| 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 | 39.6 | Very low | 41 | Very low | 238 Ų | 238 | 171.5 Ų | 171.5 | 100% | 1.172 | 80% | 0.795 | S | S | * | * | 0 | 122.7 | 0 | -160.9 | 174.1 | -87.3 | 0 | 0 | 106.9 | R3 | M1-R3 PolarHBondContact O-N 3.24Š| |||
| 2 | F | 37.3 | Very low | 43.1 | Very low | 213 Ų | 213 | 161.4 Ų | 161.4 | 93% | 0.934 | 76% | 0.764 | S | S | * | * | trans | -53.4 | 127.8 | -159.5 | -81.2 | -98.9 | 0 | 0 | 0 | 114.3 | S4 | F2-S4 PolarHBondContact O-N 3.19Š| ||
| 3 | R | 36.1 | Very low | 44.6 | Very low | 233 Ų | 233 | 151.8 Ų | 151.8 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | trans | -67.8 | 119.6 | 169.5 | -75.1 | -178 | 171.1 | -172 | -3.8 | 108.6 | M1 F5 | M1-R3 PolarHBondContact O-N 3.24Å; R3-F5 PolarHBondContact O-N 3.13Å | ||
| 4 | S | 36.7 | Very low | 45.8 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | trans | -66.8 | 114 | 176.8 | 66.8 | 0 | 0 | 0 | 0 | 110.2 | F2 F6 | F2-S4 PolarHBondContact O-N 3.19Å; S4-F6 PolarHBondContact O-N 3.27Å; S4-F6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | F | 39.7 | Very low | 46.5 | Very low | 203 Ų | 203 | 140.9 Ų | 140.9 | 89% | 0.89 | 69% | 0.691 | S | S | * | * | trans | -74.3 | 93.3 | 163.6 | -85.3 | -94.1 | 0 | 0 | 0 | 108.5 | R3 R7 | R3-F5 PolarHBondContact O-N 3.13Å; F5-R7 VanDerWaalsContact C-N 3.26Å; F5-R7 PolarHBondContact O-N 3.17Å | ||
| 6 | F | 37.5 | Very low | 47.3 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 82% | 0.816 | 65% | 0.652 | S | S | * | * | trans | -70.5 | 90.9 | 159.5 | -81.5 | -84 | 0 | 0 | 0 | 107.8 | S4 R8 | S4-F6 PolarHBondContact O-N 3.27Å; S4-F6 VanDerWaalsContact O-N 3.13Å; F6-R8 PolarHBondContact O-N 3.45Å | ||
| 7 | R | 34.1 | Very low | 48.6 | Very low | 229 Ų | 229 | 128.1 Ų | 128.1 | 86% | 0.864 | 64% | 0.638 | S | S | * | * | trans | -63.3 | 105.5 | 160 | -117.1 | -178.7 | 175.7 | -168 | -1.4 | 105.8 | F5 L9 | F5-R7 VanDerWaalsContact C-N 3.26Å; F5-R7 PolarHBondContact O-N 3.17Å; R7-L9 PolarHBondContact O-N 2.96Å | ||
| 8 | R | 37.6 | Very low | 50.2 | Low | 233 Ų | 233 | 123.3 Ų | 123.3 | 88% | 0.879 | 61% | 0.614 | S | S | * | * | trans | -57.2 | 105.6 | 165.9 | -77.3 | -176.1 | 175 | -166.4 | -0.9 | 106.3 | F6 G10 | F6-R8 PolarHBondContact O-N 3.45Å; R8-G10 PolarHBondContact O-N 3.01Å | ||
| 9 | L | 41.9 | Very low | 51.4 | Low | 171 Ų | 171 | 123.1 Ų | 123.1 | 90% | 0.895 | 63% | 0.626 | S | S | * | * | trans | -65.9 | 92.9 | 162.8 | -89.6 | 94.9 | 0 | 0 | 0 | 106 | R7 | R7-L9 PolarHBondContact O-N 2.96Š| ||
| 10 | G | 50.1 | Low | 53 | Low | 56 Ų | 56 | 118.8 Ų | 118.8 | 58% | 0.577 | 61% | 0.608 | S | S | * | * | trans | -68.1 | 143.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | R8 A12 | R8-G10 PolarHBondContact O-N 3.01Å; G10-A12 PolarHBondContact O-N 3.23Å | ||
| 11 | V | 59.8 | Low | 54.9 | Low | 34 Ų | 34 | 113.8 Ų | 113.8 | 21% | 0.206 | 58% | 0.583 | C | S | . | * | trans | -65.6 | 124.6 | 164.7 | 176.6 | 0 | 0 | 0 | 0 | 106.7 | I248 V264 | V11-I248 HydrophobicContact CG1-CG2 4.2Å; V11-I248 HydrophobicContact CG2-CG2 4.3Å; V11-V264 HydrophobicContact CG1-CG1 3.17Å | ||
| 12 | A | 67.3 | Low | 57.5 | Low | 51 Ų | 51 | 105.7 Ų | 105.7 | 42% | 0.421 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 135.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | G10 K265 | G10-A12 PolarHBondContact O-N 3.23Å; A12-K265 WeakPolarHBondContact O-CA 3.36Å; A12-K265 WeakPolarHBondContact O-CB 3.47Å; A12-K265 WeakPolarHBondContact O-CG 3.35Å; A12-K265 PolarHBondContact O-N 3.07Å |
| 13 | V | 62.5 | Low | 60.3 | Low | 36 Ų | 36 | 98.6 Ų | 98.6 | 22% | 0.218 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 141 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | P52 T263 V264 | V13-P52 HydrophobicContact CG1-CG 4.13Å; V13-T263 WeakPolarHBondContact CG1-OG1 3.47Å; V13-V264 HydrophobicContact CG2-CG1 4.4Å; V13-V264 HydrophobicContact CG2-CG2 4.29Å |
| 14 | S | 60.8 | Low | 63.2 | Low | 41 Ų | 41 | 89.6 Ų | 89.6 | 29% | 0.287 | 49% | 0.493 | S | S | . | . | trans | -64.9 | 138.5 | 169.9 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | L16 | S14-L16 PolarHBondContact O-N 3.39Š| ||
| 15 | S | 56.8 | Low | 66.2 | Low | 100 Ų | 100 | 89.1 Ų | 89.1 | 70% | 0.699 | 48% | 0.481 | S | S | * | . | trans | -60.4 | 105.6 | 175.7 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 16 | L | 59 | Low | 69 | Low | 12 Ų | 12 | 81.2 Ų | 81.2 | 6% | 0.063 | 45% | 0.445 | C | S | . | . | trans | -83.4 | 132.4 | 170.2 | -73.4 | 164.1 | 0 | 0 | 0 | 107.3 | S14 M18 H40 D50 T263 | S14-L16 PolarHBondContact O-N 3.39Å; L16-M18 HydrophobicContact CB-CE 3.23Å; L16-M18 HydrophobicContact CD1-CE 4.26Å; L16-M18 HydrophobicContact CG-CE 4.39Å; L16-M18 VanDerWaalsContact O-CE 3.27Å; L16-M18 WeakPolarHBondContact O-CE 3.44Å; L16-M18 PolarHBondContact O-N 3.46Å; L16-H40 HydrophobicContact CD2-CB 3.94Å; L16-H40 VanDerWaalsContact CD2-CD2 3.45Å; L16-H40 WeakPolarHBondContact CD2-CD2 3.05Å; L16-H40 VanDerWaalsContact CD2-CE1 3.45Å; L16-H40 WeakPolarHBondContact CD2-CE1 3.24Å; L16-H40 VanDerWaalsContact CD2-ND1 3.32Å; L16-H40 WeakPolarHBondContact CD2-ND1 3.45Å; L16-D50 WeakPolarHBondContact CD1-O 3.36Å; L16-T263 HydrophobicContact CD1-CG2 3.94Å; L16-T263 HydrophobicContact CD2-CG2 4.07Å; L16-T263 HydrophobicContact CG-CG2 4.28Å | ||
| 17 | A | 69.2 | Low | 71.8 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 42% | 0.421 | 41% | 0.407 | S | S | . | . | trans | -70.9 | 104 | 172 | 0 | 0 | 0 | 0 | 0 | 107.6 | S19 S20 H40 | A17-S19 PolarHBondContact O-N 3.12Å; A17-S20 PolarHBondContact O-N 3.25Å; A17-S20 PolarHBondContact O-OG 2.82Å; A17-H40 PolarHBondContact N-NE2 3.15Å | ||
| 18 | M | 77.5 | Confident | 74.9 | Confident | 42 Ų | 42 | 63.8 Ų | 63.8 | 21% | 0.207 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -57.9 | -23.6 | -174.4 | -69 | -63.3 | 99.3 | 0 | 0 | 113.6 | L16 S20 V21 V51 P52 I152 | L16-M18 HydrophobicContact CB-CE 3.23Å; L16-M18 HydrophobicContact CD1-CE 4.26Å; L16-M18 HydrophobicContact CG-CE 4.39Å; L16-M18 VanDerWaalsContact O-CE 3.27Å; L16-M18 WeakPolarHBondContact O-CE 3.44Å; L16-M18 PolarHBondContact O-N 3.46Å; M18-S20 PolarHBondContact O-N 2.85Å; M18-V21 HydrophobicContact CE-CG2 3.92Å; M18-V21 PolarHBondContact O-N 3.24Å; M18-V21 VanDerWaalsContact O-N 3.12Å; M18-V21 HydrophobicContact SD-CG2 4.26Å; M18-V51 HydrophobicContact SD-CG1 4.21Å; M18-P52 VanDerWaalsContact CE-CD 3.44Å; M18-P52 HydrophobicContact CE-CG 3.98Å; M18-I152 HydrophobicContact SD-CG2 4.08Å |
| 19 | S | 73.1 | Confident | 77.8 | Confident | 119 Ų | 119 | 53.2 Ų | 53.2 | 83% | 0.832 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -63.7 | -15.7 | 175.1 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | A17 | A17-S19 PolarHBondContact O-N 3.12Š|
| 20 | S | 82.6 | Confident | 80.3 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 26% | 0.259 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -103.3 | 1.4 | 176 | 65.6 | 0 | 0 | 0 | 0 | 113.3 | A17 M18 H40 G41 | A17-S20 PolarHBondContact O-N 3.25Å; A17-S20 PolarHBondContact O-OG 2.82Å; M18-S20 PolarHBondContact O-N 2.85Å; S20-H40 WeakPolarHBondContact O-CA 3.44Å; S20-H40 PolarHBondContact OG-CD2 3.33Å; S20-H40 PolarHBondContact OG-NE2 3.06Å; S20-G41 PolarHBondContact O-N 2.83Å |
| 21 | V | 92.6 | Very high | 82.5 | Confident | 15 Ų | 15 | 47 Ų | 47 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 119.1 | 173.3 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | M18 L38 T39 H40 I45 I152 | M18-V21 HydrophobicContact CE-CG2 3.92Å; M18-V21 PolarHBondContact O-N 3.24Å; M18-V21 VanDerWaalsContact O-N 3.12Å; M18-V21 HydrophobicContact SD-CG2 4.26Å; V21-L38 HydrophobicContact CG1-CB 4.12Å; V21-L38 HydrophobicContact CG1-CD1 4.37Å; V21-L38 HydrophobicContact CG1-CD2 4.27Å; V21-L38 HydrophobicContact CG1-CG 4.49Å; V21-T39 CarbonylContact C-O 3.57Å; V21-T39 WeakPolarHBondContact CA-O 3.29Å; V21-H40 HydrophobicContact CG2-CB 4.18Å; V21-I45 HydrophobicContact CG1-CD1 3.96Å; V21-I45 HydrophobicContact CG2-CD1 4.22Å; V21-I152 HydrophobicContact CB-CG1 4.48Å; V21-I152 HydrophobicContact CG1-CG1 3.86Å |
| 22 | V | 94.6 | Very high | 84.3 | Confident | 68 Ų | 68 | 49.4 Ų | 49.4 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.6 | -178.3 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | L38 T39 | V22-L38 WeakPolarHBondContact O-CA 3.38Å; V22-T39 WeakPolarHBondContact CG2-OG1 3.33Å; V22-T39 PolarHBondContact N-O 2.66Å; V22-T39 PolarHBondContact O-N 3.44Å |
| 23 | P | 97.3 | Very high | 85.7 | Confident | 64 Ų | 64 | 49.1 Ų | 49.1 | 42% | 0.416 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 141.2 | 172.6 | 30.1 | -34 | 0 | 0 | 0 | 111.6 | I36 F37 L38 | P23-I36 HydrophobicContact CB-CG2 3.72Å; P23-F37 CarbonylContact C-O 3.5Å; P23-F37 VanDerWaalsContact CA-O 3.29Å; P23-F37 WeakPolarHBondContact CA-O 3.44Å; P23-L38 HydrophobicContact CB-CD2 4.37Å |
| 24 | V | 97.5 | Very high | 87.4 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 111.6 | 173.3 | 178.7 | 0 | 0 | 0 | 0 | 109 | F37 T39 | V24-F37 PolarHBondContact N-O 2.78Å; V24-F37 PolarHBondContact O-N 2.96Å; V24-T39 HydrophobicContact CB-CG2 4.4Å; V24-T39 HydrophobicContact CG2-CG2 3.58Å |
| 25 | E | 98.2 | Very high | 89.2 | Confident | 80 Ų | 80 | 48.3 Ų | 48.3 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 142 | 178.5 | -61.2 | -179.7 | 86.1 | 0 | 0 | 111.3 | Y34 R35 I36 F286 | E25-Y34 HydrophobicContact CB-CE2 4.14Å; E25-Y34 HydrophobicContact CG-CE2 4.23Å; E25-Y34 WeakPolarHBondContact OE1-CE2 3.42Å; E25-Y34 VanDerWaalsContact OE1-CZ 3.32Å; E25-Y34 PolarHBondContact OE1-OH 2.95Å; E25-R35 WeakPolarHBondContact CA-O 3.46Å; E25-I36 HydrophobicContact CG-CG1 4.46Å; E25-F286 HydrophobicContact CB-CB 4.04Å; E25-F286 HydrophobicContact CB-CD2 3.64Å; E25-F286 HydrophobicContact CB-CE2 4.25Å; E25-F286 HydrophobicContact CB-CG 3.87Å; E25-F286 WeakPolarHBondContact OE1-CE2 3.38Å |
| 26 | R | 98.4 | Very high | 91.2 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 156.5 | 174.3 | -61.8 | -61.3 | -78.5 | -93.9 | 5.1 | 111.2 | Y34 R35 F37 L280 Q281 H283 D284 | R26-Y34 WeakPolarHBondContact O-CA 3.31Å; R26-R35 PolarHBondContact N-O 2.95Å; R26-R35 PolarHBondContact O-N 2.8Å; R26-F37 HydrophobicContact CB-CD2 4.31Å; R26-F37 HydrophobicContact CB-CE2 4.02Å; R26-F37 HydrophobicContact CG-CD2 3.94Å; R26-F37 HydrophobicContact CG-CE2 4Å; R26-L280 HydrophobicContact CG-CD1 4.05Å; R26-L280 PolarHBondContact NH1-O 3.2Å; R26-L280 PolarHBondContact NH2-O 2.83Å; R26-Q281 PolarHBondContact NH2-O 2.64Å; R26-H283 HydrophobicContact CB-CB 3.8Å; R26-H283 HydrophobicContact CG-CB 4.06Å; R26-H283 PolarHBondContact NH2-O 3.46Å; R26-D284 WeakPolarHBondContact CB-O 3.25Å; R26-D284 WeakPolarHBondContact CD-O 3.44Å; R26-D284 PolarHBondContact NE-O 3.28Å |
| 27 | G | 98 | Very high | 93.1 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 71.8 | -167.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | D284 F286 T287 | G27-D284 PolarHBondContact N-O 3.24Å; G27-F286 VanDerWaalsContact O-CA 3.3Å; G27-F286 WeakPolarHBondContact O-CA 3.45Å; G27-T287 PolarHBondContact O-N 2.97Å |
| 28 | T | 98.2 | Very high | 94.5 | Very high | 46 Ų | 46 | 40.7 Ų | 40.7 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -99.2 | 122.1 | -174.5 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | S31 S33 Y34 T287 | T28-S31 WeakPolarHBondContact O-CB 3.32Å; T28-S31 PolarHBondContact O-N 2.67Å; T28-S31 PolarHBondContact O-OG 2.93Å; T28-S33 PolarHBondContact N-OG 3.27Å; T28-Y34 WeakPolarHBondContact O-CB 3.46Å; T28-T287 CarbonylContact C-O 3.57Å; T28-T287 VanDerWaalsContact CA-O 3.32Å; T28-T287 WeakPolarHBondContact CA-O 3.49Å; T28-T287 PolarHBondContact OG1-OG1 2.65Å |
| 29 | S | 97.4 | Very high | 95.4 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 153.8 | 176.4 | 71.1 | 0 | 0 | 0 | 0 | 112 | S31 T287 G289 | S29-S31 PolarHBondContact O-N 3.06Å; S29-T287 PolarHBondContact N-O 3.04Å; S29-G289 WeakPolarHBondContact O-CA 3.49Å; S29-G289 PolarHBondContact OG-N 2.91Å |
| 30 | H | 95.8 | Very high | 96.4 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 30% | 0.296 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 29.4 | -176.6 | -49.8 | -58.6 | 0 | 0 | 0 | 113.9 | L95 S290 E291 | H30-L95 VanDerWaalsContact O-CD1 3.28Å; H30-L95 WeakPolarHBondContact O-CD1 3.46Å; H30-S290 VanDerWaalsContact CB-O 3.29Å; H30-S290 WeakPolarHBondContact CB-O 3.25Å; H30-S290 PolarHBondContact CD2-O 2.96Å; H30-E291 IonicContact CD2-OE2 2.59Å; H30-E291 IonicContact CE1-OE2 2.65Å; H30-E291 PolarHBondContact CE1-OE2 2.64Å; H30-E291 VanDerWaalsContact CE1-OE2 3.31Å; H30-E291 IonicContact NE2-OE1 2.72Å; H30-E291 PolarHBondContact NE2-OE1 2.9Å; H30-E291 IonicContact NE2-OE2 2.71Å; H30-E291 PolarHBondContact NE2-OE2 3.43Å |
| 31 | S | 96.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 35.9 Ų | 35.9 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -138 | 165 | 175.2 | 84.8 | 0 | 0 | 0 | 0 | 111.1 | T28 S29 S33 Y34 | T28-S31 WeakPolarHBondContact O-CB 3.32Å; T28-S31 PolarHBondContact O-N 2.67Å; T28-S31 PolarHBondContact O-OG 2.93Å; S29-S31 PolarHBondContact O-N 3.06Å; S31-S33 PolarHBondContact O-N 3.25Å; S31-S33 VanDerWaalsContact O-N 3.15Å; S31-S33 PolarHBondContact OG-N 3.04Å; S31-S33 PolarHBondContact OG-OG 3.48Å; S31-Y34 WeakPolarHBondContact O-CB 3.48Å; S31-Y34 PolarHBondContact O-N 2.72Å |
| 32 | T | 96.6 | Very high | 96.5 | Very high | 85 Ų | 85 | 43.5 Ų | 43.5 | 52% | 0.521 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11 | 176.2 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | R35 V90 L95 | T32-R35 PolarHBondContact O-NH1 3.06Å; T32-V90 HydrophobicContact CG2-CG2 3.87Å; T32-L95 HydrophobicContact CG2-CD2 4.07Å |
| 33 | S | 96.9 | Very high | 96.5 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 32% | 0.315 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -16 | 176.1 | 71.8 | 0 | 0 | 0 | 0 | 113.9 | T28 S31 R35 | T28-S33 PolarHBondContact N-OG 3.27Å; S31-S33 PolarHBondContact O-N 3.25Å; S31-S33 VanDerWaalsContact O-N 3.15Å; S31-S33 PolarHBondContact OG-N 3.04Å; S31-S33 PolarHBondContact OG-OG 3.48Å; S33-R35 PolarHBondContact O-N 3.19Å |
| 34 | Y | 98.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 11% | 0.114 | 21% | 0.214 | C | C | . | . | trans | -68.5 | 130.5 | -173.8 | -174.4 | -126.8 | 0 | 0 | 0 | 112 | E25 R26 T28 S31 I36 M75 F286 | E25-Y34 HydrophobicContact CB-CE2 4.14Å; E25-Y34 HydrophobicContact CG-CE2 4.23Å; E25-Y34 WeakPolarHBondContact OE1-CE2 3.42Å; E25-Y34 VanDerWaalsContact OE1-CZ 3.32Å; E25-Y34 PolarHBondContact OE1-OH 2.95Å; R26-Y34 WeakPolarHBondContact O-CA 3.31Å; T28-Y34 WeakPolarHBondContact O-CB 3.46Å; S31-Y34 WeakPolarHBondContact O-CB 3.48Å; S31-Y34 PolarHBondContact O-N 2.72Å; Y34-I36 HydrophobicContact CE1-CD1 3.94Å; Y34-I36 HydrophobicContact CE1-CG1 3.9Å; Y34-I36 HydrophobicContact CE2-CG1 4.41Å; Y34-I36 WeakPolarHBondContact OH-CD1 3.4Å; Y34-M75 HydrophobicContact CD1-CE 4Å; Y34-M75 HydrophobicContact CE1-CE 3.91Å; Y34-F286 HydrophobicContact CD2-CD2 4.36Å; Y34-F286 HydrophobicContact CD2-CE2 4.27Å; Y34-F286 AromaticContact CE2-CD2 3.94Å; Y34-F286 HydrophobicContact CE2-CD2 3.94Å; Y34-F286 AromaticContact CE2-CE2 3.68Å; Y34-F286 HydrophobicContact CE2-CE2 3.68Å | ||
| 35 | R | 98.6 | Very high | 96.5 | Very high | 30 Ų | 30 | 36.6 Ų | 36.6 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 146.4 | 176.4 | -63.9 | -60.3 | -179.6 | -83.5 | -3.1 | 110.4 | E25 R26 T32 S33 F37 E81 P85 K87 | E25-R35 WeakPolarHBondContact CA-O 3.46Å; R26-R35 PolarHBondContact N-O 2.95Å; R26-R35 PolarHBondContact O-N 2.8Å; T32-R35 PolarHBondContact O-NH1 3.06Å; S33-R35 PolarHBondContact O-N 3.19Å; R35-F37 HydrophobicContact CB-CD2 4.06Å; R35-F37 HydrophobicContact CB-CE2 3.4Å; R35-F37 VanDerWaalsContact CB-CE2 3.4Å; R35-F37 HydrophobicContact CB-CZ 3.87Å; R35-F37 HydrophobicContact CG-CE2 4.15Å; R35-F37 HydrophobicContact CG-CZ 4.19Å; R35-E81 IonicContact CZ-OE1 2.62Å; R35-E81 IonicContact CZ-OE2 3.64Å; R35-E81 IonicContact NE-OE1 2.67Å; R35-E81 PolarHBondContact NE-OE1 2.75Å; R35-E81 IonicContact NE-OE2 3.72Å; R35-E81 PolarHBondContact NE-OE2 3.34Å; R35-E81 IonicContact NH2-OE1 3.8Å; R35-E81 PolarHBondContact NH2-OE1 2.82Å; R35-E81 IonicContact NH2-OE2 2.96Å; R35-E81 PolarHBondContact NH2-OE2 3.31Å; R35-P85 HydrophobicContact CB-CB 4.05Å; R35-P85 HydrophobicContact CG-CB 4.38Å; R35-P85 HydrophobicContact CG-CG 4.34Å; R35-K87 VanDerWaalsContact CZ-CD 3.41Å |
| 36 | I | 98.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 112.7 | 169.4 | -48.3 | 177.5 | 0 | 0 | 0 | 107.3 | P23 E25 Y34 M75 P85 I86 P149 | P23-I36 HydrophobicContact CB-CG2 3.72Å; E25-I36 HydrophobicContact CG-CG1 4.46Å; Y34-I36 HydrophobicContact CE1-CD1 3.94Å; Y34-I36 HydrophobicContact CE1-CG1 3.9Å; Y34-I36 HydrophobicContact CE2-CG1 4.41Å; Y34-I36 WeakPolarHBondContact OH-CD1 3.4Å; I36-M75 HydrophobicContact CD1-CE 4.46Å; I36-P85 CarbonylContact O-C 3.55Å; I36-P85 WeakPolarHBondContact O-CA 3.5Å; I36-P85 WeakPolarHBondContact O-CB 3.38Å; I36-I86 HydrophobicContact CB-CB 4.2Å; I36-I86 PolarHBondContact N-O 2.82Å; I36-I86 PolarHBondContact O-N 2.88Å; I36-P149 HydrophobicContact CD1-CB 3.46Å; I36-P149 VanDerWaalsContact CD1-CB 3.46Å; I36-P149 HydrophobicContact CD1-CG 4.26Å |
| 37 | F | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 170.2 | 174.1 | -63.1 | -87.2 | 0 | 0 | 0 | 110.1 | P23 V24 R26 R35 M83 P85 L280 H283 | P23-F37 CarbonylContact C-O 3.5Å; P23-F37 VanDerWaalsContact CA-O 3.29Å; P23-F37 WeakPolarHBondContact CA-O 3.44Å; V24-F37 PolarHBondContact N-O 2.78Å; V24-F37 PolarHBondContact O-N 2.96Å; R26-F37 HydrophobicContact CB-CD2 4.31Å; R26-F37 HydrophobicContact CB-CE2 4.02Å; R26-F37 HydrophobicContact CG-CD2 3.94Å; R26-F37 HydrophobicContact CG-CE2 4Å; R35-F37 HydrophobicContact CB-CD2 4.06Å; R35-F37 HydrophobicContact CB-CE2 3.4Å; R35-F37 VanDerWaalsContact CB-CE2 3.4Å; R35-F37 HydrophobicContact CB-CZ 3.87Å; R35-F37 HydrophobicContact CG-CE2 4.15Å; R35-F37 HydrophobicContact CG-CZ 4.19Å; F37-M83 HydrophobicContact CD1-CB 3.87Å; F37-M83 HydrophobicContact CD1-CE 3.84Å; F37-M83 HydrophobicContact CD1-SD 3.99Å; F37-M83 HydrophobicContact CE1-CB 4.16Å; F37-M83 HydrophobicContact CE1-CE 3.54Å; F37-M83 HydrophobicContact CE1-SD 4.3Å; F37-M83 HydrophobicContact CZ-CE 4.33Å; F37-P85 HydrophobicContact CD1-CB 3.72Å; F37-P85 HydrophobicContact CD1-CG 4.32Å; F37-P85 HydrophobicContact CE1-CB 3.53Å; F37-P85 HydrophobicContact CE1-CG 3.67Å; F37-P85 HydrophobicContact CE2-CB 4.37Å; F37-P85 HydrophobicContact CG-CB 4.22Å; F37-P85 HydrophobicContact CZ-CB 3.88Å; F37-P85 HydrophobicContact CZ-CG 3.99Å; F37-L280 HydrophobicContact CB-CD1 3.94Å; F37-L280 HydrophobicContact CD1-CD1 4.04Å; F37-L280 HydrophobicContact CD2-CD1 3.36Å; F37-L280 HydrophobicContact CE1-CD1 4.42Å; F37-L280 HydrophobicContact CE2-CD1 3.78Å; F37-L280 HydrophobicContact CG-CD1 3.5Å; F37-L280 VanDerWaalsContact CG-CD1 3.5Å; F37-L280 HydrophobicContact CZ-CD1 4.3Å; F37-H283 AromaticContact CZ-CD2 3.83Å; F37-H283 AromaticContact CZ-CE1 3.61Å; F37-H283 AromaticContact CZ-ND1 3.98Å; F37-H283 AromaticContact CZ-NE2 3.49Å; F37-H283 WeakPolarHBondContact CZ-NE2 3.38Å |
| 38 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.8 | 169.1 | -62.4 | 172.4 | 0 | 0 | 0 | 110.2 | V21 V22 P23 P44 I45 C47 V51 I64 G150 I152 | V21-L38 HydrophobicContact CG1-CB 4.12Å; V21-L38 HydrophobicContact CG1-CD1 4.37Å; V21-L38 HydrophobicContact CG1-CD2 4.27Å; V21-L38 HydrophobicContact CG1-CG 4.49Å; V22-L38 WeakPolarHBondContact O-CA 3.38Å; P23-L38 HydrophobicContact CB-CD2 4.37Å; L38-P44 WeakPolarHBondContact O-CA 3.43Å; L38-I45 HydrophobicContact CB-CD1 4.21Å; L38-I45 HydrophobicContact CB-CG1 3.78Å; L38-I45 PolarHBondContact O-N 3.28Å; L38-C47 HydrophobicContact CD1-CB 4.01Å; L38-V51 HydrophobicContact CD1-CG2 3.86Å; L38-I64 HydrophobicContact CD1-CD1 4.19Å; L38-G150 VanDerWaalsContact CD2-O 3.3Å; L38-G150 WeakPolarHBondContact CD2-O 3.3Å; L38-I152 HydrophobicContact CD1-CD1 3.72Å; L38-I152 HydrophobicContact CD1-CG1 4.25Å; L38-I152 HydrophobicContact CD2-CD1 4.39Å; L38-I152 HydrophobicContact CD2-CG1 4.49Å |
