondContact O-NE2 3.22Å; F167-V182 HydrophobicContact CD1-CG1 3.91Å; F167-V182 HydrophobicContact CE1-CG1 3.67Å; F167-V182 HydrophobicContact CE1-CG2 4.29Å |
| 168 | T | 83.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 22% | 0.215 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -75.3 | -28.6 | 179 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | A164 K165 V182 F184 | A164-T168 WeakPolarHBondContact O-CB 3.29Å; A164-T168 PolarHBondContact O-N 3.01Å; A164-T168 PolarHBondContact O-OG1 3.29Å; K165-T168 CarbonylContact O-C 3.57Å; K165-T168 PolarHBondContact O-N 3.19Å; T168-V182 HydrophobicContact CG2-CG1 4.35Å; T168-F184 HydrophobicContact CG2-CD2 3.89Å; T168-F184 HydrophobicContact CG2-CE2 3.7Å; T168-F184 HydrophobicContact CG2-CZ 4.45Å |
| 169 | E | 82.9 | Confident | 82.8 | Confident | 139 Ų | 139 | 78 Ų | 78 | 65% | 0.65 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -73.7 | -23.9 | 177.8 | -74.8 | 166.6 | -161.8 | 0 | 0 | 113.4 | K165 P171 | K165-E169 WeakPolarHBondContact O-CB 3.49Å; K165-E169 WeakPolarHBondContact O-CG 3.25Å; K165-E169 PolarHBondContact O-N 2.75Å; E169-P171 WeakPolarHBondContact O-CD 3.44Å |
| 170 | I | 79.1 | Confident | 82.7 | Confident | 80 Ų | 80 | 74.6 Ų | 74.6 | 41% | 0.41 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -68 | 109.3 | 174.8 | -65.8 | 159.5 | 0 | 0 | 0 | 109.1 | K166 Q173 | K166-I170 VanDerWaalsContact O-CG1 3.31Å; K166-I170 WeakPolarHBondContact O-CG1 3.49Å; K166-I170 PolarHBondContact O-N 3.17Å; I170-Q173 HydrophobicContact CB-CG 4.25Å; I170-Q173 HydrophobicContact CG2-CG 3.71Å |
| 171 | P | 71.6 | Confident | 82.7 | Confident | 99 Ų | 99 | 76.8 Ų | 76.8 | 64% | 0.643 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 155.4 | -179.1 | 34.5 | -33.5 | 0 | 0 | 0 | 110.5 | E169 Q173 | E169-P171 WeakPolarHBondContact O-CD 3.44Å; P171-Q173 VanDerWaalsContact C-N 3.32Å; P171-Q173 PolarHBondContact O-N 2.78Å |
| 172 | N | 72.1 | Confident | 82.7 | Confident | 125 Ų | 125 | 75.4 Ų | 75.4 | 67% | 0.668 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 40.8 | 171.9 | -56.8 | -25.3 | 0 | 0 | 0 | 114.7 | K174 | N172-K174 WeakPolarHBondContact O-CG 3.31Å; N172-K174 PolarHBondContact O-N 3.23Å |
| 173 | Q | 78.1 | Confident | 82.6 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | trans | -57.6 | 129.8 | 168.6 | -64.9 | -163.5 | 36.8 | 0 | 0 | 110.1 | W130 F167 I170 P171 L180 | W130-Q173 HydrophobicContact CZ2-CB 4.35Å; F167-Q173 VanDerWaalsContact CD2-NE2 3.32Å; F167-Q173 VanDerWaalsContact CE2-NE2 3.26Å; F167-Q173 PolarHBondContact O-NE2 3.22Å; I170-Q173 HydrophobicContact CB-CG 4.25Å; I170-Q173 HydrophobicContact CG2-CG 3.71Å; P171-Q173 VanDerWaalsContact C-N 3.32Å; P171-Q173 PolarHBondContact O-N 2.78Å; Q173-L180 HydrophobicContact CB-CB 4.36Å; Q173-L180 HydrophobicContact CB-CD1 4.37Å; Q173-L180 WeakPolarHBondContact O-CB 3.48Å; Q173-L180 PolarHBondContact O-N 3.39Å | ||
| 174 | K | 83.1 | Confident | 82.6 | Confident | 105 Ų | 105 | 73 Ų | 73 | 46% | 0.457 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.7 | 176.2 | -55.1 | -162.2 | 178.9 | -152.6 | 0 | 110.6 | W130 N172 T178 E179 | W130-K174 PolarHBondContact NE1-O 3.42Å; N172-K174 WeakPolarHBondContact O-CG 3.31Å; N172-K174 PolarHBondContact O-N 3.23Å; K174-T178 WeakPolarHBondContact CA-O 3.46Å; K174-E179 HydrophobicContact CD-CG 4.03Å; K174-E179 VanDerWaalsContact CE-CG 3.48Å; K174-E179 VanDerWaalsContact CE-OE1 3.25Å; K174-E179 WeakPolarHBondContact CE-OE1 3.37Å; K174-E179 HydrophobicContact CG-CG 4.05Å; K174-E179 IonicContact NZ-OE1 3.18Å; K174-E179 PolarHBondContact NZ-OE1 3.16Å |
| 175 | Y | 82.4 | Confident | 82.3 | Confident | 15 Ų | 15 | 75.4 Ų | 75.4 | 6% | 0.059 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 111.3 | 166.7 | 179.6 | -94.8 | 0 | 0 | 0 | 107.9 | F118 P119 D126 W130 D177 T178 | F118-Y175 HydrophobicContact CD1-CD1 4.02Å; F118-Y175 AromaticContact CD1-CD2 3.96Å; F118-Y175 HydrophobicContact CD1-CD2 3.96Å; F118-Y175 HydrophobicContact CD1-CE1 4.34Å; F118-Y175 HydrophobicContact CD1-CE2 4.3Å; F118-Y175 AromaticContact CD1-CG 3.82Å; F118-Y175 HydrophobicContact CD1-CG 3.82Å; F118-Y175 AromaticContact CE1-CD2 3.76Å; F118-Y175 HydrophobicContact CE1-CD2 3.76Å; F118-Y175 HydrophobicContact CE1-CE2 4.26Å; F118-Y175 AromaticContact CE1-CG 3.96Å; F118-Y175 HydrophobicContact CE1-CG 3.96Å; P119-Y175 HydrophobicContact CG-CD1 4.41Å; P119-Y175 HydrophobicContact CG-CE1 4.04Å; D126-Y175 VanDerWaalsContact CB-OH 3.32Å; D126-Y175 WeakPolarHBondContact CB-OH 3.46Å; W130-Y175 HydrophobicContact CB-CD2 4.12Å; W130-Y175 HydrophobicContact CB-CE2 4.05Å; W130-Y175 AromaticContact CD1-CD2 3.66Å; W130-Y175 HydrophobicContact CD2-CD2 4.19Å; W130-Y175 AromaticContact CG-CD2 3.69Å; W130-Y175 HydrophobicContact CG-CD2 3.69Å; W130-Y175 HydrophobicContact CG-CE2 4.14Å; Y175-D177 PolarHBondContact O-N 2.93Å; Y175-T178 PolarHBondContact N-O 2.8Å; Y175-T178 PolarHBondContact O-N 3.48Å |
| 176 | K | 80 | Confident | 81.9 | Confident | 140 Ų | 140 | 74.4 Ų | 74.4 | 61% | 0.609 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -120 | -164.4 | -53 | 176.5 | -175.6 | 177.3 | 0 | 107.8 | ||
| 177 | D | 78.4 | Confident | 81.7 | Confident | 153 Ų | 153 | 73.3 Ų | 73.3 | 82% | 0.818 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -4.7 | 179.6 | -51.2 | -69.4 | 0 | 0 | 0 | 114.5 | Y175 | Y175-D177 PolarHBondContact O-N 2.93Š|
| 178 | T | 82.4 | Confident | 81.4 | Confident | 67 Ų | 67 | 75 Ų | 75 | 41% | 0.411 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.4 | -173.9 | -52.9 | 0 | 0 | 0 | 0 | 112.2 | G117 K174 Y175 | G117-T178 WeakPolarHBondContact O-CG2 3.3Å; K174-T178 WeakPolarHBondContact CA-O 3.46Å; Y175-T178 PolarHBondContact N-O 2.8Å; Y175-T178 PolarHBondContact O-N 3.48Å |
| 179 | E | 84.7 | Confident | 81 | Confident | 115 Ų | 115 | 77.1 Ų | 77.1 | 54% | 0.537 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.1 | 173 | -77.8 | 170.5 | -171.1 | 0 | 0 | 111.8 | K174 | K174-E179 HydrophobicContact CD-CG 4.03Å; K174-E179 VanDerWaalsContact CE-CG 3.48Å; K174-E179 VanDerWaalsContact CE-OE1 3.25Å; K174-E179 WeakPolarHBondContact CE-OE1 3.37Å; K174-E179 HydrophobicContact CG-CG 4.05Å; K174-E179 IonicContact NZ-OE1 3.18Å; K174-E179 PolarHBondContact NZ-OE1 3.16Å |
| 180 | L | 86.7 | Confident | 80.8 | Confident | 14 Ų | 14 | 74 Ų | 74 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 129.4 | -179.4 | -57.8 | -178 | 0 | 0 | 0 | 111.1 | V115 K116 G117 F118 W130 Q173 V182 | V115-L180 HydrophobicContact CG1-CB 4.05Å; V115-L180 HydrophobicContact CG1-CD1 3.87Å; V115-L180 HydrophobicContact CG1-CD2 4.45Å; V115-L180 HydrophobicContact CG1-CG 4.37Å; K116-L180 CarbonylContact O-C 3.52Å; K116-L180 VanDerWaalsContact O-CA 3.32Å; K116-L180 WeakPolarHBondContact O-CA 3.28Å; G117-L180 VanDerWaalsContact C-CD2 3.43Å; F118-L180 HydrophobicContact CE1-CD1 4.5Å; F118-L180 HydrophobicContact CZ-CD1 4.21Å; W130-L180 HydrophobicContact CH2-CD1 3.29Å; W130-L180 HydrophobicContact CZ2-CD1 3.19Å; W130-L180 HydrophobicContact CZ3-CD1 4.11Å; Q173-L180 HydrophobicContact CB-CB 4.36Å; Q173-L180 HydrophobicContact CB-CD1 4.37Å; Q173-L180 WeakPolarHBondContact O-CB 3.48Å; Q173-L180 PolarHBondContact O-N 3.39Å; L180-V182 HydrophobicContact CB-CG2 4.48Å; L180-V182 PolarHBondContact O-N 3.29Å |
| 181 | I | 85.9 | Confident | 80.9 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 105.7 | 168.4 | -57.2 | 171.1 | 0 | 0 | 0 | 107.4 | V115 K116 L183 | V115-I181 WeakPolarHBondContact CA-O 3.4Å; K116-I181 HydrophobicContact CB-CB 4.44Å; K116-I181 PolarHBondContact N-O 2.9Å; K116-I181 PolarHBondContact O-N 2.85Å; I181-L183 HydrophobicContact CG2-CD1 4.21Å; I181-L183 HydrophobicContact CG2-CG 4.15Å |
| 182 | V | 87.1 | Confident | 81.3 | Confident | 25 Ų | 25 | 74.2 Ų | 74.2 | 15% | 0.152 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.1 | 173.1 | -173.6 | 0 | 0 | 0 | 0 | 108.7 | V113 Y114 V115 F167 T168 L180 | V113-V182 HydrophobicContact CG1-CG1 3.42Å; V113-V182 VanDerWaalsContact CG1-CG1 3.42Å; Y114-V182 WeakPolarHBondContact O-CA 3.45Å; V115-V182 HydrophobicContact CG1-CG2 4.3Å; V115-V182 HydrophobicContact CG2-CG2 4.39Å; F167-V182 HydrophobicContact CD1-CG1 3.91Å; F167-V182 HydrophobicContact CE1-CG1 3.67Å; F167-V182 HydrophobicContact CE1-CG2 4.29Å; T168-V182 HydrophobicContact CG2-CG1 4.35Å; L180-V182 HydrophobicContact CB-CG2 4.48Å; L180-V182 PolarHBondContact O-N 3.29Å |
| 183 | L | 86.3 | Confident | 81.3 | Confident | 46 Ų | 46 | 72 Ų | 72 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 153.1 | 177 | -67 | 172.3 | 0 | 0 | 0 | 109.6 | V113 Y114 I181 | V113-L183 WeakPolarHBondContact CG1-O 3.39Å; Y114-L183 WeakPolarHBondContact CB-O 3.45Å; Y114-L183 HydrophobicContact CD1-CB 4.34Å; Y114-L183 HydrophobicContact CD1-CD1 4.41Å; Y114-L183 PolarHBondContact N-O 3.01Å; Y114-L183 PolarHBondContact O-N 2.87Å; I181-L183 HydrophobicContact CG2-CD1 4.21Å; I181-L183 HydrophobicContact CG2-CG 4.15Å |
| 184 | F | 86.9 | Confident | 81.3 | Confident | 47 Ų | 47 | 76.5 Ų | 76.5 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 147 | 167 | -81.7 | -78.5 | 0 | 0 | 0 | 110.6 | A164 K165 T168 E186 E187 Y188 | A164-F184 HydrophobicContact CB-CE1 4.25Å; K165-F184 HydrophobicContact CG-CZ 3.91Å; T168-F184 HydrophobicContact CG2-CD2 3.89Å; T168-F184 HydrophobicContact CG2-CE2 3.7Å; T168-F184 HydrophobicContact CG2-CZ 4.45Å; F184-E186 PolarHBondContact O-N 2.82Å; F184-E187 HydrophobicContact CB-CB 4.48Å; F184-E187 HydrophobicContact CB-CG 4.05Å; F184-E187 PolarHBondContact N-OE2 2.9Å; F184-E187 PolarHBondContact O-N 3.5Å; F184-Y188 PolarHBondContact O-N 3.31Å |
| 185 | K | 79.6 | Confident | 81.1 | Confident | 50 Ų | 50 | 76.6 Ų | 76.6 | 22% | 0.217 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.9 | -30.3 | 179.9 | 179.8 | 174.1 | 176.6 | -176.8 | 0 | 112.6 | S112 F155 C189 | S112-K185 VanDerWaalsContact O-CB 3.24Å; S112-K185 WeakPolarHBondContact O-CB 3.37Å; S112-K185 PolarHBondContact O-N 3.24Å; S112-K185 VanDerWaalsContact O-N 3.07Å; F155-K185 HydrophobicContact CD1-CB 4.47Å; F155-K185 HydrophobicContact CD1-CD 4.12Å; F155-K185 HydrophobicContact CD1-CG 4.05Å; F155-K185 HydrophobicContact CE1-CD 4.35Å; F155-K185 HydrophobicContact CE1-CG 3.9Å; K185-C189 WeakPolarHBondContact O-CB 3.46Å; K185-C189 PolarHBondContact O-N 2.78Å |
| 186 | E | 78.4 | Confident | 80.8 | Confident | 85 Ų | 85 | 82.2 Ų | 82.2 | 40% | 0.397 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.5 | -49.4 | 176.8 | -55.7 | -145.4 | 133.8 | 0 | 0 | 111.7 | K109 F184 Y188 C189 T190 | K109-E186 HydrophobicContact CB-CG 4.22Å; K109-E186 WeakPolarHBondContact CD-OE1 3.18Å; F184-E186 PolarHBondContact O-N 2.82Å; E186-Y188 VanDerWaalsContact C-N 3.31Å; E186-Y188 PolarHBondContact O-N 3.12Å; E186-C189 CarbonylContact O-C 3.57Å; E186-C189 WeakPolarHBondContact O-CA 3.35Å; E186-C189 WeakPolarHBondContact O-CB 3.44Å; E186-C189 PolarHBondContact O-N 2.8Å; E186-T190 PolarHBondContact O-N 3.38Å; E186-T190 PolarHBondContact O-OG1 3.34Å |
| 187 | E | 81.4 | Confident | 80.8 | Confident | 95 Ų | 95 | 81.4 Ų | 81.4 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 174.6 | -60.7 | 173.1 | 152.6 | 0 | 0 | 112.4 | F184 C189 T190 K191 | F184-E187 HydrophobicContact CB-CB 4.48Å; F184-E187 HydrophobicContact CB-CG 4.05Å; F184-E187 PolarHBondContact N-OE2 2.9Å; F184-E187 PolarHBondContact O-N 3.5Å; E187-C189 VanDerWaalsContact C-N 3.29Å; E187-C189 PolarHBondContact O-N 2.95Å; E187-T190 WeakPolarHBondContact CA-OG1 3.31Å; E187-T190 PolarHBondContact O-OG1 3Å; E187-K191 VanDerWaalsContact O-CB 3.24Å; E187-K191 WeakPolarHBondContact O-CB 3.46Å; E187-K191 PolarHBondContact O-N 3.19Å |
| 188 | Y | 80.1 | Confident | 80.7 | Confident | 38 Ų | 38 | 80.4 Ų | 80.4 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 172.4 | 176.1 | -102.4 | 0 | 0 | 0 | 111.6 | Y114 R143 F155 F184 E186 K192 | Y114-Y188 AromaticContact CD1-CD2 3.55Å; Y114-Y188 HydrophobicContact CD1-CD2 3.55Å; Y114-Y188 HydrophobicContact CD1-CE2 4.21Å; Y114-Y188 AromaticContact CD1-CG 3.86Å; Y114-Y188 HydrophobicContact CD1-CG 3.86Å; Y114-Y188 HydrophobicContact CD2-CD1 4.13Å; Y114-Y188 HydrophobicContact CD2-CD2 4.21Å; Y114-Y188 HydrophobicContact CD2-CE1 4.36Å; Y114-Y188 HydrophobicContact CD2-CE2 4.46Å; Y114-Y188 HydrophobicContact CD2-CG 4.06Å; Y114-Y188 AromaticContact CE1-CD2 3.46Å; Y114-Y188 HydrophobicContact CE1-CD2 3.46Å; Y114-Y188 VanDerWaalsContact CE1-CD2 3.46Å; Y114-Y188 AromaticContact CE1-CE2 3.68Å; Y114-Y188 HydrophobicContact CE1-CE2 3.68Å; Y114-Y188 HydrophobicContact CE1-CG 4.18Å; Y114-Y188 HydrophobicContact CE2-CD1 4.39Å; Y114-Y188 HydrophobicContact CE2-CD2 4.13Å; Y114-Y188 HydrophobicContact CE2-CE1 4.21Å; Y114-Y188 AromaticContact CE2-CE2 3.96Å; Y114-Y188 HydrophobicContact CE2-CE2 3.96Å; Y114-Y188 HydrophobicContact CE2-CG 4.36Å; Y114-Y188 HydrophobicContact CG-CD1 4.25Å; Y114-Y188 AromaticContact CG-CD2 3.9Å; Y114-Y188 HydrophobicContact CG-CD2 3.9Å; Y114-Y188 AromaticContact CG-CG 3.75Å; Y114-Y188 HydrophobicContact CG-CG 3.75Å; Y114-Y188 AromaticContact CZ-CD2 3.74Å; Y114-Y188 AromaticContact CZ-CE2 3.5Å; Y114-Y188 AromaticContact CZ-CZ 3.97Å; R143-Y188 PolarHBondContact NH1-OH 3.3Å; R143-Y188 PolarHBondContact NH2-OH 3.29Å; F155-Y188 AromaticContact CE1-CD1 3.88Å; F155-Y188 HydrophobicContact CE1-CD1 3.88Å; F155-Y188 HydrophobicContact CE1-CE1 4.35Å; F155-Y188 AromaticContact CZ-CD1 3.91Å; F155-Y188 HydrophobicContact CZ-CD1 3.91Å; F155-Y188 AromaticContact CZ-CE1 3.95Å; F155-Y188 HydrophobicContact CZ-CE1 3.95Å; F184-Y188 PolarHBondContact O-N 3.31Å; E186-Y188 VanDerWaalsContact C-N 3.31Å; E186-Y188 PolarHBondContact O-N 3.12Å; Y188-K192 HydrophobicContact CE1-CD 4.02Å; Y188-K192 WeakPolarHBondContact O-CB 3.44Å; Y188-K192 PolarHBondContact O-N 3.1Å; Y188-K192 VanDerWaalsContact O-N 3.1Å |
| 189 | C | 74.2 | Confident | 80.7 | Confident | 78 Ų | 78 | 81.1 Ų | 81.1 | 53% | 0.527 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.4 | -44.8 | -178.9 | -163.5 | 0 | 0 | 0 | 0 | 112.1 | K185 E186 E187 K192 N193 | K185-C189 WeakPolarHBondContact O-CB 3.46Å; K185-C189 PolarHBondContact O-N 2.78Å; E186-C189 CarbonylContact O-C 3.57Å; E186-C189 WeakPolarHBondContact O-CA 3.35Å; E186-C189 WeakPolarHBondContact O-CB 3.44Å; E186-C189 PolarHBondContact O-N 2.8Å; E187-C189 VanDerWaalsContact C-N 3.29Å; E187-C189 PolarHBondContact O-N 2.95Å; C189-K192 PolarHBondContact O-N 3.29Å; C189-N193 VanDerWaalsContact O-CB 3.29Å; C189-N193 WeakPolarHBondContact O-CB 3.32Å; C189-N193 PolarHBondContact O-N 2.94Å |