| 39 | T | 97.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 7% | 0.067 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.7 | 169.2 | 66.1 | 0 | 0 | 0 | 0 | 109.9 | V21 V22 V24 G41 S43 P44 L280 | V21-T39 CarbonylContact C-O 3.57Å; V21-T39 WeakPolarHBondContact CA-O 3.29Å; V22-T39 WeakPolarHBondContact CG2-OG1 3.33Å; V22-T39 PolarHBondContact N-O 2.66Å; V22-T39 PolarHBondContact O-N 3.44Å; V24-T39 HydrophobicContact CB-CG2 4.4Å; V24-T39 HydrophobicContact CG2-CG2 3.58Å; T39-G41 VanDerWaalsContact CB-O 3.3Å; T39-G41 WeakPolarHBondContact CB-O 3.42Å; T39-G41 PolarHBondContact OG1-O 3.26Å; T39-S43 CarbonylContact C-O 3.49Å; T39-S43 VanDerWaalsContact CA-O 3.26Å; T39-S43 WeakPolarHBondContact CA-O 2.87Å; T39-P44 HydrophobicContact CG2-CB 4.32Å; T39-P44 HydrophobicContact CG2-CG 4.3Å; T39-L280 HydrophobicContact CG2-CD2 4.21Å |
| 40 | H | 93.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 28.1 Ų | 28.1 | 20% | 0.204 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 100.9 | 166.3 | 173.9 | -98.5 | 0 | 0 | 0 | 108.4 | L16 A17 S20 V21 E42 S43 I45 | L16-H40 HydrophobicContact CD2-CB 3.94Å; L16-H40 VanDerWaalsContact CD2-CD2 3.45Å; L16-H40 WeakPolarHBondContact CD2-CD2 3.05Å; L16-H40 VanDerWaalsContact CD2-CE1 3.45Å; L16-H40 WeakPolarHBondContact CD2-CE1 3.24Å; L16-H40 VanDerWaalsContact CD2-ND1 3.32Å; L16-H40 WeakPolarHBondContact CD2-ND1 3.45Å; A17-H40 PolarHBondContact N-NE2 3.15Å; S20-H40 WeakPolarHBondContact O-CA 3.44Å; S20-H40 PolarHBondContact OG-CD2 3.33Å; S20-H40 PolarHBondContact OG-NE2 3.06Å; V21-H40 HydrophobicContact CG2-CB 4.18Å; H40-E42 PolarHBondContact O-N 2.89Å; H40-S43 PolarHBondContact N-O 3.04Å; H40-S43 PolarHBondContact O-N 3.21Å; H40-I45 HydrophobicContact CB-CD1 4.36Å; H40-I45 HydrophobicContact CB-CG2 4.08Å |
| 41 | G | 90.4 | Very high | 96.6 | Very high | 42 Ų | 42 | 25.1 Ų | 25.1 | 43% | 0.433 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | -124.9 | -161.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | S20 T39 | S20-G41 PolarHBondContact O-N 2.83Å; T39-G41 VanDerWaalsContact CB-O 3.3Å; T39-G41 WeakPolarHBondContact CB-O 3.42Å; T39-G41 PolarHBondContact OG1-O 3.26Å |
| 42 | E | 87.9 | Confident | 96.6 | Very high | 175 Ų | 175 | 24.5 Ų | 24.5 | 82% | 0.818 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -8.4 | 178.3 | -61.8 | -179.8 | 175.2 | 0 | 0 | 113.5 | H40 P44 | H40-E42 PolarHBondContact O-N 2.89Å; E42-P44 WeakPolarHBondContact O-CD 3.4Å |
| 43 | S | 93.9 | Very high | 96.6 | Very high | 28 Ų | 28 | 20.9 Ų | 20.9 | 20% | 0.196 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.8 | -175.9 | -56.4 | 0 | 0 | 0 | 0 | 110.6 | T39 H40 | T39-S43 CarbonylContact C-O 3.49Å; T39-S43 VanDerWaalsContact CA-O 3.26Å; T39-S43 WeakPolarHBondContact CA-O 2.87Å; H40-S43 PolarHBondContact N-O 3.04Å; H40-S43 PolarHBondContact O-N 3.21Å |
| 44 | P | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 149.8 | 172.5 | -17.2 | 32.1 | 0 | 0 | 0 | 111 | L38 T39 E42 M83 F276 L277 L280 | L38-P44 WeakPolarHBondContact O-CA 3.43Å; T39-P44 HydrophobicContact CG2-CB 4.32Å; T39-P44 HydrophobicContact CG2-CG 4.3Å; E42-P44 WeakPolarHBondContact O-CD 3.4Å; P44-M83 HydrophobicContact CB-SD 3.62Å; P44-F276 HydrophobicContact CB-CB 4.24Å; P44-L277 HydrophobicContact CG-CB 4.41Å; P44-L277 HydrophobicContact CG-CD1 4.22Å; P44-L280 HydrophobicContact CB-CD2 4.03Å; P44-L280 HydrophobicContact CG-CB 4.02Å; P44-L280 HydrophobicContact CG-CD2 3.51Å; P44-L280 HydrophobicContact CG-CG 4.38Å |
| 45 | I | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156.8 | -178.8 | 63.5 | 169.7 | 0 | 0 | 0 | 109.8 | V21 L38 H40 D50 V51 V262 | V21-I45 HydrophobicContact CG1-CD1 3.96Å; V21-I45 HydrophobicContact CG2-CD1 4.22Å; L38-I45 HydrophobicContact CB-CD1 4.21Å; L38-I45 HydrophobicContact CB-CG1 3.78Å; L38-I45 PolarHBondContact O-N 3.28Å; H40-I45 HydrophobicContact CB-CD1 4.36Å; H40-I45 HydrophobicContact CB-CG2 4.08Å; I45-D50 HydrophobicContact CB-CB 3.71Å; I45-D50 HydrophobicContact CG2-CB 4.32Å; I45-V51 HydrophobicContact CD1-CG2 4.02Å; I45-V262 HydrophobicContact CB-CG2 4.39Å; I45-V262 HydrophobicContact CG2-CG2 3.83Å |
| 46 | S | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -71.8 | 127 | 171 | 166.3 | 0 | 0 | 0 | 0 | 111.1 | F48 H49 D50 M83 N84 | S46-F48 PolarHBondContact O-N 3.34Å; S46-F48 PolarHBondContact OG-N 3.45Å; S46-H49 WeakPolarHBondContact OG-CB 3.29Å; S46-H49 PolarHBondContact OG-N 3.15Å; S46-D50 VanDerWaalsContact CB-OD2 3.31Å; S46-D50 WeakPolarHBondContact CB-OD2 3.05Å; S46-D50 PolarHBondContact N-OD2 2.91Å; S46-D50 WeakPolarHBondContact O-CB 3.25Å; S46-D50 PolarHBondContact O-N 2.84Å; S46-D50 VanDerWaalsContact O-N 3.07Å; S46-M83 VanDerWaalsContact CA-O 3.27Å; S46-M83 WeakPolarHBondContact CA-O 3.48Å; S46-N84 PolarHBondContact OG-OD1 2.69Å | ||
| 47 | C | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -41.6 | 171.4 | -50.9 | 0 | 0 | 0 | 0 | 110.7 | L38 I64 I77 M83 N84 | L38-C47 HydrophobicContact CD1-CB 4.01Å; C47-I64 HydrophobicContact CB-CD1 3.9Å; C47-I64 WeakPolarHBondContact O-CD1 3.45Å; C47-I77 HydrophobicContact CB-CD1 4.3Å; C47-I77 HydrophobicContact CB-CG1 4.12Å; C47-I77 HydrophobicContact CB-CG2 4.47Å; C47-M83 PolarHBondContact N-O 2.92Å; C47-M83 VanDerWaalsContact N-O 3.14Å; C47-N84 WeakPolarHBondContact CB-O 3.32Å; C47-N84 PolarHBondContact SG-O 2.66Å |
| 48 | F | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -39.4 | -174.8 | -171 | -171 | 0 | 0 | 0 | 112.5 | S46 I77 N84 Q116 T117 W118 P136 W244 L247 I257 | S46-F48 PolarHBondContact O-N 3.34Å; S46-F48 PolarHBondContact OG-N 3.45Å; F48-I77 HydrophobicContact CB-CG2 3.94Å; F48-I77 HydrophobicContact CG-CG2 4.48Å; F48-N84 HydrophobicContact CB-CB 3.7Å; F48-Q116 PolarHBondContact O-N 2.96Å; F48-T117 WeakPolarHBondContact CE2-O 3.37Å; F48-W118 HydrophobicContact CZ-CB 4.22Å; F48-W118 HydrophobicContact CZ-CG 4.44Å; F48-P136 HydrophobicContact CD2-CB 4.27Å; F48-P136 HydrophobicContact CD2-CG 3.73Å; F48-P136 HydrophobicContact CE1-CG 4.44Å; F48-P136 HydrophobicContact CE2-CB 4.02Å; F48-P136 HydrophobicContact CE2-CG 3.65Å; F48-P136 HydrophobicContact CG-CG 4.3Å; F48-P136 HydrophobicContact CZ-CG 3.99Å; F48-W244 AromaticContact CE2-CD1 3.78Å; F48-L247 HydrophobicContact CE1-CD2 4.36Å; F48-L247 HydrophobicContact CZ-CD2 4.22Å; F48-I257 HydrophobicContact CD1-CG2 4.48Å; F48-I257 HydrophobicContact CE1-CG2 4.03Å |
| 49 | H | 98.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -36.3 | -163.9 | -59.4 | -31.7 | 0 | 0 | 0 | 114.7 | S46 Q116 W244 I258 R259 N261 V264 | S46-H49 WeakPolarHBondContact OG-CB 3.29Å; S46-H49 PolarHBondContact OG-N 3.15Å; H49-Q116 WeakPolarHBondContact O-CG 3.43Å; H49-Q116 PolarHBondContact O-NE2 3.27Å; H49-W244 AromaticContact CE1-NE1 3.71Å; H49-W244 AromaticContact ND1-CD1 3.97Å; H49-W244 AromaticContact ND1-NE1 3.1Å; H49-W244 PolarHBondContact ND1-NE1 3.39Å; H49-W244 VanDerWaalsContact ND1-NE1 3.1Å; H49-I258 PolarHBondContact NE2-O 2.9Å; H49-I258 VanDerWaalsContact NE2-O 3.11Å; H49-R259 WeakPolarHBondContact NE2-CA 3.48Å; H49-N261 HydrophobicContact CB-CB 3.91Å; H49-V264 HydrophobicContact CB-CG2 4.35Å; H49-V264 WeakPolarHBondContact O-CG2 2.91Å |
| 50 | D | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -24.7 | -170.3 | -72.8 | -51.8 | 0 | 0 | 0 | 113 | L16 I45 S46 P52 N261 V262 T263 | L16-D50 WeakPolarHBondContact CD1-O 3.36Å; I45-D50 HydrophobicContact CB-CB 3.71Å; I45-D50 HydrophobicContact CG2-CB 4.32Å; S46-D50 VanDerWaalsContact CB-OD2 3.31Å; S46-D50 WeakPolarHBondContact CB-OD2 3.05Å; S46-D50 PolarHBondContact N-OD2 2.91Å; S46-D50 WeakPolarHBondContact O-CB 3.25Å; S46-D50 PolarHBondContact O-N 2.84Å; S46-D50 VanDerWaalsContact O-N 3.07Å; D50-P52 WeakPolarHBondContact O-CD 3.34Å; D50-N261 WeakPolarHBondContact OD1-CB 3.39Å; D50-N261 WeakPolarHBondContact OD2-CA 3.48Å; D50-V262 PolarHBondContact OD1-N 3.42Å; D50-V262 WeakPolarHBondContact OD2-CG2 3.45Å; D50-V262 PolarHBondContact OD2-N 3.5Å; D50-V262 VanDerWaalsContact OD2-N 3.15Å; D50-T263 WeakPolarHBondContact CA-OG1 3.36Å; D50-T263 HydrophobicContact CB-CG2 4.45Å; D50-T263 PolarHBondContact O-OG1 3.03Å; D50-T263 PolarHBondContact OD1-N 2.82Å; D50-T263 PolarHBondContact OD1-OG1 2.81Å |
| 51 | V | 96.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -70.2 | 121.5 | 173.8 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | M18 L38 I45 L53 N62 I64 P115 Q116 I152 | M18-V51 HydrophobicContact SD-CG1 4.21Å; L38-V51 HydrophobicContact CD1-CG2 3.86Å; I45-V51 HydrophobicContact CD1-CG2 4.02Å; V51-L53 PolarHBondContact O-N 2.77Å; V51-N62 HydrophobicContact CG1-CB 4.23Å; V51-I64 HydrophobicContact CB-CD1 4.25Å; V51-I64 HydrophobicContact CG2-CD1 3.97Å; V51-P115 HydrophobicContact CB-CB 3.82Å; V51-P115 HydrophobicContact CB-CG 3.85Å; V51-P115 HydrophobicContact CG1-CB 4.24Å; V51-P115 HydrophobicContact CG1-CG 3.69Å; V51-P115 WeakPolarHBondContact O-CB 3.38Å; V51-Q116 VanDerWaalsContact O-CD 3.3Å; V51-Q116 WeakPolarHBondContact O-CG 3.4Å; V51-Q116 PolarHBondContact O-NE2 3.45Å; V51-I152 HydrophobicContact CG1-CG2 4.11Å |
| 52 | P | 95.9 | Very high | 92.8 | Very high | 19 Ų | 19 | 43.8 Ų | 43.8 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | trans | -63.9 | 135.6 | 179.3 | -20.7 | 33.3 | 0 | 0 | 0 | 111.5 | V13 M18 D50 L54 N62 | V13-P52 HydrophobicContact CG1-CG 4.13Å; M18-P52 VanDerWaalsContact CE-CD 3.44Å; M18-P52 HydrophobicContact CE-CG 3.98Å; D50-P52 WeakPolarHBondContact O-CD 3.34Å; P52-L54 VanDerWaalsContact C-N 3.34Å; P52-L54 PolarHBondContact O-N 3.15Å; P52-N62 WeakPolarHBondContact O-CB 3.37Å; P52-N62 PolarHBondContact O-ND2 3.37Å | ||
| 53 | L | 97.2 | Very high | 93.3 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -57.1 | -46.9 | 174.2 | 172.9 | 58.9 | 0 | 0 | 0 | 112.4 | V51 Y61 N62 L114 P115 Q116 T117 I237 H241 | V51-L53 PolarHBondContact O-N 2.77Å; L53-Y61 HydrophobicContact CD1-CD1 3.59Å; L53-Y61 HydrophobicContact CD1-CE1 4.21Å; L53-Y61 HydrophobicContact CD2-CE1 4.41Å; L53-Y61 HydrophobicContact CG-CD1 3.8Å; L53-Y61 HydrophobicContact CG-CE1 4.15Å; L53-Y61 CarbonylContact O-C 3.53Å; L53-Y61 VanDerWaalsContact O-CA 3.26Å; L53-Y61 WeakPolarHBondContact O-CA 3.18Å; L53-N62 PolarHBondContact O-N 2.82Å; L53-L114 HydrophobicContact CD1-CB 3.74Å; L53-L114 HydrophobicContact CD1-CD1 4.01Å; L53-L114 HydrophobicContact CD1-CG 4.39Å; L53-P115 WeakPolarHBondContact CD1-O 3.45Å; L53-Q116 HydrophobicContact CB-CB 4.21Å; L53-T117 HydrophobicContact CD1-CG2 3.81Å; L53-T117 HydrophobicContact CD2-CG2 4.18Å; L53-I237 HydrophobicContact CD1-CG2 4.22Å; L53-I237 HydrophobicContact CD2-CG2 4.2Å; L53-H241 HydrophobicContact CD2-CB 3.7Å |
| 54 | L | 95.2 | Very high | 93.5 | Very high | 98 Ų | 98 | 34.1 Ų | 34.1 | 51% | 0.513 | 18% | 0.181 | S | C | . | . | B | Isolated β-bridge | trans | -96.3 | 144.1 | -178.2 | -67.2 | 170.5 | 0 | 0 | 0 | 110.7 | P52 Y61 N62 | P52-L54 VanDerWaalsContact C-N 3.34Å; P52-L54 PolarHBondContact O-N 3.15Å; L54-Y61 HydrophobicContact CD2-CD1 3.7Å; L54-Y61 HydrophobicContact CD2-CE1 3.51Å; L54-Y61 HydrophobicContact CD2-CG 4.4Å; L54-N62 PolarHBondContact O-ND2 3.19Å |
| 55 | T | 91.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 14% | 0.135 | 18% | 0.181 | C | C | . | . | trans | -75.7 | 166.9 | 168 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | T57 Y60 N62 P154 | T55-T57 PolarHBondContact O-N 2.86Å; T55-T57 PolarHBondContact OG1-O 3.34Å; T55-T57 PolarHBondContact OG1-OG1 3.45Å; T55-Y60 PolarHBondContact N-O 3.33Å; T55-Y60 VanDerWaalsContact N-O 3.16Å; T55-Y60 WeakPolarHBondContact OG1-CB 3.32Å; T55-Y60 PolarHBondContact OG1-O 2.99Å; T55-Y60 VanDerWaalsContact OG1-O 3.14Å; T55-N62 WeakPolarHBondContact CG2-OD1 3.47Å; T55-P154 HydrophobicContact CG2-CB 3.87Å | ||
| 56 | D | 83.2 | Confident | 93.7 | Very high | 131 Ų | 131 | 34.5 Ų | 34.5 | 70% | 0.701 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -64.6 | -21.3 | 171.8 | -64.4 | -35.4 | 0 | 0 | 0 | 113 | ||
| 57 | T | 76.6 | Confident | 93.7 | Very high | 80 Ų | 80 | 34.6 Ų | 34.6 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -82.6 | 126.6 | 170.7 | 41.6 | 0 | 0 | 0 | 0 | 110.6 | T55 N59 | T55-T57 PolarHBondContact O-N 2.86Å; T55-T57 PolarHBondContact OG1-O 3.34Å; T55-T57 PolarHBondContact OG1-OG1 3.45Å; T57-N59 PolarHBondContact O-N 2.9Å |
| 58 | N | 71.3 | Confident | 93.7 | Very high | 145 Ų | 145 | 35.5 Ų | 35.5 | 78% | 0.775 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 133.1 | 175.5 | -71.7 | -24.8 | 0 | 0 | 0 | 110.5 | ||
| 59 | N | 82.8 | Confident | 93.7 | Very high | 123 Ų | 123 | 37.5 Ų | 37.5 | 66% | 0.658 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 5.1 | 174.9 | -44.4 | -50.8 | 0 | 0 | 0 | 118.3 | T57 | T57-N59 PolarHBondContact O-N 2.9Š|
| 60 | Y | 95.7 | Very high | 93.7 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 24% | 0.235 | 22% | 0.218 | C | C | . | . | trans | -110.3 | 153.6 | 169.2 | -59.1 | -81.3 | 0 | 0 | 0 | 111.7 | T55 V155 K156 A178 | T55-Y60 PolarHBondContact N-O 3.33Å; T55-Y60 VanDerWaalsContact N-O 3.16Å; T55-Y60 WeakPolarHBondContact OG1-CB 3.32Å; T55-Y60 PolarHBondContact OG1-O 2.99Å; T55-Y60 VanDerWaalsContact OG1-O 3.14Å; Y60-V155 WeakPolarHBondContact CA-O 3.21Å; Y60-K156 HydrophobicContact CD1-CB 3.9Å; Y60-K156 HydrophobicContact CD1-CG 4.46Å; Y60-K156 HydrophobicContact CE1-CB 3.72Å; Y60-K156 HydrophobicContact CE1-CD 4.07Å; Y60-K156 HydrophobicContact CE1-CG 4.12Å; Y60-A178 HydrophobicContact CD1-CB 3.71Å; Y60-A178 HydrophobicContact CE1-CB 3.47Å; Y60-A178 VanDerWaalsContact CE1-CB 3.47Å; Y60-A178 HydrophobicContact CG-CB 4.34Å | ||
| 61 | Y | 97.8 | Very high | 93.7 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 149.5 | 177 | -62.3 | -91.5 | 0 | 0 | 0 | 109.4 | L53 L54 L114 P154 V155 V157 T234 I237 | L53-Y61 HydrophobicContact CD1-CD1 3.59Å; L53-Y61 HydrophobicContact CD1-CE1 4.21Å; L53-Y61 HydrophobicContact CD2-CE1 4.41Å; L53-Y61 HydrophobicContact CG-CD1 3.8Å; L53-Y61 HydrophobicContact CG-CE1 4.15Å; L53-Y61 CarbonylContact O-C 3.53Å; L53-Y61 VanDerWaalsContact O-CA 3.26Å; L53-Y61 WeakPolarHBondContact O-CA 3.18Å; L54-Y61 HydrophobicContact CD2-CD1 3.7Å; L54-Y61 HydrophobicContact CD2-CE1 3.51Å; L54-Y61 HydrophobicContact CD2-CG 4.4Å; Y61-L114 HydrophobicContact CD1-CD1 4.28Å; Y61-L114 HydrophobicContact CG-CD1 4.39Å; Y61-P154 CarbonylContact O-C 3.56Å; Y61-P154 WeakPolarHBondContact O-CA 3.2Å; Y61-V155 PolarHBondContact N-O 3.2Å; Y61-V155 WeakPolarHBondContact O-CG2 3.26Å; Y61-V155 PolarHBondContact O-N 3.39Å; Y61-V157 HydrophobicContact CD2-CG2 3.5Å; Y61-V157 HydrophobicContact CE2-CB 4.45Å; Y61-V157 HydrophobicContact CE2-CG2 3.53Å; Y61-V157 HydrophobicContact CG-CG2 4.49Å; Y61-T234 WeakPolarHBondContact OH-CG2 3.44Å; Y61-I237 HydrophobicContact CD1-CG2 4.13Å; Y61-I237 HydrophobicContact CE1-CG2 3.56Å; Y61-I237 HydrophobicContact CE2-CD1 4.41Å |
| 62 | N | 97.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.2 | 164.4 | -68.6 | -56.9 | 0 | 0 | 0 | 108.2 | V51 P52 L53 L54 T55 L114 P115 I152 | V51-N62 HydrophobicContact CG1-CB 4.23Å; P52-N62 WeakPolarHBondContact O-CB 3.37Å; P52-N62 PolarHBondContact O-ND2 3.37Å; L53-N62 PolarHBondContact O-N 2.82Å; L54-N62 PolarHBondContact O-ND2 3.19Å; T55-N62 WeakPolarHBondContact CG2-OD1 3.47Å; N62-L114 WeakPolarHBondContact O-CD2 3.4Å; N62-P115 WeakPolarHBondContact O-CD 3.43Å; N62-I152 HydrophobicContact CB-CG2 3.94Å |
| 63 | M | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.1 | 167.8 | 173.9 | -171.6 | 175.4 | 0 | 0 | 109 | V65 L114 V139 E141 I152 I153 V155 V175 | M63-V65 HydrophobicContact CE-CG2 4.34Å; M63-L114 HydrophobicContact CB-CD2 4.22Å; M63-V139 HydrophobicContact CE-CB 4.02Å; M63-V139 HydrophobicContact CE-CG1 4.07Å; M63-V139 WeakPolarHBondContact CE-O 3.24Å; M63-V139 HydrophobicContact CG-CB 4.25Å; M63-V139 HydrophobicContact CG-CG1 4.15Å; M63-V139 HydrophobicContact SD-CB 4.05Å; M63-V139 HydrophobicContact SD-CG1 3.57Å; M63-V139 VanDerWaalsContact SD-CG1 3.57Å; M63-E141 HydrophobicContact CE-CB 4.12Å; M63-E141 HydrophobicContact SD-CB 3.65Å; M63-E141 HydrophobicContact SD-CG 4.38Å; M63-I152 WeakPolarHBondContact O-CA 3.31Å; M63-I153 HydrophobicContact CB-CG1 4.09Å; M63-I153 PolarHBondContact N-O 2.91Å; M63-I153 PolarHBondContact O-N 3.38Å; M63-I153 HydrophobicContact SD-CD1 4.24Å; M63-I153 HydrophobicContact SD-CG1 4.48Å; M63-V155 HydrophobicContact CB-CG1 3.87Å; M63-V155 HydrophobicContact CB-CG2 3.87Å; M63-V155 HydrophobicContact SD-CG1 4.25Å; M63-V175 HydrophobicContact SD-CG2 4.19Å |
| 64 | I | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 118 | 167.4 | -47.8 | -157.6 | 0 | 0 | 0 | 107.7 | L38 C47 V51 I77 I86 G112 A113 P115 I152 | L38-I64 HydrophobicContact CD1-CD1 4.19Å; C47-I64 HydrophobicContact CB-CD1 3.9Å; C47-I64 WeakPolarHBondContact O-CD1 3.45Å; V51-I64 HydrophobicContact CB-CD1 4.25Å; V51-I64 HydrophobicContact CG2-CD1 3.97Å; I64-I77 HydrophobicContact CB-CD1 4.21Å; I64-I77 HydrophobicContact CD1-CD1 4.04Å; I64-I77 HydrophobicContact CG1-CD1 4.47Å; I64-I77 HydrophobicContact CG2-CD1 4.27Å; I64-I86 HydrophobicContact CG2-CD1 3.79Å; I64-G112 VanDerWaalsContact O-CA 3.28Å; I64-G112 WeakPolarHBondContact O-CA 3.44Å; I64-A113 PolarHBondContact N-O 3.35Å; I64-A113 PolarHBondContact O-N 2.89Å; I64-A113 VanDerWaalsContact O-N 3.14Å; I64-P115 HydrophobicContact CD1-CB 4.03Å; I64-P115 HydrophobicContact CD1-CG 4.44Å; I64-P115 HydrophobicContact CG1-CB 4.32Å; I64-P115 HydrophobicContact CG1-CG 4.29Å; I64-I152 HydrophobicContact CB-CD1 3.97Å; I64-I152 HydrophobicContact CD1-CD1 3.94Å; I64-I152 HydrophobicContact CG1-CD1 3.6Å; I64-I152 HydrophobicContact CG2-CD1 3.86Å |
| 65 | V | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 124 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | M63 N110 W147 P149 G150 S151 I153 | M63-V65 HydrophobicContact CE-CG2 4.34Å; V65-N110 HydrophobicContact CG1-CB 4.23Å; V65-W147 HydrophobicContact CB-CB 4.37Å; V65-W147 HydrophobicContact CG1-CB 4.08Å; V65-W147 HydrophobicContact CG2-CB 3.88Å; V65-W147 HydrophobicContact CG2-CG 4.43Å; V65-P149 CarbonylContact O-C 3.58Å; V65-P149 WeakPolarHBondContact O-CA 3.14Å; V65-G150 PolarHBondContact O-N 2.98Å; V65-S151 PolarHBondContact N-O 3.38Å; V65-I153 HydrophobicContact CG2-CD1 3.75Å; V65-I153 HydrophobicContact CG2-CG1 4.03Å |
| 66 | E | 98.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -43.4 | 177.2 | -60.2 | 173.7 | 140.6 | 0 | 0 | 110.8 | M75 E76 I77 I86 Y111 G112 P149 | E66-M75 HydrophobicContact CB-CB 4.39Å; E66-M75 WeakPolarHBondContact O-CB 3.2Å; E66-E76 WeakPolarHBondContact OE1-CA 3.2Å; E66-I77 HydrophobicContact CG-CG1 4.46Å; E66-I77 WeakPolarHBondContact OE1-CB 3.26Å; E66-I77 VanDerWaalsContact OE1-CG1 3.23Å; E66-I77 WeakPolarHBondContact OE1-CG1 3.28Å; E66-I77 PolarHBondContact OE1-N 2.69Å; E66-I86 HydrophobicContact CB-CG2 4.28Å; E66-I86 HydrophobicContact CG-CD1 4.41Å; E66-I86 HydrophobicContact CG-CG1 4.49Å; E66-I86 HydrophobicContact CG-CG2 4.39Å; E66-Y111 PolarHBondContact N-O 2.95Å; E66-G112 WeakPolarHBondContact OE2-CA 3.35Å; E66-P149 WeakPolarHBondContact O-CB 3.39Å |
| 67 | I | 98.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 115.6 | -173.3 | -51.5 | 171.5 | 0 | 0 | 0 | 109.5 | T71 M75 Y107 Y111 | I67-T71 VanDerWaalsContact CG2-OG1 3.25Å; I67-T71 WeakPolarHBondContact CG2-OG1 3.48Å; I67-M75 WeakPolarHBondContact CD1-O 3.33Å; I67-M75 HydrophobicContact CG1-CB 3.84Å; I67-M75 HydrophobicContact CG1-CG 4.42Å; I67-M75 WeakPolarHBondContact CG1-O 3.12Å; I67-Y107 HydrophobicContact CB-CD2 4.43Å; I67-Y107 HydrophobicContact CD1-CD1 4.37Å; I67-Y107 HydrophobicContact CD1-CD2 3.98Å; I67-Y107 HydrophobicContact CD1-CE1 3.84Å; I67-Y107 HydrophobicContact CD1-CE2 3.42Å; I67-Y107 VanDerWaalsContact CD1-CE2 3.42Å; I67-Y107 HydrophobicContact CD1-CG 4.43Å; I67-Y107 WeakPolarHBondContact CD1-OH 3.35Å; I67-Y107 HydrophobicContact CG2-CD2 3.62Å; I67-Y107 HydrophobicContact CG2-CE2 4.12Å; I67-Y107 HydrophobicContact CG2-CG 3.97Å; I67-Y111 HydrophobicContact CD1-CD1 4.14Å; I67-Y111 PolarHBondContact N-O 3.1Å; I67-Y111 PolarHBondContact O-N 3.47Å |
| 68 | P | 98.7 | Very high | 96.1 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | trans | -64.1 | 145.5 | 174.8 | -22.1 | 33.1 | 0 | 0 | 0 | 111.3 | W70 T71 I146 W147 P149 | P68-W70 PolarHBondContact O-N 2.93Å; P68-T71 HydrophobicContact CB-CG2 4.02Å; P68-T71 HydrophobicContact CG-CG2 4.49Å; P68-T71 WeakPolarHBondContact O-CB 3.24Å; P68-T71 PolarHBondContact O-N 2.87Å; P68-T71 PolarHBondContact O-OG1 3.13Å; P68-I146 HydrophobicContact CB-CG2 3.79Å; P68-W147 VanDerWaalsContact CB-O 3.29Å; P68-W147 WeakPolarHBondContact CB-O 3.35Å; P68-W147 WeakPolarHBondContact CG-O 3.28Å; P68-P149 HydrophobicContact CG-CG 3.82Å | ||
| 69 | R | 98.5 | Very high | 97.4 | Very high | 43 Ų | 43 | 29.2 Ų | 29.2 | 16% | 0.162 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 140.1 | 173.9 | -170.9 | 172.6 | 64.6 | -162.2 | -8.2 | 112 | T71 I108 W109 N110 G143 S144 I146 | R69-T71 VanDerWaalsContact C-N 3.28Å; R69-T71 PolarHBondContact O-N 2.95Å; R69-I108 WeakPolarHBondContact CD-O 3.29Å; R69-I108 VanDerWaalsContact CG-C 3.5Å; R69-W109 WeakPolarHBondContact CA-O 3.45Å; R69-W109 VanDerWaalsContact CB-C 3.46Å; R69-W109 WeakPolarHBondContact CB-O 3.42Å; R69-W109 PolarHBondContact N-O 3.36Å; R69-N110 PolarHBondContact N-OD1 3.22Å; R69-N110 VanDerWaalsContact N-OD1 3.13Å; R69-G143 PolarHBondContact NH1-O 3.3Å; R69-S144 PolarHBondContact NH2-O 3.14Å; R69-I146 HydrophobicContact CB-CG1 4.37Å |
| 70 | W | 97.6 | Very high | 98.1 | Very high | 117 Ų | 117 | 27 Ų | 27 | 44% | 0.443 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 12.1 | -178 | -44.1 | 129.5 | 0 | 0 | 0 | 115.8 | P68 Y107 I108 | P68-W70 PolarHBondContact O-N 2.93Å; W70-Y107 WeakPolarHBondContact CA-O 3.48Å; W70-Y107 PolarHBondContact N-O 3.01Å; W70-I108 HydrophobicContact CE3-CB 4.32Å; W70-I108 HydrophobicContact CE3-CG2 4.32Å; W70-I108 HydrophobicContact CH2-CB 3.83Å; W70-I108 HydrophobicContact CH2-CG2 4.36Å; W70-I108 VanDerWaalsContact CZ3-CA 3.44Å; W70-I108 HydrophobicContact CZ3-CB 3.44Å; W70-I108 VanDerWaalsContact CZ3-CB 3.44Å; W70-I108 HydrophobicContact CZ3-CG2 3.56Å |
| 71 | T | 97.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 26.2 Ų | 26.2 | 32% | 0.319 | 12% | 0.124 | S | C | . | . | trans | -108.4 | 159 | 172.3 | 74.5 | 0 | 0 | 0 | 0 | 110.6 | I67 P68 R69 G106 Y107 | I67-T71 VanDerWaalsContact CG2-OG1 3.25Å; I67-T71 WeakPolarHBondContact CG2-OG1 3.48Å; P68-T71 HydrophobicContact CB-CG2 4.02Å; P68-T71 HydrophobicContact CG-CG2 4.49Å; P68-T71 WeakPolarHBondContact O-CB 3.24Å; P68-T71 PolarHBondContact O-N 2.87Å; P68-T71 PolarHBondContact O-OG1 3.13Å; R69-T71 VanDerWaalsContact C-N 3.28Å; R69-T71 PolarHBondContact O-N 2.95Å; T71-G106 CarbonylContact O-C 3.56Å; T71-G106 VanDerWaalsContact O-CA 3.25Å; T71-G106 WeakPolarHBondContact O-CA 3.36Å; T71-Y107 WeakPolarHBondContact O-CD2 3.32Å; T71-Y107 PolarHBondContact O-N 3.43Å | ||
| 72 | N | 97.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 8% | 0.075 | 14% | 0.136 | C | C | . | . | trans | -130 | 4.3 | -173.7 | 68.7 | -24 | 0 | 0 | 0 | 115 | K74 Y97 V98 I297 | N72-K74 PolarHBondContact O-N 3.31Å; N72-Y97 CarbonylContact O-C 3.54Å; N72-Y97 WeakPolarHBondContact O-CA 3.45Å; N72-V98 WeakPolarHBondContact CB-O 3.34Å; N72-V98 PolarHBondContact ND2-O 2.59Å; N72-V98 PolarHBondContact O-N 2.78Å; N72-I297 PolarHBondContact ND2-O 2.91Å | ||
| 73 | A | 97.9 | Very high | 98.2 | Very high | 21 Ų | 21 | 28 Ų | 28 | 17% | 0.174 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -65 | 121.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | M75 Y97 | A73-M75 VanDerWaalsContact C-N 3.31Å; A73-M75 HydrophobicContact CB-CG 4.35Å; A73-M75 HydrophobicContact CB-SD 4.41Å; A73-M75 PolarHBondContact O-N 3.38Å; A73-Y97 HydrophobicContact CB-CD1 4.12Å; A73-Y97 HydrophobicContact CB-CE1 3.86Å |
| 74 | K | 98 | Very high | 98.2 | Very high | 37 Ų | 37 | 28 Ų | 28 | 16% | 0.161 | 14% | 0.135 | C | C | . | . | trans | -76.8 | 86.3 | 179.3 | -170.2 | -178.7 | -174.1 | -102.3 | 0 | 109.1 | N72 E76 Q88 D89 R96 V98 | N72-K74 PolarHBondContact O-N 3.31Å; K74-E76 IonicContact NZ-OE2 3.78Å; K74-E76 PolarHBondContact NZ-OE2 2.88Å; K74-Q88 CarbonylContact O-C 3.56Å; K74-Q88 VanDerWaalsContact O-CA 3.32Å; K74-Q88 WeakPolarHBondContact O-CA 3.47Å; K74-Q88 WeakPolarHBondContact O-CG 3.46Å; K74-D89 HydrophobicContact CB-CB 4.23Å; K74-D89 HydrophobicContact CD-CB 3.92Å; K74-D89 HydrophobicContact CG-CB 4.14Å; K74-D89 IonicContact NZ-OD2 2.6Å; K74-D89 PolarHBondContact O-N 2.78Å; K74-R96 HydrophobicContact CB-CB 4.39Å; K74-R96 HydrophobicContact CB-CG 4.37Å; K74-R96 PolarHBondContact N-O 3.22Å; K74-V98 HydrophobicContact CB-CG2 4.41Å | ||
| 75 | M | 98.7 | Very high | 98.2 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 7% | 0.069 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 139.9 | 174.1 | -55.5 | -62.4 | -66.2 | 0 | 0 | 109.6 | Y34 I36 E66 I67 A73 I86 K87 Q88 | Y34-M75 HydrophobicContact CD1-CE 4Å; Y34-M75 HydrophobicContact CE1-CE 3.91Å; I36-M75 HydrophobicContact CD1-CE 4.46Å; E66-M75 HydrophobicContact CB-CB 4.39Å; E66-M75 WeakPolarHBondContact O-CB 3.2Å; I67-M75 WeakPolarHBondContact CD1-O 3.33Å; I67-M75 HydrophobicContact CG1-CB 3.84Å; I67-M75 HydrophobicContact CG1-CG 4.42Å; I67-M75 WeakPolarHBondContact CG1-O 3.12Å; A73-M75 VanDerWaalsContact C-N 3.31Å; A73-M75 HydrophobicContact CB-CG 4.35Å; A73-M75 HydrophobicContact CB-SD 4.41Å; A73-M75 PolarHBondContact O-N 3.38Å; M75-I86 HydrophobicContact CB-CG2 3.9Å; M75-I86 HydrophobicContact CE-CG2 4.16Å; M75-K87 CarbonylContact C-O 3.55Å; M75-K87 VanDerWaalsContact CA-O 3.31Å; M75-K87 WeakPolarHBondContact CA-O 3.46Å; M75-Q88 HydrophobicContact CE-CB 4.48Å; M75-Q88 HydrophobicContact SD-CB 3.53Å; M75-Q88 VanDerWaalsContact SD-CB 3.53Å; M75-Q88 HydrophobicContact SD-CG 3.95Å |
| 76 | E | 98.2 | Very high | 98.2 | Very high | 46 Ų | 46 | 28.1 Ų | 28.1 | 22% | 0.215 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 149.9 | -178.1 | 64.2 | -164.8 | -170.7 | 0 | 0 | 110.9 | E66 K74 C78 I86 K87 | E66-E76 WeakPolarHBondContact OE1-CA 3.2Å; K74-E76 IonicContact NZ-OE2 3.78Å; K74-E76 PolarHBondContact NZ-OE2 2.88Å; E76-C78 PolarHBondContact O-N 2.74Å; E76-I86 CarbonylContact O-C 3.59Å; E76-I86 VanDerWaalsContact O-CA 3.28Å; E76-I86 WeakPolarHBondContact O-CA 3.48Å; E76-K87 PolarHBondContact N-O 3.01Å; E76-K87 PolarHBondContact O-N 3.11Å |
| 77 | I | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.036 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 116.1 | 166.3 | -72.1 | 164.5 | 0 | 0 | 0 | 107.9 | C47 F48 I64 E66 K79 N84 I86 A113 | C47-I77 HydrophobicContact CB-CD1 4.3Å; C47-I77 HydrophobicContact CB-CG1 4.12Å; C47-I77 HydrophobicContact CB-CG2 4.47Å; F48-I77 HydrophobicContact CB-CG2 3.94Å; F48-I77 HydrophobicContact CG-CG2 4.48Å; I64-I77 HydrophobicContact CB-CD1 4.21Å; I64-I77 HydrophobicContact CD1-CD1 4.04Å; I64-I77 HydrophobicContact CG1-CD1 4.47Å; I64-I77 HydrophobicContact CG2-CD1 4.27Å; E66-I77 HydrophobicContact CG-CG1 4.46Å; E66-I77 WeakPolarHBondContact OE1-CB 3.26Å; E66-I77 VanDerWaalsContact OE1-CG1 3.23Å; E66-I77 WeakPolarHBondContact OE1-CG1 3.28Å; E66-I77 PolarHBondContact OE1-N 2.69Å; I77-K79 PolarHBondContact O-N 3.2Å; I77-N84 HydrophobicContact CG2-CB 3.94Å; I77-I86 HydrophobicContact CG1-CG1 3.98Å; I77-A113 HydrophobicContact CD1-CB 4.44Å |
| 78 | C | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | trans | -81.7 | 108.9 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | E76 E80 E81 N84 P85 K87 | E76-C78 PolarHBondContact O-N 2.74Å; C78-E80 PolarHBondContact O-N 3.13Å; C78-E80 PolarHBondContact SG-OE2 2.74Å; C78-E81 HydrophobicContact CB-CB 4.41Å; C78-N84 WeakPolarHBondContact O-CA 3.43Å; C78-N84 WeakPolarHBondContact O-CB 3.16Å; C78-N84 PolarHBondContact O-ND2 3.49Å; C78-P85 WeakPolarHBondContact CB-O 3.31Å; C78-P85 PolarHBondContact N-O 3.49Å; C78-K87 HydrophobicContact CB-CD 3.86Å; C78-K87 HydrophobicContact CB-CG 4.01Å; C78-K87 WeakPolarHBondContact SG-CE 3.31Å; C78-K87 PolarHBondContact SG-NZ 3.07Å | ||
| 79 | K | 97.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.7 | -179.9 | -37.7 | -173.4 | -68.1 | -71.2 | 0 | 112.7 | I77 N84 N134 D135 I257 I258 | I77-K79 PolarHBondContact O-N 3.2Å; K79-N84 PolarHBondContact O-ND2 3.46Å; K79-N134 WeakPolarHBondContact CD-O 3.42Å; K79-N134 WeakPolarHBondContact CE-O 3.35Å; K79-D135 VanDerWaalsContact CD-OD1 3.3Å; K79-D135 WeakPolarHBondContact CD-OD1 3.35Å; K79-D135 WeakPolarHBondContact CE-OD1 3.4Å; K79-D135 IonicContact NZ-OD1 3.31Å; K79-D135 PolarHBondContact NZ-OD1 3.49Å; K79-I257 HydrophobicContact CB-CB 4.43Å; K79-I257 HydrophobicContact CB-CG1 3.97Å; K79-I257 HydrophobicContact CB-CG2 4.19Å; K79-I257 HydrophobicContact CD-CD1 4.08Å; K79-I257 HydrophobicContact CD-CG1 4.13Å; K79-I258 PolarHBondContact O-N 3.18Å |
| 80 | E | 97.7 | Very high | 98 | Very high | 75 Ų | 75 | 31.3 Ų | 31.3 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -0.3 | -170.2 | -58.6 | 73.4 | -158.2 | 0 | 0 | 113.7 | C78 I258 | C78-E80 PolarHBondContact O-N 3.13Å; C78-E80 PolarHBondContact SG-OE2 2.74Å; E80-I258 WeakPolarHBondContact O-CD1 2.95Å |
| 81 | E | 97.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 30.2 Ų | 30.2 | 21% | 0.206 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -116.3 | 148.5 | 178.7 | -73.8 | -178.2 | -145 | 0 | 0 | 112.1 | R35 C78 N84 P85 K87 | R35-E81 IonicContact CZ-OE1 2.62Å; R35-E81 IonicContact CZ-OE2 3.64Å; R35-E81 IonicContact NE-OE1 2.67Å; R35-E81 PolarHBondContact NE-OE1 2.75Å; R35-E81 IonicContact NE-OE2 3.72Å; R35-E81 PolarHBondContact NE-OE2 3.34Å; R35-E81 IonicContact NH2-OE1 3.8Å; R35-E81 PolarHBondContact NH2-OE1 2.82Å; R35-E81 IonicContact NH2-OE2 2.96Å; R35-E81 PolarHBondContact NH2-OE2 3.31Å; C78-E81 HydrophobicContact CB-CB 4.41Å; E81-N84 WeakPolarHBondContact O-CA 3.35Å; E81-N84 PolarHBondContact O-N 3.38Å; E81-N84 PolarHBondContact O-ND2 2.78Å; E81-P85 HydrophobicContact CB-CG 4.07Å; E81-K87 WeakPolarHBondContact OE1-CD 3.32Å; E81-K87 IonicContact OE1-NZ 3.73Å; E81-K87 PolarHBondContact OE1-NZ 3.02Å |
| 82 | L | 97.9 | Very high | 97.6 | Very high | 67 Ų | 67 | 34.6 Ų | 34.6 | 35% | 0.351 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 138.9 | 179.7 | -168.1 | 72.4 | 0 | 0 | 0 | 110.3 | N84 P85 I258 A260 F276 A279 | L82-N84 PolarHBondContact O-N 2.92Å; L82-P85 WeakPolarHBondContact O-CD 3.45Å; L82-I258 HydrophobicContact CD1-CG2 4.14Å; L82-A260 HydrophobicContact CD1-CB 3.62Å; L82-F276 HydrophobicContact CD1-CD1 4.48Å; L82-F276 HydrophobicContact CD1-CE1 3.73Å; L82-F276 HydrophobicContact CD2-CD1 4.32Å; L82-F276 HydrophobicContact CD2-CE1 4.34Å; L82-F276 HydrophobicContact CG-CD1 4.29Å; L82-F276 HydrophobicContact CG-CE1 3.85Å; L82-A279 HydrophobicContact CD2-CB 3.51Å |
| 83 | M | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 4.2 | -170.7 | -55.8 | 168.2 | -82.6 | 0 | 0 | 114.7 | F37 P44 S46 C47 F276 A279 L280 | F37-M83 HydrophobicContact CD1-CB 3.87Å; F37-M83 HydrophobicContact CD1-CE 3.84Å; F37-M83 HydrophobicContact CD1-SD 3.99Å; F37-M83 HydrophobicContact CE1-CB 4.16Å; F37-M83 HydrophobicContact CE1-CE 3.54Å; F37-M83 HydrophobicContact CE1-SD 4.3Å; F37-M83 HydrophobicContact CZ-CE 4.33Å; P44-M83 HydrophobicContact CB-SD 3.62Å; S46-M83 VanDerWaalsContact CA-O 3.27Å; S46-M83 WeakPolarHBondContact CA-O 3.48Å; C47-M83 PolarHBondContact N-O 2.92Å; C47-M83 VanDerWaalsContact N-O 3.14Å; M83-F276 HydrophobicContact CB-CE2 4.39Å; M83-F276 HydrophobicContact CG-CD1 3.94Å; M83-F276 HydrophobicContact CG-CD2 3.59Å; M83-F276 HydrophobicContact CG-CE1 3.95Å; M83-F276 HydrophobicContact CG-CE2 3.64Å; M83-F276 HydrophobicContact CG-CG 3.75Å; M83-F276 HydrophobicContact CG-CZ 3.82Å; M83-F276 HydrophobicContact SD-CB 4.36Å; M83-F276 HydrophobicContact SD-CD2 4.34Å; M83-F276 HydrophobicContact SD-CG 4.23Å; M83-A279 HydrophobicContact CE-CB 4.2Å; M83-L280 HydrophobicContact CE-CB 4Å; M83-L280 HydrophobicContact CE-CD1 4.48Å; M83-L280 HydrophobicContact SD-CB 4.1Å |
| 84 | N | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 45.2 | 56.7 | 179 | -49 | 103.8 | 0 | 0 | 0 | 113.4 | S46 C47 F48 I77 C78 K79 E81 L82 I258 | S46-N84 PolarHBondContact OG-OD1 2.69Å; C47-N84 WeakPolarHBondContact CB-O 3.32Å; C47-N84 PolarHBondContact SG-O 2.66Å; F48-N84 HydrophobicContact CB-CB 3.7Å; I77-N84 HydrophobicContact CG2-CB 3.94Å; C78-N84 WeakPolarHBondContact O-CA 3.43Å; C78-N84 WeakPolarHBondContact O-CB 3.16Å; C78-N84 PolarHBondContact O-ND2 3.49Å; K79-N84 PolarHBondContact O-ND2 3.46Å; E81-N84 WeakPolarHBondContact O-CA 3.35Å; E81-N84 PolarHBondContact O-N 3.38Å; E81-N84 PolarHBondContact O-ND2 2.78Å; L82-N84 PolarHBondContact O-N 2.92Å; N84-I258 PolarHBondContact ND2-O 3.46Å | ||
| 85 | P | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | trans | -63.2 | 153.8 | -177.9 | 26.5 | -34.8 | 0 | 0 | 0 | 111.6 | R35 I36 F37 C78 E81 L82 | R35-P85 HydrophobicContact CB-CB 4.05Å; R35-P85 HydrophobicContact CG-CB 4.38Å; R35-P85 HydrophobicContact CG-CG 4.34Å; I36-P85 CarbonylContact O-C 3.55Å; I36-P85 WeakPolarHBondContact O-CA 3.5Å; I36-P85 WeakPolarHBondContact O-CB 3.38Å; F37-P85 HydrophobicContact CD1-CB 3.72Å; F37-P85 HydrophobicContact CD1-CG 4.32Å; F37-P85 HydrophobicContact CE1-CB 3.53Å; F37-P85 HydrophobicContact CE1-CG 3.67Å; F37-P85 HydrophobicContact CE2-CB 4.37Å; F37-P85 HydrophobicContact CG-CB 4.22Å; F37-P85 HydrophobicContact CZ-CB 3.88Å; F37-P85 HydrophobicContact CZ-CG 3.99Å; C78-P85 WeakPolarHBondContact CB-O 3.31Å; C78-P85 PolarHBondContact N-O 3.49Å; E81-P85 HydrophobicContact CB-CG 4.07Å; L82-P85 WeakPolarHBondContact O-CD 3.45Å | ||
| 86 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 129.8 | 165.9 | -54.2 | 166 | 0 | 0 | 0 | 107.9 | I36 I64 E66 M75 E76 I77 | I36-I86 HydrophobicContact CB-CB 4.2Å; I36-I86 PolarHBondContact N-O 2.82Å; I36-I86 PolarHBondContact O-N 2.88Å; I64-I86 HydrophobicContact CG2-CD1 3.79Å; E66-I86 HydrophobicContact CB-CG2 4.28Å; E66-I86 HydrophobicContact CG-CD1 4.41Å; E66-I86 HydrophobicContact CG-CG1 4.49Å; E66-I86 HydrophobicContact CG-CG2 4.39Å; M75-I86 HydrophobicContact CB-CG2 3.9Å; M75-I86 HydrophobicContact CE-CG2 4.16Å; E76-I86 CarbonylContact O-C 3.59Å; E76-I86 VanDerWaalsContact O-CA 3.28Å; E76-I86 WeakPolarHBondContact O-CA 3.48Å; I77-I86 HydrophobicContact CG1-CG1 3.98Å |
| 87 | K | 98.4 | Very high | 97 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 165.4 | 176.5 | 79.3 | 178.6 | -175.5 | -176.5 | 0 | 110.8 | R35 M75 E76 C78 E81 | R35-K87 VanDerWaalsContact CZ-CD 3.41Å; M75-K87 CarbonylContact C-O 3.55Å; M75-K87 VanDerWaalsContact CA-O 3.31Å; M75-K87 WeakPolarHBondContact CA-O 3.46Å; E76-K87 PolarHBondContact N-O 3.01Å; E76-K87 PolarHBondContact O-N 3.11Å; C78-K87 HydrophobicContact CB-CD 3.86Å; C78-K87 HydrophobicContact CB-CG 4.01Å; C78-K87 WeakPolarHBondContact SG-CE 3.31Å; C78-K87 PolarHBondContact SG-NZ 3.07Å; E81-K87 WeakPolarHBondContact OE1-CD 3.32Å; E81-K87 IonicContact OE1-NZ 3.73Å; E81-K87 PolarHBondContact OE1-NZ 3.02Å |
| 88 | Q | 98.5 | Very high | 96.9 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 134.4 | 174.2 | -161.3 | 169 | -3.6 | 0 | 0 | 111 | K74 M75 L95 R96 Y97 | K74-Q88 CarbonylContact O-C 3.56Å; K74-Q88 VanDerWaalsContact O-CA 3.32Å; K74-Q88 WeakPolarHBondContact O-CA 3.47Å; K74-Q88 WeakPolarHBondContact O-CG 3.46Å; M75-Q88 HydrophobicContact CE-CB 4.48Å; M75-Q88 HydrophobicContact SD-CB 3.53Å; M75-Q88 VanDerWaalsContact SD-CB 3.53Å; M75-Q88 HydrophobicContact SD-CG 3.95Å; Q88-L95 HydrophobicContact CB-CD2 3.94Å; Q88-L95 HydrophobicContact CG-CB 4.39Å; Q88-L95 HydrophobicContact CG-CD2 4.21Å; Q88-R96 PolarHBondContact NE2-O 3.15Å; Q88-Y97 VanDerWaalsContact NE2-CZ 3.3Å |
| 89 | D | 97.7 | Very high | 96.8 | Very high | 26 Ų | 26 | 50 Ų | 50 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | trans | -57 | 139.1 | 171.2 | -178.4 | 18.5 | 0 | 0 | 0 | 109.9 | K74 R96 | K74-D89 HydrophobicContact CB-CB 4.23Å; K74-D89 HydrophobicContact CD-CB 3.92Å; K74-D89 HydrophobicContact CG-CB 4.14Å; K74-D89 IonicContact NZ-OD2 2.6Å; K74-D89 PolarHBondContact O-N 2.78Å; D89-R96 HydrophobicContact CB-CB 4.11Å; D89-R96 WeakPolarHBondContact O-CB 3.44Å; D89-R96 PolarHBondContact O-N 2.98Å; D89-R96 WeakPolarHBondContact OD2-CD 3.25Å; D89-R96 IonicContact OD2-CZ 2.67Å; D89-R96 IonicContact OD2-NE 3.98Å; D89-R96 IonicContact OD2-NH1 3.47Å; D89-R96 PolarHBondContact OD2-NH1 2.71Å | ||
| 90 | V | 96.7 | Very high | 96.8 | Very high | 62 Ų | 62 | 49.1 Ų | 49.1 | 38% | 0.376 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 113.8 | 179.2 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | T32 K94 L95 | T32-V90 HydrophobicContact CG2-CG2 3.87Å; V90-K94 CarbonylContact C-O 3.48Å; V90-K94 WeakPolarHBondContact CA-O 3.47Å; V90-L95 HydrophobicContact CG2-CD2 4.18Å |
| 91 | K | 93.1 | Very high | 96.7 | Very high | 94 Ų | 94 | 45.9 Ų | 45.9 | 41% | 0.409 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.9 | 177.9 | -169.9 | 171.5 | -177 | 174 | 0 | 109.7 | N93 K94 | K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 2.82Å; K91-K94 PolarHBondContact N-O 3.16Å; K91-K94 PolarHBondContact O-N 3.2Å; K91-K94 VanDerWaalsContact O-O 3.14Å |
| 92 | N | 91.9 | Very high | 96.5 | Very high | 143 Ų | 143 | 47.3 Ų | 47.3 | 77% | 0.765 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 44.7 | -177 | -57.4 | -29 | 0 | 0 | 0 | 112.7 | K94 | N92-K94 PolarHBondContact O-N 3.38Å; N92-K94 VanDerWaalsContact O-N 3.15Å |
| 93 | N | 92.5 | Very high | 96.4 | Very high | 160 Ų | 160 | 46.8 Ų | 46.8 | 86% | 0.856 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 17.6 | -177.3 | -57.7 | -37.3 | 0 | 0 | 0 | 115.3 | K91 | K91-N93 VanDerWaalsContact C-N 3.28Å; K91-N93 PolarHBondContact O-N 2.82Å |
| 94 | K | 94.4 | Very high | 96.2 | Very high | 142 Ų | 142 | 48.5 Ų | 48.5 | 62% | 0.617 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 145.1 | 175.9 | -66.2 | -174.9 | 177.6 | -172.2 | 0 | 110.6 | V90 K91 N92 R96 | V90-K94 CarbonylContact C-O 3.48Å; V90-K94 WeakPolarHBondContact CA-O 3.47Å; K91-K94 PolarHBondContact N-O 3.16Å; K91-K94 PolarHBondContact O-N 3.2Å; K91-K94 VanDerWaalsContact O-O 3.14Å; N92-K94 PolarHBondContact O-N 3.38Å; N92-K94 VanDerWaalsContact O-N 3.15Å; K94-R96 PolarHBondContact O-N 2.72Å |
| 95 | L | 97.1 | Very high | 96 | Very high | 33 Ų | 33 | 52.7 Ų | 52.7 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 129.3 | 168.7 | -65.6 | 174.8 | 0 | 0 | 0 | 109.5 | H30 T32 Q88 V90 Y97 | H30-L95 VanDerWaalsContact O-CD1 3.28Å; H30-L95 WeakPolarHBondContact O-CD1 3.46Å; T32-L95 HydrophobicContact CG2-CD2 4.07Å; Q88-L95 HydrophobicContact CB-CD2 3.94Å; Q88-L95 HydrophobicContact CG-CB 4.39Å; Q88-L95 HydrophobicContact CG-CD2 4.21Å; V90-L95 HydrophobicContact CG2-CD2 4.18Å; L95-Y97 HydrophobicContact CB-CE2 4.04Å; L95-Y97 WeakPolarHBondContact O-CD2 3.47Å |
| 96 | R | 97.4 | Very high | 96 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 17% | 0.17 | 26% | 0.259 | C | S | . | . | trans | -87.1 | 130.5 | -175.3 | -172.6 | -179.8 | 174.9 | -175.8 | -5.4 | 110.9 | K74 Q88 D89 K94 | K74-R96 HydrophobicContact CB-CB 4.39Å; K74-R96 HydrophobicContact CB-CG 4.37Å; K74-R96 PolarHBondContact N-O 3.22Å; Q88-R96 PolarHBondContact NE2-O 3.15Å; D89-R96 HydrophobicContact CB-CB 4.11Å; D89-R96 WeakPolarHBondContact O-CB 3.44Å; D89-R96 PolarHBondContact O-N 2.98Å; D89-R96 WeakPolarHBondContact OD2-CD 3.25Å; D89-R96 IonicContact OD2-CZ 2.67Å; D89-R96 IonicContact OD2-NE 3.98Å; D89-R96 IonicContact OD2-NH1 3.47Å; D89-R96 PolarHBondContact OD2-NH1 2.71Å; K94-R96 PolarHBondContact O-N 2.72Å | ||
| 97 | Y | 97.2 | Very high | 96 | Very high | 44 Ų | 44 | 53 Ų | 53 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -115.2 | 137.5 | 167.5 | -62.7 | -95.7 | 0 | 0 | 0 | 108.4 | N72 A73 Q88 L95 P292 I297 | N72-Y97 CarbonylContact O-C 3.54Å; N72-Y97 WeakPolarHBondContact O-CA 3.45Å; A73-Y97 HydrophobicContact CB-CD1 4.12Å; A73-Y97 HydrophobicContact CB-CE1 3.86Å; Q88-Y97 VanDerWaalsContact NE2-CZ 3.3Å; L95-Y97 HydrophobicContact CB-CE2 4.04Å; L95-Y97 WeakPolarHBondContact O-CD2 3.47Å; Y97-P292 HydrophobicContact CE1-CG 4.23Å; Y97-P292 WeakPolarHBondContact OH-CG 3.44Å; Y97-I297 HydrophobicContact CD1-CD1 4.32Å; Y97-I297 HydrophobicContact CD1-CG1 4.4Å; Y97-I297 HydrophobicContact CD1-CG2 3.71Å; Y97-I297 HydrophobicContact CD2-CD1 3.65Å; Y97-I297 HydrophobicContact CD2-CG1 3.81Å; Y97-I297 HydrophobicContact CE1-CD1 4.27Å; Y97-I297 HydrophobicContact CE1-CG2 4.24Å; Y97-I297 HydrophobicContact CE2-CD1 3.6Å; Y97-I297 HydrophobicContact CE2-CG1 4.29Å; Y97-I297 HydrophobicContact CG-CD1 4.04Å; Y97-I297 HydrophobicContact CG-CG1 3.89Å; Y97-I297 HydrophobicContact CG-CG2 3.93Å |
| 98 | V | 96.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | trans | -72.2 | 137.7 | 170.3 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | N72 K74 Y107 W206 Y210 | N72-V98 WeakPolarHBondContact CB-O 3.34Å; N72-V98 PolarHBondContact ND2-O 2.59Å; N72-V98 PolarHBondContact O-N 2.78Å; K74-V98 HydrophobicContact CB-CG2 4.41Å; V98-Y107 HydrophobicContact CB-CE2 4.11Å; V98-Y107 HydrophobicContact CG2-CE2 3.64Å; V98-W206 HydrophobicContact CG1-CH2 4.09Å; V98-W206 HydrophobicContact CG1-CZ2 3.79Å; V98-Y210 HydrophobicContact CG1-CD2 3.89Å | ||