| 190 | T | 79.3 | Confident | 80.7 | Confident | 75 Ų | 75 | 82.3 Ų | 82.3 | 46% | 0.46 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -52.8 | 177.5 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | E186 E187 K192 N193 E194 | E186-T190 PolarHBondContact O-N 3.38Å; E186-T190 PolarHBondContact O-OG1 3.34Å; E187-T190 WeakPolarHBondContact CA-OG1 3.31Å; E187-T190 PolarHBondContact O-OG1 3Å; T190-K192 VanDerWaalsContact C-N 3.32Å; T190-K192 PolarHBondContact O-N 3.07Å; T190-N193 WeakPolarHBondContact O-CA 3.31Å; T190-N193 WeakPolarHBondContact O-CB 3.24Å; T190-N193 PolarHBondContact O-N 2.87Å; T190-E194 WeakPolarHBondContact O-CG 3.3Å; T190-E194 PolarHBondContact O-N 2.92Å |
| 191 | K | 80.1 | Confident | 80.7 | Confident | 140 Ų | 140 | 86.5 Ų | 86.5 | 61% | 0.609 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -56.3 | -43.1 | 178.3 | -171.1 | 169.7 | -174 | 168.4 | 0 | 112.5 | E187 E194 E195 | E187-K191 VanDerWaalsContact O-CB 3.24Å; E187-K191 WeakPolarHBondContact O-CB 3.46Å; E187-K191 PolarHBondContact O-N 3.19Å; K191-E194 PolarHBondContact O-N 3.25Å; K191-E195 WeakPolarHBondContact O-CB 3.41Å; K191-E195 PolarHBondContact O-N 3.5Å |
| 192 | K | 79.3 | Confident | 80.6 | Confident | 42 Ų | 42 | 86.2 Ų | 86.2 | 18% | 0.183 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.2 | -32.9 | 176 | -168.8 | -163.9 | -174.9 | -165 | 0 | 112.8 | Y188 C189 T190 R196 E366 | Y188-K192 HydrophobicContact CE1-CD 4.02Å; Y188-K192 WeakPolarHBondContact O-CB 3.44Å; Y188-K192 PolarHBondContact O-N 3.1Å; Y188-K192 VanDerWaalsContact O-N 3.1Å; C189-K192 PolarHBondContact O-N 3.29Å; T190-K192 VanDerWaalsContact C-N 3.32Å; T190-K192 PolarHBondContact O-N 3.07Å; K192-R196 WeakPolarHBondContact O-CB 3.45Å; K192-R196 VanDerWaalsContact O-CG 3.25Å; K192-R196 WeakPolarHBondContact O-CG 3.16Å; K192-R196 PolarHBondContact O-N 3.03Å; K192-E366 IonicContact NZ-OE2 2.75Å |
| 193 | N | 73.8 | Confident | 80.6 | Confident | 79 Ų | 79 | 87.9 Ų | 87.9 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.2 | -39.4 | 176.4 | -167.3 | 6.6 | 0 | 0 | 0 | 110.9 | C189 T190 R196 K197 | C189-N193 VanDerWaalsContact O-CB 3.29Å; C189-N193 WeakPolarHBondContact O-CB 3.32Å; C189-N193 PolarHBondContact O-N 2.94Å; T190-N193 WeakPolarHBondContact O-CA 3.31Å; T190-N193 WeakPolarHBondContact O-CB 3.24Å; T190-N193 PolarHBondContact O-N 2.87Å; N193-R196 PolarHBondContact O-N 2.88Å; N193-K197 WeakPolarHBondContact O-CB 3.32Å; N193-K197 VanDerWaalsContact O-CG 3.25Å; N193-K197 WeakPolarHBondContact O-CG 3.32Å; N193-K197 PolarHBondContact O-N 2.77Å |
| 194 | E | 76.4 | Confident | 80.8 | Confident | 107 Ų | 107 | 92.5 Ų | 92.5 | 50% | 0.5 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 172.6 | -72.9 | 162.8 | -165.7 | 0 | 0 | 111.8 | T190 K191 R196 K197 Q198 | T190-E194 WeakPolarHBondContact O-CG 3.3Å; T190-E194 PolarHBondContact O-N 2.92Å; K191-E194 PolarHBondContact O-N 3.25Å; E194-R196 VanDerWaalsContact C-N 3.34Å; E194-R196 PolarHBondContact O-N 2.98Å; E194-K197 WeakPolarHBondContact O-CA 3.25Å; E194-K197 WeakPolarHBondContact O-CB 3.41Å; E194-K197 PolarHBondContact O-N 3.03Å; E194-Q198 WeakPolarHBondContact O-CG 3.25Å; E194-Q198 PolarHBondContact O-N 3.05Å |
| 195 | E | 80.4 | Confident | 80.8 | Confident | 106 Ų | 106 | 92.4 Ų | 92.4 | 50% | 0.495 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.9 | -47.4 | 172 | -172 | -164.5 | 160.9 | 0 | 0 | 111.4 | K191 K197 Q198 N199 | K191-E195 WeakPolarHBondContact O-CB 3.41Å; K191-E195 PolarHBondContact O-N 3.5Å; E195-K197 VanDerWaalsContact C-N 3.33Å; E195-K197 PolarHBondContact O-N 3.45Å; E195-Q198 PolarHBondContact O-N 2.95Å; E195-N199 WeakPolarHBondContact O-CB 3.33Å; E195-N199 PolarHBondContact O-N 3.07Å; E195-N199 PolarHBondContact O-ND2 3.02Å |
| 196 | R | 75.6 | Confident | 81.2 | Confident | 133 Ų | 133 | 97.6 Ų | 97.6 | 50% | 0.502 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.1 | -37 | 174.7 | -78.9 | 171.9 | 166.5 | 179.9 | -3.4 | 112.6 | K192 N193 E194 K200 E366 | K192-R196 WeakPolarHBondContact O-CB 3.45Å; K192-R196 VanDerWaalsContact O-CG 3.25Å; K192-R196 WeakPolarHBondContact O-CG 3.16Å; K192-R196 PolarHBondContact O-N 3.03Å; N193-R196 PolarHBondContact O-N 2.88Å; E194-R196 VanDerWaalsContact C-N 3.34Å; E194-R196 PolarHBondContact O-N 2.98Å; R196-K200 VanDerWaalsContact O-CB 3.27Å; R196-K200 WeakPolarHBondContact O-CB 3.46Å; R196-K200 PolarHBondContact O-N 3.13Å; R196-E366 IonicContact CZ-OE2 3.37Å; R196-E366 IonicContact NH1-OE2 2.65Å; R196-E366 IonicContact NH2-OE2 2.65Å; R196-E366 PolarHBondContact NH2-OE2 3.34Å |
| 197 | K | 80.4 | Confident | 81.7 | Confident | 123 Ų | 123 | 96.3 Ų | 96.3 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.2 | -46.8 | 176.3 | -74.2 | 166.9 | -174.8 | 175.5 | 0 | 111.1 | N193 E194 E195 K200 V201 | N193-K197 WeakPolarHBondContact O-CB 3.32Å; N193-K197 VanDerWaalsContact O-CG 3.25Å; N193-K197 WeakPolarHBondContact O-CG 3.32Å; N193-K197 PolarHBondContact O-N 2.77Å; E194-K197 WeakPolarHBondContact O-CA 3.25Å; E194-K197 WeakPolarHBondContact O-CB 3.41Å; E194-K197 PolarHBondContact O-N 3.03Å; E195-K197 VanDerWaalsContact C-N 3.33Å; E195-K197 PolarHBondContact O-N 3.45Å; K197-K200 PolarHBondContact O-N 2.96Å; K197-V201 WeakPolarHBondContact O-CG2 3.45Å; K197-V201 PolarHBondContact O-N 2.93Å |
| 198 | Q | 76.9 | Confident | 82.2 | Confident | 133 Ų | 133 | 97.5 Ų | 97.5 | 62% | 0.621 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.2 | -52.6 | 177.6 | -72.5 | 175.3 | -6.1 | 0 | 0 | 110.9 | E194 E195 K200 V201 E202 | E194-Q198 WeakPolarHBondContact O-CG 3.25Å; E194-Q198 PolarHBondContact O-N 3.05Å; E195-Q198 PolarHBondContact O-N 2.95Å; Q198-K200 PolarHBondContact O-N 2.83Å; Q198-K200 VanDerWaalsContact O-N 3.16Å; Q198-V201 WeakPolarHBondContact O-CA 3.27Å; Q198-V201 PolarHBondContact O-N 3.36Å; Q198-E202 PolarHBondContact O-N 3.13Å |
| 199 | N | 81.1 | Confident | 82.4 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 43% | 0.433 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.1 | -34.3 | 177 | -68.7 | -12.7 | 0 | 0 | 0 | 112.4 | E195 A203 | E195-N199 WeakPolarHBondContact O-CB 3.33Å; E195-N199 PolarHBondContact O-N 3.07Å; E195-N199 PolarHBondContact O-ND2 3.02Å; N199-A203 WeakPolarHBondContact O-CB 3.44Å; N199-A203 PolarHBondContact O-N 2.66Å |
| 200 | K | 85 | Confident | 83.1 | Confident | 141 Ų | 141 | 102.9 Ų | 102.9 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.3 | -31.6 | 175.8 | -174.4 | 177.4 | -176.2 | 177.8 | 0 | 113.2 | R196 K197 Q198 K204 | R196-K200 VanDerWaalsContact O-CB 3.27Å; R196-K200 WeakPolarHBondContact O-CB 3.46Å; R196-K200 PolarHBondContact O-N 3.13Å; K197-K200 PolarHBondContact O-N 2.96Å; Q198-K200 PolarHBondContact O-N 2.83Å; Q198-K200 VanDerWaalsContact O-N 3.16Å; K200-K204 VanDerWaalsContact O-CG 3.26Å; K200-K204 WeakPolarHBondContact O-CG 3.35Å; K200-K204 PolarHBondContact O-N 2.9Å |
| 201 | V | 85.6 | Confident | 83.5 | Confident | 101 Ų | 101 | 105.6 Ų | 105.6 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.2 | -45.6 | 173 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | K197 Q198 K204 A205 | K197-V201 WeakPolarHBondContact O-CG2 3.45Å; K197-V201 PolarHBondContact O-N 2.93Å; Q198-V201 WeakPolarHBondContact O-CA 3.27Å; Q198-V201 PolarHBondContact O-N 3.36Å; V201-K204 WeakPolarHBondContact O-CB 3.29Å; V201-K204 PolarHBondContact O-N 3.33Å; V201-A205 PolarHBondContact O-N 3.42Å |
| 202 | E | 85.8 | Confident | 83.8 | Confident | 86 Ų | 86 | 103.3 Ų | 103.3 | 40% | 0.402 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 179.3 | -163.2 | -167.9 | 164 | 0 | 0 | 112 | Q198 K204 A205 R206 | Q198-E202 PolarHBondContact O-N 3.13Å; E202-K204 PolarHBondContact O-N 2.93Å; E202-A205 WeakPolarHBondContact O-CB 3.37Å; E202-A205 PolarHBondContact O-N 2.95Å; E202-R206 WeakPolarHBondContact O-CG 3.44Å; E202-R206 PolarHBondContact O-N 3.3Å; E202-R206 IonicContact OE1-CZ 3.59Å; E202-R206 IonicContact OE1-NE 2.89Å; E202-R206 PolarHBondContact OE1-NE 2.93Å; E202-R206 IonicContact OE1-NH2 3.59Å; E202-R206 PolarHBondContact OE1-NH2 3.39Å |
| 203 | A | 87.2 | Confident | 84.1 | Confident | 60 Ų | 60 | 106.9 Ų | 106.9 | 50% | 0.496 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -34.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N199 A207 | N199-A203 WeakPolarHBondContact O-CB 3.44Å; N199-A203 PolarHBondContact O-N 2.66Å; A203-A207 VanDerWaalsContact O-CB 3.23Å; A203-A207 WeakPolarHBondContact O-CB 3.32Å; A203-A207 PolarHBondContact O-N 3.32Å |
| 204 | K | 89.6 | Confident | 84.7 | Confident | 143 Ų | 143 | 108.8 Ų | 108.8 | 62% | 0.622 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.4 | -38.4 | 172.1 | -79 | 176 | 173.2 | -169.6 | 0 | 112.5 | K200 V201 E202 K208 | K200-K204 VanDerWaalsContact O-CG 3.26Å; K200-K204 WeakPolarHBondContact O-CG 3.35Å; K200-K204 PolarHBondContact O-N 2.9Å; V201-K204 WeakPolarHBondContact O-CB 3.29Å; V201-K204 PolarHBondContact O-N 3.33Å; E202-K204 PolarHBondContact O-N 2.93Å; K204-K208 WeakPolarHBondContact O-CB 3.33Å; K204-K208 PolarHBondContact O-N 2.84Å |
| 205 | A | 87.6 | Confident | 84.9 | Confident | 45 Ų | 45 | 109.3 Ų | 109.3 | 37% | 0.372 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.9 | -49.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | V201 E202 A207 K208 Q209 | V201-A205 PolarHBondContact O-N 3.42Å; E202-A205 WeakPolarHBondContact O-CB 3.37Å; E202-A205 PolarHBondContact O-N 2.95Å; A205-A207 PolarHBondContact O-N 3.17Å; A205-K208 WeakPolarHBondContact O-CB 3.34Å; A205-K208 PolarHBondContact O-N 2.93Å; A205-Q209 WeakPolarHBondContact O-CG 3.11Å; A205-Q209 PolarHBondContact O-N 3.07Å |
| 206 | R | 88 | Confident | 85 | Confident | 158 Ų | 158 | 110.8 Ų | 110.8 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -56.5 | -47 | 174.3 | -67.4 | 179.5 | -177.7 | -145.3 | 6 | 111.6 | E202 K208 Q209 E210 | E202-R206 WeakPolarHBondContact O-CG 3.44Å; E202-R206 PolarHBondContact O-N 3.3Å; E202-R206 IonicContact OE1-CZ 3.59Å; E202-R206 IonicContact OE1-NE 2.89Å; E202-R206 PolarHBondContact OE1-NE 2.93Å; E202-R206 IonicContact OE1-NH2 3.59Å; E202-R206 PolarHBondContact OE1-NH2 3.39Å; R206-K208 VanDerWaalsContact C-N 3.28Å; R206-K208 PolarHBondContact O-N 3.11Å; R206-Q209 PolarHBondContact O-N 3.36Å; R206-E210 WeakPolarHBondContact O-CB 3.49Å; R206-E210 PolarHBondContact O-N 2.98Å |
| 207 | A | 88.9 | Confident | 85.1 | Confident | 58 Ų | 58 | 109.7 Ų | 109.7 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.2 | -24 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A203 A205 K211 | A203-A207 VanDerWaalsContact O-CB 3.23Å; A203-A207 WeakPolarHBondContact O-CB 3.32Å; A203-A207 PolarHBondContact O-N 3.32Å; A205-A207 PolarHBondContact O-N 3.17Å; A207-K211 WeakPolarHBondContact O-CB 3.45Å; A207-K211 PolarHBondContact O-N 3.19Å |
| 208 | K | 91 | Very high | 85 | Confident | 121 Ų | 121 | 106.7 Ų | 106.7 | 53% | 0.526 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -75.3 | -47.1 | 171.5 | -176.9 | 178 | -179.3 | -76.7 | 0 | 110.5 | K204 A205 R206 K211 E212 | K204-K208 WeakPolarHBondContact O-CB 3.33Å; K204-K208 PolarHBondContact O-N 2.84Å; A205-K208 WeakPolarHBondContact O-CB 3.34Å; A205-K208 PolarHBondContact O-N 2.93Å; R206-K208 VanDerWaalsContact C-N 3.28Å; R206-K208 PolarHBondContact O-N 3.11Å; K208-K211 PolarHBondContact O-N 2.93Å; K208-E212 VanDerWaalsContact CE-OE1 3.25Å; K208-E212 WeakPolarHBondContact CE-OE1 3.24Å; K208-E212 IonicContact NZ-OE1 2.71Å; K208-E212 PolarHBondContact NZ-OE1 3.17Å; K208-E212 IonicContact NZ-OE2 2.69Å; K208-E212 PolarHBondContact NZ-OE2 3.25Å; K208-E212 WeakPolarHBondContact O-CG 3.44Å; K208-E212 PolarHBondContact O-N 3.12Å |
| 209 | Q | 85 | Confident | 85 | Confident | 126 Ų | 126 | 102.7 Ų | 102.7 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.7 | -50.2 | 176.9 | -73.3 | 173.7 | -34.9 | 0 | 0 | 111.7 | A205 R206 K211 E212 E213 | A205-Q209 WeakPolarHBondContact O-CG 3.11Å; A205-Q209 PolarHBondContact O-N 3.07Å; R206-Q209 PolarHBondContact O-N 3.36Å; Q209-K211 PolarHBondContact O-N 3.24Å; Q209-E212 PolarHBondContact O-N 3.15Å; Q209-E212 VanDerWaalsContact O-N 3.08Å; Q209-E213 WeakPolarHBondContact O-CB 3.17Å; Q209-E213 PolarHBondContact O-N 3.41Å |
| 210 | E | 89.1 | Confident | 84.7 | Confident | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -32.7 | 177.9 | -167.1 | -162.9 | 150.3 | 0 | 0 | 112.1 | R206 K214 | R206-E210 WeakPolarHBondContact O-CB 3.49Å; R206-E210 PolarHBondContact O-N 2.98Å; E210-K214 HydrophobicContact CG-CD 4.45Å; E210-K214 WeakPolarHBondContact O-CB 3.48Å; E210-K214 WeakPolarHBondContact O-CD 3.47Å; E210-K214 VanDerWaalsContact O-CG 3.24Å; E210-K214 WeakPolarHBondContact O-CG 3.29Å; E210-K214 PolarHBondContact O-N 3.16Å; E210-K214 VanDerWaalsContact O-N 3.08Å; E210-K214 IonicContact OE1-NZ 2.86Å; E210-K214 PolarHBondContact OE1-NZ 3.41Å |
| 211 | K | 87.8 | Confident | 84.4 | Confident | 132 Ų | 132 | 99 Ų | 99 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -75.7 | -40.9 | 176 | -172.5 | -173.3 | 173.5 | -162.3 | 0 | 112.4 | A207 K208 Q209 Q215 | A207-K211 WeakPolarHBondContact O-CB 3.45Å; A207-K211 PolarHBondContact O-N 3.19Å; K208-K211 PolarHBondContact O-N 2.93Å; Q209-K211 PolarHBondContact O-N 3.24Å; K211-Q215 WeakPolarHBondContact O-CB 3.49Å; K211-Q215 WeakPolarHBondContact O-CG 3.35Å; K211-Q215 PolarHBondContact O-N 2.86Å |
| 212 | E | 86.3 | Confident | 83.8 | Confident | 92 Ų | 92 | 97.7 Ų | 97.7 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 175.9 | -75.4 | 170.1 | 173.9 | 0 | 0 | 110.9 | K208 Q209 Q215 K216 | K208-E212 VanDerWaalsContact CE-OE1 3.25Å; K208-E212 WeakPolarHBondContact CE-OE1 3.24Å; K208-E212 IonicContact NZ-OE1 2.71Å; K208-E212 PolarHBondContact NZ-OE1 3.17Å; K208-E212 IonicContact NZ-OE2 2.69Å; K208-E212 PolarHBondContact NZ-OE2 3.25Å; K208-E212 WeakPolarHBondContact O-CG 3.44Å; K208-E212 PolarHBondContact O-N 3.12Å; Q209-E212 PolarHBondContact O-N 3.15Å; Q209-E212 VanDerWaalsContact O-N 3.08Å; E212-Q215 PolarHBondContact O-N 2.81Å; E212-K216 PolarHBondContact O-N 2.83Å |
| 213 | E | 85.5 | Confident | 82.7 | Confident | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 175.4 | -171.6 | 174.5 | -165.9 | 0 | 0 | 111.8 | Q209 Q215 K216 Q217 | Q209-E213 WeakPolarHBondContact O-CB 3.17Å; Q209-E213 PolarHBondContact O-N 3.41Å; E213-Q215 VanDerWaalsContact C-N 3.28Å; E213-Q215 PolarHBondContact O-N 3.1Å; E213-K216 PolarHBondContact O-N 2.87Å; E213-Q217 WeakPolarHBondContact O-CB 3.15Å; E213-Q217 WeakPolarHBondContact O-CG 3.35Å; E213-Q217 PolarHBondContact O-N 2.81Å |
| 214 | K | 86.4 | Confident | 81.8 | Confident | 118 Ų | 118 | 102 Ų | 102 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 172.6 | -77.2 | 171.1 | 179.6 | 174.4 | 0 | 113.1 | E210 A218 | E210-K214 HydrophobicContact CG-CD 4.45Å; E210-K214 WeakPolarHBondContact O-CB 3.48Å; E210-K214 WeakPolarHBondContact O-CD 3.47Å; E210-K214 VanDerWaalsContact O-CG 3.24Å; E210-K214 WeakPolarHBondContact O-CG 3.29Å; E210-K214 PolarHBondContact O-N 3.16Å; E210-K214 VanDerWaalsContact O-N 3.08Å; E210-K214 IonicContact OE1-NZ 2.86Å; E210-K214 PolarHBondContact OE1-NZ 3.41Å; K214-A218 VanDerWaalsContact O-CB 3.3Å; K214-A218 WeakPolarHBondContact O-CB 3.34Å; K214-A218 PolarHBondContact O-N 3.36Å; K214-A218 VanDerWaalsContact O-N 3.1Å |
| 215 | Q | 80.8 | Confident | 80.6 | Confident | 119 Ų | 119 | 97.4 Ų | 97.4 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.1 | -40.4 | 173.4 | -78.2 | -177.7 | -32.6 | 0 | 0 | 111.8 | K211 E212 E213 A218 A219 | K211-Q215 WeakPolarHBondContact O-CB 3.49Å; K211-Q215 WeakPolarHBondContact O-CG 3.35Å; K211-Q215 PolarHBondContact O-N 2.86Å; E212-Q215 PolarHBondContact O-N 2.81Å; E213-Q215 VanDerWaalsContact C-N 3.28Å; E213-Q215 PolarHBondContact O-N 3.1Å; Q215-A218 PolarHBondContact O-N 3.16Å; Q215-A219 WeakPolarHBondContact O-CB 3.18Å; Q215-A219 PolarHBondContact O-N 2.98Å |
| 216 | K | 82 | Confident | 79.3 | Confident | 136 Ų | 136 | 97.1 Ų | 97.1 | 59% | 0.591 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.6 | -48.4 | 176.6 | -166.2 | -175.7 | 174.7 | -171.6 | 0 | 111.5 | E212 E213 A218 A219 D220 | E212-K216 PolarHBondContact O-N 2.83Å; E213-K216 PolarHBondContact O-N 2.87Å; K216-A218 VanDerWaalsContact C-N 3.26Å; K216-A218 PolarHBondContact O-N 3.13Å; K216-A219 PolarHBondContact O-N 2.61Å; K216-D220 WeakPolarHBondContact O-CB 3.28Å; K216-D220 VanDerWaalsContact O-CG 3.23Å; K216-D220 PolarHBondContact O-N 3Å |
| 217 | Q | 76.3 | Confident | 77.7 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.9 | -37.4 | 174.8 | -71.3 | 176 | 5.7 | 0 | 0 | 112.5 | E213 A221 | E213-Q217 WeakPolarHBondContact O-CB 3.15Å; E213-Q217 WeakPolarHBondContact O-CG 3.35Å; E213-Q217 PolarHBondContact O-N 2.81Å; Q217-A221 WeakPolarHBondContact O-CB 3.48Å; Q217-A221 PolarHBondContact O-N 3.03Å |
| 218 | A | 79.9 | Confident | 76.2 | Confident | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K214 Q215 K216 E222 | K214-A218 VanDerWaalsContact O-CB 3.3Å; K214-A218 WeakPolarHBondContact O-CB 3.34Å; K214-A218 PolarHBondContact O-N 3.36Å; K214-A218 VanDerWaalsContact O-N 3.1Å; Q215-A218 PolarHBondContact O-N 3.16Å; K216-A218 VanDerWaalsContact C-N 3.26Å; K216-A218 PolarHBondContact O-N 3.13Å; A218-E222 VanDerWaalsContact O-CB 3.28Å; A218-E222 WeakPolarHBondContact O-CB 3.49Å; A218-E222 PolarHBondContact O-N 3.45Å |
| 219 | A | 77 | Confident | 74.5 | Confident | 48 Ų | 48 | 95.6 Ų | 95.6 | 40% | 0.397 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q215 K216 E222 M223 | Q215-A219 WeakPolarHBondContact O-CB 3.18Å; Q215-A219 PolarHBondContact O-N 2.98Å; K216-A219 PolarHBondContact O-N 2.61Å; A219-E222 PolarHBondContact O-N 3.49Å; A219-M223 WeakPolarHBondContact O-CB 3.31Å; A219-M223 PolarHBondContact O-N 3.04Å |
| 220 | D | 73.4 | Confident | 73 | Confident | 83 Ų | 83 | 93.1 Ų | 93.1 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 177.3 | -64.2 | -14.2 | 0 | 0 | 0 | 110.5 | K216 M223 K224 | K216-D220 WeakPolarHBondContact O-CB 3.28Å; K216-D220 VanDerWaalsContact O-CG 3.23Å; K216-D220 PolarHBondContact O-N 3Å; D220-M223 PolarHBondContact O-N 2.97Å; D220-K224 WeakPolarHBondContact O-CB 3.46Å; D220-K224 PolarHBondContact O-N 3.19Å |
| 221 | A | 79 | Confident | 71.5 | Confident | 61 Ų | 61 | 88.9 Ų | 88.9 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | Q217 S225 | Q217-A221 WeakPolarHBondContact O-CB 3.48Å; Q217-A221 PolarHBondContact O-N 3.03Å; A221-S225 WeakPolarHBondContact O-CB 3.28Å; A221-S225 PolarHBondContact O-N 3.39Å |
| 222 | E | 73.1 | Confident | 70.1 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 173.9 | -177.4 | 160.2 | -129.3 | 0 | 0 | 111.3 | A218 A219 S225 L226 L319 Q323 | A218-E222 VanDerWaalsContact O-CB 3.28Å; A218-E222 WeakPolarHBondContact O-CB 3.49Å; A218-E222 PolarHBondContact O-N 3.45Å; A219-E222 PolarHBondContact O-N 3.49Å; E222-S225 PolarHBondContact O-N 3.2Å; E222-L226 WeakPolarHBondContact O-CG 3.48Å; E222-L226 PolarHBondContact O-N 3.31Å; E222-L319 HydrophobicContact CG-CD2 3.71Å; E222-L319 WeakPolarHBondContact OE1-CD2 3.45Å; E222-Q323 PolarHBondContact OE1-NE2 3.41Å; E222-Q323 PolarHBondContact OE2-NE2 3.04Å |
| 223 | M | 63.5 | Low | 69 | Low | 112 Ų | 112 | 79 Ų | 79 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.8 | -46.4 | 174.5 | -169.9 | 176.5 | -64.3 | 0 | 0 | 111.7 | A219 D220 S225 L226 E227 | A219-M223 WeakPolarHBondContact O-CB 3.31Å; A219-M223 PolarHBondContact O-N 3.04Å; D220-M223 PolarHBondContact O-N 2.97Å; M223-S225 VanDerWaalsContact C-N 3.31Å; M223-S225 PolarHBondContact O-N 3.35Å; M223-L226 WeakPolarHBondContact O-CA 3.22Å; M223-L226 WeakPolarHBondContact O-CB 3.48Å; M223-L226 PolarHBondContact O-N 3.3Å; M223-E227 PolarHBondContact O-N 3.18Å |
| 224 | K | 68.6 | Low | 68.1 | Low | 123 Ų | 123 | 73.4 Ų | 73.4 | 54% | 0.535 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 175.3 | -171.1 | 175.7 | -179.3 | -171 | 0 | 112.3 | D220 L226 E227 E228 | D220-K224 WeakPolarHBondContact O-CB 3.46Å; D220-K224 PolarHBondContact O-N 3.19Å; K224-L226 PolarHBondContact O-N 3.47Å; K224-E227 PolarHBondContact O-N 3.47Å; K224-E228 WeakPolarHBondContact CE-OE1 3.35Å; K224-E228 IonicContact NZ-OE1 3.05Å; K224-E228 WeakPolarHBondContact O-CG 3.45Å; K224-E228 PolarHBondContact O-N 3.08Å |
| 225 | S | 63.9 | Low | 67.5 | Low | 47 Ų | 47 | 70.3 Ų | 70.3 | 33% | 0.329 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.6 | -20 | 174.3 | -162.7 | 0 | 0 | 0 | 0 | 113 | A221 E222 M223 K229 | A221-S225 WeakPolarHBondContact O-CB 3.28Å; A221-S225 PolarHBondContact O-N 3.39Å; E222-S225 PolarHBondContact O-N 3.2Å; M223-S225 VanDerWaalsContact C-N 3.31Å; M223-S225 PolarHBondContact O-N 3.35Å; S225-K229 WeakPolarHBondContact O-CG 3.38Å; S225-K229 PolarHBondContact O-NZ 2.92Å; S225-K229 PolarHBondContact OG-NZ 3.39Å |
| 226 | L | 58.9 | Low | 67 | Low | 39 Ų | 39 | 64.8 Ų | 64.8 | 20% | 0.204 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -76.9 | -43.8 | 169.9 | -73.9 | 166 | 0 | 0 | 0 | 111.3 | E222 M223 K224 E228 K229 L315 L319 | E222-L226 WeakPolarHBondContact O-CG 3.48Å; E222-L226 PolarHBondContact O-N 3.31Å; M223-L226 WeakPolarHBondContact O-CA 3.22Å; M223-L226 WeakPolarHBondContact O-CB 3.48Å; M223-L226 PolarHBondContact O-N 3.3Å; K224-L226 PolarHBondContact O-N 3.47Å; L226-E228 VanDerWaalsContact C-N 3.35Å; L226-E228 PolarHBondContact O-N 3.26Å; L226-K229 PolarHBondContact O-N 3.47Å; L226-K229 VanDerWaalsContact O-N 3.11Å; L226-L315 HydrophobicContact CD2-CB 4.12Å; L226-L315 HydrophobicContact CD2-CD2 4.46Å; L226-L319 HydrophobicContact CD1-CD2 3.9Å; L226-L319 HydrophobicContact CD2-CB 4.34Å; L226-L319 HydrophobicContact CD2-CD1 4.29Å; L226-L319 HydrophobicContact CD2-CD2 4.02Å; L226-L319 HydrophobicContact CD2-CG 4.46Å; L226-L319 HydrophobicContact CG-CD2 4.14Å |
| 227 | E | 55.8 | Low | 66 | Low | 120 Ų | 120 | 63.4 Ų | 63.4 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.3 | -38.8 | 178.5 | -67.7 | 177 | 152.9 | 0 | 0 | 112.1 | M223 K224 K229 T230 | M223-E227 PolarHBondContact O-N 3.18Å; K224-E227 PolarHBondContact O-N 3.47Å; E227-K229 PolarHBondContact O-N 2.98Å; E227-K229 VanDerWaalsContact O-N 3.07Å; E227-T230 PolarHBondContact O-N 3.26Å; E227-T230 PolarHBondContact O-OG1 3.5Å |
| 228 | E | 57.3 | Low | 65.3 | Low | 136 Ų | 136 | 58.4 Ų | 58.4 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -2 | 174.4 | -71.3 | 171.6 | 177 | 0 | 0 | 114.4 | K224 L226 | K224-E228 WeakPolarHBondContact CE-OE1 3.35Å; K224-E228 IonicContact NZ-OE1 3.05Å; K224-E228 WeakPolarHBondContact O-CG 3.45Å; K224-E228 PolarHBondContact O-N 3.08Å; L226-E228 VanDerWaalsContact C-N 3.35Å; L226-E228 PolarHBondContact O-N 3.26Å |
| 229 | K | 55.6 | Low | 64.2 | Low | 50 Ų | 50 | 60.2 Ų | 60.2 | 22% | 0.217 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 13.4 | 179.2 | -63.8 | -174.5 | -162.3 | 92.5 | 0 | 114.4 | S225 L226 E227 C232 | S225-K229 WeakPolarHBondContact O-CG 3.38Å; S225-K229 PolarHBondContact O-NZ 2.92Å; S225-K229 PolarHBondContact OG-NZ 3.39Å; L226-K229 PolarHBondContact O-N 3.47Å; L226-K229 VanDerWaalsContact O-N 3.11Å; E227-K229 PolarHBondContact O-N 2.98Å; E227-K229 VanDerWaalsContact O-N 3.07Å; K229-C232 WeakPolarHBondContact O-CB 3.26Å |
| 230 | T | 53.6 | Low | 63.2 | Low | 73 Ų | 73 | 58.7 Ų | 58.7 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 140.7 | 172.9 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | E227 E311 | E227-T230 PolarHBondContact O-N 3.26Å; E227-T230 PolarHBondContact O-OG1 3.5Å; T230-E311 WeakPolarHBondContact CA-OE2 3.42Å; T230-E311 WeakPolarHBondContact CB-OE2 3.5Å |
| 231 | G | 56 | Low | 62.3 | Low | 14 Ų | 14 | 59.2 Ų | 59.2 | 14% | 0.144 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 10.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I278 A279 E311 | G231-I278 WeakPolarHBondContact O-CA 3.46Å; G231-A279 PolarHBondContact O-N 3.38Å; G231-E311 WeakPolarHBondContact CA-OE1 3.37Å; G231-E311 PolarHBondContact N-OE1 3.36Å; G231-E311 PolarHBondContact N-OE2 3.12Å |
| 232 | C | 59.4 | Low | 61.2 | Low | 17 Ų | 17 | 61.9 Ų | 61.9 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | trans | -115 | 2 | -171 | -63.9 | 0 | 0 | 0 | 0 | 114.5 | K229 L274 F275 D277 E311 | K229-C232 WeakPolarHBondContact O-CB 3.26Å; C232-L274 HydrophobicContact CB-CD1 4.19Å; C232-F275 PolarHBondContact O-N 3.36Å; C232-D277 PolarHBondContact SG-O 2.91Å; C232-E311 PolarHBondContact N-OE1 3.49Å | ||
| 233 | L | 63.7 | Low | 60.3 | Low | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.5 | -179.1 | -81.8 | 70.8 | 0 | 0 | 0 | 112.9 | I272 I273 L274 L306 E311 A314 L315 I318 | L233-I272 HydrophobicContact CB-CG2 4.38Å; L233-I272 HydrophobicContact CD2-CG2 3.89Å; L233-I272 HydrophobicContact CG-CG2 4.15Å; L233-I273 WeakPolarHBondContact CA-O 3.38Å; L233-L274 HydrophobicContact CD1-CD1 3.43Å; L233-L274 VanDerWaalsContact CD1-CD1 3.43Å; L233-L274 HydrophobicContact CG-CD1 4.23Å; L233-L306 HydrophobicContact CB-CB 4.24Å; L233-L306 PolarHBondContact O-N 2.8Å; L233-L306 VanDerWaalsContact O-N 3.1Å; L233-E311 HydrophobicContact CB-CG 4.06Å; L233-E311 HydrophobicContact CD1-CG 3.9Å; L233-E311 HydrophobicContact CD2-CG 4.1Å; L233-E311 HydrophobicContact CG-CG 4.23Å; L233-E311 PolarHBondContact N-OE1 3.02Å; L233-A314 HydrophobicContact CD2-CB 3.53Å; L233-L315 HydrophobicContact CD1-CD1 4.02Å; L233-L315 HydrophobicContact CD1-CD2 3.6Å; L233-L315 HydrophobicContact CD1-CG 3.52Å; L233-L315 HydrophobicContact CD2-CG 4Å; L233-L315 HydrophobicContact CG-CG 4.44Å; L233-I318 HydrophobicContact CD2-CD1 4.31Å |
| 234 | L | 67.1 | Low | 60 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.2 | 170.6 | -173.2 | 64.9 | 0 | 0 | 0 | 109.9 | F253 I272 I273 F275 A279 L283 W303 V305 | L234-F253 HydrophobicContact CD2-CE1 4.38Å; L234-F253 HydrophobicContact CD2-CZ 4.17Å; L234-I272 WeakPolarHBondContact O-CA 3.43Å; L234-I273 PolarHBondContact N-O 3.43Å; L234-I273 PolarHBondContact O-N 3Å; L234-F275 HydrophobicContact CB-CD2 4.29Å; L234-F275 HydrophobicContact CB-CE2 3.81Å; L234-F275 HydrophobicContact CD2-CE2 3.88Å; L234-F275 HydrophobicContact CD2-CZ 4.42Å; L234-A279 HydrophobicContact CB-CB 4.39Å; L234-L283 HydrophobicContact CD1-CB 4.49Å; L234-L283 HydrophobicContact CD1-CD1 3.38Å; L234-L283 HydrophobicContact CD2-CB 4.5Å; L234-L283 HydrophobicContact CD2-CD1 4.23Å; L234-L283 HydrophobicContact CG-CD1 4.46Å; L234-W303 HydrophobicContact CD1-CB 4.31Å; L234-W303 HydrophobicContact CD2-CE3 3.62Å; L234-W303 HydrophobicContact CD2-CZ3 4.23Å; L234-W303 HydrophobicContact CG-CE3 4.16Å; L234-V305 HydrophobicContact CD1-CG2 3.86Å |
| 235 | K | 72.8 | Confident | 59.4 | Low | 53 Ų | 53 | 56.2 Ų | 56.2 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 140.6 | 167.3 | -171.6 | 177 | -177.2 | -177.5 | 0 | 109.1 | E270 G271 I272 E304 L306 | K235-E270 WeakPolarHBondContact CE-OE2 3.35Å; K235-E270 IonicContact NZ-OE2 3.07Å; K235-E270 PolarHBondContact NZ-OE2 3.4Å; K235-G271 WeakPolarHBondContact CA-O 3.46Å; K235-I272 HydrophobicContact CG-CG1 4.46Å; K235-E304 PolarHBondContact N-O 3.48Å; K235-E304 PolarHBondContact O-N 2.93Å; K235-L306 HydrophobicContact CB-CD1 3.98Å; K235-L306 HydrophobicContact CB-CD2 4.31Å; K235-L306 HydrophobicContact CB-CG 3.89Å; K235-L306 HydrophobicContact CD-CD2 4.45Å |
| 236 | F | 70.1 | Confident | 59.2 | Low | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.009 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.3 | 168.9 | 64.8 | -88.4 | 0 | 0 | 0 | 110.5 | L240 L249 F264 E270 G271 I273 V301 T302 W303 | F236-L240 HydrophobicContact CD2-CD1 4.03Å; F236-L240 HydrophobicContact CE2-CD1 3.65Å; F236-L249 HydrophobicContact CE1-CD1 4.19Å; F236-L249 HydrophobicContact CE1-CD2 4.25Å; F236-L249 HydrophobicContact CE2-CD1 4.43Å; F236-L249 HydrophobicContact CE2-CD2 4.34Å; F236-L249 HydrophobicContact CZ-CD1 3.66Å; F236-L249 HydrophobicContact CZ-CD2 4.03Å; F236-F264 AromaticContact CE2-CD2 3.98Å; F236-F264 HydrophobicContact CE2-CD2 3.98Å; F236-F264 HydrophobicContact CE2-CE2 4.1Å; F236-F264 HydrophobicContact CZ-CB 4.32Å; F236-F264 AromaticContact CZ-CD2 3.69Å; F236-F264 HydrophobicContact CZ-CD2 3.69Å; F236-F264 HydrophobicContact CZ-CE2 4.26Å; F236-F264 HydrophobicContact CZ-CG 4.14Å; F236-E270 VanDerWaalsContact O-CA 3.28Å; F236-E270 WeakPolarHBondContact O-CA 3.23Å; F236-G271 VanDerWaalsContact CD1-O 3.29Å; F236-G271 WeakPolarHBondContact CD1-O 3.45Å; F236-G271 PolarHBondContact N-O 3Å; F236-G271 PolarHBondContact O-N 3.04Å; F236-I273 HydrophobicContact CD1-CD1 4.02Å; F236-I273 HydrophobicContact CD1-CG1 3.86Å; F236-I273 HydrophobicContact CE1-CD1 4.1Å; F236-I273 HydrophobicContact CE1-CG1 3.72Å; F236-V301 HydrophobicContact CB-CG1 3.83Å; F236-V301 HydrophobicContact CD2-CG1 4.4Å; F236-T302 WeakPolarHBondContact CA-O 3.46Å; F236-W303 HydrophobicContact CB-CD2 4.25Å; F236-W303 HydrophobicContact CB-CE3 3.56Å; F236-W303 HydrophobicContact CB-CH2 4.22Å; F236-W303 HydrophobicContact CB-CZ3 3.54Å; F236-W303 HydrophobicContact CD1-CZ3 4.2Å; F236-W303 HydrophobicContact CG-CE3 4.49Å; F236-W303 HydrophobicContact CG-CZ3 4.01Å |
| 237 | F | 61.9 | Low | 59.4 | Low | 108 Ų | 108 | 66.3 Ų | 66.3 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 132.6 | 177.3 | -177.8 | -87.7 | 0 | 0 | 0 | 109.6 | K269 E270 T302 | F237-K269 WeakPolarHBondContact CA-O 3.44Å; F237-K269 WeakPolarHBondContact CD2-O 3.09Å; F237-K269 HydrophobicContact CE2-CB 4.28Å; F237-E270 HydrophobicContact CD2-CB 4.15Å; F237-T302 PolarHBondContact N-O 2.91Å; F237-T302 PolarHBondContact O-N 3.18Å |
| 238 | G | 61.5 | Low | 59.8 | Low | 6 Ų | 6 | 62.2 Ų | 62.2 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | trans | -175.7 | 164.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | L240 K269 | G238-L240 PolarHBondContact O-N 2.89Å; G238-K269 PolarHBondContact N-O 3.44Å; G238-K269 WeakPolarHBondContact O-CA 3.45Å; G238-K269 VanDerWaalsContact O-O 3.11Å | ||