| 99 | N | 96.4 | Very high | 96 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | trans | -66.6 | 141.9 | 178.7 | -67.6 | 95.3 | 0 | 0 | 0 | 111.1 | V101 P213 T214 H301 | N99-V101 PolarHBondContact O-N 3.35Å; N99-P213 HydrophobicContact CB-CB 3.71Å; N99-P213 HydrophobicContact CB-CG 3.77Å; N99-T214 VanDerWaalsContact OD1-CG2 3.29Å; N99-T214 WeakPolarHBondContact OD1-CG2 3.48Å; N99-H301 PolarHBondContact ND2-NE2 3.13Å; N99-H301 VanDerWaalsContact ND2-NE2 3.13Å | ||
| 100 | N | 97 | Very high | 96 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 107.5 | 175.1 | -50.2 | -62.7 | 0 | 0 | 0 | 109.3 | G106 I297 Q299 W300 H301 | N100-G106 PolarHBondContact OD1-N 2.81Å; N100-I297 PolarHBondContact ND2-O 2.92Å; N100-Q299 WeakPolarHBondContact CB-O 3.37Å; N100-Q299 PolarHBondContact ND2-O 3.44Å; N100-W300 CarbonylContact O-C 3.54Å; N100-W300 WeakPolarHBondContact O-CA 3.43Å; N100-H301 PolarHBondContact O-N 2.94Å |
| 101 | V | 95.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 118.4 | 176 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | N99 H104 P213 H301 C303 | N99-V101 PolarHBondContact O-N 3.35Å; V101-H104 PolarHBondContact N-O 3.19Å; V101-H104 WeakPolarHBondContact O-CA 3.32Å; V101-H104 WeakPolarHBondContact O-CB 3.3Å; V101-H104 PolarHBondContact O-N 3.37Å; V101-P213 HydrophobicContact CG2-CG 3.99Å; V101-H301 CarbonylContact C-O 3.59Å; V101-H301 WeakPolarHBondContact CA-O 3.45Å; V101-C303 HydrophobicContact CG1-CB 4.05Å |
| 102 | F | 95.1 | Very high | 96.4 | Very high | 74 Ų | 74 | 42.8 Ų | 42.8 | 33% | 0.325 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 130 | 178 | -174.1 | -79.7 | 0 | 0 | 0 | 110 | W300 H301 F302 I307 | F102-W300 HydrophobicContact CB-CE3 3.58Å; F102-W300 HydrophobicContact CB-CZ3 3.92Å; F102-W300 HydrophobicContact CD2-CD2 4.43Å; F102-W300 AromaticContact CD2-CE3 3.18Å; F102-W300 HydrophobicContact CD2-CE3 3.18Å; F102-W300 HydrophobicContact CD2-CH2 4.3Å; F102-W300 AromaticContact CD2-CZ3 3.06Å; F102-W300 HydrophobicContact CD2-CZ3 3.06Å; F102-W300 HydrophobicContact CE2-CE3 4.08Å; F102-W300 AromaticContact CE2-CZ3 3.58Å; F102-W300 HydrophobicContact CE2-CZ3 3.58Å; F102-W300 AromaticContact CG-CE3 3.72Å; F102-W300 HydrophobicContact CG-CE3 3.72Å; F102-W300 AromaticContact CG-CZ3 3.66Å; F102-W300 HydrophobicContact CG-CZ3 3.66Å; F102-H301 PolarHBondContact N-O 3.06Å; F102-F302 HydrophobicContact CB-CD1 3.73Å; F102-F302 HydrophobicContact CB-CE1 3.84Å; F102-F302 HydrophobicContact CB-CG 4.28Å; F102-F302 HydrophobicContact CB-CZ 4.45Å; F102-F302 HydrophobicContact CD1-CD1 4.3Å; F102-F302 HydrophobicContact CD1-CE1 4.24Å; F102-F302 HydrophobicContact CD2-CD1 4.03Å; F102-F302 AromaticContact CD2-CE1 3.27Å; F102-F302 HydrophobicContact CD2-CE1 3.27Å; F102-F302 AromaticContact CD2-CZ 3.79Å; F102-F302 HydrophobicContact CD2-CZ 3.79Å; F102-F302 AromaticContact CE2-CE1 4Å; F102-F302 HydrophobicContact CE2-CE1 4Å; F102-F302 AromaticContact CG-CD1 3.76Å; F102-F302 HydrophobicContact CG-CD1 3.76Å; F102-F302 AromaticContact CG-CE1 3.51Å; F102-F302 HydrophobicContact CG-CE1 3.51Å; F102-F302 HydrophobicContact CG-CZ 4.31Å; F102-I307 HydrophobicContact CD1-CG2 4.09Å; F102-I307 HydrophobicContact CE1-CG2 3.79Å; F102-I307 WeakPolarHBondContact O-CD1 3.39Å |
| 103 | P | 94.2 | Very high | 96.7 | Very high | 56 Ų | 56 | 36 Ų | 36 | 36% | 0.364 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -96.6 | 13.7 | 13.4 | 38.5 | -33.3 | 0 | 0 | 0 | 114 | W300 I307 | P103-W300 VanDerWaalsContact O-CH2 3.31Å; P103-W300 WeakPolarHBondContact O-CH2 3.04Å; P103-I307 HydrophobicContact CG-CD1 4.49Å |
| 104 | H | 95 | Very high | 97 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 16% | 0.162 | 13% | 0.132 | C | C | . | . | trans | -105.9 | 139.7 | -164.2 | -56.8 | -51.2 | 0 | 0 | 0 | 112.5 | V101 I108 | V101-H104 PolarHBondContact N-O 3.19Å; V101-H104 WeakPolarHBondContact O-CA 3.32Å; V101-H104 WeakPolarHBondContact O-CB 3.3Å; V101-H104 PolarHBondContact O-N 3.37Å; H104-I108 HydrophobicContact CB-CG2 3.55Å | ||
| 105 | K | 94.6 | Very high | 97.2 | Very high | 88 Ų | 88 | 21.7 Ų | 21.7 | 38% | 0.383 | 10% | 0.103 | S | C | . | . | trans | -100.4 | 121.9 | 165.8 | 175.6 | 166.3 | 175.1 | 152.5 | 0 | 109 | D298 | K105-D298 IonicContact NZ-OD1 2.66Å; K105-D298 PolarHBondContact NZ-OD1 3.12Å | ||
| 106 | G | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | S | Bend | trans | 53.4 | -148.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T71 N100 W206 | T71-G106 CarbonylContact O-C 3.56Å; T71-G106 VanDerWaalsContact O-CA 3.25Å; T71-G106 WeakPolarHBondContact O-CA 3.36Å; N100-G106 PolarHBondContact OD1-N 2.81Å; G106-W206 PolarHBondContact O-NE1 3.11Å |
| 107 | Y | 98.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 18.4 Ų | 18.4 | 3% | 0.027 | 9% | 0.089 | C | C | . | . | trans | -75.1 | 132.7 | 178.5 | -72.2 | -106.2 | 0 | 0 | 0 | 110.5 | I67 W70 T71 V98 W109 Y111 W206 | I67-Y107 HydrophobicContact CB-CD2 4.43Å; I67-Y107 HydrophobicContact CD1-CD1 4.37Å; I67-Y107 HydrophobicContact CD1-CD2 3.98Å; I67-Y107 HydrophobicContact CD1-CE1 3.84Å; I67-Y107 HydrophobicContact CD1-CE2 3.42Å; I67-Y107 VanDerWaalsContact CD1-CE2 3.42Å; I67-Y107 HydrophobicContact CD1-CG 4.43Å; I67-Y107 WeakPolarHBondContact CD1-OH 3.35Å; I67-Y107 HydrophobicContact CG2-CD2 3.62Å; I67-Y107 HydrophobicContact CG2-CE2 4.12Å; I67-Y107 HydrophobicContact CG2-CG 3.97Å; W70-Y107 WeakPolarHBondContact CA-O 3.48Å; W70-Y107 PolarHBondContact N-O 3.01Å; T71-Y107 WeakPolarHBondContact O-CD2 3.32Å; T71-Y107 PolarHBondContact O-N 3.43Å; V98-Y107 HydrophobicContact CB-CE2 4.11Å; V98-Y107 HydrophobicContact CG2-CE2 3.64Å; Y107-W109 VanDerWaalsContact C-N 3.31Å; Y107-W109 HydrophobicContact CD1-CE3 4.26Å; Y107-W109 AromaticContact CD1-CZ3 3.89Å; Y107-W109 HydrophobicContact CD1-CZ3 3.89Å; Y107-W109 PolarHBondContact O-N 3.01Å; Y107-Y111 HydrophobicContact CD1-CD1 4.07Å; Y107-Y111 AromaticContact CD1-CD2 3.87Å; Y107-Y111 HydrophobicContact CD1-CD2 3.87Å; Y107-Y111 AromaticContact CD1-CG 3.55Å; Y107-Y111 HydrophobicContact CD1-CG 3.55Å; Y107-Y111 AromaticContact CE1-CD1 3.65Å; Y107-Y111 HydrophobicContact CE1-CD1 3.65Å; Y107-Y111 AromaticContact CE1-CD2 3.97Å; Y107-Y111 HydrophobicContact CE1-CD2 3.97Å; Y107-Y111 HydrophobicContact CE1-CE1 4.03Å; Y107-Y111 HydrophobicContact CE1-CE2 4.29Å; Y107-Y111 AromaticContact CE1-CG 3.6Å; Y107-Y111 HydrophobicContact CE1-CG 3.6Å; Y107-W206 AromaticContact CD1-CH2 3.78Å; Y107-W206 HydrophobicContact CD1-CH2 3.78Å; Y107-W206 AromaticContact CD1-CZ2 3.95Å; Y107-W206 HydrophobicContact CD1-CZ2 3.95Å; Y107-W206 HydrophobicContact CD2-CH2 4.42Å; Y107-W206 HydrophobicContact CD2-CZ2 4.1Å; Y107-W206 AromaticContact CE1-CH2 3.51Å; Y107-W206 HydrophobicContact CE1-CH2 3.51Å; Y107-W206 HydrophobicContact CE1-CZ2 4.08Å; Y107-W206 HydrophobicContact CE1-CZ3 4.27Å; Y107-W206 HydrophobicContact CE2-CH2 4.17Å; Y107-W206 HydrophobicContact CE2-CZ2 4.21Å; Y107-W206 HydrophobicContact CG-CH2 4.25Å; Y107-W206 AromaticContact CG-CZ2 3.97Å; Y107-W206 HydrophobicContact CG-CZ2 3.97Å; Y107-W206 AromaticContact CZ-CH2 3.73Å | ||
| 108 | I | 98.2 | Very high | 97.4 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 4% | 0.036 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -92.8 | 7.2 | -174 | 75.3 | 179.8 | 0 | 0 | 0 | 113.7 | R69 W70 H104 A202 W206 | R69-I108 WeakPolarHBondContact CD-O 3.29Å; R69-I108 VanDerWaalsContact CG-C 3.5Å; W70-I108 HydrophobicContact CE3-CB 4.32Å; W70-I108 HydrophobicContact CE3-CG2 4.32Å; W70-I108 HydrophobicContact CH2-CB 3.83Å; W70-I108 HydrophobicContact CH2-CG2 4.36Å; W70-I108 VanDerWaalsContact CZ3-CA 3.44Å; W70-I108 HydrophobicContact CZ3-CB 3.44Å; W70-I108 VanDerWaalsContact CZ3-CB 3.44Å; W70-I108 HydrophobicContact CZ3-CG2 3.56Å; H104-I108 HydrophobicContact CB-CG2 3.55Å; I108-A202 HydrophobicContact CD1-CB 3.83Å; I108-W206 HydrophobicContact CD1-CB 4.41Å |
| 109 | W | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -138.1 | 168.7 | 175.8 | -16.6 | -87.6 | 0 | 0 | 0 | 108.5 | R69 Y107 Y111 C140 E141 T203 W206 F207 | R69-W109 WeakPolarHBondContact CA-O 3.45Å; R69-W109 VanDerWaalsContact CB-C 3.46Å; R69-W109 WeakPolarHBondContact CB-O 3.42Å; R69-W109 PolarHBondContact N-O 3.36Å; Y107-W109 VanDerWaalsContact C-N 3.31Å; Y107-W109 HydrophobicContact CD1-CE3 4.26Å; Y107-W109 AromaticContact CD1-CZ3 3.89Å; Y107-W109 HydrophobicContact CD1-CZ3 3.89Å; Y107-W109 PolarHBondContact O-N 3.01Å; W109-Y111 AromaticContact CE3-CD2 3.79Å; W109-Y111 HydrophobicContact CE3-CD2 3.79Å; W109-Y111 AromaticContact CZ3-CD2 3.73Å; W109-Y111 HydrophobicContact CZ3-CD2 3.73Å; W109-Y111 HydrophobicContact CZ3-CE2 4.17Å; W109-Y111 PolarHBondContact O-N 2.86Å; W109-C140 HydrophobicContact CB-CB 4.09Å; W109-C140 HydrophobicContact CD2-CB 3.75Å; W109-C140 HydrophobicContact CE3-CB 4.03Å; W109-C140 HydrophobicContact CG-CB 3.77Å; W109-E141 WeakPolarHBondContact CB-O 3.41Å; W109-T203 HydrophobicContact CZ2-CG2 3.58Å; W109-T203 PolarHBondContact NE1-OG1 2.95Å; W109-W206 HydrophobicContact CH2-CB 4.4Å; W109-W206 AromaticContact CH2-CD2 3.78Å; W109-W206 HydrophobicContact CH2-CD2 3.78Å; W109-W206 AromaticContact CH2-CE3 3.54Å; W109-W206 HydrophobicContact CH2-CE3 3.54Å; W109-W206 HydrophobicContact CH2-CG 4.16Å; W109-W206 HydrophobicContact CH2-CZ3 4.11Å; W109-W206 HydrophobicContact CZ2-CB 4.28Å; W109-W206 HydrophobicContact CZ2-CD2 4.46Å; W109-W206 HydrophobicContact CZ2-CE3 4.49Å; W109-W206 HydrophobicContact CZ2-CG 4.38Å; W109-W206 HydrophobicContact CZ3-CD2 4.47Å; W109-W206 HydrophobicContact CZ3-CE3 4.2Å; W109-W206 HydrophobicContact CZ3-CZ3 4.35Å; W109-F207 HydrophobicContact CH2-CD1 4.5Å; W109-F207 AromaticContact CH2-CD2 3.88Å; W109-F207 HydrophobicContact CH2-CD2 3.88Å; W109-F207 AromaticContact CH2-CE1 3.9Å; W109-F207 HydrophobicContact CH2-CE1 3.9Å; W109-F207 AromaticContact CH2-CE2 3.2Å; W109-F207 HydrophobicContact CH2-CE2 3.2Å; W109-F207 HydrophobicContact CH2-CG 4.47Å; W109-F207 AromaticContact CH2-CZ 3.19Å; W109-F207 HydrophobicContact CH2-CZ 3.19Å; W109-F207 HydrophobicContact CZ2-CD2 4.19Å; W109-F207 AromaticContact CZ2-CE2 3.64Å; W109-F207 HydrophobicContact CZ2-CE2 3.64Å; W109-F207 HydrophobicContact CZ2-CZ 4.09Å; W109-F207 HydrophobicContact CZ3-CE1 4.18Å; W109-F207 AromaticContact CZ3-CE2 3.9Å; W109-F207 HydrophobicContact CZ3-CE2 3.9Å; W109-F207 AromaticContact CZ3-CZ 3.47Å; W109-F207 HydrophobicContact CZ3-CZ 3.47Å; W109-F207 VanDerWaalsContact CZ3-CZ 3.47Å |
| 110 | N | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 129 | 158.7 | -55.8 | -68.6 | 0 | 0 | 0 | 106.6 | V65 R69 E141 K145 W147 | V65-N110 HydrophobicContact CG1-CB 4.23Å; R69-N110 PolarHBondContact N-OD1 3.22Å; R69-N110 VanDerWaalsContact N-OD1 3.13Å; N110-E141 HydrophobicContact CB-CB 4.26Å; N110-E141 PolarHBondContact N-O 2.85Å; N110-E141 VanDerWaalsContact N-O 3.1Å; N110-E141 PolarHBondContact ND2-OE2 2.51Å; N110-E141 PolarHBondContact O-N 2.98Å; N110-K145 PolarHBondContact ND2-O 2.83Å; N110-W147 PolarHBondContact OD1-N 2.92Å |
| 111 | Y | 98.9 | Very high | 97.5 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 5% | 0.051 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.3 | -173.3 | -170.5 | -92.4 | 0 | 0 | 0 | 110.2 | E66 I67 Y107 W109 D138 V139 K172 F207 | E66-Y111 PolarHBondContact N-O 2.95Å; I67-Y111 HydrophobicContact CD1-CD1 4.14Å; I67-Y111 PolarHBondContact N-O 3.1Å; I67-Y111 PolarHBondContact O-N 3.47Å; Y107-Y111 HydrophobicContact CD1-CD1 4.07Å; Y107-Y111 AromaticContact CD1-CD2 3.87Å; Y107-Y111 HydrophobicContact CD1-CD2 3.87Å; Y107-Y111 AromaticContact CD1-CG 3.55Å; Y107-Y111 HydrophobicContact CD1-CG 3.55Å; Y107-Y111 AromaticContact CE1-CD1 3.65Å; Y107-Y111 HydrophobicContact CE1-CD1 3.65Å; Y107-Y111 AromaticContact CE1-CD2 3.97Å; Y107-Y111 HydrophobicContact CE1-CD2 3.97Å; Y107-Y111 HydrophobicContact CE1-CE1 4.03Å; Y107-Y111 HydrophobicContact CE1-CE2 4.29Å; Y107-Y111 AromaticContact CE1-CG 3.6Å; Y107-Y111 HydrophobicContact CE1-CG 3.6Å; W109-Y111 AromaticContact CE3-CD2 3.79Å; W109-Y111 HydrophobicContact CE3-CD2 3.79Å; W109-Y111 AromaticContact CZ3-CD2 3.73Å; W109-Y111 HydrophobicContact CZ3-CD2 3.73Å; W109-Y111 HydrophobicContact CZ3-CE2 4.17Å; W109-Y111 PolarHBondContact O-N 2.86Å; Y111-D138 WeakPolarHBondContact CE1-OD1 3.41Å; Y111-D138 HydrophobicContact CE2-CB 4.44Å; Y111-D138 VanDerWaalsContact CZ-OD1 3.31Å; Y111-D138 WeakPolarHBondContact OH-CB 3.44Å; Y111-D138 PolarHBondContact OH-OD1 3.47Å; Y111-D138 PolarHBondContact OH-OD2 2.9Å; Y111-V139 WeakPolarHBondContact CA-O 3.36Å; Y111-K172 HydrophobicContact CE2-CD 4.47Å; Y111-K172 PolarHBondContact OH-NZ 3.18Å; Y111-F207 HydrophobicContact CE2-CE1 4.19Å; Y111-F207 AromaticContact CE2-CZ 3.86Å; Y111-F207 HydrophobicContact CE2-CZ 3.86Å |
| 112 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.9 | -151.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I64 E66 V139 | I64-G112 VanDerWaalsContact O-CA 3.28Å; I64-G112 WeakPolarHBondContact O-CA 3.44Å; E66-G112 WeakPolarHBondContact OE2-CA 3.35Å; G112-V139 PolarHBondContact N-O 2.83Å; G112-V139 VanDerWaalsContact N-O 3.14Å; G112-V139 PolarHBondContact O-N 3.45Å |
| 113 | A | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 162.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I64 I77 P136 I137 | I64-A113 PolarHBondContact N-O 3.35Å; I64-A113 PolarHBondContact O-N 2.89Å; I64-A113 VanDerWaalsContact O-N 3.14Å; I77-A113 HydrophobicContact CD1-CB 4.44Å; A113-P136 HydrophobicContact CB-CB 3.93Å; A113-I137 VanDerWaalsContact CA-O 3.28Å; A113-I137 WeakPolarHBondContact CA-O 3.32Å; A113-I137 WeakPolarHBondContact CB-O 3.5Å |
| 114 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -85.7 | 126.5 | 166 | -56.8 | -177 | 0 | 0 | 0 | 110.1 | L53 Y61 N62 M63 T117 I137 V139 V155 I237 | L53-L114 HydrophobicContact CD1-CB 3.74Å; L53-L114 HydrophobicContact CD1-CD1 4.01Å; L53-L114 HydrophobicContact CD1-CG 4.39Å; Y61-L114 HydrophobicContact CD1-CD1 4.28Å; Y61-L114 HydrophobicContact CG-CD1 4.39Å; N62-L114 WeakPolarHBondContact O-CD2 3.4Å; M63-L114 HydrophobicContact CB-CD2 4.22Å; L114-T117 HydrophobicContact CB-CG2 3.88Å; L114-T117 PolarHBondContact O-OG1 2.99Å; L114-I137 HydrophobicContact CB-CG2 3.8Å; L114-I137 HydrophobicContact CD1-CG2 3.92Å; L114-I137 HydrophobicContact CG-CG2 3.91Å; L114-I137 PolarHBondContact N-O 2.99Å; L114-V139 HydrophobicContact CB-CG2 4.45Å; L114-V139 HydrophobicContact CD1-CG2 4.41Å; L114-V139 HydrophobicContact CD2-CG2 3.63Å; L114-V139 HydrophobicContact CG-CG2 3.47Å; L114-V139 VanDerWaalsContact CG-CG2 3.47Å; L114-V155 HydrophobicContact CD2-CG2 4.42Å; L114-I237 HydrophobicContact CD1-CB 4.46Å; L114-I237 HydrophobicContact CD1-CD1 3.77Å; L114-I237 HydrophobicContact CD1-CG1 3.83Å; L114-I237 HydrophobicContact CD1-CG2 3.75Å | ||
| 115 | P | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 159.6 | 176.4 | 32.8 | -33.5 | 0 | 0 | 0 | 110.4 | V51 L53 N62 I64 T117 | V51-P115 HydrophobicContact CB-CB 3.82Å; V51-P115 HydrophobicContact CB-CG 3.85Å; V51-P115 HydrophobicContact CG1-CB 4.24Å; V51-P115 HydrophobicContact CG1-CG 3.69Å; V51-P115 WeakPolarHBondContact O-CB 3.38Å; L53-P115 WeakPolarHBondContact CD1-O 3.45Å; N62-P115 WeakPolarHBondContact O-CD 3.43Å; I64-P115 HydrophobicContact CD1-CB 4.03Å; I64-P115 HydrophobicContact CD1-CG 4.44Å; I64-P115 HydrophobicContact CG1-CB 4.32Å; I64-P115 HydrophobicContact CG1-CG 4.29Å; P115-T117 PolarHBondContact O-N 3.32Å |
| 116 | Q | 98.3 | Very high | 98 | Very high | 9 Ų | 9 | 24 Ų | 24 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 30.9 | -178.5 | -53.7 | 179.1 | -12.7 | 0 | 0 | 114.1 | F48 H49 V51 L53 H241 W244 | F48-Q116 PolarHBondContact O-N 2.96Å; H49-Q116 WeakPolarHBondContact O-CG 3.43Å; H49-Q116 PolarHBondContact O-NE2 3.27Å; V51-Q116 VanDerWaalsContact O-CD 3.3Å; V51-Q116 WeakPolarHBondContact O-CG 3.4Å; V51-Q116 PolarHBondContact O-NE2 3.45Å; L53-Q116 HydrophobicContact CB-CB 4.21Å; Q116-H241 WeakPolarHBondContact O-CA 3.37Å; Q116-H241 PolarHBondContact O-ND1 2.96Å; Q116-W244 VanDerWaalsContact C-CG 3.44Å; Q116-W244 HydrophobicContact CB-CD2 3.67Å; Q116-W244 HydrophobicContact CB-CE3 3.68Å; Q116-W244 HydrophobicContact CB-CG 4.33Å; Q116-W244 HydrophobicContact CB-CH2 3.89Å; Q116-W244 HydrophobicContact CB-CZ2 3.89Å; Q116-W244 HydrophobicContact CB-CZ3 3.8Å; Q116-W244 HydrophobicContact CG-CD2 4.3Å; Q116-W244 HydrophobicContact CG-CE3 4.37Å; Q116-W244 HydrophobicContact CG-CH2 3.64Å; Q116-W244 HydrophobicContact CG-CZ2 3.56Å; Q116-W244 HydrophobicContact CG-CZ3 4.07Å; Q116-W244 WeakPolarHBondContact O-CB 3.33Å |
| 117 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -124.7 | 151.1 | 169.8 | 66.2 | 0 | 0 | 0 | 0 | 108.7 | F48 L53 L114 P115 P136 I137 I237 T240 | F48-T117 WeakPolarHBondContact CE2-O 3.37Å; L53-T117 HydrophobicContact CD1-CG2 3.81Å; L53-T117 HydrophobicContact CD2-CG2 4.18Å; L114-T117 HydrophobicContact CB-CG2 3.88Å; L114-T117 PolarHBondContact O-OG1 2.99Å; P115-T117 PolarHBondContact O-N 3.32Å; T117-P136 VanDerWaalsContact O-CA 3.31Å; T117-P136 WeakPolarHBondContact O-CA 3.44Å; T117-P136 WeakPolarHBondContact O-CB 3.47Å; T117-I137 HydrophobicContact CG2-CG2 3.87Å; T117-I137 VanDerWaalsContact OG1-CG2 3.28Å; T117-I137 WeakPolarHBondContact OG1-CG2 3.46Å; T117-I137 PolarHBondContact OG1-N 2.88Å; T117-I237 HydrophobicContact CG2-CG2 4.41Å; T117-T240 WeakPolarHBondContact CB-OG1 3.11Å | ||
| 118 | W | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | trans | -154 | 131.8 | 178.5 | 178.9 | 53.6 | 0 | 0 | 0 | 108.8 | F48 D120 P121 N134 D135 T240 Q243 W244 L247 V252 I257 | F48-W118 HydrophobicContact CZ-CB 4.22Å; F48-W118 HydrophobicContact CZ-CG 4.44Å; W118-D120 HydrophobicContact CD2-CB 4.47Å; W118-D120 HydrophobicContact CE3-CB 3.83Å; W118-D120 HydrophobicContact CH2-CB 3.97Å; W118-D120 WeakPolarHBondContact CH2-OD1 3.46Å; W118-D120 HydrophobicContact CZ3-CB 3.54Å; W118-D120 VanDerWaalsContact CZ3-CG 3.49Å; W118-D120 PolarHBondContact O-N 2.85Å; W118-P121 HydrophobicContact CZ2-CG 4.2Å; W118-N134 WeakPolarHBondContact CZ2-OD1 3.23Å; W118-N134 PolarHBondContact NE1-O 2.71Å; W118-N134 VanDerWaalsContact NE1-O 3.14Å; W118-N134 PolarHBondContact NE1-OD1 2.93Å; W118-D135 CarbonylContact C-O 3.19Å; W118-D135 WeakPolarHBondContact CA-O 3.47Å; W118-T240 PolarHBondContact N-O 2.82Å; W118-T240 WeakPolarHBondContact O-CA 3.47Å; W118-Q243 HydrophobicContact CE3-CB 4.2Å; W118-Q243 WeakPolarHBondContact O-CB 3.25Å; W118-Q243 PolarHBondContact O-OE1 2.88Å; W118-W244 HydrophobicContact CB-CB 3.95Å; W118-L247 HydrophobicContact CB-CD2 4.4Å; W118-L247 HydrophobicContact CD2-CB 4.39Å; W118-L247 HydrophobicContact CD2-CD2 3.82Å; W118-L247 HydrophobicContact CE3-CB 3.84Å; W118-L247 HydrophobicContact CE3-CD2 4.14Å; W118-L247 HydrophobicContact CE3-CG 4.4Å; W118-L247 HydrophobicContact CG-CD2 3.96Å; W118-L247 HydrophobicContact CH2-CD1 4.22Å; W118-L247 HydrophobicContact CZ2-CD1 4.31Å; W118-L247 HydrophobicContact CZ3-CB 4.05Å; W118-L247 HydrophobicContact CZ3-CD1 4.35Å; W118-V252 HydrophobicContact CH2-CG2 4.31Å; W118-V252 HydrophobicContact CZ3-CG2 4.02Å; W118-I257 HydrophobicContact CZ2-CD1 4.15Å | ||
| 119 | E | 98.1 | Very high | 97.9 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | trans | -88.6 | 92.5 | 173.9 | -58.3 | -162.2 | 58.7 | 0 | 0 | 109.2 | P121 G132 D133 N134 D135 W171 T240 | E119-P121 WeakPolarHBondContact O-CD 3.27Å; E119-G132 CarbonylContact O-C 3.53Å; E119-D133 WeakPolarHBondContact CB-OD1 3.36Å; E119-N134 VanDerWaalsContact O-CA 3.23Å; E119-N134 WeakPolarHBondContact O-CA 3.39Å; E119-N134 PolarHBondContact O-N 2.6Å; E119-D135 PolarHBondContact N-O 3.37Å; E119-W171 PolarHBondContact OE2-N 3.24Å; E119-T240 HydrophobicContact CG-CG2 4Å | ||