| 239 | D | 56 | Low | 60.2 | Low | 98 Ų | 98 | 55.8 Ų | 55.8 | 52% | 0.524 | 28% | 0.281 | S | S | . | . | trans | -84.5 | 66.9 | -178.8 | -143.5 | 22.6 | 0 | 0 | 0 | 110.9 | K269 K299 | D239-K269 VanDerWaalsContact OD1-CE 3.29Å; D239-K269 WeakPolarHBondContact OD1-CE 3.31Å; D239-K269 IonicContact OD1-NZ 3.99Å; D239-K269 PolarHBondContact OD1-NZ 3.04Å; D239-K299 WeakPolarHBondContact O-CD 3.49Å; D239-K299 WeakPolarHBondContact O-CE 3.25Å; D239-K299 PolarHBondContact O-NZ 3.47Å | ||
| 240 | L | 56.5 | Low | 60.4 | Low | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | trans | -74 | 126 | -172.6 | -58 | 162 | 0 | 0 | 0 | 110.5 | F236 G238 T244 F264 L296 V301 | F236-L240 HydrophobicContact CD2-CD1 4.03Å; F236-L240 HydrophobicContact CE2-CD1 3.65Å; G238-L240 PolarHBondContact O-N 2.89Å; L240-T244 HydrophobicContact CD2-CG2 4.26Å; L240-F264 HydrophobicContact CD1-CE2 3.78Å; L240-F264 HydrophobicContact CD1-CZ 4.05Å; L240-L296 HydrophobicContact CD2-CB 4.38Å; L240-V301 HydrophobicContact CD2-CG2 4.27Å | ||
| 241 | D | 54.5 | Low | 60.9 | Low | 94 Ų | 94 | 57.6 Ų | 57.6 | 50% | 0.503 | 30% | 0.297 | S | S | . | . | trans | -72.4 | 159.8 | 177.3 | -64.1 | -46.5 | 0 | 0 | 0 | 111.8 | Q243 T244 K299 | D241-Q243 PolarHBondContact O-N 3.12Å; D241-T244 PolarHBondContact O-N 3.25Å; D241-T244 PolarHBondContact O-OG1 3.12Å; D241-T244 VanDerWaalsContact O-OG1 3.11Å; D241-K299 IonicContact OD1-NZ 2.73Å; D241-K299 PolarHBondContact OD1-NZ 3.04Å; D241-K299 WeakPolarHBondContact OD2-CE 3.4Å; D241-K299 IonicContact OD2-NZ 2.64Å; D241-K299 PolarHBondContact OD2-NZ 3.27Å | ||
| 242 | D | 56.2 | Low | 61.2 | Low | 117 Ų | 117 | 58.2 Ų | 58.2 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -0.8 | 178.4 | -66.7 | -39.9 | 0 | 0 | 0 | 115.3 | R266 | D242-R266 VanDerWaalsContact O-CZ 3.24Å; D242-R266 PolarHBondContact O-NE 3.13Å; D242-R266 PolarHBondContact O-NH2 2.94Å |
| 243 | Q | 54.6 | Low | 61.3 | Low | 132 Ų | 132 | 57.4 Ų | 57.4 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -4.8 | 177.2 | -59.5 | -170.8 | 10.7 | 0 | 0 | 114.3 | D241 C245 R297 | D241-Q243 PolarHBondContact O-N 3.12Å; Q243-C245 PolarHBondContact O-N 3.4Å; Q243-R297 PolarHBondContact O-NH1 3.46Å |
| 244 | T | 55.3 | Low | 61.1 | Low | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | trans | -71.8 | 119 | 177.9 | -41.9 | 0 | 0 | 0 | 0 | 110.2 | L240 D241 L296 | L240-T244 HydrophobicContact CD2-CG2 4.26Å; D241-T244 PolarHBondContact O-N 3.25Å; D241-T244 PolarHBondContact O-OG1 3.12Å; D241-T244 VanDerWaalsContact O-OG1 3.11Å; T244-L296 HydrophobicContact CG2-CD2 3.51Å | ||
| 245 | C | 57.6 | Low | 60.7 | Low | 48 Ų | 48 | 67.9 Ų | 67.9 | 32% | 0.324 | 36% | 0.355 | S | S | . | . | trans | -107.8 | 159.3 | -174.8 | -78.8 | 0 | 0 | 0 | 0 | 111.7 | Q243 E247 D248 | Q243-C245 PolarHBondContact O-N 3.4Å; C245-E247 PolarHBondContact O-N 3.16Å; C245-E247 VanDerWaalsContact O-N 3.13Å; C245-D248 WeakPolarHBondContact CA-OD2 3.22Å; C245-D248 WeakPolarHBondContact CB-OD2 3.25Å; C245-D248 PolarHBondContact N-OD2 2.96Å; C245-D248 WeakPolarHBondContact O-CB 3Å; C245-D248 PolarHBondContact O-N 3.43Å; C245-D248 VanDerWaalsContact O-N 3.07Å | ||
| 246 | R | 58.7 | Low | 59.9 | Low | 139 Ų | 139 | 67.5 Ų | 67.5 | 53% | 0.525 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61 | -21.3 | 175.1 | -64.8 | 178.4 | -179.7 | 171.5 | -2.3 | 112.9 | H250 F264 | R246-H250 PolarHBondContact O-N 2.97Å; R246-F264 PolarHBondContact NE-O 3.49Å; R246-F264 PolarHBondContact NH2-O 3.09Å |
| 247 | E | 64.2 | Low | 59.2 | Low | 158 Ų | 158 | 68.2 Ų | 68.2 | 74% | 0.738 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -73.3 | -36.6 | 175.6 | -65.5 | 171.9 | 178.4 | 0 | 0 | 112 | C245 L249 H250 A251 | C245-E247 PolarHBondContact O-N 3.16Å; C245-E247 VanDerWaalsContact O-N 3.13Å; E247-L249 VanDerWaalsContact C-N 3.29Å; E247-L249 PolarHBondContact O-N 3.15Å; E247-H250 PolarHBondContact O-N 3.27Å; E247-A251 PolarHBondContact O-N 2.91Å |
| 248 | D | 63.9 | Low | 59 | Low | 35 Ų | 35 | 68.6 Ų | 68.6 | 19% | 0.187 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.8 | -39 | 174.3 | -57.5 | -79.6 | 0 | 0 | 0 | 110.7 | C245 A251 V252 L296 R297 | C245-D248 WeakPolarHBondContact CA-OD2 3.22Å; C245-D248 WeakPolarHBondContact CB-OD2 3.25Å; C245-D248 PolarHBondContact N-OD2 2.96Å; C245-D248 WeakPolarHBondContact O-CB 3Å; C245-D248 PolarHBondContact O-N 3.43Å; C245-D248 VanDerWaalsContact O-N 3.07Å; D248-A251 PolarHBondContact O-N 3.05Å; D248-V252 WeakPolarHBondContact O-CG2 3.44Å; D248-V252 PolarHBondContact O-N 3.07Å; D248-L296 HydrophobicContact CB-CD2 4.14Å; D248-R297 VanDerWaalsContact CG-NH2 3.33Å; D248-R297 IonicContact OD1-CZ 2.73Å; D248-R297 VanDerWaalsContact OD1-CZ 3.29Å; D248-R297 IonicContact OD1-NE 2.69Å; D248-R297 PolarHBondContact OD1-NE 2.9Å; D248-R297 IonicContact OD1-NH2 3.13Å; D248-R297 PolarHBondContact OD1-NH2 3.28Å; D248-R297 IonicContact OD2-CZ 3.17Å; D248-R297 IonicContact OD2-NE 2.62Å; D248-R297 IonicContact OD2-NH2 3.29Å; D248-R297 PolarHBondContact OD2-NH2 3.36Å |
| 249 | L | 64.5 | Low | 59.2 | Low | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68 | -35.1 | 175.8 | -70.6 | 164.2 | 0 | 0 | 0 | 112.5 | F236 E247 I262 I273 L296 W303 | F236-L249 HydrophobicContact CE1-CD1 4.19Å; F236-L249 HydrophobicContact CE1-CD2 4.25Å; F236-L249 HydrophobicContact CE2-CD1 4.43Å; F236-L249 HydrophobicContact CE2-CD2 4.34Å; F236-L249 HydrophobicContact CZ-CD1 3.66Å; F236-L249 HydrophobicContact CZ-CD2 4.03Å; E247-L249 VanDerWaalsContact C-N 3.29Å; E247-L249 PolarHBondContact O-N 3.15Å; L249-I262 HydrophobicContact CB-CD1 3.84Å; L249-I262 HydrophobicContact CD1-CD1 4.49Å; L249-I262 HydrophobicContact CD1-CG2 3.87Å; L249-I273 HydrophobicContact CD2-CD1 4.26Å; L249-L296 HydrophobicContact CD2-CD1 3.83Å; L249-L296 HydrophobicContact CD2-CD2 3.73Å; L249-L296 HydrophobicContact CD2-CG 4.41Å; L249-L296 HydrophobicContact CG-CD2 4Å; L249-W303 HydrophobicContact CD2-CH2 4.4Å |
| 250 | H | 61.6 | Low | 59.7 | Low | 86 Ų | 86 | 70.1 Ų | 70.1 | 40% | 0.398 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 171 | -97.1 | -78.6 | 0 | 0 | 0 | 111.9 | R246 E247 V252 F253 S254 | R246-H250 PolarHBondContact O-N 2.97Å; E247-H250 PolarHBondContact O-N 3.27Å; H250-V252 VanDerWaalsContact C-N 3.32Å; H250-V252 PolarHBondContact O-N 3.46Å; H250-F253 PolarHBondContact O-N 2.97Å; H250-S254 VanDerWaalsContact O-CB 3.27Å; H250-S254 WeakPolarHBondContact O-CB 3.42Å; H250-S254 PolarHBondContact O-N 3.48Å; H250-S254 PolarHBondContact O-OG 2.73Å |
| 251 | A | 63 | Low | 60.1 | Low | 74 Ų | 74 | 73.1 Ų | 73.1 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.1 | -35.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E247 D248 | E247-A251 PolarHBondContact O-N 2.91Å; D248-A251 PolarHBondContact O-N 3.05Å |
| 252 | V | 62.4 | Low | 60.8 | Low | 28 Ų | 28 | 69.2 Ų | 69.2 | 17% | 0.17 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -75.6 | -28.5 | -179.6 | 174.1 | 0 | 0 | 0 | 0 | 113.2 | D248 H250 L294 | D248-V252 WeakPolarHBondContact O-CG2 3.44Å; D248-V252 PolarHBondContact O-N 3.07Å; H250-V252 VanDerWaalsContact C-N 3.32Å; H250-V252 PolarHBondContact O-N 3.46Å; V252-L294 HydrophobicContact CG1-CD2 3.64Å |
| 253 | F | 61.4 | Low | 61.3 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -114.4 | -8.1 | -173.6 | -72.9 | -81.2 | 0 | 0 | 0 | 115.1 | L234 H250 D255 H256 G257 I259 I273 F275 A286 W303 | L234-F253 HydrophobicContact CD2-CE1 4.38Å; L234-F253 HydrophobicContact CD2-CZ 4.17Å; H250-F253 PolarHBondContact O-N 2.97Å; F253-D255 PolarHBondContact O-N 2.69Å; F253-D255 VanDerWaalsContact O-N 3.11Å; F253-H256 PolarHBondContact O-N 2.89Å; F253-G257 PolarHBondContact O-N 3.38Å; F253-G257 VanDerWaalsContact O-O 3.12Å; F253-I259 HydrophobicContact CB-CD1 3.57Å; F253-I259 HydrophobicContact CB-CG1 4.08Å; F253-I259 HydrophobicContact CG-CD1 4.41Å; F253-I273 HydrophobicContact CD2-CD1 4.23Å; F253-I273 HydrophobicContact CE2-CD1 4Å; F253-F275 HydrophobicContact CB-CE1 4.16Å; F253-F275 HydrophobicContact CB-CZ 4.41Å; F253-F275 AromaticContact CD1-CE1 3.93Å; F253-F275 HydrophobicContact CD1-CE1 3.93Å; F253-F275 AromaticContact CD1-CZ 3.6Å; F253-F275 HydrophobicContact CD1-CZ 3.6Å; F253-F275 AromaticContact CE1-CZ 3.93Å; F253-F275 HydrophobicContact CE1-CZ 3.93Å; F253-F275 HydrophobicContact CG-CE1 4.17Å; F253-F275 AromaticContact CG-CZ 3.94Å; F253-F275 HydrophobicContact CG-CZ 3.94Å; F253-A286 HydrophobicContact CD1-CB 4.11Å; F253-A286 HydrophobicContact CE1-CB 3.69Å; F253-W303 HydrophobicContact CE2-CE3 4.4Å; F253-W303 AromaticContact CE2-CH2 3.49Å; F253-W303 HydrophobicContact CE2-CH2 3.49Å; F253-W303 VanDerWaalsContact CE2-CH2 3.49Å; F253-W303 HydrophobicContact CE2-CZ2 4.29Å; F253-W303 AromaticContact CE2-CZ3 3.54Å; F253-W303 HydrophobicContact CE2-CZ3 3.54Å; F253-W303 AromaticContact CZ-CE3 3.98Å; F253-W303 HydrophobicContact CZ-CE3 3.98Å; F253-W303 AromaticContact CZ-CH2 3.78Å; F253-W303 HydrophobicContact CZ-CH2 3.78Å; F253-W303 HydrophobicContact CZ-CZ2 4.33Å; F253-W303 AromaticContact CZ-CZ3 3.58Å; F253-W303 HydrophobicContact CZ-CZ3 3.58Å |
| 254 | S | 59.8 | Low | 62 | Low | 76 Ų | 76 | 60.2 Ų | 60.2 | 53% | 0.531 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -34.9 | 179.1 | -75.6 | 0 | 0 | 0 | 0 | 113.9 | H250 | H250-S254 VanDerWaalsContact O-CB 3.27Å; H250-S254 WeakPolarHBondContact O-CB 3.42Å; H250-S254 PolarHBondContact O-N 3.48Å; H250-S254 PolarHBondContact O-OG 2.73Å |
| 255 | D | 58.3 | Low | 62.5 | Low | 144 Ų | 144 | 64.2 Ų | 64.2 | 77% | 0.77 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -3.9 | -178.1 | -62.2 | -28.5 | 0 | 0 | 0 | 113.5 | F253 | F253-D255 PolarHBondContact O-N 2.69Å; F253-D255 VanDerWaalsContact O-N 3.11Å |
| 256 | H | 56.8 | Low | 62.5 | Low | 45 Ų | 45 | 70.2 Ų | 70.2 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | -14.7 | -170.4 | -58.2 | -44.8 | 0 | 0 | 0 | 114.9 | F253 K285 A286 A289 | F253-H256 PolarHBondContact O-N 2.89Å; H256-K285 HydrophobicContact CB-CB 4.28Å; H256-A286 HydrophobicContact CB-CB 4.25Å; H256-A289 WeakPolarHBondContact CE1-CB 3.32Å; H256-A289 VanDerWaalsContact NE2-CB 3.27Å; H256-A289 WeakPolarHBondContact NE2-CB 3.24Å |
| 257 | G | 55.4 | Low | 62.5 | Low | 17 Ų | 17 | 65.5 Ų | 65.5 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | trans | -177.8 | 144.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F253 I259 | F253-G257 PolarHBondContact O-N 3.38Å; F253-G257 VanDerWaalsContact O-O 3.12Å; G257-I259 PolarHBondContact O-N 2.99Å | ||
| 258 | E | 57.2 | Low | 62.6 | Low | 115 Ų | 115 | 59.4 Ų | 59.4 | 54% | 0.537 | 32% | 0.321 | S | S | . | . | trans | -73.1 | 100 | 179.5 | -164.9 | -177.9 | 142.3 | 0 | 0 | 110.3 | K260 K276 | E258-K260 PolarHBondContact O-N 3.36Å; E258-K276 HydrophobicContact CB-CB 4.13Å; E258-K276 HydrophobicContact CB-CD 4.03Å; E258-K276 HydrophobicContact CG-CD 3.99Å; E258-K276 VanDerWaalsContact O-CB 3.25Å; E258-K276 WeakPolarHBondContact O-CB 3.03Å; E258-K276 PolarHBondContact O-N 3.05Å; E258-K276 VanDerWaalsContact OE1-CD 3.29Å; E258-K276 WeakPolarHBondContact OE1-CD 3.41Å; E258-K276 IonicContact OE1-NZ 3.93Å; E258-K276 PolarHBondContact OE1-NZ 2.95Å; E258-K276 VanDerWaalsContact OE2-CD 3.32Å; E258-K276 WeakPolarHBondContact OE2-CD 3.32Å; E258-K276 IonicContact OE2-NZ 2.76Å; E258-K276 PolarHBondContact OE2-NZ 3.1Å | ||
| 259 | I | 64.8 | Low | 62.6 | Low | 21 Ų | 21 | 63.2 Ų | 63.2 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 125.1 | 176.3 | -62.1 | 164.1 | 0 | 0 | 0 | 109.9 | F253 G257 I262 I273 F275 | F253-I259 HydrophobicContact CB-CD1 3.57Å; F253-I259 HydrophobicContact CB-CG1 4.08Å; F253-I259 HydrophobicContact CG-CD1 4.41Å; G257-I259 PolarHBondContact O-N 2.99Å; I259-I262 HydrophobicContact CD1-CD1 4.42Å; I259-I262 HydrophobicContact CG2-CD1 4.18Å; I259-I262 HydrophobicContact CG2-CG1 3.65Å; I259-I273 HydrophobicContact CD1-CG2 4.45Å; I259-I273 HydrophobicContact CG1-CG2 4.01Å; I259-I273 HydrophobicContact CG2-CG2 3.8Å; I259-F275 HydrophobicContact CG1-CD1 4.09Å; I259-F275 HydrophobicContact CG1-CE1 3.65Å; I259-F275 HydrophobicContact CG1-CZ 4.32Å |
| 260 | K | 66.7 | Low | 63 | Low | 116 Ų | 116 | 67.8 Ų | 67.8 | 50% | 0.504 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -33.9 | -179.8 | -171 | 169.8 | -173.3 | 162.8 | 0 | 113 | E258 L274 | E258-K260 PolarHBondContact O-N 3.36Å; K260-L274 HydrophobicContact CB-CD2 4.36Å; K260-L274 HydrophobicContact CB-CG 4.3Å; K260-L274 WeakPolarHBondContact CB-O 3.21Å; K260-L274 HydrophobicContact CD-CD2 4.28Å; K260-L274 HydrophobicContact CG-CD2 4.32Å; K260-L274 PolarHBondContact N-O 3.2Å |
| 261 | W | 66.1 | Low | 63.4 | Low | 78 Ų | 78 | 63.9 Ų | 63.9 | 30% | 0.295 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 146.2 | 176.6 | -169.2 | -101.1 | 0 | 0 | 0 | 111.6 | L274 I318 Q322 L325 | W261-L274 HydrophobicContact CB-CB 4.04Å; W261-L274 HydrophobicContact CB-CD2 4.08Å; W261-L274 PolarHBondContact N-O 3.23Å; W261-L274 VanDerWaalsContact N-O 3.17Å; W261-L274 PolarHBondContact O-N 2.91Å; W261-I318 HydrophobicContact CG-CG2 4.12Å; W261-Q322 HydrophobicContact CD2-CG 4.23Å; W261-Q322 VanDerWaalsContact CD2-NE2 3.34Å; W261-Q322 HydrophobicContact CE3-CG 4.27Å; W261-Q322 HydrophobicContact CH2-CG 4.04Å; W261-Q322 HydrophobicContact CZ2-CG 3.98Å; W261-Q322 HydrophobicContact CZ3-CG 4.18Å; W261-L325 HydrophobicContact CH2-CD1 3.79Å; W261-L325 HydrophobicContact CZ2-CD1 4.07Å |
| 262 | I | 68.4 | Low | 64 | Low | 13 Ų | 13 | 61.8 Ų | 61.8 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 111.6 | 172.4 | -56.1 | 177.5 | 0 | 0 | 0 | 108.5 | L249 I259 F264 | L249-I262 HydrophobicContact CB-CD1 3.84Å; L249-I262 HydrophobicContact CD1-CD1 4.49Å; L249-I262 HydrophobicContact CD1-CG2 3.87Å; I259-I262 HydrophobicContact CD1-CD1 4.42Å; I259-I262 HydrophobicContact CG2-CD1 4.18Å; I259-I262 HydrophobicContact CG2-CG1 3.65Å; I262-F264 HydrophobicContact CG2-CB 3.82Å; I262-F264 PolarHBondContact O-N 2.9Å |
| 263 | H | 66.3 | Low | 64.3 | Low | 53 Ų | 53 | 60.5 Ų | 60.5 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 89.2 | 169.3 | -161.1 | -75.7 | 0 | 0 | 0 | 108.8 | G271 I272 I318 D321 | H263-G271 WeakPolarHBondContact O-CA 3.4Å; H263-I272 HydrophobicContact CB-CB 4.33Å; H263-I272 PolarHBondContact N-O 3.05Å; H263-I272 PolarHBondContact O-N 3.13Å; H263-I318 HydrophobicContact CB-CD1 4.14Å; H263-I318 HydrophobicContact CB-CG1 3.91Å; H263-D321 IonicContact CD2-OD2 2.67Å; H263-D321 PolarHBondContact CD2-OD2 3.38Å; H263-D321 IonicContact CE1-OD2 2.83Å; H263-D321 IonicContact NE2-OD2 2.62Å; H263-D321 PolarHBondContact NE2-OD2 2.81Å |