| 120 | D | 97.1 | Very high | 97.8 | Very high | 15 Ų | 15 | 34.8 Ų | 34.8 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | trans | -59.3 | 118.6 | -173.3 | -179.3 | -6.5 | 0 | 0 | 0 | 111.8 | W118 N122 H123 G132 Q243 | W118-D120 HydrophobicContact CD2-CB 4.47Å; W118-D120 HydrophobicContact CE3-CB 3.83Å; W118-D120 HydrophobicContact CH2-CB 3.97Å; W118-D120 WeakPolarHBondContact CH2-OD1 3.46Å; W118-D120 HydrophobicContact CZ3-CB 3.54Å; W118-D120 VanDerWaalsContact CZ3-CG 3.49Å; W118-D120 PolarHBondContact O-N 2.85Å; D120-N122 PolarHBondContact O-N 2.75Å; D120-N122 WeakPolarHBondContact OD1-CB 3.19Å; D120-N122 PolarHBondContact OD1-N 2.7Å; D120-N122 PolarHBondContact OD1-ND2 2.83Å; D120-H123 HydrophobicContact CB-CB 3.89Å; D120-H123 PolarHBondContact O-N 2.8Å; D120-G132 PolarHBondContact O-N 3.32Å; D120-Q243 HydrophobicContact CB-CB 4.2Å; D120-Q243 HydrophobicContact CB-CG 4.08Å | ||
| 121 | P | 96.7 | Very high | 97.8 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -2.8 | -179.1 | 31.9 | -37.2 | 0 | 0 | 0 | 113.6 | W118 E119 K131 G132 N134 | W118-P121 HydrophobicContact CZ2-CG 4.2Å; E119-P121 WeakPolarHBondContact O-CD 3.27Å; P121-K131 WeakPolarHBondContact O-CD 3.28Å; P121-G132 VanDerWaalsContact CA-O 3.31Å; P121-G132 WeakPolarHBondContact CA-O 3.4Å; P121-N134 HydrophobicContact CB-CB 4.05Å; P121-N134 WeakPolarHBondContact CD-OD1 3.28Å; P121-N134 HydrophobicContact CG-CB 3.84Å; P121-N134 WeakPolarHBondContact CG-OD1 3.48Å |
| 122 | N | 96 | Very high | 97.7 | Very high | 106 Ų | 106 | 39.3 Ų | 39.3 | 57% | 0.567 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -9.3 | 171.5 | -58.3 | -65.3 | 0 | 0 | 0 | 113 | D120 | D120-N122 PolarHBondContact O-N 2.75Å; D120-N122 WeakPolarHBondContact OD1-CB 3.19Å; D120-N122 PolarHBondContact OD1-N 2.7Å; D120-N122 PolarHBondContact OD1-ND2 2.83Å |
| 123 | H | 95.9 | Very high | 97.7 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 33% | 0.329 | 20% | 0.204 | S | C | . | . | trans | -91.4 | 122.5 | 176.4 | 179.2 | 67 | 0 | 0 | 0 | 110.6 | D120 K131 G132 Q243 | D120-H123 HydrophobicContact CB-CB 3.89Å; D120-H123 PolarHBondContact O-N 2.8Å; H123-K131 VanDerWaalsContact O-CA 3.26Å; H123-K131 WeakPolarHBondContact O-CA 3.02Å; H123-G132 PolarHBondContact O-N 2.88Å; H123-Q243 PolarHBondContact CD2-NE2 2.83Å | ||
| 124 | V | 98 | Very high | 97.6 | Very high | 79 Ų | 79 | 42.1 Ų | 42.1 | 48% | 0.479 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -86.1 | 114.4 | 170.1 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | A130 K131 | V124-A130 WeakPolarHBondContact CA-O 3.39Å; V124-K131 HydrophobicContact CG2-CG 4.05Å |
| 125 | D | 98 | Very high | 97.6 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | trans | -69.9 | 135.2 | 177.6 | 174.1 | -79.8 | 0 | 0 | 0 | 110.7 | N127 T128 K129 A130 T169 | D125-N127 VanDerWaalsContact C-N 3.25Å; D125-N127 PolarHBondContact O-N 3.28Å; D125-N127 VanDerWaalsContact OD1-CA 3.26Å; D125-N127 WeakPolarHBondContact OD1-CA 2.96Å; D125-N127 WeakPolarHBondContact OD1-CB 3.39Å; D125-N127 PolarHBondContact OD1-N 3Å; D125-N127 PolarHBondContact OD1-ND2 2.68Å; D125-N127 VanDerWaalsContact OD1-ND2 3.15Å; D125-N127 PolarHBondContact OD2-ND2 2.65Å; D125-T128 WeakPolarHBondContact CB-OG1 3.37Å; D125-T128 PolarHBondContact OD1-N 2.59Å; D125-T128 PolarHBondContact OD1-OG1 3.12Å; D125-K129 VanDerWaalsContact O-CA 3.29Å; D125-K129 WeakPolarHBondContact O-CA 3.46Å; D125-K129 PolarHBondContact O-N 3.47Å; D125-A130 PolarHBondContact N-O 3.45Å; D125-T169 HydrophobicContact CB-CG2 4.35Å | ||
| 126 | E | 96.9 | Very high | 97.6 | Very high | 148 Ų | 148 | 44.5 Ų | 44.5 | 69% | 0.692 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.1 | -174 | -66.8 | -178.1 | 173.4 | 0 | 0 | 113 | K129 | E126-K129 WeakPolarHBondContact O-CE 3.48Å; E126-K129 PolarHBondContact O-NZ 3.02Å |
| 127 | N | 97.3 | Very high | 97.6 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -41.9 | -177.1 | -49.5 | -81.6 | 0 | 0 | 0 | 111.5 | D125 W171 F223 F232 | D125-N127 VanDerWaalsContact C-N 3.25Å; D125-N127 PolarHBondContact O-N 3.28Å; D125-N127 VanDerWaalsContact OD1-CA 3.26Å; D125-N127 WeakPolarHBondContact OD1-CA 2.96Å; D125-N127 WeakPolarHBondContact OD1-CB 3.39Å; D125-N127 PolarHBondContact OD1-N 3Å; D125-N127 PolarHBondContact OD1-ND2 2.68Å; D125-N127 VanDerWaalsContact OD1-ND2 3.15Å; D125-N127 PolarHBondContact OD2-ND2 2.65Å; N127-W171 HydrophobicContact CB-CH2 4.19Å; N127-W171 HydrophobicContact CB-CZ2 4.29Å; N127-F223 HydrophobicContact CB-CE1 4.43Å; N127-F223 HydrophobicContact CB-CE2 4.03Å; N127-F223 HydrophobicContact CB-CZ 3.57Å; N127-F232 WeakPolarHBondContact OD1-CZ 3.49Å |
| 128 | T | 97.2 | Very high | 97.6 | Very high | 18 Ų | 18 | 45 Ų | 45 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -23.8 | -177.9 | 63.1 | 0 | 0 | 0 | 0 | 113.5 | D125 A130 A162 I164 T169 W171 A222 | D125-T128 WeakPolarHBondContact CB-OG1 3.37Å; D125-T128 PolarHBondContact OD1-N 2.59Å; D125-T128 PolarHBondContact OD1-OG1 3.12Å; T128-A130 PolarHBondContact O-N 3.25Å; T128-A130 PolarHBondContact OG1-N 2.93Å; T128-A130 VanDerWaalsContact OG1-N 3.16Å; T128-A162 HydrophobicContact CG2-CB 4.32Å; T128-I164 HydrophobicContact CG2-CD1 3.65Å; T128-T169 WeakPolarHBondContact CB-OG1 3.14Å; T128-T169 HydrophobicContact CG2-CG2 3.71Å; T128-T169 PolarHBondContact OG1-OG1 3.24Å; T128-W171 HydrophobicContact CG2-CZ2 4.16Å; T128-A222 HydrophobicContact CG2-CB 4.18Å |
| 129 | K | 97.7 | Very high | 97.7 | Very high | 156 Ų | 156 | 44.9 Ų | 44.9 | 68% | 0.678 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 59.9 | 20.1 | -169.5 | -47.4 | -54.6 | -173.5 | -170.3 | 0 | 113.4 | D125 E126 | D125-K129 VanDerWaalsContact O-CA 3.29Å; D125-K129 WeakPolarHBondContact O-CA 3.46Å; D125-K129 PolarHBondContact O-N 3.47Å; E126-K129 WeakPolarHBondContact O-CE 3.48Å; E126-K129 PolarHBondContact O-NZ 3.02Å |
| 130 | A | 98.1 | Very high | 97.7 | Very high | 12 Ų | 12 | 44.7 Ų | 44.7 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -116.6 | 162.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V124 D125 T128 I164 G167 T169 | V124-A130 WeakPolarHBondContact CA-O 3.39Å; D125-A130 PolarHBondContact N-O 3.45Å; T128-A130 PolarHBondContact O-N 3.25Å; T128-A130 PolarHBondContact OG1-N 2.93Å; T128-A130 VanDerWaalsContact OG1-N 3.16Å; A130-I164 HydrophobicContact CB-CD1 4.41Å; A130-G167 VanDerWaalsContact CB-O 3.25Å; A130-G167 WeakPolarHBondContact CB-O 3.31Å; A130-T169 WeakPolarHBondContact CB-OG1 3.48Å; A130-T169 PolarHBondContact O-OG1 2.78Å |
| 131 | K | 98.1 | Very high | 97.8 | Very high | 104 Ų | 104 | 44 Ų | 44 | 45% | 0.452 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 157.6 | 174.5 | -73.8 | 168.5 | 159.5 | -149.8 | 0 | 111 | P121 H123 V124 E168 T169 | P121-K131 WeakPolarHBondContact O-CD 3.28Å; H123-K131 VanDerWaalsContact O-CA 3.26Å; H123-K131 WeakPolarHBondContact O-CA 3.02Å; V124-K131 HydrophobicContact CG2-CG 4.05Å; K131-E168 CarbonylContact O-C 3.46Å; K131-E168 WeakPolarHBondContact O-CA 3.48Å; K131-T169 WeakPolarHBondContact O-CB 3.35Å; K131-T169 PolarHBondContact O-N 3.41Å; K131-T169 PolarHBondContact O-OG1 2.73Å |
| 132 | G | 97.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 5% | 0.052 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 155.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | E119 D120 P121 H123 N134 | E119-G132 CarbonylContact O-C 3.53Å; D120-G132 PolarHBondContact O-N 3.32Å; P121-G132 VanDerWaalsContact CA-O 3.31Å; P121-G132 WeakPolarHBondContact CA-O 3.4Å; H123-G132 PolarHBondContact O-N 2.88Å; G132-N134 VanDerWaalsContact C-N 3.25Å; G132-N134 PolarHBondContact O-N 2.81Å |
| 133 | D | 97.4 | Very high | 98 | Very high | 21 Ų | 21 | 37.8 Ų | 37.8 | 11% | 0.112 | 19% | 0.189 | C | C | . | . | trans | -81.5 | 2.7 | -179.8 | 68.6 | -3.1 | 0 | 0 | 0 | 114.5 | E119 D135 E168 T169 | E119-D133 WeakPolarHBondContact CB-OD1 3.36Å; D133-D135 VanDerWaalsContact C-N 3.28Å; D133-D135 PolarHBondContact O-N 3.36Å; D133-D135 PolarHBondContact OD1-N 2.82Å; D133-E168 HydrophobicContact CB-CB 4.15Å; D133-T169 PolarHBondContact N-O 2.68Å | ||
| 134 | N | 97.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 38 Ų | 38 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 70.7 | 13.6 | -178.9 | -163.6 | 39.6 | 0 | 0 | 0 | 115.1 | K79 W118 E119 P121 G132 I257 | K79-N134 WeakPolarHBondContact CD-O 3.42Å; K79-N134 WeakPolarHBondContact CE-O 3.35Å; W118-N134 WeakPolarHBondContact CZ2-OD1 3.23Å; W118-N134 PolarHBondContact NE1-O 2.71Å; W118-N134 VanDerWaalsContact NE1-O 3.14Å; W118-N134 PolarHBondContact NE1-OD1 2.93Å; E119-N134 VanDerWaalsContact O-CA 3.23Å; E119-N134 WeakPolarHBondContact O-CA 3.39Å; E119-N134 PolarHBondContact O-N 2.6Å; P121-N134 HydrophobicContact CB-CB 4.05Å; P121-N134 WeakPolarHBondContact CD-OD1 3.28Å; P121-N134 HydrophobicContact CG-CB 3.84Å; P121-N134 WeakPolarHBondContact CG-OD1 3.48Å; G132-N134 VanDerWaalsContact C-N 3.25Å; G132-N134 PolarHBondContact O-N 2.81Å; N134-I257 WeakPolarHBondContact OD1-CD1 3.39Å |
| 135 | D | 98.1 | Very high | 98.1 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 24% | 0.241 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -108.4 | 166.8 | 179.3 | -73.8 | -30 | 0 | 0 | 0 | 112.6 | K79 W118 E119 D133 | K79-D135 VanDerWaalsContact CD-OD1 3.3Å; K79-D135 WeakPolarHBondContact CD-OD1 3.35Å; K79-D135 WeakPolarHBondContact CE-OD1 3.4Å; K79-D135 IonicContact NZ-OD1 3.31Å; K79-D135 PolarHBondContact NZ-OD1 3.49Å; W118-D135 CarbonylContact C-O 3.19Å; W118-D135 WeakPolarHBondContact CA-O 3.47Å; E119-D135 PolarHBondContact N-O 3.37Å; D133-D135 VanDerWaalsContact C-N 3.28Å; D133-D135 PolarHBondContact O-N 3.36Å; D133-D135 PolarHBondContact OD1-N 2.82Å |
| 136 | P | 98.6 | Very high | 98.1 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 149.6 | 165.2 | -11.8 | 27.7 | 0 | 0 | 0 | 110.5 | F48 A113 T117 D138 | F48-P136 HydrophobicContact CD2-CB 4.27Å; F48-P136 HydrophobicContact CD2-CG 3.73Å; F48-P136 HydrophobicContact CE1-CG 4.44Å; F48-P136 HydrophobicContact CE2-CB 4.02Å; F48-P136 HydrophobicContact CE2-CG 3.65Å; F48-P136 HydrophobicContact CG-CG 4.3Å; F48-P136 HydrophobicContact CZ-CG 3.99Å; A113-P136 HydrophobicContact CB-CB 3.93Å; T117-P136 VanDerWaalsContact O-CA 3.31Å; T117-P136 WeakPolarHBondContact O-CA 3.44Å; T117-P136 WeakPolarHBondContact O-CB 3.47Å; P136-D138 PolarHBondContact O-N 2.84Å |
| 137 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 130.3 | -174.5 | -160.3 | 177.1 | 0 | 0 | 0 | 111.3 | A113 L114 T117 I160 W171 V173 I236 I237 T240 | A113-I137 VanDerWaalsContact CA-O 3.28Å; A113-I137 WeakPolarHBondContact CA-O 3.32Å; A113-I137 WeakPolarHBondContact CB-O 3.5Å; L114-I137 HydrophobicContact CB-CG2 3.8Å; L114-I137 HydrophobicContact CD1-CG2 3.92Å; L114-I137 HydrophobicContact CG-CG2 3.91Å; L114-I137 PolarHBondContact N-O 2.99Å; T117-I137 HydrophobicContact CG2-CG2 3.87Å; T117-I137 VanDerWaalsContact OG1-CG2 3.28Å; T117-I137 WeakPolarHBondContact OG1-CG2 3.46Å; T117-I137 PolarHBondContact OG1-N 2.88Å; I137-I160 HydrophobicContact CD1-CD1 4.21Å; I137-W171 HydrophobicContact CD1-CB 3.85Å; I137-W171 HydrophobicContact CD1-CG 4.49Å; I137-W171 HydrophobicContact CG1-CB 3.78Å; I137-V173 HydrophobicContact CD1-CG2 3.63Å; I137-V173 HydrophobicContact CG1-CG2 3.99Å; I137-I236 HydrophobicContact CD1-CG2 3.8Å; I137-I237 HydrophobicContact CD1-CG1 4.16Å; I137-T240 HydrophobicContact CB-CG2 4.46Å; I137-T240 HydrophobicContact CD1-CG2 4.14Å |
| 138 | D | 98.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 10% | 0.096 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 148.7 | -174.5 | -85.8 | -49.7 | 0 | 0 | 0 | 113.4 | Y111 P136 W171 K172 V173 | Y111-D138 WeakPolarHBondContact CE1-OD1 3.41Å; Y111-D138 HydrophobicContact CE2-CB 4.44Å; Y111-D138 VanDerWaalsContact CZ-OD1 3.31Å; Y111-D138 WeakPolarHBondContact OH-CB 3.44Å; Y111-D138 PolarHBondContact OH-OD1 3.47Å; Y111-D138 PolarHBondContact OH-OD2 2.9Å; P136-D138 PolarHBondContact O-N 2.84Å; D138-W171 WeakPolarHBondContact CB-O 3.47Å; D138-W171 PolarHBondContact N-O 3.2Å; D138-K172 HydrophobicContact CB-CD 3.64Å; D138-K172 IonicContact OD2-NZ 2.66Å; D138-K172 PolarHBondContact OD2-NZ 2.94Å; D138-V173 WeakPolarHBondContact O-CB 3.33Å; D138-V173 WeakPolarHBondContact O-CG2 3.18Å; D138-V173 PolarHBondContact O-N 3.2Å |
| 139 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.6 | -171.5 | -172 | 0 | 0 | 0 | 0 | 112 | M63 Y111 G112 L114 V173 V175 | M63-V139 HydrophobicContact CE-CB 4.02Å; M63-V139 HydrophobicContact CE-CG1 4.07Å; M63-V139 WeakPolarHBondContact CE-O 3.24Å; M63-V139 HydrophobicContact CG-CB 4.25Å; M63-V139 HydrophobicContact CG-CG1 4.15Å; M63-V139 HydrophobicContact SD-CB 4.05Å; M63-V139 HydrophobicContact SD-CG1 3.57Å; M63-V139 VanDerWaalsContact SD-CG1 3.57Å; Y111-V139 WeakPolarHBondContact CA-O 3.36Å; G112-V139 PolarHBondContact N-O 2.83Å; G112-V139 VanDerWaalsContact N-O 3.14Å; G112-V139 PolarHBondContact O-N 3.45Å; L114-V139 HydrophobicContact CB-CG2 4.45Å; L114-V139 HydrophobicContact CD1-CG2 4.41Å; L114-V139 HydrophobicContact CD2-CG2 3.63Å; L114-V139 HydrophobicContact CG-CG2 3.47Å; L114-V139 VanDerWaalsContact CG-CG2 3.47Å; V139-V173 CarbonylContact C-O 3.55Å; V139-V173 WeakPolarHBondContact CA-O 3.07Å; V139-V173 HydrophobicContact CG2-CB 4.28Å; V139-V175 HydrophobicContact CG1-CB 4.07Å; V139-V175 HydrophobicContact CG1-CG1 3.57Å; V139-V175 HydrophobicContact CG1-CG2 3.27Å |
| 140 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 108.5 | 171 | -58.2 | 0 | 0 | 0 | 0 | 109.5 | W109 V173 I174 V175 | W109-C140 HydrophobicContact CB-CB 4.09Å; W109-C140 HydrophobicContact CD2-CB 3.75Å; W109-C140 HydrophobicContact CE3-CB 4.03Å; W109-C140 HydrophobicContact CG-CB 3.77Å; C140-V173 PolarHBondContact N-O 3.08Å; C140-I174 HydrophobicContact CB-CD1 3.8Å; C140-V175 PolarHBondContact O-N 2.75Å |
| 141 | E | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.4 | 173.8 | -166.5 | -76.9 | 137.9 | 0 | 0 | 110.6 | M63 W109 N110 G143 I153 V155 V175 N177 | M63-E141 HydrophobicContact CE-CB 4.12Å; M63-E141 HydrophobicContact SD-CB 3.65Å; M63-E141 HydrophobicContact SD-CG 4.38Å; W109-E141 WeakPolarHBondContact CB-O 3.41Å; N110-E141 HydrophobicContact CB-CB 4.26Å; N110-E141 PolarHBondContact N-O 2.85Å; N110-E141 VanDerWaalsContact N-O 3.1Å; N110-E141 PolarHBondContact ND2-OE2 2.51Å; N110-E141 PolarHBondContact O-N 2.98Å; E141-G143 WeakPolarHBondContact OE1-CA 3.3Å; E141-G143 PolarHBondContact OE1-N 2.76Å; E141-I153 HydrophobicContact CB-CD1 4.4Å; E141-I153 HydrophobicContact CG-CD1 3.82Å; E141-V155 HydrophobicContact CG-CG1 4.09Å; E141-V175 WeakPolarHBondContact CA-O 3.45Å; E141-V175 HydrophobicContact CB-CG2 3.8Å; E141-V175 HydrophobicContact CG-CG2 3.98Å; E141-N177 HydrophobicContact CG-CB 4.41Å; E141-N177 WeakPolarHBondContact OE1-CB 3.41Å; E141-N177 PolarHBondContact OE1-N 2.88Å |
| 142 | I | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 4% | 0.041 | 16% | 0.164 | C | C | . | . | trans | -98 | 8.4 | -166.9 | 69.4 | 178.8 | 0 | 0 | 0 | 114.6 | L158 I174 V175 I176 L186 V192 M196 L199 | I142-L158 HydrophobicContact CD1-CD1 3.73Å; I142-L158 HydrophobicContact CG1-CD1 4.46Å; I142-I174 HydrophobicContact CD1-CG2 4.03Å; I142-I174 HydrophobicContact CG2-CG2 3.99Å; I142-V175 WeakPolarHBondContact CG1-O 3.48Å; I142-V175 PolarHBondContact N-O 2.69Å; I142-I176 HydrophobicContact CG1-CB 4.29Å; I142-L186 HydrophobicContact CD1-CD1 3.99Å; I142-V192 HydrophobicContact CD1-CG1 3.93Å; I142-V192 HydrophobicContact CD1-CG2 3.92Å; I142-M196 HydrophobicContact CD1-SD 3.86Å; I142-M196 HydrophobicContact CG1-SD 4.19Å; I142-L199 HydrophobicContact CB-CD2 3.82Å; I142-L199 HydrophobicContact CD1-CD2 4.01Å; I142-L199 HydrophobicContact CG1-CD2 4.41Å; I142-L199 HydrophobicContact CG2-CD2 3.97Å | ||
| 143 | G | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -65.9 | 173.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R69 E141 D180 | R69-G143 PolarHBondContact NH1-O 3.3Å; E141-G143 WeakPolarHBondContact OE1-CA 3.3Å; E141-G143 PolarHBondContact OE1-N 2.76Å; G143-D180 WeakPolarHBondContact CA-OD2 3.17Å |
| 144 | S | 97.7 | Very high | 98.2 | Very high | 76 Ų | 76 | 30.7 Ų | 30.7 | 53% | 0.531 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -76.5 | -32 | -175.6 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | R69 D180 | R69-S144 PolarHBondContact NH2-O 3.14Å; S144-D180 WeakPolarHBondContact CB-OD2 3.49Å; S144-D180 PolarHBondContact N-OD2 3.29Å; S144-D180 PolarHBondContact OG-OD2 3.43Å |
| 145 | K | 98.5 | Very high | 98.2 | Very high | 109 Ų | 109 | 28.9 Ų | 28.9 | 47% | 0.474 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -78.2 | 136.3 | -177.9 | -176.2 | 173.2 | 174.5 | -168.5 | 0 | 111.6 | N110 W147 | N110-K145 PolarHBondContact ND2-O 2.83Å; K145-W147 HydrophobicContact CD-CD2 4.13Å; K145-W147 HydrophobicContact CD-CE3 4.34Å; K145-W147 HydrophobicContact CD-CH2 3.96Å; K145-W147 HydrophobicContact CD-CZ2 3.68Å; K145-W147 HydrophobicContact CD-CZ3 4.28Å; K145-W147 HydrophobicContact CG-CD2 4.37Å; K145-W147 HydrophobicContact CG-CZ2 4.5Å |
| 146 | I | 98.6 | Very high | 98.2 | Very high | 84 Ų | 84 | 27.4 Ų | 27.4 | 43% | 0.431 | 15% | 0.153 | S | C | . | . | P | Polyproline II helix | trans | -85.6 | 121.2 | 168.5 | -57.6 | 179.8 | 0 | 0 | 0 | 107.7 | P68 R69 | P68-I146 HydrophobicContact CB-CG2 3.79Å; R69-I146 HydrophobicContact CB-CG1 4.37Å |
| 147 | W | 98.4 | Very high | 98.2 | Very high | 44 Ų | 44 | 27.2 Ų | 27.2 | 17% | 0.167 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -97.7 | 135.9 | -178.1 | -69.6 | 102 | 0 | 0 | 0 | 110.9 | V65 P68 N110 K145 I153 | V65-W147 HydrophobicContact CB-CB 4.37Å; V65-W147 HydrophobicContact CG1-CB 4.08Å; V65-W147 HydrophobicContact CG2-CB 3.88Å; V65-W147 HydrophobicContact CG2-CG 4.43Å; P68-W147 VanDerWaalsContact CB-O 3.29Å; P68-W147 WeakPolarHBondContact CB-O 3.35Å; P68-W147 WeakPolarHBondContact CG-O 3.28Å; N110-W147 PolarHBondContact OD1-N 2.92Å; K145-W147 HydrophobicContact CD-CD2 4.13Å; K145-W147 HydrophobicContact CD-CE3 4.34Å; K145-W147 HydrophobicContact CD-CH2 3.96Å; K145-W147 HydrophobicContact CD-CZ2 3.68Å; K145-W147 HydrophobicContact CD-CZ3 4.28Å; K145-W147 HydrophobicContact CG-CD2 4.37Å; K145-W147 HydrophobicContact CG-CZ2 4.5Å; W147-I153 HydrophobicContact CD2-CD1 4.46Å; W147-I153 HydrophobicContact CD2-CG2 3.64Å; W147-I153 HydrophobicContact CE3-CG2 3.62Å; W147-I153 HydrophobicContact CG-CD1 4.21Å; W147-I153 HydrophobicContact CG-CG2 4.29Å; W147-I153 HydrophobicContact CH2-CG2 3.77Å; W147-I153 HydrophobicContact CZ2-CG2 3.81Å; W147-I153 HydrophobicContact CZ3-CG2 3.67Å |
| 148 | P | 97.9 | Very high | 98.2 | Very high | 77 Ų | 77 | 27.2 Ų | 27.2 | 50% | 0.5 | 15% | 0.152 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 154.7 | 171.9 | -21.7 | 32.6 | 0 | 0 | 0 | 112.6 | S151 | P148-S151 WeakPolarHBondContact CD-OG 3.41Å; P148-S151 VanDerWaalsContact O-CB 3.3Å; P148-S151 WeakPolarHBondContact O-CB 3.44Å; P148-S151 PolarHBondContact O-N 3.34Å; P148-S151 PolarHBondContact O-OG 2.9Å |
| 149 | P | 98.2 | Very high | 98.2 | Very high | 36 Ų | 36 | 26.3 Ų | 26.3 | 23% | 0.234 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 145.5 | 170.8 | -18 | 30.4 | 0 | 0 | 0 | 111.7 | I36 V65 E66 P68 S151 | I36-P149 HydrophobicContact CD1-CB 3.46Å; I36-P149 VanDerWaalsContact CD1-CB 3.46Å; I36-P149 HydrophobicContact CD1-CG 4.26Å; V65-P149 CarbonylContact O-C 3.58Å; V65-P149 WeakPolarHBondContact O-CA 3.14Å; E66-P149 WeakPolarHBondContact O-CB 3.39Å; P68-P149 HydrophobicContact CG-CG 3.82Å; P149-S151 PolarHBondContact O-N 2.79Å |
| 150 | G | 98.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L38 V65 I152 | L38-G150 VanDerWaalsContact CD2-O 3.3Å; L38-G150 WeakPolarHBondContact CD2-O 3.3Å; V65-G150 PolarHBondContact O-N 2.98Å; G150-I152 PolarHBondContact O-N 2.82Å |
| 151 | S | 97.9 | Very high | 98.2 | Very high | 19 Ų | 19 | 26.3 Ų | 26.3 | 13% | 0.133 | 15% | 0.147 | C | C | . | . | trans | -66.6 | 131.7 | 172.1 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | V65 P148 P149 | V65-S151 PolarHBondContact N-O 3.38Å; P148-S151 WeakPolarHBondContact CD-OG 3.41Å; P148-S151 VanDerWaalsContact O-CB 3.3Å; P148-S151 WeakPolarHBondContact O-CB 3.44Å; P148-S151 PolarHBondContact O-N 3.34Å; P148-S151 PolarHBondContact O-OG 2.9Å; P149-S151 PolarHBondContact O-N 2.79Å | ||
| 152 | I | 97.1 | Very high | 98.2 | Very high | 32 Ų | 32 | 26.4 Ų | 26.4 | 16% | 0.164 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 113.8 | 168.8 | -52 | -48 | 0 | 0 | 0 | 108.7 | M18 V21 L38 V51 N62 M63 I64 G150 | M18-I152 HydrophobicContact SD-CG2 4.08Å; V21-I152 HydrophobicContact CB-CG1 4.48Å; V21-I152 HydrophobicContact CG1-CG1 3.86Å; L38-I152 HydrophobicContact CD1-CD1 3.72Å; L38-I152 HydrophobicContact CD1-CG1 4.25Å; L38-I152 HydrophobicContact CD2-CD1 4.39Å; L38-I152 HydrophobicContact CD2-CG1 4.49Å; V51-I152 HydrophobicContact CG1-CG2 4.11Å; N62-I152 HydrophobicContact CB-CG2 3.94Å; M63-I152 WeakPolarHBondContact O-CA 3.31Å; I64-I152 HydrophobicContact CB-CD1 3.97Å; I64-I152 HydrophobicContact CD1-CD1 3.94Å; I64-I152 HydrophobicContact CG1-CD1 3.6Å; I64-I152 HydrophobicContact CG2-CD1 3.86Å; G150-I152 PolarHBondContact O-N 2.82Å |