| 264 | F | 69.6 | Low | 64.6 | Low | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | trans | -138.3 | 130.3 | 176.7 | -178.8 | -112.8 | 0 | 0 | 0 | 109.8 | F236 L240 R246 I262 A268 | F236-F264 AromaticContact CE2-CD2 3.98Å; F236-F264 HydrophobicContact CE2-CD2 3.98Å; F236-F264 HydrophobicContact CE2-CE2 4.1Å; F236-F264 HydrophobicContact CZ-CB 4.32Å; F236-F264 AromaticContact CZ-CD2 3.69Å; F236-F264 HydrophobicContact CZ-CD2 3.69Å; F236-F264 HydrophobicContact CZ-CE2 4.26Å; F236-F264 HydrophobicContact CZ-CG 4.14Å; L240-F264 HydrophobicContact CD1-CE2 3.78Å; L240-F264 HydrophobicContact CD1-CZ 4.05Å; R246-F264 PolarHBondContact NE-O 3.49Å; R246-F264 PolarHBondContact NH2-O 3.09Å; I262-F264 HydrophobicContact CG2-CB 3.82Å; I262-F264 PolarHBondContact O-N 2.9Å; F264-A268 HydrophobicContact CE2-CB 4.29Å; F264-A268 VanDerWaalsContact CE2-O 3.3Å; F264-A268 WeakPolarHBondContact CE2-O 3.3Å | ||
| 265 | V | 65.9 | Low | 65 | Low | 95 Ų | 95 | 57.4 Ų | 57.4 | 58% | 0.576 | 29% | 0.288 | S | S | * | . | trans | -100.7 | 128.6 | 171.7 | -178.8 | 0 | 0 | 0 | 0 | 107.4 | G267 A268 | V265-G267 PolarHBondContact O-N 2.7Å; V265-A268 HydrophobicContact CB-CB 4.33Å; V265-A268 VanDerWaalsContact O-CB 3.22Å; V265-A268 WeakPolarHBondContact O-CB 3.24Å; V265-A268 PolarHBondContact O-N 3.38Å | ||
| 266 | R | 58.4 | Low | 65.2 | Low | 175 Ų | 175 | 55.6 Ų | 55.6 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 124.9 | -178.7 | -175 | 179 | 178.3 | 179.5 | -0.2 | 110.1 | D242 | D242-R266 VanDerWaalsContact O-CZ 3.24Å; D242-R266 PolarHBondContact O-NE 3.13Å; D242-R266 PolarHBondContact O-NH2 2.94Å |
| 267 | G | 58.5 | Low | 65.4 | Low | 40 Ų | 40 | 58 Ų | 58 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 0.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115 | V265 | V265-G267 PolarHBondContact O-N 2.7Š|
| 268 | A | 65.1 | Low | 65.9 | Low | 30 Ų | 30 | 61.6 Ų | 61.6 | 25% | 0.248 | 30% | 0.302 | C | S | . | . | trans | -79 | 143.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F264 V265 E270 | F264-A268 HydrophobicContact CE2-CB 4.29Å; F264-A268 VanDerWaalsContact CE2-O 3.3Å; F264-A268 WeakPolarHBondContact CE2-O 3.3Å; V265-A268 HydrophobicContact CB-CB 4.33Å; V265-A268 VanDerWaalsContact O-CB 3.22Å; V265-A268 WeakPolarHBondContact O-CB 3.24Å; V265-A268 PolarHBondContact O-N 3.38Å; A268-E270 WeakPolarHBondContact CB-O 3.28Å; A268-E270 PolarHBondContact O-N 3.22Å | ||
| 269 | K | 64.4 | Low | 66.1 | Low | 114 Ų | 114 | 56.1 Ų | 56.1 | 50% | 0.496 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -81.8 | -2.4 | 174.6 | -55.9 | -163.7 | 179.3 | -149.8 | 0 | 113.7 | F237 G238 D239 | F237-K269 WeakPolarHBondContact CA-O 3.44Å; F237-K269 WeakPolarHBondContact CD2-O 3.09Å; F237-K269 HydrophobicContact CE2-CB 4.28Å; G238-K269 PolarHBondContact N-O 3.44Å; G238-K269 WeakPolarHBondContact O-CA 3.45Å; G238-K269 VanDerWaalsContact O-O 3.11Å; D239-K269 VanDerWaalsContact OD1-CE 3.29Å; D239-K269 WeakPolarHBondContact OD1-CE 3.31Å; D239-K269 IonicContact OD1-NZ 3.99Å; D239-K269 PolarHBondContact OD1-NZ 3.04Å |
| 270 | E | 72.6 | Confident | 66.1 | Low | 98 Ų | 98 | 59.2 Ų | 59.2 | 46% | 0.458 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 152.2 | 178.6 | 62.1 | -179.1 | 177.7 | 0 | 0 | 111.2 | K235 F236 F237 A268 | K235-E270 WeakPolarHBondContact CE-OE2 3.35Å; K235-E270 IonicContact NZ-OE2 3.07Å; K235-E270 PolarHBondContact NZ-OE2 3.4Å; F236-E270 VanDerWaalsContact O-CA 3.28Å; F236-E270 WeakPolarHBondContact O-CA 3.23Å; F237-E270 HydrophobicContact CD2-CB 4.15Å; A268-E270 WeakPolarHBondContact CB-O 3.28Å; A268-E270 PolarHBondContact O-N 3.22Å |
| 271 | G | 71.3 | Confident | 65.9 | Low | 4 Ų | 4 | 58 Ų | 58 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 167.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K235 F236 H263 | K235-G271 WeakPolarHBondContact CA-O 3.46Å; F236-G271 VanDerWaalsContact CD1-O 3.29Å; F236-G271 WeakPolarHBondContact CD1-O 3.45Å; F236-G271 PolarHBondContact N-O 3Å; F236-G271 PolarHBondContact O-N 3.04Å; H263-G271 WeakPolarHBondContact O-CA 3.4Å |
| 272 | I | 73.9 | Confident | 65.7 | Low | 30 Ų | 30 | 54.6 Ų | 54.6 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.9 | -177.6 | -55.3 | 178.2 | 0 | 0 | 0 | 109.1 | L233 L234 K235 H263 L306 A314 I318 | L233-I272 HydrophobicContact CB-CG2 4.38Å; L233-I272 HydrophobicContact CD2-CG2 3.89Å; L233-I272 HydrophobicContact CG-CG2 4.15Å; L234-I272 WeakPolarHBondContact O-CA 3.43Å; K235-I272 HydrophobicContact CG-CG1 4.46Å; H263-I272 HydrophobicContact CB-CB 4.33Å; H263-I272 PolarHBondContact N-O 3.05Å; H263-I272 PolarHBondContact O-N 3.13Å; I272-L306 HydrophobicContact CD1-CD1 4.27Å; I272-A314 HydrophobicContact CD1-CB 3.76Å; I272-I318 HydrophobicContact CG2-CD1 4.04Å |
| 273 | I | 68.6 | Low | 65.5 | Low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.1 | 174.8 | -51.8 | 177.1 | 0 | 0 | 0 | 108 | L233 L234 F236 L249 F253 I259 F275 W303 | L233-I273 WeakPolarHBondContact CA-O 3.38Å; L234-I273 PolarHBondContact N-O 3.43Å; L234-I273 PolarHBondContact O-N 3Å; F236-I273 HydrophobicContact CD1-CD1 4.02Å; F236-I273 HydrophobicContact CD1-CG1 3.86Å; F236-I273 HydrophobicContact CE1-CD1 4.1Å; F236-I273 HydrophobicContact CE1-CG1 3.72Å; L249-I273 HydrophobicContact CD2-CD1 4.26Å; F253-I273 HydrophobicContact CD2-CD1 4.23Å; F253-I273 HydrophobicContact CE2-CD1 4Å; I259-I273 HydrophobicContact CD1-CG2 4.45Å; I259-I273 HydrophobicContact CG1-CG2 4.01Å; I259-I273 HydrophobicContact CG2-CG2 3.8Å; I273-F275 HydrophobicContact CB-CE2 3.94Å; I273-F275 HydrophobicContact CB-CZ 4.4Å; I273-F275 HydrophobicContact CG2-CD2 4Å; I273-F275 HydrophobicContact CG2-CE1 4.24Å; I273-F275 HydrophobicContact CG2-CE2 3.55Å; I273-F275 HydrophobicContact CG2-CZ 3.69Å; I273-W303 HydrophobicContact CD1-CZ3 4.03Å |
| 274 | L | 68.2 | Low | 65.4 | Low | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 112.6 | 169.7 | 176.9 | 70 | 0 | 0 | 0 | 108.1 | C232 L233 K260 W261 L315 | C232-L274 HydrophobicContact CB-CD1 4.19Å; L233-L274 HydrophobicContact CD1-CD1 3.43Å; L233-L274 VanDerWaalsContact CD1-CD1 3.43Å; L233-L274 HydrophobicContact CG-CD1 4.23Å; K260-L274 HydrophobicContact CB-CD2 4.36Å; K260-L274 HydrophobicContact CB-CG 4.3Å; K260-L274 WeakPolarHBondContact CB-O 3.21Å; K260-L274 HydrophobicContact CD-CD2 4.28Å; K260-L274 HydrophobicContact CG-CD2 4.32Å; K260-L274 PolarHBondContact N-O 3.2Å; W261-L274 HydrophobicContact CB-CB 4.04Å; W261-L274 HydrophobicContact CB-CD2 4.08Å; W261-L274 PolarHBondContact N-O 3.23Å; W261-L274 VanDerWaalsContact N-O 3.17Å; W261-L274 PolarHBondContact O-N 2.91Å; L274-L315 HydrophobicContact CD1-CD2 3.99Å |
| 275 | F | 67.6 | Low | 65.2 | Low | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 163.4 | 171.5 | -70.5 | -83.7 | 0 | 0 | 0 | 111 | C232 L234 F253 I259 I273 D277 A279 A282 | C232-F275 PolarHBondContact O-N 3.36Å; L234-F275 HydrophobicContact CB-CD2 4.29Å; L234-F275 HydrophobicContact CB-CE2 3.81Å; L234-F275 HydrophobicContact CD2-CE2 3.88Å; L234-F275 HydrophobicContact CD2-CZ 4.42Å; F253-F275 HydrophobicContact CB-CE1 4.16Å; F253-F275 HydrophobicContact CB-CZ 4.41Å; F253-F275 AromaticContact CD1-CE1 3.93Å; F253-F275 HydrophobicContact CD1-CE1 3.93Å; F253-F275 AromaticContact CD1-CZ 3.6Å; F253-F275 HydrophobicContact CD1-CZ 3.6Å; F253-F275 AromaticContact CE1-CZ 3.93Å; F253-F275 HydrophobicContact CE1-CZ 3.93Å; F253-F275 HydrophobicContact CG-CE1 4.17Å; F253-F275 AromaticContact CG-CZ 3.94Å; F253-F275 HydrophobicContact CG-CZ 3.94Å; I259-F275 HydrophobicContact CG1-CD1 4.09Å; I259-F275 HydrophobicContact CG1-CE1 3.65Å; I259-F275 HydrophobicContact CG1-CZ 4.32Å; I273-F275 HydrophobicContact CB-CE2 3.94Å; I273-F275 HydrophobicContact CB-CZ 4.4Å; I273-F275 HydrophobicContact CG2-CD2 4Å; I273-F275 HydrophobicContact CG2-CE1 4.24Å; I273-F275 HydrophobicContact CG2-CE2 3.55Å; I273-F275 HydrophobicContact CG2-CZ 3.69Å; F275-D277 WeakPolarHBondContact CB-O 3.43Å; F275-A279 HydrophobicContact CD2-CB 4.22Å; F275-A282 HydrophobicContact CD1-CB 4.06Å; F275-A282 HydrophobicContact CE1-CB 4.07Å; F275-A282 HydrophobicContact CG-CB 4.31Å; F275-A282 HydrophobicContact CZ-CB 4.35Å |
| 276 | K | 62.9 | Low | 65 | Low | 106 Ų | 106 | 57.3 Ų | 57.3 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -81.8 | -26.3 | 171.2 | -170.7 | 178.1 | 176 | -177 | 0 | 112.3 | E258 | E258-K276 HydrophobicContact CB-CB 4.13Å; E258-K276 HydrophobicContact CB-CD 4.03Å; E258-K276 HydrophobicContact CG-CD 3.99Å; E258-K276 VanDerWaalsContact O-CB 3.25Å; E258-K276 WeakPolarHBondContact O-CB 3.03Å; E258-K276 PolarHBondContact O-N 3.05Å; E258-K276 VanDerWaalsContact OE1-CD 3.29Å; E258-K276 WeakPolarHBondContact OE1-CD 3.41Å; E258-K276 IonicContact OE1-NZ 3.93Å; E258-K276 PolarHBondContact OE1-NZ 2.95Å; E258-K276 VanDerWaalsContact OE2-CD 3.32Å; E258-K276 WeakPolarHBondContact OE2-CD 3.32Å; E258-K276 IonicContact OE2-NZ 2.76Å; E258-K276 PolarHBondContact OE2-NZ 3.1Å |
| 277 | D | 61.2 | Low | 65.2 | Low | 94 Ų | 94 | 53 Ų | 53 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -117 | -176.6 | 179.8 | -51.6 | -58.7 | 0 | 0 | 0 | 110.7 | C232 F275 A279 | C232-D277 PolarHBondContact SG-O 2.91Å; F275-D277 WeakPolarHBondContact CB-O 3.43Å; D277-A279 PolarHBondContact O-N 3.08Å |
| 278 | I | 66.6 | Low | 65.3 | Low | 94 Ų | 94 | 58.4 Ų | 58.4 | 48% | 0.482 | 28% | 0.279 | S | S | . | . | trans | -62.6 | 122.1 | -175.9 | -58.3 | 172.8 | 0 | 0 | 0 | 110.9 | G231 K280 E281 A282 | G231-I278 WeakPolarHBondContact O-CA 3.46Å; I278-K280 VanDerWaalsContact C-N 3.26Å; I278-K280 HydrophobicContact CG2-CB 4.05Å; I278-K280 PolarHBondContact O-N 3.17Å; I278-E281 PolarHBondContact O-N 2.85Å; I278-E281 VanDerWaalsContact O-N 3.14Å; I278-A282 PolarHBondContact O-N 3.35Å | ||
| 279 | A | 61.6 | Low | 65 | Low | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -28 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G231 L234 F275 D277 L283 V305 | G231-A279 PolarHBondContact O-N 3.38Å; L234-A279 HydrophobicContact CB-CB 4.39Å; F275-A279 HydrophobicContact CD2-CB 4.22Å; D277-A279 PolarHBondContact O-N 3.08Å; A279-L283 VanDerWaalsContact O-CB 3.22Å; A279-L283 WeakPolarHBondContact O-CB 3.47Å; A279-L283 PolarHBondContact O-N 2.88Å; A279-V305 HydrophobicContact CB-CG1 4.36Å |
| 280 | K | 63.7 | Low | 64.5 | Low | 86 Ų | 86 | 58.5 Ų | 58.5 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 172.6 | -71.8 | 177.6 | 167.5 | 165.3 | 0 | 111.7 | I278 L283 E284 V305 E307 | I278-K280 VanDerWaalsContact C-N 3.26Å; I278-K280 HydrophobicContact CG2-CB 4.05Å; I278-K280 PolarHBondContact O-N 3.17Å; K280-L283 PolarHBondContact O-N 3.39Å; K280-E284 WeakPolarHBondContact O-CG 3.43Å; K280-E284 PolarHBondContact O-N 2.97Å; K280-V305 HydrophobicContact CG-CB 4.42Å; K280-V305 HydrophobicContact CG-CG1 4.03Å; K280-V305 HydrophobicContact CG-CG2 3.99Å; K280-E307 VanDerWaalsContact CE-OE1 3.25Å; K280-E307 WeakPolarHBondContact CE-OE1 3.34Å; K280-E307 WeakPolarHBondContact CE-OE2 3.39Å; K280-E307 IonicContact NZ-OE1 2.91Å; K280-E307 PolarHBondContact NZ-OE1 2.91Å; K280-E307 IonicContact NZ-OE2 2.64Å; K280-E307 PolarHBondContact NZ-OE2 2.64Å |
| 281 | E | 64 | Low | 63.1 | Low | 91 Ų | 91 | 61.5 Ų | 61.5 | 43% | 0.425 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.2 | -39 | -176.6 | -166.7 | -174.3 | 156.4 | 0 | 0 | 111.9 | I278 L283 E284 K285 | I278-E281 PolarHBondContact O-N 2.85Å; I278-E281 VanDerWaalsContact O-N 3.14Å; E281-L283 VanDerWaalsContact C-N 3.34Å; E281-E284 PolarHBondContact O-N 2.97Å; E281-K285 WeakPolarHBondContact O-CG 3.42Å; E281-K285 PolarHBondContact O-N 3.07Å; E281-K285 VanDerWaalsContact O-N 3.09Å; E281-K285 WeakPolarHBondContact OE1-CE 3.38Å; E281-K285 IonicContact OE1-NZ 2.71Å; E281-K285 PolarHBondContact OE1-NZ 3.14Å |
| 282 | A | 61.3 | Low | 61.9 | Low | 6 Ų | 6 | 64 Ų | 64 | 5% | 0.05 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F275 I278 A286 | F275-A282 HydrophobicContact CD1-CB 4.06Å; F275-A282 HydrophobicContact CE1-CB 4.07Å; F275-A282 HydrophobicContact CG-CB 4.31Å; F275-A282 HydrophobicContact CZ-CB 4.35Å; I278-A282 PolarHBondContact O-N 3.35Å; A282-A286 VanDerWaalsContact O-CB 3.25Å; A282-A286 WeakPolarHBondContact O-CB 3.43Å; A282-A286 PolarHBondContact O-N 2.94Å; A282-A286 VanDerWaalsContact O-N 3.08Å |
| 283 | L | 63.9 | Low | 60.5 | Low | 16 Ų | 16 | 66.4 Ų | 66.4 | 8% | 0.084 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 176.5 | 171.5 | 143.4 | 0 | 0 | 0 | 112.7 | L234 A279 K280 E281 K287 W303 V305 | L234-L283 HydrophobicContact CD1-CB 4.49Å; L234-L283 HydrophobicContact CD1-CD1 3.38Å; L234-L283 HydrophobicContact CD2-CB 4.5Å; L234-L283 HydrophobicContact CD2-CD1 4.23Å; L234-L283 HydrophobicContact CG-CD1 4.46Å; A279-L283 VanDerWaalsContact O-CB 3.22Å; A279-L283 WeakPolarHBondContact O-CB 3.47Å; A279-L283 PolarHBondContact O-N 2.88Å; K280-L283 PolarHBondContact O-N 3.39Å; E281-L283 VanDerWaalsContact C-N 3.34Å; L283-K287 HydrophobicContact CD2-CD 3.86Å; L283-K287 HydrophobicContact CG-CD 4.29Å; L283-K287 WeakPolarHBondContact O-CB 3.42Å; L283-K287 VanDerWaalsContact O-CG 3.3Å; L283-K287 WeakPolarHBondContact O-CG 3.45Å; L283-K287 PolarHBondContact O-N 2.88Å; L283-W303 HydrophobicContact CD1-CB 3.59Å; L283-V305 HydrophobicContact CD1-CG2 4.26Å |
| 284 | E | 63.9 | Low | 59.9 | Low | 120 Ų | 120 | 66.8 Ų | 66.8 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.5 | -50.3 | 175.3 | -76.6 | 177.8 | 162.7 | 0 | 0 | 110.9 | K280 E281 A286 K287 E288 | K280-E284 WeakPolarHBondContact O-CG 3.43Å; K280-E284 PolarHBondContact O-N 2.97Å; E281-E284 PolarHBondContact O-N 2.97Å; E284-A286 VanDerWaalsContact C-N 3.31Å; E284-A286 PolarHBondContact O-N 3.49Å; E284-K287 PolarHBondContact O-N 3.32Å; E284-E288 WeakPolarHBondContact O-CG 3.29Å; E284-E288 PolarHBondContact O-N 2.72Å |
| 285 | K | 65.6 | Low | 59.2 | Low | 87 Ų | 87 | 70 Ų | 70 | 38% | 0.378 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.4 | -42.2 | 176.1 | -70.5 | 171 | -173.4 | 167.5 | 0 | 112.8 | H256 E281 E288 A289 | H256-K285 HydrophobicContact CB-CB 4.28Å; E281-K285 WeakPolarHBondContact O-CG 3.42Å; E281-K285 PolarHBondContact O-N 3.07Å; E281-K285 VanDerWaalsContact O-N 3.09Å; E281-K285 WeakPolarHBondContact OE1-CE 3.38Å; E281-K285 IonicContact OE1-NZ 2.71Å; E281-K285 PolarHBondContact OE1-NZ 3.14Å; K285-E288 PolarHBondContact O-N 3.06Å; K285-A289 WeakPolarHBondContact O-CB 3.45Å; K285-A289 PolarHBondContact O-N 3.05Å |
| 286 | A | 61.8 | Low | 58.6 | Low | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.1 | -32.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F253 H256 A282 E284 H290 L294 | F253-A286 HydrophobicContact CD1-CB 4.11Å; F253-A286 HydrophobicContact CE1-CB 3.69Å; H256-A286 HydrophobicContact CB-CB 4.25Å; A282-A286 VanDerWaalsContact O-CB 3.25Å; A282-A286 WeakPolarHBondContact O-CB 3.43Å; A282-A286 PolarHBondContact O-N 2.94Å; A282-A286 VanDerWaalsContact O-N 3.08Å; E284-A286 VanDerWaalsContact C-N 3.31Å; E284-A286 PolarHBondContact O-N 3.49Å; A286-H290 PolarHBondContact O-N 3.49Å; A286-L294 HydrophobicContact CB-CD1 3.86Å; A286-L294 HydrophobicContact CB-CD2 4.03Å; A286-L294 HydrophobicContact CB-CG 4.47Å |