| 153 | I | 96.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136.6 | -173.6 | 59.1 | 171.7 | 0 | 0 | 0 | 111.8 | M63 V65 E141 W147 V155 | M63-I153 HydrophobicContact CB-CG1 4.09Å; M63-I153 PolarHBondContact N-O 2.91Å; M63-I153 PolarHBondContact O-N 3.38Å; M63-I153 HydrophobicContact SD-CD1 4.24Å; M63-I153 HydrophobicContact SD-CG1 4.48Å; V65-I153 HydrophobicContact CG2-CD1 3.75Å; V65-I153 HydrophobicContact CG2-CG1 4.03Å; E141-I153 HydrophobicContact CB-CD1 4.4Å; E141-I153 HydrophobicContact CG-CD1 3.82Å; W147-I153 HydrophobicContact CD2-CD1 4.46Å; W147-I153 HydrophobicContact CD2-CG2 3.64Å; W147-I153 HydrophobicContact CE3-CG2 3.62Å; W147-I153 HydrophobicContact CG-CD1 4.21Å; W147-I153 HydrophobicContact CG-CG2 4.29Å; W147-I153 HydrophobicContact CH2-CG2 3.77Å; W147-I153 HydrophobicContact CZ2-CG2 3.81Å; W147-I153 HydrophobicContact CZ3-CG2 3.67Å; I153-V155 HydrophobicContact CD1-CG1 3.95Å; I153-V155 HydrophobicContact CG1-CG1 3.82Å; I153-V155 PolarHBondContact O-N 3.28Å |
| 154 | P | 96.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 27.2 Ų | 27.2 | 33% | 0.325 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126.5 | 172.3 | 29.8 | -33.6 | 0 | 0 | 0 | 109.2 | T55 Y61 N177 A178 | T55-P154 HydrophobicContact CG2-CB 3.87Å; Y61-P154 CarbonylContact O-C 3.56Å; Y61-P154 WeakPolarHBondContact O-CA 3.2Å; P154-N177 PolarHBondContact O-ND2 2.69Å; P154-N177 VanDerWaalsContact O-ND2 3.11Å; P154-A178 HydrophobicContact CB-CB 4.16Å; P154-A178 HydrophobicContact CG-CB 4.21Å; P154-A178 PolarHBondContact O-N 3.42Å |
| 155 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.4 | -175.1 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | Y60 Y61 M63 L114 E141 I153 V175 I176 | Y60-V155 WeakPolarHBondContact CA-O 3.21Å; Y61-V155 PolarHBondContact N-O 3.2Å; Y61-V155 WeakPolarHBondContact O-CG2 3.26Å; Y61-V155 PolarHBondContact O-N 3.39Å; M63-V155 HydrophobicContact CB-CG1 3.87Å; M63-V155 HydrophobicContact CB-CG2 3.87Å; M63-V155 HydrophobicContact SD-CG1 4.25Å; L114-V155 HydrophobicContact CD2-CG2 4.42Å; E141-V155 HydrophobicContact CG-CG1 4.09Å; I153-V155 HydrophobicContact CD1-CG1 3.95Å; I153-V155 HydrophobicContact CG1-CG1 3.82Å; I153-V155 PolarHBondContact O-N 3.28Å; V155-V175 HydrophobicContact CB-CB 3.82Å; V155-V175 HydrophobicContact CB-CG1 4.48Å; V155-V175 HydrophobicContact CB-CG2 3.64Å; V155-V175 HydrophobicContact CG1-CG2 3.81Å; V155-V175 HydrophobicContact CG2-CB 4Å; V155-V175 HydrophobicContact CG2-CG1 4.11Å; V155-V175 HydrophobicContact CG2-CG2 3.88Å; V155-I176 CarbonylContact C-O 3.53Å; V155-I176 WeakPolarHBondContact CA-O 3.49Å |
| 156 | K | 97.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 6% | 0.057 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.8 | 173.3 | -167 | 161.7 | 56.8 | 168.5 | 0 | 109.7 | Y60 V175 I176 A183 L186 N187 | Y60-K156 HydrophobicContact CD1-CB 3.9Å; Y60-K156 HydrophobicContact CD1-CG 4.46Å; Y60-K156 HydrophobicContact CE1-CB 3.72Å; Y60-K156 HydrophobicContact CE1-CD 4.07Å; Y60-K156 HydrophobicContact CE1-CG 4.12Å; K156-V175 CarbonylContact O-C 3.56Å; K156-V175 WeakPolarHBondContact O-CA 3.3Å; K156-V175 WeakPolarHBondContact O-CB 3.14Å; K156-I176 HydrophobicContact CB-CG2 4.05Å; K156-I176 PolarHBondContact N-O 2.93Å; K156-I176 PolarHBondContact O-N 3.17Å; K156-A183 WeakPolarHBondContact CE-O 3.31Å; K156-A183 PolarHBondContact NZ-O 2.73Å; K156-L186 WeakPolarHBondContact CE-O 3.28Å; K156-L186 PolarHBondContact NZ-O 2.94Å; K156-N187 PolarHBondContact NZ-OD1 2.91Å |
| 157 | V | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 132.4 | 175.2 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | Y61 V173 V175 K230 A233 I237 | Y61-V157 HydrophobicContact CD2-CG2 3.5Å; Y61-V157 HydrophobicContact CE2-CB 4.45Å; Y61-V157 HydrophobicContact CE2-CG2 3.53Å; Y61-V157 HydrophobicContact CG-CG2 4.49Å; V157-V173 HydrophobicContact CG1-CG1 4.07Å; V157-V173 HydrophobicContact CG2-CG1 4.21Å; V157-V175 HydrophobicContact CG2-CG1 4.11Å; V157-K230 HydrophobicContact CG1-CG 4.46Å; V157-K230 WeakPolarHBondContact O-CD 3.4Å; V157-K230 WeakPolarHBondContact O-CG 3.41Å; V157-A233 HydrophobicContact CG1-CB 3.49Å; V157-A233 VanDerWaalsContact CG1-CB 3.49Å; V157-I237 HydrophobicContact CG1-CD1 4.33Å; V157-I237 HydrophobicContact CG2-CD1 3.63Å |
| 158 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | -38.1 | 178.4 | -57.7 | 177.1 | 0 | 0 | 0 | 111.5 | I142 I174 I176 L186 D188 I189 V192 K230 | I142-L158 HydrophobicContact CD1-CD1 3.73Å; I142-L158 HydrophobicContact CG1-CD1 4.46Å; L158-I174 PolarHBondContact N-O 3.08Å; L158-I176 HydrophobicContact CD1-CB 4.14Å; L158-I176 HydrophobicContact CD1-CG2 3.96Å; L158-I176 HydrophobicContact CD2-CG2 4.21Å; L158-I176 HydrophobicContact CG-CG2 4.25Å; L158-L186 HydrophobicContact CD1-CB 3.85Å; L158-L186 HydrophobicContact CD1-CD1 3.84Å; L158-L186 HydrophobicContact CD1-CG 4.49Å; L158-L186 VanDerWaalsContact CD2-C 3.48Å; L158-L186 HydrophobicContact CD2-CB 3.68Å; L158-L186 VanDerWaalsContact CD2-O 3.24Å; L158-L186 WeakPolarHBondContact CD2-O 3.44Å; L158-L186 HydrophobicContact CG-CB 4.44Å; L158-D188 CarbonylContact O-C 3.59Å; L158-I189 WeakPolarHBondContact O-CA 3.27Å; L158-I189 WeakPolarHBondContact O-CB 3.3Å; L158-I189 PolarHBondContact O-N 2.86Å; L158-V192 HydrophobicContact CB-CG2 4.45Å; L158-V192 HydrophobicContact CD1-CG2 3.77Å; L158-K230 WeakPolarHBondContact O-CA 3.45Å; L158-K230 PolarHBondContact O-N 3.22Å; L158-K230 VanDerWaalsContact O-N 3.09Å |
| 159 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | -166.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | I174 K228 | G159-I174 PolarHBondContact N-O 2.88Å; G159-I174 PolarHBondContact O-N 3.45Å; G159-K228 CarbonylContact C-O 3.52Å; G159-K228 WeakPolarHBondContact CA-O 3.42Å |
| 160 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 147.8 | -175.6 | -163.9 | 171.4 | 0 | 0 | 0 | 111.3 | I137 W171 K172 V173 F227 K228 F232 A233 I236 | I137-I160 HydrophobicContact CD1-CD1 4.21Å; I160-W171 HydrophobicContact CD1-CB 3.9Å; I160-W171 HydrophobicContact CD1-CD2 3.94Å; I160-W171 HydrophobicContact CD1-CE3 3.6Å; I160-W171 HydrophobicContact CD1-CG 4.08Å; I160-W171 HydrophobicContact CD1-CZ3 4.35Å; I160-W171 HydrophobicContact CG1-CB 4.39Å; I160-W171 HydrophobicContact CG1-CD2 4.49Å; I160-W171 HydrophobicContact CG1-CE3 3.75Å; I160-W171 HydrophobicContact CG1-CZ3 4.43Å; I160-W171 HydrophobicContact CG2-CE3 4.43Å; I160-W171 HydrophobicContact CG2-CZ3 4.3Å; I160-K172 CarbonylContact C-O 3.46Å; I160-K172 WeakPolarHBondContact CA-O 3.37Å; I160-V173 HydrophobicContact CD1-CG2 3.8Å; I160-V173 HydrophobicContact CG1-CG2 4.05Å; I160-F227 CarbonylContact O-C 3.57Å; I160-F227 WeakPolarHBondContact O-CA 3.31Å; I160-K228 HydrophobicContact CG2-CB 3.87Å; I160-K228 PolarHBondContact N-O 2.97Å; I160-K228 PolarHBondContact O-N 3.33Å; I160-F232 HydrophobicContact CG2-CD1 3.82Å; I160-F232 HydrophobicContact CG2-CE1 4.35Å; I160-A233 HydrophobicContact CB-CB 3.7Å; I160-A233 HydrophobicContact CG2-CB 3.78Å; I160-I236 HydrophobicContact CD1-CB 3.9Å; I160-I236 HydrophobicContact CD1-CG1 4.2Å; I160-I236 HydrophobicContact CD1-CG2 3.8Å |
| 161 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.3 | 173.4 | -177.2 | 65.6 | 0 | 0 | 0 | 110 | M163 K172 R204 F207 F221 F227 | L161-M163 PolarHBondContact O-N 2.87Å; L161-K172 HydrophobicContact CB-CB 4.29Å; L161-K172 PolarHBondContact N-O 2.9Å; L161-K172 PolarHBondContact O-N 2.92Å; L161-R204 HydrophobicContact CD2-CB 4.3Å; L161-F207 HydrophobicContact CD2-CD2 4.1Å; L161-F221 HydrophobicContact CD1-CD1 3.88Å; L161-F221 HydrophobicContact CD1-CE1 4.35Å; L161-F221 HydrophobicContact CD2-CD1 3.94Å; L161-F221 HydrophobicContact CD2-CE1 3.58Å; L161-F221 HydrophobicContact CD2-CZ 4.48Å; L161-F221 HydrophobicContact CG-CD1 3.81Å; L161-F221 HydrophobicContact CG-CE1 3.99Å; L161-F227 HydrophobicContact CB-CD1 3.81Å; L161-F227 HydrophobicContact CB-CE1 3.67Å; L161-F227 HydrophobicContact CB-CZ 4.34Å; L161-F227 HydrophobicContact CD1-CD1 4.42Å; L161-F227 HydrophobicContact CD1-CD2 4.46Å; L161-F227 HydrophobicContact CD1-CE1 4.33Å; L161-F227 HydrophobicContact CD1-CE2 4.36Å; L161-F227 HydrophobicContact CD1-CG 4.48Å; L161-F227 HydrophobicContact CD1-CZ 4.3Å; L161-F227 HydrophobicContact CD2-CE1 4.11Å; L161-F227 HydrophobicContact CD2-CZ 4.01Å; L161-F227 HydrophobicContact CG-CE1 4.26Å; L161-F227 HydrophobicContact CG-CZ 4.46Å |
| 162 | A | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 87.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T128 W171 F221 A222 F223 | T128-A162 HydrophobicContact CG2-CB 4.32Å; A162-W171 HydrophobicContact CB-CE3 3.82Å; A162-W171 HydrophobicContact CB-CH2 3.66Å; A162-W171 HydrophobicContact CB-CZ3 3.25Å; A162-F221 CarbonylContact O-C 3.59Å; A162-F221 WeakPolarHBondContact O-CA 3.37Å; A162-F221 WeakPolarHBondContact O-CB 3.29Å; A162-A222 HydrophobicContact CB-CB 3.67Å; A162-A222 PolarHBondContact O-N 3.49Å; A162-F223 HydrophobicContact CB-CD2 4.01Å; A162-F223 HydrophobicContact CB-CE2 4.15Å |
| 163 | M | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 143.5 | 175.3 | -172.1 | 171.1 | 70.8 | 0 | 0 | 110.1 | L161 D165 D170 F207 Y210 N219 F221 | L161-M163 PolarHBondContact O-N 2.87Å; M163-D165 HydrophobicContact CE-CB 4.02Å; M163-D170 WeakPolarHBondContact CB-O 3.41Å; M163-D170 HydrophobicContact CE-CB 4.07Å; M163-D170 WeakPolarHBondContact CE-OD2 3.19Å; M163-D170 PolarHBondContact N-O 2.84Å; M163-D170 VanDerWaalsContact N-O 3.12Å; M163-D170 PolarHBondContact O-N 2.73Å; M163-F207 HydrophobicContact CE-CD1 4.09Å; M163-F207 HydrophobicContact SD-CB 3.64Å; M163-F207 HydrophobicContact SD-CD1 3.84Å; M163-F207 HydrophobicContact SD-CG 4.02Å; M163-Y210 HydrophobicContact CE-CE1 4.48Å; M163-N219 HydrophobicContact CG-CB 4.05Å; M163-N219 HydrophobicContact SD-CB 4Å; M163-N219 PolarHBondContact SD-ND2 3.48Å; M163-N219 VanDerWaalsContact SD-ND2 3.38Å; M163-F221 HydrophobicContact CB-CD1 4.05Å; M163-F221 HydrophobicContact CB-CE1 3.95Å; M163-F221 HydrophobicContact CG-CD1 4.27Å; M163-F221 HydrophobicContact CG-CE1 3.89Å; M163-F221 HydrophobicContact SD-CE1 4.39Å |
| 164 | I | 98.2 | Very high | 98 | Very high | 27 Ų | 27 | 18 Ų | 18 | 14% | 0.138 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 104.8 | 167.8 | -47.7 | -60.2 | 0 | 0 | 0 | 107.2 | T128 A130 E168 T220 | T128-I164 HydrophobicContact CG2-CD1 3.65Å; A130-I164 HydrophobicContact CB-CD1 4.41Å; I164-E168 CarbonylContact C-O 3.5Å; I164-E168 VanDerWaalsContact CA-O 3.27Å; I164-E168 WeakPolarHBondContact CA-O 3.37Å; I164-T220 PolarHBondContact N-O 2.89Å |
| 165 | D | 95.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 15.6 Ų | 15.6 | 8% | 0.08 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 109.5 | -179.1 | -161.8 | -2.5 | 0 | 0 | 0 | 110.2 | M163 G167 E168 D170 Y210 K211 N219 | M163-D165 HydrophobicContact CE-CB 4.02Å; D165-G167 PolarHBondContact O-N 2.75Å; D165-E168 PolarHBondContact N-O 3Å; D165-E168 WeakPolarHBondContact O-CB 3.46Å; D165-E168 PolarHBondContact O-N 3.19Å; D165-D170 HydrophobicContact CB-CB 4.21Å; D165-Y210 PolarHBondContact OD2-OH 2.85Å; D165-K211 IonicContact OD1-NZ 2.82Å; D165-K211 PolarHBondContact OD1-NZ 3.04Å; D165-K211 WeakPolarHBondContact OD2-CE 3.44Å; D165-K211 IonicContact OD2-NZ 3.31Å; D165-K211 PolarHBondContact OD2-NZ 3.38Å; D165-N219 PolarHBondContact OD1-OD1 2.79Å |
| 166 | E | 94.2 | Very high | 98.1 | Very high | 115 Ų | 115 | 15.6 Ų | 15.6 | 54% | 0.537 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 27 | 179.9 | -61.8 | -176 | 89 | 0 | 0 | 114.8 | K211 K216 | E166-K211 IonicContact OE2-NZ 3.36Å; E166-K211 PolarHBondContact OE2-NZ 2.94Å; E166-K216 VanDerWaalsContact OE1-CE 3.31Å; E166-K216 WeakPolarHBondContact OE1-CE 3.29Å; E166-K216 IonicContact OE1-NZ 2.8Å; E166-K216 PolarHBondContact OE1-NZ 3.29Å |
| 167 | G | 96.1 | Very high | 98.1 | Very high | 49 Ų | 49 | 15.6 Ų | 15.6 | 51% | 0.505 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | 0.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A130 D165 | A130-G167 VanDerWaalsContact CB-O 3.25Å; A130-G167 WeakPolarHBondContact CB-O 3.31Å; D165-G167 PolarHBondContact O-N 2.75Å |
| 168 | E | 98.1 | Very high | 98 | Very high | 91 Ų | 91 | 16.9 Ų | 16.9 | 43% | 0.425 | 10% | 0.099 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 148.2 | 176.8 | -63.2 | 170.5 | 150.4 | 0 | 0 | 110.3 | K131 D133 I164 D165 | K131-E168 CarbonylContact O-C 3.46Å; K131-E168 WeakPolarHBondContact O-CA 3.48Å; D133-E168 HydrophobicContact CB-CB 4.15Å; I164-E168 CarbonylContact C-O 3.5Å; I164-E168 VanDerWaalsContact CA-O 3.27Å; I164-E168 WeakPolarHBondContact CA-O 3.37Å; D165-E168 PolarHBondContact N-O 3Å; D165-E168 WeakPolarHBondContact O-CB 3.46Å; D165-E168 PolarHBondContact O-N 3.19Å |
| 169 | T | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.9 | 169.5 | -58.3 | 0 | 0 | 0 | 0 | 107.3 | D125 T128 A130 K131 D133 W171 | D125-T169 HydrophobicContact CB-CG2 4.35Å; T128-T169 WeakPolarHBondContact CB-OG1 3.14Å; T128-T169 HydrophobicContact CG2-CG2 3.71Å; T128-T169 PolarHBondContact OG1-OG1 3.24Å; A130-T169 WeakPolarHBondContact CB-OG1 3.48Å; A130-T169 PolarHBondContact O-OG1 2.78Å; K131-T169 WeakPolarHBondContact O-CB 3.35Å; K131-T169 PolarHBondContact O-N 3.41Å; K131-T169 PolarHBondContact O-OG1 2.73Å; D133-T169 PolarHBondContact N-O 2.68Å; T169-W171 HydrophobicContact CG2-CD2 4.33Å; T169-W171 HydrophobicContact CG2-CG 4.16Å; T169-W171 HydrophobicContact CG2-CZ2 4.5Å; T169-W171 VanDerWaalsContact CG2-NE1 3.29Å |
| 170 | D | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 100.3 | 177.7 | -180 | -11.1 | 0 | 0 | 0 | 107.6 | M163 D165 K172 | M163-D170 WeakPolarHBondContact CB-O 3.41Å; M163-D170 HydrophobicContact CE-CB 4.07Å; M163-D170 WeakPolarHBondContact CE-OD2 3.19Å; M163-D170 PolarHBondContact N-O 2.84Å; M163-D170 VanDerWaalsContact N-O 3.12Å; M163-D170 PolarHBondContact O-N 2.73Å; D165-D170 HydrophobicContact CB-CB 4.21Å; D170-K172 WeakPolarHBondContact OD1-CE 3.26Å; D170-K172 IonicContact OD1-NZ 2.75Å; D170-K172 PolarHBondContact OD1-NZ 3.07Å; D170-K172 WeakPolarHBondContact OD2-CE 3.48Å; D170-K172 IonicContact OD2-NZ 3.54Å; D170-K172 PolarHBondContact OD2-NZ 3Å |
| 171 | W | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 122.8 | -174.8 | -77 | 116.1 | 0 | 0 | 0 | 111.4 | E119 N127 T128 I137 D138 I160 A162 T169 F223 F232 I236 | E119-W171 PolarHBondContact OE2-N 3.24Å; N127-W171 HydrophobicContact CB-CH2 4.19Å; N127-W171 HydrophobicContact CB-CZ2 4.29Å; T128-W171 HydrophobicContact CG2-CZ2 4.16Å; I137-W171 HydrophobicContact CD1-CB 3.85Å; I137-W171 HydrophobicContact CD1-CG 4.49Å; I137-W171 HydrophobicContact CG1-CB 3.78Å; D138-W171 WeakPolarHBondContact CB-O 3.47Å; D138-W171 PolarHBondContact N-O 3.2Å; I160-W171 HydrophobicContact CD1-CB 3.9Å; I160-W171 HydrophobicContact CD1-CD2 3.94Å; I160-W171 HydrophobicContact CD1-CE3 3.6Å; I160-W171 HydrophobicContact CD1-CG 4.08Å; I160-W171 HydrophobicContact CD1-CZ3 4.35Å; I160-W171 HydrophobicContact CG1-CB 4.39Å; I160-W171 HydrophobicContact CG1-CD2 4.49Å; I160-W171 HydrophobicContact CG1-CE3 3.75Å; I160-W171 HydrophobicContact CG1-CZ3 4.43Å; I160-W171 HydrophobicContact CG2-CE3 4.43Å; I160-W171 HydrophobicContact CG2-CZ3 4.3Å; A162-W171 HydrophobicContact CB-CE3 3.82Å; A162-W171 HydrophobicContact CB-CH2 3.66Å; A162-W171 HydrophobicContact CB-CZ3 3.25Å; T169-W171 HydrophobicContact CG2-CD2 4.33Å; T169-W171 HydrophobicContact CG2-CG 4.16Å; T169-W171 HydrophobicContact CG2-CZ2 4.5Å; T169-W171 VanDerWaalsContact CG2-NE1 3.29Å; W171-F223 HydrophobicContact CH2-CE2 4.08Å; W171-F223 HydrophobicContact CZ3-CE2 4.45Å; W171-F232 AromaticContact CH2-CE1 3.72Å; W171-F232 HydrophobicContact CH2-CE1 3.72Å; W171-F232 HydrophobicContact CH2-CZ 4.17Å; W171-F232 AromaticContact CZ3-CE1 3.99Å; W171-F232 HydrophobicContact CZ3-CE1 3.99Å; W171-I236 HydrophobicContact CB-CG2 4.41Å; W171-I236 HydrophobicContact CD2-CG1 4.48Å; W171-I236 HydrophobicContact CD2-CG2 3.85Å; W171-I236 HydrophobicContact CG-CG2 3.72Å; W171-I236 HydrophobicContact CH2-CD1 4.18Å; W171-I236 HydrophobicContact CH2-CG1 4.29Å; W171-I236 HydrophobicContact CZ2-CD1 3.75Å; W171-I236 HydrophobicContact CZ2-CG1 4.15Å; W171-I236 HydrophobicContact CZ3-CG1 4.49Å |
| 172 | K | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 98 | 177.1 | -49.3 | -59.1 | -175.7 | -170.9 | 0 | 111.2 | Y111 D138 I160 L161 D170 F207 | Y111-K172 HydrophobicContact CE2-CD 4.47Å; Y111-K172 PolarHBondContact OH-NZ 3.18Å; D138-K172 HydrophobicContact CB-CD 3.64Å; D138-K172 IonicContact OD2-NZ 2.66Å; D138-K172 PolarHBondContact OD2-NZ 2.94Å; I160-K172 CarbonylContact C-O 3.46Å; I160-K172 WeakPolarHBondContact CA-O 3.37Å; L161-K172 HydrophobicContact CB-CB 4.29Å; L161-K172 PolarHBondContact N-O 2.9Å; L161-K172 PolarHBondContact O-N 2.92Å; D170-K172 WeakPolarHBondContact OD1-CE 3.26Å; D170-K172 IonicContact OD1-NZ 2.75Å; D170-K172 PolarHBondContact OD1-NZ 3.07Å; D170-K172 WeakPolarHBondContact OD2-CE 3.48Å; D170-K172 IonicContact OD2-NZ 3.54Å; D170-K172 PolarHBondContact OD2-NZ 3Å; K172-F207 HydrophobicContact CB-CE2 3.93Å; K172-F207 HydrophobicContact CB-CZ 4.09Å; K172-F207 HydrophobicContact CD-CD1 4.4Å; K172-F207 HydrophobicContact CD-CE1 3.71Å; K172-F207 HydrophobicContact CD-CE2 4.27Å; K172-F207 HydrophobicContact CD-CZ 3.63Å; K172-F207 HydrophobicContact CG-CD1 4.28Å; K172-F207 HydrophobicContact CG-CD2 4.13Å; K172-F207 HydrophobicContact CG-CE1 3.91Å; K172-F207 HydrophobicContact CG-CE2 3.71Å; K172-F207 HydrophobicContact CG-CG 4.41Å; K172-F207 HydrophobicContact CG-CZ 3.6Å |
| 173 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 132.7 | 178.2 | -171.4 | 0 | 0 | 0 | 0 | 110.1 | I137 D138 V139 C140 V157 I160 V175 I237 | I137-V173 HydrophobicContact CD1-CG2 3.63Å; I137-V173 HydrophobicContact CG1-CG2 3.99Å; D138-V173 WeakPolarHBondContact O-CB 3.33Å; D138-V173 WeakPolarHBondContact O-CG2 3.18Å; D138-V173 PolarHBondContact O-N 3.2Å; V139-V173 CarbonylContact C-O 3.55Å; V139-V173 WeakPolarHBondContact CA-O 3.07Å; V139-V173 HydrophobicContact CG2-CB 4.28Å; C140-V173 PolarHBondContact N-O 3.08Å; V157-V173 HydrophobicContact CG1-CG1 4.07Å; V157-V173 HydrophobicContact CG2-CG1 4.21Å; I160-V173 HydrophobicContact CD1-CG2 3.8Å; I160-V173 HydrophobicContact CG1-CG2 4.05Å; V173-V175 HydrophobicContact CB-CG1 4.43Å; V173-V175 HydrophobicContact CG1-CG1 3.62Å; V173-I237 HydrophobicContact CG1-CD1 4.04Å; V173-I237 HydrophobicContact CG2-CD1 4.28Å; V173-I237 HydrophobicContact CG2-CG1 4.15Å |
| 174 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.2 | 174.4 | -52.4 | -52 | 0 | 0 | 0 | 108.8 | C140 I142 L158 G159 I189 L200 T203 F227 | C140-I174 HydrophobicContact CB-CD1 3.8Å; I142-I174 HydrophobicContact CD1-CG2 4.03Å; I142-I174 HydrophobicContact CG2-CG2 3.99Å; L158-I174 PolarHBondContact N-O 3.08Å; G159-I174 PolarHBondContact N-O 2.88Å; G159-I174 PolarHBondContact O-N 3.45Å; I174-I189 HydrophobicContact CB-CD1 4.28Å; I174-I189 HydrophobicContact CG1-CD1 4.37Å; I174-I189 HydrophobicContact CG2-CD1 4.39Å; I174-L200 HydrophobicContact CG2-CD2 4.48Å; I174-T203 HydrophobicContact CD1-CG2 4.04Å; I174-F227 HydrophobicContact CD1-CE1 3.93Å; I174-F227 HydrophobicContact CG1-CD1 3.82Å; I174-F227 HydrophobicContact CG1-CE1 3.71Å |
| 175 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 162.2 | -176.5 | -50.3 | 0 | 0 | 0 | 0 | 111.6 | M63 V139 C140 E141 I142 V155 K156 V157 V173 | M63-V175 HydrophobicContact SD-CG2 4.19Å; V139-V175 HydrophobicContact CG1-CB 4.07Å; V139-V175 HydrophobicContact CG1-CG1 3.57Å; V139-V175 HydrophobicContact CG1-CG2 3.27Å; C140-V175 PolarHBondContact O-N 2.75Å; E141-V175 WeakPolarHBondContact CA-O 3.45Å; E141-V175 HydrophobicContact CB-CG2 3.8Å; E141-V175 HydrophobicContact CG-CG2 3.98Å; I142-V175 WeakPolarHBondContact CG1-O 3.48Å; I142-V175 PolarHBondContact N-O 2.69Å; V155-V175 HydrophobicContact CB-CB 3.82Å; V155-V175 HydrophobicContact CB-CG1 4.48Å; V155-V175 HydrophobicContact CB-CG2 3.64Å; V155-V175 HydrophobicContact CG1-CG2 3.81Å; V155-V175 HydrophobicContact CG2-CB 4Å; V155-V175 HydrophobicContact CG2-CG1 4.11Å; V155-V175 HydrophobicContact CG2-CG2 3.88Å; K156-V175 CarbonylContact O-C 3.56Å; K156-V175 WeakPolarHBondContact O-CA 3.3Å; K156-V175 WeakPolarHBondContact O-CB 3.14Å; V157-V175 HydrophobicContact CG2-CG1 4.11Å; V173-V175 HydrophobicContact CB-CG1 4.43Å; V173-V175 HydrophobicContact CG1-CG1 3.62Å |