| 287 | K | 63.5 | Low | 58 | Low | 86 Ų | 86 | 71.2 Ų | 71.2 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.9 | -38.7 | 173.2 | -78.8 | 179.7 | 178.6 | -176.7 | 0 | 112.6 | L283 E284 H290 N291 G292 L294 | L283-K287 HydrophobicContact CD2-CD 3.86Å; L283-K287 HydrophobicContact CG-CD 4.29Å; L283-K287 WeakPolarHBondContact O-CB 3.42Å; L283-K287 VanDerWaalsContact O-CG 3.3Å; L283-K287 WeakPolarHBondContact O-CG 3.45Å; L283-K287 PolarHBondContact O-N 2.88Å; E284-K287 PolarHBondContact O-N 3.32Å; K287-H290 CarbonylContact O-C 3.55Å; K287-N291 PolarHBondContact O-N 3.17Å; K287-N291 VanDerWaalsContact O-N 3.1Å; K287-G292 PolarHBondContact O-N 2.88Å; K287-L294 HydrophobicContact CG-CD1 3.8Å |
| 288 | E | 60.5 | Low | 57.6 | Low | 153 Ų | 153 | 73.6 Ų | 73.6 | 72% | 0.715 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.7 | -45.6 | 175.3 | -71.9 | 179.4 | 164.9 | 0 | 0 | 111.2 | E284 K285 H290 N291 | E284-E288 WeakPolarHBondContact O-CG 3.29Å; E284-E288 PolarHBondContact O-N 2.72Å; K285-E288 PolarHBondContact O-N 3.06Å; E288-H290 VanDerWaalsContact C-N 3.34Å; E288-H290 PolarHBondContact O-N 3.37Å; E288-N291 PolarHBondContact O-N 2.88Å |
| 289 | A | 57.9 | Low | 57.1 | Low | 58 Ų | 58 | 72.2 Ų | 72.2 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -34 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H256 K285 | H256-A289 WeakPolarHBondContact CE1-CB 3.32Å; H256-A289 VanDerWaalsContact NE2-CB 3.27Å; H256-A289 WeakPolarHBondContact NE2-CB 3.24Å; K285-A289 WeakPolarHBondContact O-CB 3.45Å; K285-A289 PolarHBondContact O-N 3.05Å |
| 290 | H | 53.1 | Low | 56.8 | Low | 88 Ų | 88 | 77 Ų | 77 | 41% | 0.407 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 21.3 | 177.9 | -72.9 | -73.3 | 0 | 0 | 0 | 114.3 | A286 K287 E288 G292 N293 L294 | A286-H290 PolarHBondContact O-N 3.49Å; K287-H290 CarbonylContact O-C 3.55Å; E288-H290 VanDerWaalsContact C-N 3.34Å; E288-H290 PolarHBondContact O-N 3.37Å; H290-G292 PolarHBondContact O-N 2.54Å; H290-G292 VanDerWaalsContact O-N 3.08Å; H290-N293 PolarHBondContact O-N 2.64Å; H290-N293 VanDerWaalsContact O-N 3.09Å; H290-L294 HydrophobicContact CB-CD2 4.33Å; H290-L294 HydrophobicContact CB-CG 4.27Å |
| 291 | N | 43.4 | Very low | 56.8 | Low | 161 Ų | 161 | 73.4 Ų | 73.4 | 86% | 0.861 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38.4 | 171.1 | -148.7 | 33.5 | 0 | 0 | 0 | 113.9 | K287 E288 | K287-N291 PolarHBondContact O-N 3.17Å; K287-N291 VanDerWaalsContact O-N 3.1Å; E288-N291 PolarHBondContact O-N 2.88Å |
| 292 | G | 47.7 | Very low | 56.8 | Low | 57 Ų | 57 | 73.7 Ų | 73.7 | 59% | 0.588 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -9.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | K287 H290 | K287-G292 PolarHBondContact O-N 2.88Å; H290-G292 PolarHBondContact O-N 2.54Å; H290-G292 VanDerWaalsContact O-N 3.08Å |
| 293 | N | 44.3 | Very low | 57 | Low | 80 Ų | 80 | 74.6 Ų | 74.6 | 43% | 0.428 | 39% | 0.387 | S | S | . | . | trans | -129.4 | 89.8 | -179.3 | -153.2 | 22.6 | 0 | 0 | 0 | 113.7 | H290 Q295 D300 | H290-N293 PolarHBondContact O-N 2.64Å; H290-N293 VanDerWaalsContact O-N 3.09Å; N293-Q295 PolarHBondContact ND2-NE2 2.78Å; N293-Q295 PolarHBondContact O-N 2.83Å; N293-D300 PolarHBondContact ND2-OD1 3Å; N293-D300 PolarHBondContact OD1-OD1 3.19Å | ||
| 294 | L | 56 | Low | 57.2 | Low | 7 Ų | 7 | 79.4 Ų | 79.4 | 4% | 0.037 | 41% | 0.409 | C | S | . | . | trans | -74.1 | 88.5 | 174.4 | -88 | 157.6 | 0 | 0 | 0 | 110.9 | V252 A286 K287 H290 W303 | V252-L294 HydrophobicContact CG1-CD2 3.64Å; A286-L294 HydrophobicContact CB-CD1 3.86Å; A286-L294 HydrophobicContact CB-CD2 4.03Å; A286-L294 HydrophobicContact CB-CG 4.47Å; K287-L294 HydrophobicContact CG-CD1 3.8Å; H290-L294 HydrophobicContact CB-CD2 4.33Å; H290-L294 HydrophobicContact CB-CG 4.27Å; L294-W303 HydrophobicContact CB-CZ2 4.2Å; L294-W303 PolarHBondContact O-NE1 3.13Å | ||
| 295 | Q | 52.3 | Low | 57.3 | Low | 77 Ų | 77 | 75.3 Ų | 75.3 | 36% | 0.36 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.3 | 176.1 | -64.2 | -173.1 | -30 | 0 | 0 | 111.9 | N293 K299 D300 | N293-Q295 PolarHBondContact ND2-NE2 2.78Å; N293-Q295 PolarHBondContact O-N 2.83Å; Q295-K299 CarbonylContact C-O 3.58Å; Q295-K299 WeakPolarHBondContact CA-O 3.28Å; Q295-K299 WeakPolarHBondContact CB-O 3.45Å; Q295-D300 PolarHBondContact NE2-OD1 3.25Å |
| 296 | L | 54.8 | Low | 57 | Low | 7 Ų | 7 | 72.2 Ų | 72.2 | 4% | 0.037 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 120.1 | 161.8 | -97.6 | 100.7 | 0 | 0 | 0 | 109.1 | L240 T244 D248 L249 N298 K299 V301 W303 | L240-L296 HydrophobicContact CD2-CB 4.38Å; T244-L296 HydrophobicContact CG2-CD2 3.51Å; D248-L296 HydrophobicContact CB-CD2 4.14Å; L249-L296 HydrophobicContact CD2-CD1 3.83Å; L249-L296 HydrophobicContact CD2-CD2 3.73Å; L249-L296 HydrophobicContact CD2-CG 4.41Å; L249-L296 HydrophobicContact CG-CD2 4Å; L296-N298 VanDerWaalsContact C-N 3.26Å; L296-N298 PolarHBondContact O-N 3.26Å; L296-K299 PolarHBondContact N-O 2.96Å; L296-K299 PolarHBondContact O-N 2.69Å; L296-V301 HydrophobicContact CB-CG2 4.08Å; L296-V301 HydrophobicContact CD1-CG2 4.12Å; L296-W303 HydrophobicContact CD1-CH2 3.55Å; L296-W303 HydrophobicContact CD1-CZ2 3.62Å |
| 297 | R | 51.2 | Low | 56.9 | Low | 128 Ų | 128 | 77.5 Ų | 77.5 | 48% | 0.483 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 49.4 | 179.6 | -64.1 | -170.1 | 177.7 | -173.6 | 7 | 113 | Q243 D248 K299 | Q243-R297 PolarHBondContact O-NH1 3.46Å; D248-R297 VanDerWaalsContact CG-NH2 3.33Å; D248-R297 IonicContact OD1-CZ 2.73Å; D248-R297 VanDerWaalsContact OD1-CZ 3.29Å; D248-R297 IonicContact OD1-NE 2.69Å; D248-R297 PolarHBondContact OD1-NE 2.9Å; D248-R297 IonicContact OD1-NH2 3.13Å; D248-R297 PolarHBondContact OD1-NH2 3.28Å; D248-R297 IonicContact OD2-CZ 3.17Å; D248-R297 IonicContact OD2-NE 2.62Å; D248-R297 IonicContact OD2-NH2 3.29Å; D248-R297 PolarHBondContact OD2-NH2 3.36Å; R297-K299 VanDerWaalsContact C-N 3.3Å; R297-K299 PolarHBondContact O-N 3.04Å |
| 298 | N | 51.5 | Low | 56.8 | Low | 143 Ų | 143 | 75.2 Ų | 75.2 | 77% | 0.765 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 19.2 | 177.9 | -46 | -28.3 | 0 | 0 | 0 | 115.7 | L296 | L296-N298 VanDerWaalsContact C-N 3.26Å; L296-N298 PolarHBondContact O-N 3.26Å |
| 299 | K | 57.9 | Low | 56.6 | Low | 65 Ų | 65 | 73.6 Ų | 73.6 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.2 | 167.5 | -63.4 | -166.9 | -175.2 | -172.9 | 0 | 110.9 | D239 D241 Q295 L296 R297 V301 | D239-K299 WeakPolarHBondContact O-CD 3.49Å; D239-K299 WeakPolarHBondContact O-CE 3.25Å; D239-K299 PolarHBondContact O-NZ 3.47Å; D241-K299 IonicContact OD1-NZ 2.73Å; D241-K299 PolarHBondContact OD1-NZ 3.04Å; D241-K299 WeakPolarHBondContact OD2-CE 3.4Å; D241-K299 IonicContact OD2-NZ 2.64Å; D241-K299 PolarHBondContact OD2-NZ 3.27Å; Q295-K299 CarbonylContact C-O 3.58Å; Q295-K299 WeakPolarHBondContact CA-O 3.28Å; Q295-K299 WeakPolarHBondContact CB-O 3.45Å; L296-K299 PolarHBondContact N-O 2.96Å; L296-K299 PolarHBondContact O-N 2.69Å; R297-K299 VanDerWaalsContact C-N 3.3Å; R297-K299 PolarHBondContact O-N 3.04Å; K299-V301 PolarHBondContact O-N 3.17Å |
| 300 | D | 55.2 | Low | 56.8 | Low | 100 Ų | 100 | 73.5 Ų | 73.5 | 54% | 0.535 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129.4 | 175.7 | -55.7 | -47.3 | 0 | 0 | 0 | 110.6 | N293 Q295 | N293-D300 PolarHBondContact ND2-OD1 3Å; N293-D300 PolarHBondContact OD1-OD1 3.19Å; Q295-D300 PolarHBondContact NE2-OD1 3.25Å |
| 301 | V | 62.5 | Low | 57.4 | Low | 11 Ų | 11 | 69.5 Ų | 69.5 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | trans | -119.1 | 131.7 | 178 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | F236 L240 L296 K299 W303 | F236-V301 HydrophobicContact CB-CG1 3.83Å; F236-V301 HydrophobicContact CD2-CG1 4.4Å; L240-V301 HydrophobicContact CD2-CG2 4.27Å; L296-V301 HydrophobicContact CB-CG2 4.08Å; L296-V301 HydrophobicContact CD1-CG2 4.12Å; K299-V301 PolarHBondContact O-N 3.17Å; V301-W303 HydrophobicContact CB-CZ2 3.9Å; V301-W303 HydrophobicContact CG1-CD2 4.09Å; V301-W303 HydrophobicContact CG1-CH2 4.16Å; V301-W303 HydrophobicContact CG1-CZ2 3.64Å; V301-W303 PolarHBondContact O-NE1 3.24Å; V301-W303 VanDerWaalsContact O-NE1 3.09Å | ||
| 302 | T | 63.8 | Low | 58.3 | Low | 97 Ų | 97 | 67 Ų | 67 | 60% | 0.595 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 126.8 | 173.7 | -55.9 | 0 | 0 | 0 | 0 | 109.2 | F236 F237 | F236-T302 WeakPolarHBondContact CA-O 3.46Å; F237-T302 PolarHBondContact N-O 2.91Å; F237-T302 PolarHBondContact O-N 3.18Å |
| 303 | W | 65.6 | Low | 59.2 | Low | 26 Ų | 26 | 69.6 Ų | 69.6 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.1 | -177.8 | -53.9 | 88 | 0 | 0 | 0 | 109.9 | L234 F236 L249 F253 I273 L283 L294 L296 V301 | L234-W303 HydrophobicContact CD1-CB 4.31Å; L234-W303 HydrophobicContact CD2-CE3 3.62Å; L234-W303 HydrophobicContact CD2-CZ3 4.23Å; L234-W303 HydrophobicContact CG-CE3 4.16Å; F236-W303 HydrophobicContact CB-CD2 4.25Å; F236-W303 HydrophobicContact CB-CE3 3.56Å; F236-W303 HydrophobicContact CB-CH2 4.22Å; F236-W303 HydrophobicContact CB-CZ3 3.54Å; F236-W303 HydrophobicContact CD1-CZ3 4.2Å; F236-W303 HydrophobicContact CG-CE3 4.49Å; F236-W303 HydrophobicContact CG-CZ3 4.01Å; L249-W303 HydrophobicContact CD2-CH2 4.4Å; F253-W303 HydrophobicContact CE2-CE3 4.4Å; F253-W303 AromaticContact CE2-CH2 3.49Å; F253-W303 HydrophobicContact CE2-CH2 3.49Å; F253-W303 VanDerWaalsContact CE2-CH2 3.49Å; F253-W303 HydrophobicContact CE2-CZ2 4.29Å; F253-W303 AromaticContact CE2-CZ3 3.54Å; F253-W303 HydrophobicContact CE2-CZ3 3.54Å; F253-W303 AromaticContact CZ-CE3 3.98Å; F253-W303 HydrophobicContact CZ-CE3 3.98Å; F253-W303 AromaticContact CZ-CH2 3.78Å; F253-W303 HydrophobicContact CZ-CH2 3.78Å; F253-W303 HydrophobicContact CZ-CZ2 4.33Å; F253-W303 AromaticContact CZ-CZ3 3.58Å; F253-W303 HydrophobicContact CZ-CZ3 3.58Å; I273-W303 HydrophobicContact CD1-CZ3 4.03Å; L283-W303 HydrophobicContact CD1-CB 3.59Å; L294-W303 HydrophobicContact CB-CZ2 4.2Å; L294-W303 PolarHBondContact O-NE1 3.13Å; L296-W303 HydrophobicContact CD1-CH2 3.55Å; L296-W303 HydrophobicContact CD1-CZ2 3.62Å; V301-W303 HydrophobicContact CB-CZ2 3.9Å; V301-W303 HydrophobicContact CG1-CD2 4.09Å; V301-W303 HydrophobicContact CG1-CH2 4.16Å; V301-W303 HydrophobicContact CG1-CZ2 3.64Å; V301-W303 PolarHBondContact O-NE1 3.24Å; V301-W303 VanDerWaalsContact O-NE1 3.09Å |
| 304 | E | 67.7 | Low | 60.2 | Low | 116 Ų | 116 | 66.3 Ų | 66.3 | 54% | 0.542 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.9 | -175.8 | -177.4 | 178.6 | -156.4 | 0 | 0 | 109.6 | K235 L306 | K235-E304 PolarHBondContact N-O 3.48Å; K235-E304 PolarHBondContact O-N 2.93Å; E304-L306 PolarHBondContact O-N 3.16Å |
| 305 | V | 67 | Low | 60.8 | Low | 34 Ų | 34 | 66.3 Ų | 66.3 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123.6 | 173.6 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | L234 A279 K280 L283 E307 | L234-V305 HydrophobicContact CD1-CG2 3.86Å; A279-V305 HydrophobicContact CB-CG1 4.36Å; K280-V305 HydrophobicContact CG-CB 4.42Å; K280-V305 HydrophobicContact CG-CG1 4.03Å; K280-V305 HydrophobicContact CG-CG2 3.99Å; L283-V305 HydrophobicContact CD1-CG2 4.26Å; V305-E307 HydrophobicContact CG1-CG 4.04Å |
| 306 | L | 60.2 | Low | 61.5 | Low | 22 Ų | 22 | 68.2 Ų | 68.2 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 124.6 | 175 | -69.9 | 175.4 | 0 | 0 | 0 | 109.2 | L233 K235 I272 E304 A310 E311 A314 | L233-L306 HydrophobicContact CB-CB 4.24Å; L233-L306 PolarHBondContact O-N 2.8Å; L233-L306 VanDerWaalsContact O-N 3.1Å; K235-L306 HydrophobicContact CB-CD1 3.98Å; K235-L306 HydrophobicContact CB-CD2 4.31Å; K235-L306 HydrophobicContact CB-CG 3.89Å; K235-L306 HydrophobicContact CD-CD2 4.45Å; I272-L306 HydrophobicContact CD1-CD1 4.27Å; E304-L306 PolarHBondContact O-N 3.16Å; L306-A310 HydrophobicContact CD2-CB 4.35Å; L306-E311 HydrophobicContact CB-CB 4.2Å; L306-A314 HydrophobicContact CD1-CB 4.2Å |
| 307 | E | 57.9 | Low | 62.3 | Low | 112 Ų | 112 | 73 Ų | 73 | 52% | 0.523 | 37% | 0.372 | S | S | . | . | trans | -125.3 | 149.5 | 174.7 | -57.1 | -162.7 | 113 | 0 | 0 | 110.7 | K280 V305 | K280-E307 VanDerWaalsContact CE-OE1 3.25Å; K280-E307 WeakPolarHBondContact CE-OE1 3.34Å; K280-E307 WeakPolarHBondContact CE-OE2 3.39Å; K280-E307 IonicContact NZ-OE1 2.91Å; K280-E307 PolarHBondContact NZ-OE1 2.91Å; K280-E307 IonicContact NZ-OE2 2.64Å; K280-E307 PolarHBondContact NZ-OE2 2.64Å; V305-E307 HydrophobicContact CG1-CG 4.04Å | ||
| 308 | G | 62.7 | Low | 63.2 | Low | 37 Ų | 37 | 67.2 Ų | 67.2 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -137.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A310 E311 K312 | G308-A310 PolarHBondContact O-N 3.33Å; G308-E311 WeakPolarHBondContact O-CB 3.49Å; G308-E311 PolarHBondContact O-N 3.1Å; G308-K312 WeakPolarHBondContact O-CG 3.47Å; G308-K312 PolarHBondContact O-N 3.23Å; G308-K312 VanDerWaalsContact O-N 3.13Å |
| 309 | D | 56.3 | Low | 63.9 | Low | 119 Ų | 119 | 62.2 Ų | 62.2 | 64% | 0.636 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -74.1 | -28.2 | -168.4 | -64.4 | -36.5 | 0 | 0 | 0 | 113.7 | E311 K312 E313 | D309-E311 VanDerWaalsContact C-N 3.33Å; D309-K312 PolarHBondContact O-N 3.4Å; D309-K312 IonicContact OD1-NZ 2.62Å; D309-K312 PolarHBondContact OD1-NZ 2.98Å; D309-E313 PolarHBondContact O-N 3.03Å |
| 310 | A | 62.3 | Low | 64.4 | Low | 57 Ų | 57 | 64.1 Ų | 64.1 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.9 | -36 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L306 G308 A314 | L306-A310 HydrophobicContact CD2-CB 4.35Å; G308-A310 PolarHBondContact O-N 3.33Å; A310-A314 WeakPolarHBondContact O-CB 3.29Å; A310-A314 PolarHBondContact O-N 3.45Å; A310-A314 VanDerWaalsContact O-N 3.09Å |
| 311 | E | 64.6 | Low | 65.1 | Low | 3 Ų | 3 | 62.5 Ų | 62.5 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 173.2 | -173.9 | 177.9 | -154.9 | 0 | 0 | 111.1 | T230 G231 C232 L233 L306 G308 D309 E313 A314 L315 | T230-E311 WeakPolarHBondContact CA-OE2 3.42Å; T230-E311 WeakPolarHBondContact CB-OE2 3.5Å; G231-E311 WeakPolarHBondContact CA-OE1 3.37Å; G231-E311 PolarHBondContact N-OE1 3.36Å; G231-E311 PolarHBondContact N-OE2 3.12Å; C232-E311 PolarHBondContact N-OE1 3.49Å; L233-E311 HydrophobicContact CB-CG 4.06Å; L233-E311 HydrophobicContact CD1-CG 3.9Å; L233-E311 HydrophobicContact CD2-CG 4.1Å; L233-E311 HydrophobicContact CG-CG 4.23Å; L233-E311 PolarHBondContact N-OE1 3.02Å; L306-E311 HydrophobicContact CB-CB 4.2Å; G308-E311 WeakPolarHBondContact O-CB 3.49Å; G308-E311 PolarHBondContact O-N 3.1Å; D309-E311 VanDerWaalsContact C-N 3.33Å; E311-E313 PolarHBondContact O-N 2.98Å; E311-A314 PolarHBondContact O-N 3.4Å; E311-L315 HydrophobicContact CG-CD1 4.09Å; E311-L315 VanDerWaalsContact O-CB 3.32Å; E311-L315 WeakPolarHBondContact O-CB 3.38Å; E311-L315 PolarHBondContact O-N 3.16Å |
| 312 | K | 63 | Low | 65.2 | Low | 110 Ų | 110 | 64.8 Ų | 64.8 | 48% | 0.478 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 177.7 | -65.7 | 172.5 | -163.8 | 160.2 | 0 | 112.4 | G308 D309 K316 | G308-K312 WeakPolarHBondContact O-CG 3.47Å; G308-K312 PolarHBondContact O-N 3.23Å; G308-K312 VanDerWaalsContact O-N 3.13Å; D309-K312 PolarHBondContact O-N 3.4Å; D309-K312 IonicContact OD1-NZ 2.62Å; D309-K312 PolarHBondContact OD1-NZ 2.98Å; K312-K316 VanDerWaalsContact O-CB 3.31Å; K312-K316 WeakPolarHBondContact O-CB 3.3Å; K312-K316 PolarHBondContact O-N 3.12Å |
| 313 | E | 65.4 | Low | 65.2 | Low | 110 Ų | 110 | 62.9 Ų | 62.9 | 51% | 0.514 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.1 | -40.4 | 177.8 | -159.2 | -166.8 | 142.5 | 0 | 0 | 112 | D309 E311 K316 K317 | D309-E313 PolarHBondContact O-N 3.03Å; E311-E313 PolarHBondContact O-N 2.98Å; E313-K316 PolarHBondContact O-N 3.49Å; E313-K317 PolarHBondContact O-N 3.29Å; E313-K317 VanDerWaalsContact O-N 3.08Å; E313-K317 WeakPolarHBondContact OE1-CE 3.47Å; E313-K317 IonicContact OE1-NZ 3.89Å; E313-K317 PolarHBondContact OE1-NZ 3.32Å |
| 314 | A | 67.1 | Low | 65.3 | Low | 11 Ų | 11 | 66.5 Ų | 66.5 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -46.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L233 I272 L306 A310 E311 K316 K317 I318 | L233-A314 HydrophobicContact CD2-CB 3.53Å; I272-A314 HydrophobicContact CD1-CB 3.76Å; L306-A314 HydrophobicContact CD1-CB 4.2Å; A310-A314 WeakPolarHBondContact O-CB 3.29Å; A310-A314 PolarHBondContact O-N 3.45Å; A310-A314 VanDerWaalsContact O-N 3.09Å; E311-A314 PolarHBondContact O-N 3.4Å; A314-K316 VanDerWaalsContact C-N 3.31Å; A314-K316 PolarHBondContact O-N 3.12Å; A314-K317 PolarHBondContact O-N 3.4Å; A314-I318 WeakPolarHBondContact O-CG1 3.44Å; A314-I318 PolarHBondContact O-N 3.06Å |
| 315 | L | 66.8 | Low | 65.2 | Low | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.8 | -44.6 | 172.8 | -88.9 | 170 | 0 | 0 | 0 | 111.9 | L226 L233 L274 E311 I318 L319 | L226-L315 HydrophobicContact CD2-CB 4.12Å; L226-L315 HydrophobicContact CD2-CD2 4.46Å; L233-L315 HydrophobicContact CD1-CD1 4.02Å; L233-L315 HydrophobicContact CD1-CD2 3.6Å; L233-L315 HydrophobicContact CD1-CG 3.52Å; L233-L315 HydrophobicContact CD2-CG 4Å; L233-L315 HydrophobicContact CG-CG 4.44Å; L274-L315 HydrophobicContact CD1-CD2 3.99Å; E311-L315 HydrophobicContact CG-CD1 4.09Å; E311-L315 VanDerWaalsContact O-CB 3.32Å; E311-L315 WeakPolarHBondContact O-CB 3.38Å; E311-L315 PolarHBondContact O-N 3.16Å; L315-I318 PolarHBondContact O-N 3.25Å; L315-L319 WeakPolarHBondContact O-CB 3.31Å; L315-L319 PolarHBondContact O-N 2.81Å |
| 316 | K | 68.3 | Low | 64.8 | Low | 117 Ų | 117 | 68.5 Ų | 68.5 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 178.7 | -176.4 | 179.3 | 173.2 | -175 | 0 | 111.7 | K312 E313 A314 L319 E320 | K312-K316 VanDerWaalsContact O-CB 3.31Å; K312-K316 WeakPolarHBondContact O-CB 3.3Å; K312-K316 PolarHBondContact O-N 3.12Å; E313-K316 PolarHBondContact O-N 3.49Å; A314-K316 VanDerWaalsContact C-N 3.31Å; A314-K316 PolarHBondContact O-N 3.12Å; K316-L319 PolarHBondContact O-N 3.03Å; K316-E320 WeakPolarHBondContact CE-OE1 3.43Å; K316-E320 WeakPolarHBondContact O-CB 3.29Å; K316-E320 WeakPolarHBondContact O-CG 3.31Å; K316-E320 PolarHBondContact O-N 3.17Å |
| 317 | K | 71.4 | Confident | 64.9 | Low | 109 Ų | 109 | 72.4 Ų | 72.4 | 47% | 0.474 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 175.8 | -71.9 | 171 | -173.6 | 164.7 | 0 | 111.8 | E313 A314 L319 E320 D321 | E313-K317 PolarHBondContact O-N 3.29Å; E313-K317 VanDerWaalsContact O-N 3.08Å; E313-K317 WeakPolarHBondContact OE1-CE 3.47Å; E313-K317 IonicContact OE1-NZ 3.89Å; E313-K317 PolarHBondContact OE1-NZ 3.32Å; A314-K317 PolarHBondContact O-N 3.4Å; K317-L319 VanDerWaalsContact C-N 3.32Å; K317-L319 PolarHBondContact O-N 3.17Å; K317-E320 PolarHBondContact O-N 2.87Å; K317-D321 PolarHBondContact O-N 3.43Å |
| 318 | I | 69.3 | Low | 65 | Low | 5 Ų | 5 | 72.1 Ų | 72.1 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 176.4 | -70.9 | 168.3 | 0 | 0 | 0 | 111.7 | L233 W261 H263 I272 A314 L315 Q322 | L233-I318 HydrophobicContact CD2-CD1 4.31Å; W261-I318 HydrophobicContact CG-CG2 4.12Å; H263-I318 HydrophobicContact CB-CD1 4.14Å; H263-I318 HydrophobicContact CB-CG1 3.91Å; I272-I318 HydrophobicContact CG2-CD1 4.04Å; A314-I318 WeakPolarHBondContact O-CG1 3.44Å; A314-I318 PolarHBondContact O-N 3.06Å; L315-I318 PolarHBondContact O-N 3.25Å; I318-Q322 WeakPolarHBondContact O-CG 3.45Å; I318-Q322 PolarHBondContact O-N 3.43Å |
| 319 | L | 67.9 | Low | 64.7 | Low | 39 Ų | 39 | 78 Ų | 78 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.3 | -40.8 | 179.1 | -163.2 | 85.3 | 0 | 0 | 0 | 112.2 | E222 L226 L315 K316 K317 Q322 Q323 | E222-L319 HydrophobicContact CG-CD2 3.71Å; E222-L319 WeakPolarHBondContact OE1-CD2 3.45Å; L226-L319 HydrophobicContact CD1-CD2 3.9Å; L226-L319 HydrophobicContact CD2-CB 4.34Å; L226-L319 HydrophobicContact CD2-CD1 4.29Å; L226-L319 HydrophobicContact CD2-CD2 4.02Å; L226-L319 HydrophobicContact CD2-CG 4.46Å; L226-L319 HydrophobicContact CG-CD2 4.14Å; L315-L319 WeakPolarHBondContact O-CB 3.31Å; L315-L319 PolarHBondContact O-N 2.81Å; K316-L319 PolarHBondContact O-N 3.03Å; K317-L319 VanDerWaalsContact C-N 3.32Å; K317-L319 PolarHBondContact O-N 3.17Å; L319-Q322 PolarHBondContact O-N 2.76Å; L319-Q323 WeakPolarHBondContact O-CB 3.45Å; L319-Q323 WeakPolarHBondContact O-CG 3.49Å; L319-Q323 PolarHBondContact O-N 2.93Å |
| 320 | E | 67.6 | Low | 64.5 | Low | 104 Ų | 104 | 76.1 Ų | 76.1 | 49% | 0.486 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.2 | -76.7 | 177.1 | -177.4 | 0 | 0 | 111.1 | K316 K317 Q323 E324 | K316-E320 WeakPolarHBondContact CE-OE1 3.43Å; K316-E320 WeakPolarHBondContact O-CB 3.29Å; K316-E320 WeakPolarHBondContact O-CG 3.31Å; K316-E320 PolarHBondContact O-N 3.17Å; K317-E320 PolarHBondContact O-N 2.87Å; E320-Q323 PolarHBondContact O-N 2.72Å; E320-E324 PolarHBondContact O-N 3Å |
| 321 | D | 69.1 | Low | 63.9 | Low | 67 Ų | 67 | 80.3 Ų | 80.3 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 174.6 | -77.3 | -15.3 | 0 | 0 | 0 | 112.4 | H263 K317 E324 L325 | H263-D321 IonicContact CD2-OD2 2.67Å; H263-D321 PolarHBondContact CD2-OD2 3.38Å; H263-D321 IonicContact CE1-OD2 2.83Å; H263-D321 IonicContact NE2-OD2 2.62Å; H263-D321 PolarHBondContact NE2-OD2 2.81Å; K317-D321 PolarHBondContact O-N 3.43Å; D321-E324 PolarHBondContact O-N 2.78Å; D321-L325 WeakPolarHBondContact O-CG 3.4Å; D321-L325 PolarHBondContact O-N 2.71Å |
| 322 | Q | 65.1 | Low | 63.1 | Low | 59 Ų | 59 | 82.9 Ų | 82.9 | 28% | 0.276 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 174.8 | -76.1 | -176 | 23.3 | 0 | 0 | 111.7 | W261 I318 L319 E324 L325 L326 | W261-Q322 HydrophobicContact CD2-CG 4.23Å; W261-Q322 VanDerWaalsContact CD2-NE2 3.34Å; W261-Q322 HydrophobicContact CE3-CG 4.27Å; W261-Q322 HydrophobicContact CH2-CG 4.04Å; W261-Q322 HydrophobicContact CZ2-CG 3.98Å; W261-Q322 HydrophobicContact CZ3-CG 4.18Å; I318-Q322 WeakPolarHBondContact O-CG 3.45Å; I318-Q322 PolarHBondContact O-N 3.43Å; L319-Q322 PolarHBondContact O-N 2.76Å; Q322-E324 VanDerWaalsContact C-N 3.33Å; Q322-E324 PolarHBondContact O-N 3.29Å; Q322-L325 PolarHBondContact O-N 3.17Å; Q322-L326 VanDerWaalsContact O-CG 3.3Å; Q322-L326 WeakPolarHBondContact O-CG 3.37Å; Q322-L326 PolarHBondContact O-N 2.68Å |
| 323 | Q | 64.5 | Low | 62.3 | Low | 56 Ų | 56 | 88.3 Ų | 88.3 | 26% | 0.262 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 174.1 | -80.8 | -155.1 | 8 | 0 | 0 | 111.8 | E222 L319 E320 L326 K327 | E222-Q323 PolarHBondContact OE1-NE2 3.41Å; E222-Q323 PolarHBondContact OE2-NE2 3.04Å; L319-Q323 WeakPolarHBondContact O-CB 3.45Å; L319-Q323 WeakPolarHBondContact O-CG 3.49Å; L319-Q323 PolarHBondContact O-N 2.93Å; E320-Q323 PolarHBondContact O-N 2.72Å; Q323-L326 PolarHBondContact O-N 2.8Å; Q323-K327 WeakPolarHBondContact O-CB 3.21Å; Q323-K327 WeakPolarHBondContact O-CD 3.44Å; Q323-K327 WeakPolarHBondContact O-CG 3.48Å; Q323-K327 PolarHBondContact O-N 2.82Å |
| 324 | E | 67.8 | Low | 61.2 | Low | 102 Ų | 102 | 90.9 Ų | 90.9 | 48% | 0.477 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 178 | -178.6 | 157.8 | -169.9 | 0 | 0 | 111.6 | E320 D321 Q322 L326 K327 Q328 | E320-E324 PolarHBondContact O-N 3Å; D321-E324 PolarHBondContact O-N 2.78Å; Q322-E324 VanDerWaalsContact C-N 3.33Å; Q322-E324 PolarHBondContact O-N 3.29Å; E324-L326 VanDerWaalsContact C-N 3.27Å; E324-L326 PolarHBondContact O-N 2.82Å; E324-K327 CarbonylContact O-C 3.58Å; E324-K327 WeakPolarHBondContact O-CA 3.14Å; E324-K327 WeakPolarHBondContact O-CB 3.46Å; E324-K327 PolarHBondContact O-N 2.97Å; E324-Q328 HydrophobicContact CG-CG 4.24Å; E324-Q328 WeakPolarHBondContact O-CG 3.29Å; E324-Q328 PolarHBondContact O-N 2.83Å; E324-Q328 PolarHBondContact OE1-NE2 3.4Å |
| 325 | L | 63.9 | Low | 59.9 | Low | 80 Ų | 80 | 98.4 Ų | 98.4 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58 | -39 | 174.4 | -70.7 | 168.6 | 0 | 0 | 0 | 112 | W261 D321 Q322 Q328 K329 | W261-L325 HydrophobicContact CH2-CD1 3.79Å; W261-L325 HydrophobicContact CZ2-CD1 4.07Å; D321-L325 WeakPolarHBondContact O-CG 3.4Å; D321-L325 PolarHBondContact O-N 2.71Å; Q322-L325 PolarHBondContact O-N 3.17Å; L325-Q328 PolarHBondContact O-N 3.14Å; L325-K329 WeakPolarHBondContact O-CG 3.48Å; L325-K329 PolarHBondContact O-N 3.17Å |
| 326 | L | 60.3 | Low | 58.6 | Low | 112 Ų | 112 | 108.1 Ų | 108.1 | 59% | 0.586 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.7 | -39 | 173.5 | -70.5 | 165.8 | 0 | 0 | 0 | 112.5 | Q322 Q323 E324 T330 | Q322-L326 VanDerWaalsContact O-CG 3.3Å; Q322-L326 WeakPolarHBondContact O-CG 3.37Å; Q322-L326 PolarHBondContact O-N 2.68Å; Q323-L326 PolarHBondContact O-N 2.8Å; E324-L326 VanDerWaalsContact C-N 3.27Å; E324-L326 PolarHBondContact O-N 2.82Å; L326-T330 WeakPolarHBondContact O-CB 3.45Å; L326-T330 WeakPolarHBondContact O-CG2 3.24Å; L326-T330 PolarHBondContact O-N 3.02Å; L326-T330 PolarHBondContact O-OG1 2.98Å |
| 327 | K | 62.4 | Low | 57.5 | Low | 105 Ų | 105 | 105.3 Ų | 105.3 | 46% | 0.457 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 174.2 | -71.6 | 160.1 | -168 | 164.1 | 0 | 111.5 | Q323 E324 T330 K331 | Q323-K327 WeakPolarHBondContact O-CB 3.21Å; Q323-K327 WeakPolarHBondContact O-CD 3.44Å; Q323-K327 WeakPolarHBondContact O-CG 3.48Å; Q323-K327 PolarHBondContact O-N 2.82Å; E324-K327 CarbonylContact O-C 3.58Å; E324-K327 WeakPolarHBondContact O-CA 3.14Å; E324-K327 WeakPolarHBondContact O-CB 3.46Å; E324-K327 PolarHBondContact O-N 2.97Å; K327-T330 WeakPolarHBondContact CA-OG1 3.23Å; K327-T330 PolarHBondContact O-OG1 2.92Å; K327-K331 WeakPolarHBondContact O-CB 3.49Å; K327-K331 VanDerWaalsContact O-CG 3.3Å; K327-K331 WeakPolarHBondContact O-CG 3.39Å; K327-K331 PolarHBondContact O-N 2.93Å |
| 328 | Q | 59.6 | Low | 55.9 | Low | 105 Ų | 105 | 109.4 Ų | 109.4 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.8 | -47.9 | 174.7 | -70.4 | -176.4 | 10.3 | 0 | 0 | 111.4 | E324 L325 T330 K331 G332 | E324-Q328 HydrophobicContact CG-CG 4.24Å; E324-Q328 WeakPolarHBondContact O-CG 3.29Å; E324-Q328 PolarHBondContact O-N 2.83Å; E324-Q328 PolarHBondContact OE1-NE2 3.4Å; L325-Q328 PolarHBondContact O-N 3.14Å; Q328-T330 VanDerWaalsContact C-N 3.28Å; Q328-T330 PolarHBondContact O-N 3.12Å; Q328-K331 PolarHBondContact O-N 2.81Å; Q328-K331 VanDerWaalsContact O-N 3.16Å; Q328-G332 PolarHBondContact O-N 3.38Å |
| 329 | K | 55.3 | Low | 54.2 | Low | 160 Ų | 160 | 113.3 Ų | 113.3 | 70% | 0.696 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.7 | -36.2 | 174.9 | -73.4 | 178.4 | -179.9 | 178.2 | 0 | 112.8 | L325 R333 | L325-K329 WeakPolarHBondContact O-CG 3.48Å; L325-K329 PolarHBondContact O-N 3.17Å; K329-R333 PolarHBondContact O-N 3.01Å |
| 330 | T | 53.1 | Low | 52.7 | Low | 80 Ų | 80 | 123.1 Ų | 123.1 | 49% | 0.491 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -79.8 | -27.6 | 176 | 51 | 0 | 0 | 0 | 0 | 114.2 | L326 K327 Q328 K334 | L326-T330 WeakPolarHBondContact O-CB 3.45Å; L326-T330 WeakPolarHBondContact O-CG2 3.24Å; L326-T330 PolarHBondContact O-N 3.02Å; L326-T330 PolarHBondContact O-OG1 2.98Å; K327-T330 WeakPolarHBondContact CA-OG1 3.23Å; K327-T330 PolarHBondContact O-OG1 2.92Å; Q328-T330 VanDerWaalsContact C-N 3.28Å; Q328-T330 PolarHBondContact O-N 3.12Å; T330-K334 PolarHBondContact O-N 3.22Å |
| 331 | K | 49.5 | Very low | 51.2 | Low | 146 Ų | 146 | 122.3 Ų | 122.3 | 64% | 0.635 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.9 | -43.4 | 167.5 | -80.1 | 172.9 | -179.4 | 175.8 | 0 | 111.2 | K327 Q328 R333 K334 | K327-K331 WeakPolarHBondContact O-CB 3.49Å; K327-K331 VanDerWaalsContact O-CG 3.3Å; K327-K331 WeakPolarHBondContact O-CG 3.39Å; K327-K331 PolarHBondContact O-N 2.93Å; Q328-K331 PolarHBondContact O-N 2.81Å; Q328-K331 VanDerWaalsContact O-N 3.16Å; K331-R333 VanDerWaalsContact C-N 3.32Å; K331-R333 PolarHBondContact O-N 2.57Å; K331-K334 PolarHBondContact O-N 3.32Å |
| 332 | G | 47.1 | Very low | 49.5 | Very low | 56 Ų | 56 | 121.9 Ų | 121.9 | 58% | 0.577 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -57.1 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q328 | Q328-G332 PolarHBondContact O-N 3.38Å |
| 333 | R | 46.4 | Very low | 48.1 | Very low | 225 Ų | 225 | 129.2 Ų | 129.2 | 85% | 0.849 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.7 | -19.8 | 175.2 | -77.9 | -174.8 | 172.4 | 178.6 | -2 | 114.6 | K329 K331 | K329-R333 PolarHBondContact O-N 3.01Å; K331-R333 VanDerWaalsContact C-N 3.32Å; K331-R333 PolarHBondContact O-N 2.57Å |
| 334 | K | 42.8 | Very low | 46.6 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -79.7 | -18.7 | 179.5 | -82.1 | 178.3 | 179 | 169.8 | 0 | 114.2 | T330 K331 K336 | T330-K334 PolarHBondContact O-N 3.22Å; K331-K334 PolarHBondContact O-N 3.32Å; K334-K336 VanDerWaalsContact C-N 3.3Å; K334-K336 PolarHBondContact O-N 3.42Å |
| 335 | L | 39.1 | Very low | 45.2 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 89% | 0.885 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -16.8 | -177.7 | -136.3 | 80.2 | 0 | 0 | 0 | 114.4 | ||
| 336 | K | 39.2 | Very low | 43.8 | Very low | 212 Ų | 212 | 140 Ų | 140 | 92% | 0.922 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 16.7 | -179.2 | -142.4 | 177.2 | -173.6 | 178.8 | 0 | 114.2 | K334 | K334-K336 VanDerWaalsContact C-N 3.3Å; K334-K336 PolarHBondContact O-N 3.42Å |
| 337 | G | 45.7 | Very low | 42.4 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 60% | 0.598 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -153.2 | 25.5 | -163.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||