| 176 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 140.9 | 169.4 | -174.6 | 161.4 | 0 | 0 | 0 | 109.9 | I142 V155 K156 L158 A178 D180 M182 L186 M196 | I142-I176 HydrophobicContact CG1-CB 4.29Å; V155-I176 CarbonylContact C-O 3.53Å; V155-I176 WeakPolarHBondContact CA-O 3.49Å; K156-I176 HydrophobicContact CB-CG2 4.05Å; K156-I176 PolarHBondContact N-O 2.93Å; K156-I176 PolarHBondContact O-N 3.17Å; L158-I176 HydrophobicContact CD1-CB 4.14Å; L158-I176 HydrophobicContact CD1-CG2 3.96Å; L158-I176 HydrophobicContact CD2-CG2 4.21Å; L158-I176 HydrophobicContact CG-CG2 4.25Å; I176-A178 PolarHBondContact O-N 3.43Å; I176-D180 HydrophobicContact CD1-CB 3.9Å; I176-D180 HydrophobicContact CG1-CB 3.76Å; I176-M182 HydrophobicContact CD1-CB 3.96Å; I176-L186 HydrophobicContact CD1-CD1 3.6Å; I176-L186 HydrophobicContact CD1-CG 4.36Å; I176-L186 HydrophobicContact CG2-CB 4.48Å; I176-M196 HydrophobicContact CD1-CE 4.43Å |
| 177 | N | 98.1 | Very high | 97.9 | Very high | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 134.4 | 172.3 | 177 | -107.3 | 0 | 0 | 0 | 110.9 | E141 P154 A179 D180 | E141-N177 HydrophobicContact CG-CB 4.41Å; E141-N177 WeakPolarHBondContact OE1-CB 3.41Å; E141-N177 PolarHBondContact OE1-N 2.88Å; P154-N177 PolarHBondContact O-ND2 2.69Å; P154-N177 VanDerWaalsContact O-ND2 3.11Å; N177-A179 PolarHBondContact O-N 3.16Å; N177-A179 VanDerWaalsContact O-N 3.07Å; N177-A179 WeakPolarHBondContact OD1-CA 3.42Å; N177-A179 WeakPolarHBondContact OD1-CB 3.14Å; N177-A179 PolarHBondContact OD1-N 3.34Å; N177-A179 VanDerWaalsContact OD1-N 3.08Å; N177-D180 HydrophobicContact CB-CB 4.38Å; N177-D180 WeakPolarHBondContact O-CB 3.39Å; N177-D180 PolarHBondContact O-N 2.9Å; N177-D180 PolarHBondContact OD1-N 2.97Å |
| 178 | A | 95.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y60 P154 I176 | Y60-A178 HydrophobicContact CD1-CB 3.71Å; Y60-A178 HydrophobicContact CE1-CB 3.47Å; Y60-A178 VanDerWaalsContact CE1-CB 3.47Å; Y60-A178 HydrophobicContact CG-CB 4.34Å; P154-A178 HydrophobicContact CB-CB 4.16Å; P154-A178 HydrophobicContact CG-CB 4.21Å; P154-A178 PolarHBondContact O-N 3.42Å; I176-A178 PolarHBondContact O-N 3.43Å |
| 179 | A | 95.9 | Very high | 98.1 | Very high | 87 Ų | 87 | 33.9 Ų | 33.9 | 72% | 0.719 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 6.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | N177 | N177-A179 PolarHBondContact O-N 3.16Å; N177-A179 VanDerWaalsContact O-N 3.07Å; N177-A179 WeakPolarHBondContact OD1-CA 3.42Å; N177-A179 WeakPolarHBondContact OD1-CB 3.14Å; N177-A179 PolarHBondContact OD1-N 3.34Å; N177-A179 VanDerWaalsContact OD1-N 3.08Å |
| 180 | D | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 39 Ų | 39 | 9% | 0.086 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -67.9 | 142.3 | 175.5 | -172.3 | -89.4 | 0 | 0 | 0 | 111 | G143 S144 I176 N177 M182 A183 | G143-D180 WeakPolarHBondContact CA-OD2 3.17Å; S144-D180 WeakPolarHBondContact CB-OD2 3.49Å; S144-D180 PolarHBondContact N-OD2 3.29Å; S144-D180 PolarHBondContact OG-OD2 3.43Å; I176-D180 HydrophobicContact CD1-CB 3.9Å; I176-D180 HydrophobicContact CG1-CB 3.76Å; N177-D180 HydrophobicContact CB-CB 4.38Å; N177-D180 WeakPolarHBondContact O-CB 3.39Å; N177-D180 PolarHBondContact O-N 2.9Å; N177-D180 PolarHBondContact OD1-N 2.97Å; D180-M182 PolarHBondContact O-N 3.44Å; D180-M182 VanDerWaalsContact O-N 3.08Å; D180-M182 WeakPolarHBondContact OD1-CB 3.46Å; D180-M182 PolarHBondContact OD1-N 3.25Å; D180-A183 HydrophobicContact CB-CB 4.46Å; D180-A183 WeakPolarHBondContact O-CB 3.28Å; D180-A183 PolarHBondContact O-N 2.91Å |
| 181 | P | 98.1 | Very high | 98.1 | Very high | 115 Ų | 115 | 40 Ų | 40 | 75% | 0.747 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22.9 | 177.8 | -27.4 | 36.2 | 0 | 0 | 0 | 115.6 | ||
| 182 | M | 97.4 | Very high | 98.1 | Very high | 48 Ų | 48 | 39.8 Ų | 39.8 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -8.2 | 175.7 | -156 | 70.1 | 72.2 | 0 | 0 | 112.9 | I176 D180 D184 K185 L186 H195 M196 | I176-M182 HydrophobicContact CD1-CB 3.96Å; D180-M182 PolarHBondContact O-N 3.44Å; D180-M182 VanDerWaalsContact O-N 3.08Å; D180-M182 WeakPolarHBondContact OD1-CB 3.46Å; D180-M182 PolarHBondContact OD1-N 3.25Å; M182-D184 VanDerWaalsContact C-N 3.29Å; M182-D184 PolarHBondContact O-N 2.65Å; M182-K185 HydrophobicContact CG-CB 4.29Å; M182-K185 PolarHBondContact O-N 3.33Å; M182-K185 HydrophobicContact SD-CB 4.07Å; M182-K185 HydrophobicContact SD-CD 3.47Å; M182-K185 WeakPolarHBondContact SD-CD 3.44Å; M182-K185 HydrophobicContact SD-CG 4.38Å; M182-L186 HydrophobicContact CG-CD1 4.13Å; M182-L186 HydrophobicContact CG-CD2 4.16Å; M182-L186 HydrophobicContact CG-CG 3.86Å; M182-L186 PolarHBondContact O-N 3.49Å; M182-H195 HydrophobicContact SD-CB 4.19Å; M182-M196 HydrophobicContact CB-CE 4.04Å; M182-M196 HydrophobicContact CG-CE 3.97Å |
| 183 | A | 97.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -52.6 | -45.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112 | K156 D180 K185 L186 | K156-A183 WeakPolarHBondContact CE-O 3.31Å; K156-A183 PolarHBondContact NZ-O 2.73Å; D180-A183 HydrophobicContact CB-CB 4.46Å; D180-A183 WeakPolarHBondContact O-CB 3.28Å; D180-A183 PolarHBondContact O-N 2.91Å; A183-K185 PolarHBondContact O-N 3.15Å; A183-L186 PolarHBondContact O-N 2.67Å; A183-L186 VanDerWaalsContact O-O 3.07Å |
| 184 | D | 97.3 | Very high | 98 | Very high | 138 Ų | 138 | 48.2 Ų | 48.2 | 74% | 0.738 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -63.8 | -25.7 | -179.1 | -70.1 | -20.7 | 0 | 0 | 0 | 114.1 | M182 N187 | M182-D184 VanDerWaalsContact C-N 3.29Å; M182-D184 PolarHBondContact O-N 2.65Å; D184-N187 PolarHBondContact O-ND2 3.14Å |
| 185 | K | 98.4 | Very high | 98 | Very high | 116 Ų | 116 | 52 Ų | 52 | 50% | 0.504 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -87.8 | -17.7 | -179.6 | -67.2 | 171.7 | 177.5 | 174.7 | 0 | 113.3 | M182 A183 D191 | M182-K185 HydrophobicContact CG-CB 4.29Å; M182-K185 PolarHBondContact O-N 3.33Å; M182-K185 HydrophobicContact SD-CB 4.07Å; M182-K185 HydrophobicContact SD-CD 3.47Å; M182-K185 WeakPolarHBondContact SD-CD 3.44Å; M182-K185 HydrophobicContact SD-CG 4.38Å; A183-K185 PolarHBondContact O-N 3.15Å; K185-D191 WeakPolarHBondContact O-CB 3.49Å |
| 186 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -107.1 | 107.2 | 179.1 | -53.2 | -172.7 | 0 | 0 | 0 | 109.8 | I142 K156 L158 I176 M182 A183 D191 V192 H195 M196 | I142-L186 HydrophobicContact CD1-CD1 3.99Å; K156-L186 WeakPolarHBondContact CE-O 3.28Å; K156-L186 PolarHBondContact NZ-O 2.94Å; L158-L186 HydrophobicContact CD1-CB 3.85Å; L158-L186 HydrophobicContact CD1-CD1 3.84Å; L158-L186 HydrophobicContact CD1-CG 4.49Å; L158-L186 VanDerWaalsContact CD2-C 3.48Å; L158-L186 HydrophobicContact CD2-CB 3.68Å; L158-L186 VanDerWaalsContact CD2-O 3.24Å; L158-L186 WeakPolarHBondContact CD2-O 3.44Å; L158-L186 HydrophobicContact CG-CB 4.44Å; I176-L186 HydrophobicContact CD1-CD1 3.6Å; I176-L186 HydrophobicContact CD1-CG 4.36Å; I176-L186 HydrophobicContact CG2-CB 4.48Å; M182-L186 HydrophobicContact CG-CD1 4.13Å; M182-L186 HydrophobicContact CG-CD2 4.16Å; M182-L186 HydrophobicContact CG-CG 3.86Å; M182-L186 PolarHBondContact O-N 3.49Å; A183-L186 PolarHBondContact O-N 2.67Å; A183-L186 VanDerWaalsContact O-O 3.07Å; L186-D191 HydrophobicContact CB-CB 4.46Å; L186-D191 HydrophobicContact CD2-CB 3.77Å; L186-D191 WeakPolarHBondContact CD2-O 3.49Å; L186-V192 HydrophobicContact CD1-CG2 4.44Å; L186-H195 HydrophobicContact CD2-CB 3.94Å; L186-M196 HydrophobicContact CD1-CE 3.89Å; L186-M196 HydrophobicContact CD1-SD 4.01Å | ||
| 187 | N | 97.9 | Very high | 98 | Very high | 79 Ų | 79 | 59 Ų | 59 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -122 | -19 | -178.6 | -64.7 | -64.3 | 0 | 0 | 0 | 113.2 | K156 D184 D191 K230 | K156-N187 PolarHBondContact NZ-OD1 2.91Å; D184-N187 PolarHBondContact O-ND2 3.14Å; N187-D191 WeakPolarHBondContact CA-OD2 3.22Å; N187-D191 PolarHBondContact N-OD2 2.98Å; N187-K230 VanDerWaalsContact O-CD 3.27Å; N187-K230 WeakPolarHBondContact O-CD 3.4Å |
| 188 | D | 98.7 | Very high | 97.9 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 20% | 0.203 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -147.6 | 175.5 | 171 | -150.9 | -33.4 | 0 | 0 | 0 | 110.1 | L158 H190 D191 N229 K230 | L158-D188 CarbonylContact O-C 3.59Å; D188-H190 VanDerWaalsContact C-N 3.3Å; D188-H190 PolarHBondContact O-N 3.3Å; D188-D191 PolarHBondContact N-OD2 3.36Å; D188-D191 WeakPolarHBondContact O-CB 3.37Å; D188-D191 PolarHBondContact O-N 3.03Å; D188-N229 VanDerWaalsContact OD1-CA 3.3Å; D188-N229 WeakPolarHBondContact OD1-CA 2.98Å; D188-N229 WeakPolarHBondContact OD1-CB 3Å; D188-K230 PolarHBondContact OD1-N 3.05Å |
| 189 | I | 98.7 | Very high | 98 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 9% | 0.087 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.6 | -32 | -169.6 | -166 | 57.5 | 0 | 0 | 0 | 113.5 | L158 I174 D191 V192 L200 F227 N229 | L158-I189 WeakPolarHBondContact O-CA 3.27Å; L158-I189 WeakPolarHBondContact O-CB 3.3Å; L158-I189 PolarHBondContact O-N 2.86Å; I174-I189 HydrophobicContact CB-CD1 4.28Å; I174-I189 HydrophobicContact CG1-CD1 4.37Å; I174-I189 HydrophobicContact CG2-CD1 4.39Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 3.29Å; I189-V192 HydrophobicContact CD1-CG2 4.36Å; I189-V192 WeakPolarHBondContact O-CB 3.2Å; I189-V192 PolarHBondContact O-N 3.3Å; I189-L200 HydrophobicContact CD1-CD1 3.76Å; I189-L200 HydrophobicContact CD1-CD2 3.76Å; I189-L200 HydrophobicContact CD1-CG 4.44Å; I189-L200 HydrophobicContact CG1-CD1 3.84Å; I189-F227 HydrophobicContact CD1-CB 4.04Å; I189-F227 HydrophobicContact CD1-CD1 4.18Å; I189-F227 HydrophobicContact CD1-CG 4.27Å; I189-F227 HydrophobicContact CG1-CB 3.57Å; I189-F227 HydrophobicContact CG1-CG 4.27Å; I189-N229 HydrophobicContact CG2-CB 4.32Å |
| 190 | H | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 56.9 Ų | 56.9 | 51% | 0.505 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.5 | -22.9 | 180 | 66 | -85.2 | 0 | 0 | 0 | 113.2 | D188 V192 D193 T194 | D188-H190 VanDerWaalsContact C-N 3.3Å; D188-H190 PolarHBondContact O-N 3.3Å; H190-V192 PolarHBondContact O-N 2.84Å; H190-D193 PolarHBondContact O-N 3.27Å; H190-T194 PolarHBondContact O-N 3.25Å; H190-T194 PolarHBondContact O-OG1 3.32Å |
| 191 | D | 98.8 | Very high | 98.1 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 14% | 0.139 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -29 | 174 | -63 | -39.8 | 0 | 0 | 0 | 110.8 | K185 L186 N187 D188 I189 T194 H195 | K185-D191 WeakPolarHBondContact O-CB 3.49Å; L186-D191 HydrophobicContact CB-CB 4.46Å; L186-D191 HydrophobicContact CD2-CB 3.77Å; L186-D191 WeakPolarHBondContact CD2-O 3.49Å; N187-D191 WeakPolarHBondContact CA-OD2 3.22Å; N187-D191 PolarHBondContact N-OD2 2.98Å; D188-D191 PolarHBondContact N-OD2 3.36Å; D188-D191 WeakPolarHBondContact O-CB 3.37Å; D188-D191 PolarHBondContact O-N 3.03Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 3.29Å; D191-T194 PolarHBondContact O-N 3.32Å; D191-H195 WeakPolarHBondContact O-CB 3.36Å; D191-H195 PolarHBondContact O-CD2 2.9Å; D191-H195 PolarHBondContact O-N 2.86Å |
| 192 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 176.6 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | I142 L158 L186 I189 H190 T194 H195 M196 L199 L200 | I142-V192 HydrophobicContact CD1-CG1 3.93Å; I142-V192 HydrophobicContact CD1-CG2 3.92Å; L158-V192 HydrophobicContact CB-CG2 4.45Å; L158-V192 HydrophobicContact CD1-CG2 3.77Å; L186-V192 HydrophobicContact CD1-CG2 4.44Å; I189-V192 HydrophobicContact CD1-CG2 4.36Å; I189-V192 WeakPolarHBondContact O-CB 3.2Å; I189-V192 PolarHBondContact O-N 3.3Å; H190-V192 PolarHBondContact O-N 2.84Å; V192-T194 PolarHBondContact O-N 2.97Å; V192-H195 PolarHBondContact O-N 3.18Å; V192-M196 HydrophobicContact CG1-CB 4.14Å; V192-M196 HydrophobicContact CG1-SD 4.47Å; V192-M196 CarbonylContact O-C 3.58Å; V192-M196 WeakPolarHBondContact O-CA 3.45Å; V192-M196 WeakPolarHBondContact O-CB 3.46Å; V192-M196 PolarHBondContact O-N 2.97Å; V192-L199 HydrophobicContact CG1-CB 4.44Å; V192-L199 HydrophobicContact CG1-CD2 4.03Å; V192-L200 HydrophobicContact CB-CD1 4.14Å; V192-L200 HydrophobicContact CB-CD2 4.22Å; V192-L200 HydrophobicContact CB-CG 4.09Å; V192-L200 HydrophobicContact CG1-CD1 4.39Å; V192-L200 HydrophobicContact CG1-CD2 3.8Å; V192-L200 HydrophobicContact CG1-CG 3.78Å |
| 193 | D | 98.1 | Very high | 98.2 | Very high | 85 Ų | 85 | 53.9 Ų | 53.9 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.8 | -31.7 | 176 | -80.1 | -33.8 | 0 | 0 | 0 | 112.3 | H190 | H190-D193 PolarHBondContact O-N 3.27Å |
| 194 | T | 98.4 | Very high | 98.2 | Very high | 95 Ų | 95 | 57.3 Ų | 57.3 | 58% | 0.583 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -71.1 | -43.1 | 178.9 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | H190 D191 V192 | H190-T194 PolarHBondContact O-N 3.25Å; H190-T194 PolarHBondContact O-OG1 3.32Å; D191-T194 PolarHBondContact O-N 3.32Å; V192-T194 PolarHBondContact O-N 2.97Å |
| 195 | H | 98.5 | Very high | 98.2 | Very high | 81 Ų | 81 | 51.8 Ų | 51.8 | 38% | 0.375 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -105.7 | -19.3 | -171.7 | -68.7 | -57.3 | 0 | 0 | 0 | 114.6 | M182 L186 D191 V192 | M182-H195 HydrophobicContact SD-CB 4.19Å; L186-H195 HydrophobicContact CD2-CB 3.94Å; D191-H195 WeakPolarHBondContact O-CB 3.36Å; D191-H195 PolarHBondContact O-CD2 2.9Å; D191-H195 PolarHBondContact O-N 2.86Å; V192-H195 PolarHBondContact O-N 3.18Å |
| 196 | M | 98.1 | Very high | 98.1 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -132.9 | 58.6 | -179.4 | -59.5 | -178.8 | 168 | 0 | 0 | 110.1 | I142 I176 M182 L186 V192 G198 L199 | I142-M196 HydrophobicContact CD1-SD 3.86Å; I142-M196 HydrophobicContact CG1-SD 4.19Å; I176-M196 HydrophobicContact CD1-CE 4.43Å; M182-M196 HydrophobicContact CB-CE 4.04Å; M182-M196 HydrophobicContact CG-CE 3.97Å; L186-M196 HydrophobicContact CD1-CE 3.89Å; L186-M196 HydrophobicContact CD1-SD 4.01Å; V192-M196 HydrophobicContact CG1-CB 4.14Å; V192-M196 HydrophobicContact CG1-SD 4.47Å; V192-M196 CarbonylContact O-C 3.58Å; V192-M196 WeakPolarHBondContact O-CA 3.45Å; V192-M196 WeakPolarHBondContact O-CB 3.46Å; V192-M196 PolarHBondContact O-N 2.97Å; M196-G198 PolarHBondContact O-N 3.14Å; M196-L199 HydrophobicContact CB-CB 4.13Å; M196-L199 HydrophobicContact CB-CD2 4.09Å; M196-L199 VanDerWaalsContact O-CB 3.24Å; M196-L199 WeakPolarHBondContact O-CB 3.49Å; M196-L199 PolarHBondContact O-N 3.09Å; M196-L199 VanDerWaalsContact O-N 3.13Å; M196-L199 HydrophobicContact SD-CD2 3.7Å |
| 197 | P | 98 | Very high | 98.1 | Very high | 107 Ų | 107 | 46.7 Ų | 46.7 | 70% | 0.695 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 134.9 | -171.4 | 24.8 | -35.7 | 0 | 0 | 0 | 112 | L199 | P197-L199 VanDerWaalsContact C-N 3.28Å; P197-L199 PolarHBondContact O-N 2.91Å |
| 198 | G | 97.4 | Very high | 98.1 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 43% | 0.433 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.9 | -13.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | M196 K201 A202 | M196-G198 PolarHBondContact O-N 3.14Å; G198-K201 PolarHBondContact O-N 3.45Å; G198-A202 WeakPolarHBondContact O-CB 3.37Å; G198-A202 PolarHBondContact O-N 3.2Å |
| 199 | L | 98.5 | Very high | 98 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 19% | 0.194 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -48.5 | 179.9 | -179.8 | 63.4 | 0 | 0 | 0 | 112 | I142 V192 M196 P197 K201 A202 T203 | I142-L199 HydrophobicContact CB-CD2 3.82Å; I142-L199 HydrophobicContact CD1-CD2 4.01Å; I142-L199 HydrophobicContact CG1-CD2 4.41Å; I142-L199 HydrophobicContact CG2-CD2 3.97Å; V192-L199 HydrophobicContact CG1-CB 4.44Å; V192-L199 HydrophobicContact CG1-CD2 4.03Å; M196-L199 HydrophobicContact CB-CB 4.13Å; M196-L199 HydrophobicContact CB-CD2 4.09Å; M196-L199 VanDerWaalsContact O-CB 3.24Å; M196-L199 WeakPolarHBondContact O-CB 3.49Å; M196-L199 PolarHBondContact O-N 3.09Å; M196-L199 VanDerWaalsContact O-N 3.13Å; M196-L199 HydrophobicContact SD-CD2 3.7Å; P197-L199 VanDerWaalsContact C-N 3.28Å; P197-L199 PolarHBondContact O-N 2.91Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.2Å; L199-A202 PolarHBondContact O-N 3.27Å; L199-T203 WeakPolarHBondContact O-CB 3.49Å; L199-T203 PolarHBondContact O-N 3.23Å; L199-T203 PolarHBondContact O-OG1 2.6Å |
| 200 | L | 98.7 | Very high | 97.9 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 179.5 | -66.5 | -172 | 0 | 0 | 0 | 112.4 | I174 I189 V192 T203 R204 F227 | I174-L200 HydrophobicContact CG2-CD2 4.48Å; I189-L200 HydrophobicContact CD1-CD1 3.76Å; I189-L200 HydrophobicContact CD1-CD2 3.76Å; I189-L200 HydrophobicContact CD1-CG 4.44Å; I189-L200 HydrophobicContact CG1-CD1 3.84Å; V192-L200 HydrophobicContact CB-CD1 4.14Å; V192-L200 HydrophobicContact CB-CD2 4.22Å; V192-L200 HydrophobicContact CB-CG 4.09Å; V192-L200 HydrophobicContact CG1-CD1 4.39Å; V192-L200 HydrophobicContact CG1-CD2 3.8Å; V192-L200 HydrophobicContact CG1-CG 3.78Å; L200-T203 WeakPolarHBondContact O-CB 3.38Å; L200-T203 PolarHBondContact O-N 3Å; L200-R204 PolarHBondContact O-N 2.76Å; L200-F227 HydrophobicContact CB-CD2 4.07Å; L200-F227 HydrophobicContact CB-CE2 3.67Å; L200-F227 HydrophobicContact CB-CZ 4.1Å; L200-F227 HydrophobicContact CD1-CD2 4.19Å; L200-F227 HydrophobicContact CD1-CG 4.4Å; L200-F227 HydrophobicContact CD2-CD1 4.21Å; L200-F227 HydrophobicContact CD2-CD2 4.44Å; L200-F227 HydrophobicContact CD2-CE1 4.01Å; L200-F227 HydrophobicContact CD2-CE2 4.27Å; L200-F227 HydrophobicContact CD2-CG 4.43Å; L200-F227 HydrophobicContact CD2-CZ 4.05Å; L200-F227 HydrophobicContact CG-CD2 4.48Å; L200-F227 HydrophobicContact CG-CE2 4.39Å; L200-F227 VanDerWaalsContact O-CE2 3.28Å; L200-F227 WeakPolarHBondContact O-CE2 3.43Å; L200-F227 WeakPolarHBondContact O-CZ 3.34Å |
| 201 | K | 97.4 | Very high | 97.8 | Very high | 95 Ų | 95 | 39.6 Ų | 39.6 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.6 | -49 | 173.2 | -177.4 | -176.1 | -179.9 | -63.6 | 0 | 111 | G198 L199 T203 R204 D205 | G198-K201 PolarHBondContact O-N 3.45Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.2Å; K201-T203 VanDerWaalsContact C-N 3.26Å; K201-T203 PolarHBondContact O-N 3.41Å; K201-R204 PolarHBondContact O-N 3.05Å; K201-D205 IonicContact NZ-OD2 3.64Å; K201-D205 PolarHBondContact NZ-OD2 2.97Å; K201-D205 WeakPolarHBondContact O-CB 3.29Å; K201-D205 PolarHBondContact O-N 2.81Å |
| 202 | A | 97.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 40.3 Ų | 40.3 | 17% | 0.165 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I108 G198 L199 D205 W206 | I108-A202 HydrophobicContact CD1-CB 3.83Å; G198-A202 WeakPolarHBondContact O-CB 3.37Å; G198-A202 PolarHBondContact O-N 3.2Å; L199-A202 PolarHBondContact O-N 3.27Å; A202-D205 PolarHBondContact O-N 3.05Å; A202-W206 VanDerWaalsContact O-CB 3.31Å; A202-W206 WeakPolarHBondContact O-CB 3.35Å; A202-W206 PolarHBondContact O-N 3.46Å |
| 203 | T | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.4 | -52 | 176.8 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | W109 I174 L199 L200 K201 W206 F207 F227 | W109-T203 HydrophobicContact CZ2-CG2 3.58Å; W109-T203 PolarHBondContact NE1-OG1 2.95Å; I174-T203 HydrophobicContact CD1-CG2 4.04Å; L199-T203 WeakPolarHBondContact O-CB 3.49Å; L199-T203 PolarHBondContact O-N 3.23Å; L199-T203 PolarHBondContact O-OG1 2.6Å; L200-T203 WeakPolarHBondContact O-CB 3.38Å; L200-T203 PolarHBondContact O-N 3Å; K201-T203 VanDerWaalsContact C-N 3.26Å; K201-T203 PolarHBondContact O-N 3.41Å; T203-W206 WeakPolarHBondContact O-CB 3.39Å; T203-W206 PolarHBondContact O-N 3.47Å; T203-F207 HydrophobicContact CG2-CD2 4.05Å; T203-F207 HydrophobicContact CG2-CE2 3.9Å; T203-F207 VanDerWaalsContact O-CD2 3.26Å; T203-F207 WeakPolarHBondContact O-CD2 2.9Å; T203-F207 PolarHBondContact O-N 2.87Å; T203-F207 VanDerWaalsContact O-N 3.15Å; T203-F227 HydrophobicContact CG2-CE1 4.09Å; T203-F227 HydrophobicContact CG2-CZ 3.9Å |