| 338 | K | 37.5 | Very low | 40.9 | Very low | 195 Ų | 195 | 138.7 Ų | 138.7 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -163.6 | 92.9 | 161.7 | -118.1 | 163 | -176.6 | 172.8 | 0 | 112.7 | R340 | K338-R340 PolarHBondContact O-N 3.16Å; K338-R340 VanDerWaalsContact O-N 3.13Å | ||
| 339 | G | 35.1 | Very low | 39.7 | Very low | 87 Ų | 87 | 142.5 Ų | 142.5 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -60.3 | 113.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G341 | G339-G341 PolarHBondContact O-N 3Š| ||
| 340 | R | 36.6 | Very low | 38.7 | Very low | 245 Ų | 245 | 144.9 Ų | 144.9 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 110.1 | 166.6 | -84.8 | 178 | 161.7 | 176.2 | -6.5 | 107.9 | K338 G342 | K338-R340 PolarHBondContact O-N 3.16Å; K338-R340 VanDerWaalsContact O-N 3.13Å; R340-G342 PolarHBondContact O-N 3.28Å | ||
| 341 | G | 34.7 | Very low | 37.7 | Very low | 86 Ų | 86 | 144.9 Ų | 144.9 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -69.3 | 76.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | G339 | G339-G341 PolarHBondContact O-N 3Š| ||
| 342 | G | 34 | Very low | 36.9 | Very low | 59 Ų | 59 | 147.7 Ų | 147.7 | 61% | 0.608 | 82% | 0.823 | S | S | * | * | trans | -76.7 | 133.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | R340 I344 | R340-G342 PolarHBondContact O-N 3.28Å; G342-I344 PolarHBondContact O-N 2.93Å | ||
| 343 | K | 35.3 | Very low | 36.2 | Very low | 213 Ų | 213 | 152.2 Ų | 152.2 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | trans | -63.7 | 129.4 | 174.7 | -67.6 | 178.4 | 173.9 | -176 | 0 | 109.7 | ||||
| 344 | I | 32.7 | Very low | 35.7 | Very low | 158 Ų | 158 | 149 Ų | 149 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | trans | -120.6 | 134.8 | 161.2 | -58.6 | 178.4 | 0 | 0 | 0 | 106.1 | G342 | G342-I344 PolarHBondContact O-N 2.93Š| ||
| 345 | P | 39.4 | Very low | 35 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 71% | 0.714 | 84% | 0.842 | S | S | * | * | trans | -87.4 | 162.3 | -179 | 35.8 | -35.5 | 0 | 0 | 0 | 113.2 | ||||
| 346 | Q | 34.3 | Very low | 35 | Very low | 196 Ų | 196 | 150.5 Ų | 150.5 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | trans | 71.9 | 131.7 | 166.4 | -64.1 | -177.9 | -19.5 | 0 | 0 | 119.9 | ||||
| 347 | G | 30.2 | Very low | 34.7 | Very low | 77 Ų | 77 | 143.6 Ų | 143.6 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | 103.3 | 123.8 | 127.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 348 | A | 31 | Very low | 34.3 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 93% | 0.926 | 84% | 0.838 | S | S | * | * | trans | 74 | 140 | 155 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 349 | H | 35.2 | Very low | 34.2 | Very low | 186 Ų | 186 | 151 Ų | 151 | 86% | 0.861 | 84% | 0.84 | S | S | * | * | trans | -86.8 | 146.5 | -178.8 | -77.7 | -82.2 | 0 | 0 | 0 | 113.9 | ||||
| 350 | K | 34.4 | Very low | 34.1 | Very low | 210 Ų | 210 | 153.7 Ų | 153.7 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | 170.6 | 153.7 | 108.4 | -95.4 | 179.8 | 178.5 | 178.4 | 0 | 112.5 | |||||
| 351 | G | 31.2 | Very low | 33.8 | Very low | 80 Ų | 80 | 150.8 Ų | 150.8 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | 101.9 | 109 | 154 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 352 | K | 33.9 | Very low | 33.5 | Very low | 204 Ų | 204 | 155.3 Ų | 155.3 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -69.1 | 148.3 | 167.5 | -68.7 | 170.4 | 170.5 | 175.1 | 0 | 111.5 | ||||
| 353 | V | 32.2 | Very low | 33.2 | Very low | 152 Ų | 152 | 160.9 Ų | 160.9 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | -148.3 | 149.1 | 109.7 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 354 | Q | 34.4 | Very low | 33 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 73% | 0.729 | 83% | 0.83 | S | S | * | * | trans | -109.3 | 131.4 | -169 | -171.4 | 175.7 | 6.6 | 0 | 0 | 110.6 | ||||
| 355 | F | 28.4 | Very low | 33.1 | Very low | 204 Ų | 204 | 156.9 Ų | 156.9 | 90% | 0.895 | 83% | 0.829 | S | S | * | * | trans | -136.9 | 120 | 168.5 | -158.2 | -97 | 0 | 0 | 0 | 111.1 | G357 | F355-G357 PolarHBondContact O-N 2.65Š| ||
| 356 | Q | 39.1 | Very low | 33 | Very low | 161 Ų | 161 | 158.4 Ų | 158.4 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -90.7 | 105.6 | -174.4 | -64.6 | -173.6 | 8 | 0 | 0 | 111.3 | ||||
| 357 | G | 33.2 | Very low | 33.2 | Very low | 66 Ų | 66 | 152.4 Ų | 152.4 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | -118.6 | 96 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | F355 K359 | F355-G357 PolarHBondContact O-N 2.65Å; G357-K359 PolarHBondContact O-N 3.16Å; G357-K359 VanDerWaalsContact O-N 3.12Å | ||
| 358 | K | 38.3 | Very low | 33.1 | Very low | 205 Ų | 205 | 152.3 Ų | 152.3 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | trans | -59 | 114.4 | -179.9 | -77.5 | 178.8 | 176.8 | 174.2 | 0 | 111 | ||||
| 359 | K | 33.8 | Very low | 33.1 | Very low | 204 Ų | 204 | 156.3 Ų | 156.3 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | -111.8 | 112.2 | 156 | -74.8 | -169.4 | 176 | -178.6 | 0 | 108.6 | G357 K361 | G357-K359 PolarHBondContact O-N 3.16Å; G357-K359 VanDerWaalsContact O-N 3.12Å; K359-K361 PolarHBondContact O-N 2.87Å | ||
| 360 | T | 34.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 154.2 Ų | 154.2 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -65.2 | 109.9 | 176.4 | 36.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 361 | K | 29.1 | Very low | 32.6 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -106.7 | 120 | 166.8 | -158.2 | -176.7 | -177.6 | -164.9 | 0 | 106.2 | K359 E363 | K359-K361 PolarHBondContact O-N 2.87Å; K361-E363 PolarHBondContact O-N 3.3Å | ||
| 362 | F | 29.1 | Very low | 32.4 | Very low | 182 Ų | 182 | 152.2 Ų | 152.2 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -77 | 107.7 | -179.1 | -121.1 | -93.4 | 0 | 0 | 0 | 109.2 | ||||
| 363 | E | 28.6 | Very low | 32.1 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -90.5 | 113 | 163.5 | -72.4 | 178.9 | 139.5 | 0 | 0 | 107.8 | K361 | K361-E363 PolarHBondContact O-N 3.3Š| ||
| 364 | N | 30.1 | Very low | 31.8 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -86.8 | 105 | 165 | -100.6 | -40.3 | 0 | 0 | 0 | 107.2 | E366 | N364-E366 PolarHBondContact O-N 3.06Å; N364-E366 VanDerWaalsContact O-N 3.1Å | ||
| 365 | D | 34.1 | Very low | 31.5 | Very low | 150 Ų | 150 | 150.8 Ų | 150.8 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -66.1 | 98.4 | 172.1 | 179.9 | 37.8 | 0 | 0 | 0 | 110.4 | ||||
| 366 | E | 38.3 | Very low | 31.6 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -142 | 61.2 | 166 | -160.6 | 179.3 | -138.5 | 0 | 0 | 108.8 | K192 R196 N364 | K192-E366 IonicContact NZ-OE2 2.75Å; R196-E366 IonicContact CZ-OE2 3.37Å; R196-E366 IonicContact NH1-OE2 2.65Å; R196-E366 IonicContact NH2-OE2 2.65Å; R196-E366 PolarHBondContact NH2-OE2 3.34Å; N364-E366 PolarHBondContact O-N 3.06Å; N364-E366 VanDerWaalsContact O-N 3.1Å |
| 367 | G | 37.6 | Very low | 30.9 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 129.2 | 82.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E369 | G367-E369 PolarHBondContact O-N 2.86Š| ||
| 368 | G | 29.1 | Very low | 30.6 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | trans | -77.5 | 108.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 369 | E | 31.2 | Very low | 30.6 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -81.5 | 120.1 | 154.5 | -69.2 | 170.1 | 157.5 | 0 | 0 | 106.8 | G367 | G367-E369 PolarHBondContact O-N 2.86Š| ||
| 370 | D | 28.8 | Very low | 30.2 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -111.5 | 115.4 | 171.7 | -167.1 | 16.3 | 0 | 0 | 0 | 108 | ||||
| 371 | D | 29.8 | Very low | 29.9 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | -107 | 62 | -167.7 | -158.7 | -17.9 | 0 | 0 | 0 | 109.2 | K373 | D371-K373 PolarHBondContact O-N 2.83Å; D371-K373 VanDerWaalsContact O-N 3.14Å | ||
| 372 | T | 27.3 | Very low | 29.8 | Very low | 103 Ų | 103 | 147 Ų | 147 | 63% | 0.632 | 79% | 0.788 | S | S | * | * | trans | -80.9 | 88.9 | 178 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | T374 | T372-T374 PolarHBondContact O-N 3.41Å; T372-T374 VanDerWaalsContact O-N 3.17Å | ||
| 373 | K | 28.4 | Very low | 30.4 | Very low | 184 Ų | 184 | 143.9 Ų | 143.9 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -60.4 | 113.3 | 163.6 | -80.5 | -168.1 | 171.4 | -163.6 | 0 | 110.9 | D371 | D371-K373 PolarHBondContact O-N 2.83Å; D371-K373 VanDerWaalsContact O-N 3.14Å | ||
| 374 | T | 24.7 | Very low | 30.3 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -114.9 | 116.1 | 163.3 | -48.3 | 0 | 0 | 0 | 0 | 107.7 | T372 | T372-T374 PolarHBondContact O-N 3.41Å; T372-T374 VanDerWaalsContact O-N 3.17Å | ||
| 375 | E | 29.2 | Very low | 30 | Very low | 168 Ų | 168 | 144.1 Ų | 144.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -107.2 | 153.2 | 170.6 | -90.4 | -173.5 | -162.5 | 0 | 0 | 111 | ||||
| 376 | P | 29 | Very low | 29.6 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -88.4 | 157.3 | -157.4 | 34.5 | -37 | 0 | 0 | 0 | 115 | ||||
| 377 | A | 24.9 | Very low | 29 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -86.2 | 150.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 378 | S | 27.2 | Very low | 28.5 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -177.9 | 164.4 | 158.6 | -97.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 379 | P | 37.1 | Very low | 28.5 | Very low | 106 Ų | 106 | 156.1 Ų | 156.1 | 69% | 0.688 | 81% | 0.807 | S | S | * | * | -134.4 | -169.3 | -114.2 | 37.1 | -17 | 0 | 0 | 0 | 117.3 | |||||
| 380 | K | 26.7 | Very low | 28.3 | Very low | 192 Ų | 192 | 155.1 Ų | 155.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 86.4 | 128.3 | 169.1 | -52 | 171.3 | 177.4 | 172.4 | 0 | 115 | ||||
| 381 | K | 28.1 | Very low | 28.4 | Very low | 209 Ų | 209 | 156.4 Ų | 156.4 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | -167.6 | 168.9 | 61.2 | -117.9 | 162.7 | -173.1 | -178.1 | 0 | 113.3 | |||||
| 382 | R | 26.4 | Very low | 28.4 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -56.2 | 169.1 | -167.9 | -74.9 | 177.6 | -173.5 | 167.9 | 0.9 | 120.7 | ||||
| 383 | P | 41.9 | Very low | 28.7 | Very low | 115 Ų | 115 | 154.7 Ų | 154.7 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | trans | -96.4 | 171.7 | 178.5 | 40.8 | -37.6 | 0 | 0 | 0 | 114.7 | ||||
| 384 | L | 25.5 | Very low | 29.4 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -163.6 | 179.7 | 146.6 | -139.3 | 75.9 | 0 | 0 | 0 | 112.9 | ||||
| 385 | E | 25.1 | Very low | 29.6 | Very low | 156 Ų | 156 | 155.3 Ų | 155.3 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | trans | -93 | 170 | -152.2 | -68 | 148.2 | 116 | 0 | 0 | 118.4 | ||||
| 386 | E | 26.1 | Very low | 29.8 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | -0.2 | 141 | 148.5 | -54.2 | -179.8 | 157.7 | 0 | 0 | 121.4 | ||||
| 387 | T | 25.8 | Very low | 29.9 | Very low | 145 Ų | 145 | 157.3 Ų | 157.3 | 89% | 0.89 | 82% | 0.815 | S | S | * | * | -154.8 | 152.8 | 125.4 | -19.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 388 | E | 25.7 | Very low | 30.1 | Very low | 178 Ų | 178 | 161.2 Ų | 161.2 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | trans | -78.8 | 168.9 | -167.7 | -52.4 | 163 | 117.2 | 0 | 0 | 115.2 | ||||
| 389 | K | 29.2 | Very low | 30.4 | Very low | 188 Ų | 188 | 160.8 Ų | 160.8 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | -164.7 | 111.1 | 135.4 | -113.3 | 170 | -175.8 | -177.8 | 0 | 115.9 | ||||
| 390 | E | 26.9 | Very low | 30.2 | Very low | 177 Ų | 177 | 163.6 Ų | 163.6 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | 42.8 | 132.4 | 141.4 | -65.2 | 178.8 | 117.1 | 0 | 0 | 123.4 | ||||
| 391 | E | 30.3 | Very low | 30.4 | Very low | 168 Ų | 168 | 162 Ų | 162 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -72.7 | 176.7 | 160.2 | -58.6 | -173.8 | 123.3 | 0 | 0 | 112.8 | ||||
| 392 | P | 31.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 155.6 Ų | 155.6 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | -139.5 | 165.3 | 104.2 | 36.4 | -23.7 | 0 | 0 | 0 | 116 | |||||
| 393 | A | 32.9 | Very low | 31.1 | Very low | 77 Ų | 77 | 152 Ų | 152 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | -102.4 | -148.3 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 394 | P | 43.8 | Very low | 30.7 | Very low | 117 Ų | 117 | 150 Ų | 150 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | -125.7 | -178.4 | -83.3 | 36.1 | -21 | 0 | 0 | 0 | 114.4 | |||||
| 395 | K | 29.6 | Very low | 31.5 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -138.2 | 135.5 | 154.3 | -82.1 | -170.3 | 176.3 | 178 | 0 | 112.2 | ||||
| 396 | Q | 33.5 | Very low | 32.2 | Very low | 175 Ų | 175 | 157 Ų | 157 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -105.1 | 162.3 | 174.7 | -68.9 | -174.3 | -15.8 | 0 | 0 | 112.2 | ||||
| 397 | L | 30.8 | Very low | 32.5 | Very low | 161 Ų | 161 | 156 Ų | 156 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -175.3 | 116.8 | 138.5 | -93.9 | 156.1 | 0 | 0 | 0 | 105.5 | ||||
| 398 | K | 29 | Very low | 32.9 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 78% | 0.778 | 83% | 0.828 | S | S | * | * | 37.8 | 127.9 | 90.2 | -70 | -174 | 175.2 | -175.8 | 0 | 112.7 | |||||
| 399 | T | 33 | Very low | 33.3 | Very low | 110 Ų | 110 | 155.3 Ų | 155.3 | 68% | 0.675 | 83% | 0.828 | S | S | * | * | cis | -159.1 | 174.3 | 26.9 | -9.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 400 | E | 31.8 | Very low | 33.5 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | cis | -150.2 | -139.2 | 8.9 | -159.2 | 124 | 51.4 | 0 | 0 | 112.5 | ||||
| 401 | N | 32.3 | Very low | 33.9 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | trans | -92.7 | 162.5 | -169.8 | -60.7 | -34.9 | 0 | 0 | 0 | 115.9 | ||||
| 402 | G | 33.2 | Very low | 34.1 | Very low | 75 Ų | 75 | 150.9 Ų | 150.9 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -176.1 | 100.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 403 | D | 35.4 | Very low | 34.4 | Very low | 165 Ų | 165 | 152 Ų | 152 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | trans | -42.3 | 143.8 | 167.9 | -66.4 | -84.9 | 0 | 0 | 0 | 114.6 | ||||
| 404 | G | 34.2 | Very low | 34.5 | Very low | 71 Ų | 71 | 157.8 Ų | 157.8 | 73% | 0.732 | 84% | 0.843 | S | S | * | * | 109.8 | 151.4 | 94.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 405 | E | 41.8 | Very low | 33.7 | Very low | 199 Ų | 199 | 161.2 Ų | 161.2 | 93% | 0.93 | 85% | 0.85 | S | S | * | * | cis | -136 | -167.5 | 6 | -82.8 | -179.7 | 98.9 | 0 | 0 | 111 | ||||
| 406 | Q | 39.8 | Very low | 34.1 | Very low | 266 Ų | 266 | 156.6 Ų | 156.6 | 100% | 1.243 | 84% | 0.844 | S | S | * | * | trans | -73.8 | 0 | -166.9 | -63.2 | 169.4 | -19 | 0 | 0 | 115.9 |
Retrieved 406 of 406 residues in 205.5 ms
(Link to these results)