| 204 | R | 98 | Very high | 97.3 | Very high | 74 Ų | 74 | 41.1 Ų | 41.1 | 28% | 0.279 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 178.1 | 177.9 | 177 | 59.7 | -126.3 | -7.4 | 111.9 | L161 L200 K201 W206 F207 K208 F221 G225 F227 | L161-R204 HydrophobicContact CD2-CB 4.3Å; L200-R204 PolarHBondContact O-N 2.76Å; K201-R204 PolarHBondContact O-N 3.05Å; R204-W206 VanDerWaalsContact C-N 3.31Å; R204-W206 PolarHBondContact O-N 2.9Å; R204-F207 PolarHBondContact O-N 2.98Å; R204-K208 VanDerWaalsContact O-CB 3.32Å; R204-K208 WeakPolarHBondContact O-CB 3.28Å; R204-K208 PolarHBondContact O-N 2.65Å; R204-F221 HydrophobicContact CG-CD2 4.45Å; R204-F221 HydrophobicContact CG-CE1 4.43Å; R204-F221 HydrophobicContact CG-CE2 4Å; R204-F221 HydrophobicContact CG-CZ 3.98Å; R204-G225 WeakPolarHBondContact CD-O 3.3Å; R204-G225 PolarHBondContact NH1-O 2.91Å; R204-F227 HydrophobicContact CB-CE2 4.18Å; R204-F227 HydrophobicContact CB-CZ 4.29Å |
| 205 | D | 96.9 | Very high | 97.1 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -39.7 | 178.8 | -72.9 | -4.2 | 0 | 0 | 0 | 110.7 | K201 A202 K208 Y209 N304 | K201-D205 IonicContact NZ-OD2 3.64Å; K201-D205 PolarHBondContact NZ-OD2 2.97Å; K201-D205 WeakPolarHBondContact O-CB 3.29Å; K201-D205 PolarHBondContact O-N 2.81Å; A202-D205 PolarHBondContact O-N 3.05Å; D205-K208 WeakPolarHBondContact O-CB 3.43Å; D205-K208 PolarHBondContact O-N 2.8Å; D205-Y209 HydrophobicContact CB-CD2 4.29Å; D205-Y209 HydrophobicContact CB-CE2 4.25Å; D205-Y209 WeakPolarHBondContact O-CD2 3.38Å; D205-Y209 PolarHBondContact O-N 2.82Å; D205-N304 PolarHBondContact OD2-ND2 2.99Å |
| 206 | W | 97.4 | Very high | 97 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.7 | -54.2 | 174.5 | -169.1 | 100.6 | 0 | 0 | 0 | 111.1 | V98 G106 Y107 I108 W109 A202 T203 R204 K208 Y209 Y210 | V98-W206 HydrophobicContact CG1-CH2 4.09Å; V98-W206 HydrophobicContact CG1-CZ2 3.79Å; G106-W206 PolarHBondContact O-NE1 3.11Å; Y107-W206 AromaticContact CD1-CH2 3.78Å; Y107-W206 HydrophobicContact CD1-CH2 3.78Å; Y107-W206 AromaticContact CD1-CZ2 3.95Å; Y107-W206 HydrophobicContact CD1-CZ2 3.95Å; Y107-W206 HydrophobicContact CD2-CH2 4.42Å; Y107-W206 HydrophobicContact CD2-CZ2 4.1Å; Y107-W206 AromaticContact CE1-CH2 3.51Å; Y107-W206 HydrophobicContact CE1-CH2 3.51Å; Y107-W206 HydrophobicContact CE1-CZ2 4.08Å; Y107-W206 HydrophobicContact CE1-CZ3 4.27Å; Y107-W206 HydrophobicContact CE2-CH2 4.17Å; Y107-W206 HydrophobicContact CE2-CZ2 4.21Å; Y107-W206 HydrophobicContact CG-CH2 4.25Å; Y107-W206 AromaticContact CG-CZ2 3.97Å; Y107-W206 HydrophobicContact CG-CZ2 3.97Å; Y107-W206 AromaticContact CZ-CH2 3.73Å; I108-W206 HydrophobicContact CD1-CB 4.41Å; W109-W206 HydrophobicContact CH2-CB 4.4Å; W109-W206 AromaticContact CH2-CD2 3.78Å; W109-W206 HydrophobicContact CH2-CD2 3.78Å; W109-W206 AromaticContact CH2-CE3 3.54Å; W109-W206 HydrophobicContact CH2-CE3 3.54Å; W109-W206 HydrophobicContact CH2-CG 4.16Å; W109-W206 HydrophobicContact CH2-CZ3 4.11Å; W109-W206 HydrophobicContact CZ2-CB 4.28Å; W109-W206 HydrophobicContact CZ2-CD2 4.46Å; W109-W206 HydrophobicContact CZ2-CE3 4.49Å; W109-W206 HydrophobicContact CZ2-CG 4.38Å; W109-W206 HydrophobicContact CZ3-CD2 4.47Å; W109-W206 HydrophobicContact CZ3-CE3 4.2Å; W109-W206 HydrophobicContact CZ3-CZ3 4.35Å; A202-W206 VanDerWaalsContact O-CB 3.31Å; A202-W206 WeakPolarHBondContact O-CB 3.35Å; A202-W206 PolarHBondContact O-N 3.46Å; T203-W206 WeakPolarHBondContact O-CB 3.39Å; T203-W206 PolarHBondContact O-N 3.47Å; R204-W206 VanDerWaalsContact C-N 3.31Å; R204-W206 PolarHBondContact O-N 2.9Å; W206-K208 PolarHBondContact O-N 2.83Å; W206-Y209 PolarHBondContact O-N 3.01Å; W206-Y210 HydrophobicContact CE3-CD1 4.29Å; W206-Y210 HydrophobicContact CE3-CG 4.22Å; W206-Y210 HydrophobicContact CH2-CD2 4.02Å; W206-Y210 HydrophobicContact CH2-CG 4.03Å; W206-Y210 AromaticContact CZ3-CD1 3.98Å; W206-Y210 HydrophobicContact CZ3-CD1 3.98Å; W206-Y210 HydrophobicContact CZ3-CD2 4.12Å; W206-Y210 HydrophobicContact CZ3-CE1 4.47Å; W206-Y210 AromaticContact CZ3-CG 3.77Å; W206-Y210 HydrophobicContact CZ3-CG 3.77Å; W206-Y210 WeakPolarHBondContact O-CB 3.45Å; W206-Y210 PolarHBondContact O-N 2.95Å |
| 207 | F | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -30 | 179.1 | -79.5 | -57.6 | 0 | 0 | 0 | 113.5 | W109 Y111 L161 M163 K172 T203 R204 Y210 N219 F221 | W109-F207 HydrophobicContact CH2-CD1 4.5Å; W109-F207 AromaticContact CH2-CD2 3.88Å; W109-F207 HydrophobicContact CH2-CD2 3.88Å; W109-F207 AromaticContact CH2-CE1 3.9Å; W109-F207 HydrophobicContact CH2-CE1 3.9Å; W109-F207 AromaticContact CH2-CE2 3.2Å; W109-F207 HydrophobicContact CH2-CE2 3.2Å; W109-F207 HydrophobicContact CH2-CG 4.47Å; W109-F207 AromaticContact CH2-CZ 3.19Å; W109-F207 HydrophobicContact CH2-CZ 3.19Å; W109-F207 HydrophobicContact CZ2-CD2 4.19Å; W109-F207 AromaticContact CZ2-CE2 3.64Å; W109-F207 HydrophobicContact CZ2-CE2 3.64Å; W109-F207 HydrophobicContact CZ2-CZ 4.09Å; W109-F207 HydrophobicContact CZ3-CE1 4.18Å; W109-F207 AromaticContact CZ3-CE2 3.9Å; W109-F207 HydrophobicContact CZ3-CE2 3.9Å; W109-F207 AromaticContact CZ3-CZ 3.47Å; W109-F207 HydrophobicContact CZ3-CZ 3.47Å; W109-F207 VanDerWaalsContact CZ3-CZ 3.47Å; Y111-F207 HydrophobicContact CE2-CE1 4.19Å; Y111-F207 AromaticContact CE2-CZ 3.86Å; Y111-F207 HydrophobicContact CE2-CZ 3.86Å; L161-F207 HydrophobicContact CD2-CD2 4.1Å; M163-F207 HydrophobicContact CE-CD1 4.09Å; M163-F207 HydrophobicContact SD-CB 3.64Å; M163-F207 HydrophobicContact SD-CD1 3.84Å; M163-F207 HydrophobicContact SD-CG 4.02Å; K172-F207 HydrophobicContact CB-CE2 3.93Å; K172-F207 HydrophobicContact CB-CZ 4.09Å; K172-F207 HydrophobicContact CD-CD1 4.4Å; K172-F207 HydrophobicContact CD-CE1 3.71Å; K172-F207 HydrophobicContact CD-CE2 4.27Å; K172-F207 HydrophobicContact CD-CZ 3.63Å; K172-F207 HydrophobicContact CG-CD1 4.28Å; K172-F207 HydrophobicContact CG-CD2 4.13Å; K172-F207 HydrophobicContact CG-CE1 3.91Å; K172-F207 HydrophobicContact CG-CE2 3.71Å; K172-F207 HydrophobicContact CG-CG 4.41Å; K172-F207 HydrophobicContact CG-CZ 3.6Å; T203-F207 HydrophobicContact CG2-CD2 4.05Å; T203-F207 HydrophobicContact CG2-CE2 3.9Å; T203-F207 VanDerWaalsContact O-CD2 3.26Å; T203-F207 WeakPolarHBondContact O-CD2 2.9Å; T203-F207 PolarHBondContact O-N 2.87Å; T203-F207 VanDerWaalsContact O-N 3.15Å; R204-F207 PolarHBondContact O-N 2.98Å; F207-Y210 WeakPolarHBondContact O-CD1 3.5Å; F207-N219 WeakPolarHBondContact O-CB 3.49Å; F207-N219 PolarHBondContact O-ND2 3.39Å; F207-N219 VanDerWaalsContact O-ND2 3.15Å; F207-F221 HydrophobicContact CB-CE1 4.1Å; F207-F221 HydrophobicContact CB-CZ 4.06Å |
| 208 | K | 97.2 | Very high | 96.8 | Very high | 51 Ų | 51 | 42 Ų | 42 | 22% | 0.222 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 176.5 | -169.9 | 175 | -174.4 | -136.5 | 0 | 112.2 | R204 D205 W206 E218 N219 F221 | R204-K208 VanDerWaalsContact O-CB 3.32Å; R204-K208 WeakPolarHBondContact O-CB 3.28Å; R204-K208 PolarHBondContact O-N 2.65Å; D205-K208 WeakPolarHBondContact O-CB 3.43Å; D205-K208 PolarHBondContact O-N 2.8Å; W206-K208 PolarHBondContact O-N 2.83Å; K208-E218 WeakPolarHBondContact CE-OE2 3.35Å; K208-E218 HydrophobicContact CG-CB 4.14Å; K208-E218 IonicContact NZ-OE1 2.78Å; K208-E218 IonicContact NZ-OE2 2.69Å; K208-E218 PolarHBondContact NZ-OE2 3.27Å; K208-E218 WeakPolarHBondContact O-CA 3.43Å; K208-N219 PolarHBondContact O-N 2.79Å; K208-F221 HydrophobicContact CB-CE2 3.88Å; K208-F221 HydrophobicContact CB-CZ 4.03Å; K208-F221 HydrophobicContact CD-CE2 4.48Å; K208-F221 HydrophobicContact CG-CE2 4.12Å |
| 209 | Y | 97 | Very high | 96.8 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -108.7 | -13.6 | -167.3 | -60.3 | -65.3 | 0 | 0 | 0 | 115.3 | D205 W206 K211 V212 P213 E218 C303 N304 | D205-Y209 HydrophobicContact CB-CD2 4.29Å; D205-Y209 HydrophobicContact CB-CE2 4.25Å; D205-Y209 WeakPolarHBondContact O-CD2 3.38Å; D205-Y209 PolarHBondContact O-N 2.82Å; W206-Y209 PolarHBondContact O-N 3.01Å; Y209-K211 PolarHBondContact O-N 3.42Å; Y209-V212 HydrophobicContact CD1-CG2 4.24Å; Y209-V212 VanDerWaalsContact O-CB 3.3Å; Y209-V212 WeakPolarHBondContact O-CB 3.46Å; Y209-V212 PolarHBondContact O-N 3.19Å; Y209-P213 WeakPolarHBondContact O-CD 3.49Å; Y209-E218 HydrophobicContact CD1-CG 4.04Å; Y209-E218 HydrophobicContact CE1-CG 3.91Å; Y209-E218 WeakPolarHBondContact CE1-OE1 3.3Å; Y209-C303 HydrophobicContact CD1-CB 4.39Å; Y209-C303 HydrophobicContact CG-CB 4.46Å; Y209-N304 HydrophobicContact CD2-CB 3.79Å; Y209-N304 HydrophobicContact CE2-CB 3.6Å; Y209-N304 PolarHBondContact OH-OD1 3.22Å |
| 210 | Y | 96.1 | Very high | 96.8 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 7% | 0.071 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.5 | -168.9 | 83.9 | -78.5 | 0 | 0 | 0 | 115.1 | V98 M163 D165 W206 F207 N219 | V98-Y210 HydrophobicContact CG1-CD2 3.89Å; M163-Y210 HydrophobicContact CE-CE1 4.48Å; D165-Y210 PolarHBondContact OD2-OH 2.85Å; W206-Y210 HydrophobicContact CE3-CD1 4.29Å; W206-Y210 HydrophobicContact CE3-CG 4.22Å; W206-Y210 HydrophobicContact CH2-CD2 4.02Å; W206-Y210 HydrophobicContact CH2-CG 4.03Å; W206-Y210 AromaticContact CZ3-CD1 3.98Å; W206-Y210 HydrophobicContact CZ3-CD1 3.98Å; W206-Y210 HydrophobicContact CZ3-CD2 4.12Å; W206-Y210 HydrophobicContact CZ3-CE1 4.47Å; W206-Y210 AromaticContact CZ3-CG 3.77Å; W206-Y210 HydrophobicContact CZ3-CG 3.77Å; W206-Y210 WeakPolarHBondContact O-CB 3.45Å; W206-Y210 PolarHBondContact O-N 2.95Å; F207-Y210 WeakPolarHBondContact O-CD1 3.5Å; Y210-N219 WeakPolarHBondContact CE1-ND2 3.18Å |
| 211 | K | 96 | Very high | 96.8 | Very high | 20 Ų | 20 | 44 Ų | 44 | 9% | 0.087 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -14 | 175.7 | -72.9 | -178.9 | 163.6 | 179.4 | 0 | 113.9 | D165 E166 Y209 T214 K216 | D165-K211 IonicContact OD1-NZ 2.82Å; D165-K211 PolarHBondContact OD1-NZ 3.04Å; D165-K211 WeakPolarHBondContact OD2-CE 3.44Å; D165-K211 IonicContact OD2-NZ 3.31Å; D165-K211 PolarHBondContact OD2-NZ 3.38Å; E166-K211 IonicContact OE2-NZ 3.36Å; E166-K211 PolarHBondContact OE2-NZ 2.94Å; Y209-K211 PolarHBondContact O-N 3.42Å; K211-T214 WeakPolarHBondContact O-CA 3.23Å; K211-T214 WeakPolarHBondContact O-CB 3.33Å; K211-T214 PolarHBondContact O-N 2.92Å; K211-T214 PolarHBondContact O-OG1 3.42Å; K211-K216 HydrophobicContact CB-CB 3.87Å; K211-K216 HydrophobicContact CB-CG 4.3Å |
| 212 | V | 96.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 25% | 0.248 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -56.8 | -42.7 | -177.2 | 174.9 | 0 | 0 | 0 | 0 | 112.9 | Y209 T214 G215 K216 E218 C303 | Y209-V212 HydrophobicContact CD1-CG2 4.24Å; Y209-V212 VanDerWaalsContact O-CB 3.3Å; Y209-V212 WeakPolarHBondContact O-CB 3.46Å; Y209-V212 PolarHBondContact O-N 3.19Å; V212-T214 PolarHBondContact O-N 2.95Å; V212-G215 PolarHBondContact O-N 3.16Å; V212-K216 WeakPolarHBondContact CA-O 3.09Å; V212-E218 HydrophobicContact CG2-CG 4.06Å; V212-C303 HydrophobicContact CB-CB 4.34Å; V212-C303 HydrophobicContact CG1-CB 4.15Å |
| 213 | P | 95.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 42.3 Ų | 42.3 | 22% | 0.221 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -56.9 | -21.6 | 173.6 | -29.9 | 38.6 | 0 | 0 | 0 | 115.2 | N99 V101 Y209 G215 H301 | N99-P213 HydrophobicContact CB-CB 3.71Å; N99-P213 HydrophobicContact CB-CG 3.77Å; V101-P213 HydrophobicContact CG2-CG 3.99Å; Y209-P213 WeakPolarHBondContact O-CD 3.49Å; P213-G215 VanDerWaalsContact C-N 3.27Å; P213-H301 HydrophobicContact CB-CB 4.2Å; P213-H301 HydrophobicContact CG-CB 3.61Å |
| 214 | T | 93.5 | Very high | 96.7 | Very high | 68 Ų | 68 | 50 Ų | 50 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -87.9 | 7 | 178.5 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | N99 K211 V212 K216 | N99-T214 VanDerWaalsContact OD1-CG2 3.29Å; N99-T214 WeakPolarHBondContact OD1-CG2 3.48Å; K211-T214 WeakPolarHBondContact O-CA 3.23Å; K211-T214 WeakPolarHBondContact O-CB 3.33Å; K211-T214 PolarHBondContact O-N 2.92Å; K211-T214 PolarHBondContact O-OG1 3.42Å; V212-T214 PolarHBondContact O-N 2.95Å; T214-K216 VanDerWaalsContact C-N 3.34Å; T214-K216 WeakPolarHBondContact OG1-CG 3.41Å |
| 215 | G | 94.7 | Very high | 96.7 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 76% | 0.763 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 12.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V212 P213 | V212-G215 PolarHBondContact O-N 3.16Å; P213-G215 VanDerWaalsContact C-N 3.27Å |
| 216 | K | 95.8 | Very high | 96.8 | Very high | 77 Ų | 77 | 51.1 Ų | 51.1 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 154.2 | 174.7 | -64.9 | -69.1 | -177.4 | 168.4 | 0 | 110.8 | E166 K211 V212 T214 | E166-K216 VanDerWaalsContact OE1-CE 3.31Å; E166-K216 WeakPolarHBondContact OE1-CE 3.29Å; E166-K216 IonicContact OE1-NZ 2.8Å; E166-K216 PolarHBondContact OE1-NZ 3.29Å; K211-K216 HydrophobicContact CB-CB 3.87Å; K211-K216 HydrophobicContact CB-CG 4.3Å; V212-K216 WeakPolarHBondContact CA-O 3.09Å; T214-K216 VanDerWaalsContact C-N 3.34Å; T214-K216 WeakPolarHBondContact OG1-CG 3.41Å |
| 217 | P | 95.8 | Very high | 96.9 | Very high | 98 Ų | 98 | 52 Ų | 52 | 64% | 0.636 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -66 | 168.5 | 172.6 | 30.4 | -35.9 | 0 | 0 | 0 | 111.4 | ||
| 218 | E | 96.6 | Very high | 96.9 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 42% | 0.421 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 137.5 | 167.9 | -62.4 | 175.1 | -174.1 | 0 | 0 | 109.9 | K208 Y209 V212 | K208-E218 WeakPolarHBondContact CE-OE2 3.35Å; K208-E218 HydrophobicContact CG-CB 4.14Å; K208-E218 IonicContact NZ-OE1 2.78Å; K208-E218 IonicContact NZ-OE2 2.69Å; K208-E218 PolarHBondContact NZ-OE2 3.27Å; K208-E218 WeakPolarHBondContact O-CA 3.43Å; Y209-E218 HydrophobicContact CD1-CG 4.04Å; Y209-E218 HydrophobicContact CE1-CG 3.91Å; Y209-E218 WeakPolarHBondContact CE1-OE1 3.3Å; V212-E218 HydrophobicContact CG2-CG 4.06Å |
| 219 | N | 97.7 | Very high | 97 | Very high | 9 Ų | 9 | 55 Ų | 55 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 147.7 | 170 | -78.2 | -23.3 | 0 | 0 | 0 | 109.9 | M163 D165 F207 K208 Y210 | M163-N219 HydrophobicContact CG-CB 4.05Å; M163-N219 HydrophobicContact SD-CB 4Å; M163-N219 PolarHBondContact SD-ND2 3.48Å; M163-N219 VanDerWaalsContact SD-ND2 3.38Å; D165-N219 PolarHBondContact OD1-OD1 2.79Å; F207-N219 WeakPolarHBondContact O-CB 3.49Å; F207-N219 PolarHBondContact O-ND2 3.39Å; F207-N219 VanDerWaalsContact O-ND2 3.15Å; K208-N219 PolarHBondContact O-N 2.79Å; Y210-N219 WeakPolarHBondContact CE1-ND2 3.18Å |
| 220 | T | 97.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 57.9 Ų | 57.9 | 53% | 0.534 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 170.5 | 176.6 | 64.1 | 0 | 0 | 0 | 0 | 110.1 | I164 | I164-T220 PolarHBondContact N-O 2.89Å |
| 221 | F | 98.4 | Very high | 97.2 | Very high | 32 Ų | 32 | 64.3 Ų | 64.3 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143.3 | -176 | -56.2 | -86.5 | 0 | 0 | 0 | 110.1 | L161 A162 M163 R204 F207 K208 | L161-F221 HydrophobicContact CD1-CD1 3.88Å; L161-F221 HydrophobicContact CD1-CE1 4.35Å; L161-F221 HydrophobicContact CD2-CD1 3.94Å; L161-F221 HydrophobicContact CD2-CE1 3.58Å; L161-F221 HydrophobicContact CD2-CZ 4.48Å; L161-F221 HydrophobicContact CG-CD1 3.81Å; L161-F221 HydrophobicContact CG-CE1 3.99Å; A162-F221 CarbonylContact O-C 3.59Å; A162-F221 WeakPolarHBondContact O-CA 3.37Å; A162-F221 WeakPolarHBondContact O-CB 3.29Å; M163-F221 HydrophobicContact CB-CD1 4.05Å; M163-F221 HydrophobicContact CB-CE1 3.95Å; M163-F221 HydrophobicContact CG-CD1 4.27Å; M163-F221 HydrophobicContact CG-CE1 3.89Å; M163-F221 HydrophobicContact SD-CE1 4.39Å; R204-F221 HydrophobicContact CG-CD2 4.45Å; R204-F221 HydrophobicContact CG-CE1 4.43Å; R204-F221 HydrophobicContact CG-CE2 4Å; R204-F221 HydrophobicContact CG-CZ 3.98Å; F207-F221 HydrophobicContact CB-CE1 4.1Å; F207-F221 HydrophobicContact CB-CZ 4.06Å; K208-F221 HydrophobicContact CB-CE2 3.88Å; K208-F221 HydrophobicContact CB-CZ 4.03Å; K208-F221 HydrophobicContact CD-CE2 4.48Å; K208-F221 HydrophobicContact CG-CE2 4.12Å |
| 222 | A | 98 | Very high | 97.3 | Very high | 14 Ų | 14 | 65 Ų | 65 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -68.2 | 167.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110 | T128 A162 N224 G225 | T128-A222 HydrophobicContact CG2-CB 4.18Å; A162-A222 HydrophobicContact CB-CB 3.67Å; A162-A222 PolarHBondContact O-N 3.49Å; A222-N224 PolarHBondContact O-N 2.97Å; A222-G225 PolarHBondContact O-N 3.48Å |
| 223 | F | 98 | Very high | 97.4 | Very high | 65 Ų | 65 | 63.1 Ų | 63.1 | 29% | 0.285 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | 53 | 30.5 | -179.6 | -46.2 | -69.3 | 0 | 0 | 0 | 114.3 | N127 A162 W171 G225 E226 K228 F232 | N127-F223 HydrophobicContact CB-CE1 4.43Å; N127-F223 HydrophobicContact CB-CE2 4.03Å; N127-F223 HydrophobicContact CB-CZ 3.57Å; A162-F223 HydrophobicContact CB-CD2 4.01Å; A162-F223 HydrophobicContact CB-CE2 4.15Å; W171-F223 HydrophobicContact CH2-CE2 4.08Å; W171-F223 HydrophobicContact CZ3-CE2 4.45Å; F223-G225 PolarHBondContact O-N 3.19Å; F223-G225 VanDerWaalsContact O-N 3.11Å; F223-E226 HydrophobicContact CB-CB 4.38Å; F223-E226 WeakPolarHBondContact O-CB 3.27Å; F223-E226 WeakPolarHBondContact O-CG 3.48Å; F223-E226 PolarHBondContact O-N 2.94Å; F223-K228 HydrophobicContact CB-CD 4.38Å; F223-K228 HydrophobicContact CD1-CD 4.27Å; F223-K228 HydrophobicContact CD2-CD 3.76Å; F223-K228 HydrophobicContact CD2-CG 3.86Å; F223-K228 HydrophobicContact CE1-CD 4.47Å; F223-K228 HydrophobicContact CE2-CD 3.96Å; F223-K228 HydrophobicContact CE2-CG 3.78Å; F223-K228 HydrophobicContact CG-CD 3.89Å; F223-K228 HydrophobicContact CG-CG 4.5Å; F223-K228 HydrophobicContact CZ-CD 4.29Å; F223-K228 HydrophobicContact CZ-CG 4.37Å; F223-F232 HydrophobicContact CE2-CE1 4.33Å; F223-F232 HydrophobicContact CE2-CZ 4.06Å; F223-F232 HydrophobicContact CZ-CE1 4.45Å; F223-F232 HydrophobicContact CZ-CE2 4.21Å; F223-F232 AromaticContact CZ-CZ 3.74Å; F223-F232 HydrophobicContact CZ-CZ 3.74Å |
| 224 | N | 97 | Very high | 97.5 | Very high | 162 Ų | 162 | 63.8 Ų | 63.8 | 87% | 0.866 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | 54.9 | 27.4 | -175.9 | -57.8 | -20.9 | 0 | 0 | 0 | 114.1 | A222 E226 | A222-N224 PolarHBondContact O-N 2.97Å; N224-E226 VanDerWaalsContact C-N 3.32Å |
| 225 | G | 97.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | 76.2 | 16.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R204 A222 F223 | R204-G225 WeakPolarHBondContact CD-O 3.3Å; R204-G225 PolarHBondContact NH1-O 2.91Å; A222-G225 PolarHBondContact O-N 3.48Å; F223-G225 PolarHBondContact O-N 3.19Å; F223-G225 VanDerWaalsContact O-N 3.11Å |
| 226 | E | 98.4 | Very high | 98 | Very high | 119 Ų | 119 | 63 Ų | 63 | 56% | 0.556 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 134.8 | 168.5 | -68 | -179.4 | -179.4 | 0 | 0 | 110.6 | F223 N224 | F223-E226 HydrophobicContact CB-CB 4.38Å; F223-E226 WeakPolarHBondContact O-CB 3.27Å; F223-E226 WeakPolarHBondContact O-CG 3.48Å; F223-E226 PolarHBondContact O-N 2.94Å; N224-E226 VanDerWaalsContact C-N 3.32Å |
| 227 | F | 98.8 | Very high | 98.1 | Very high | 27 Ų | 27 | 59.3 Ų | 59.3 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 137.7 | 168.9 | -66.5 | -100.8 | 0 | 0 | 0 | 109.6 | I160 L161 I174 I189 L200 T203 R204 | I160-F227 CarbonylContact O-C 3.57Å; I160-F227 WeakPolarHBondContact O-CA 3.31Å; L161-F227 HydrophobicContact CB-CD1 3.81Å; L161-F227 HydrophobicContact CB-CE1 3.67Å; L161-F227 HydrophobicContact CB-CZ 4.34Å; L161-F227 HydrophobicContact CD1-CD1 4.42Å; L161-F227 HydrophobicContact CD1-CD2 4.46Å; L161-F227 HydrophobicContact CD1-CE1 4.33Å; L161-F227 HydrophobicContact CD1-CE2 4.36Å; L161-F227 HydrophobicContact CD1-CG 4.48Å; L161-F227 HydrophobicContact CD1-CZ 4.3Å; L161-F227 HydrophobicContact CD2-CE1 4.11Å; L161-F227 HydrophobicContact CD2-CZ 4.01Å; L161-F227 HydrophobicContact CG-CE1 4.26Å; L161-F227 HydrophobicContact CG-CZ 4.46Å; I174-F227 HydrophobicContact CD1-CE1 3.93Å; I174-F227 HydrophobicContact CG1-CD1 3.82Å; I174-F227 HydrophobicContact CG1-CE1 3.71Å; I189-F227 HydrophobicContact CD1-CB 4.04Å; I189-F227 HydrophobicContact CD1-CD1 4.18Å; I189-F227 HydrophobicContact CD1-CG 4.27Å; I189-F227 HydrophobicContact CG1-CB 3.57Å; I189-F227 HydrophobicContact CG1-CG 4.27Å; L200-F227 HydrophobicContact CB-CD2 4.07Å; L200-F227 HydrophobicContact CB-CE2 3.67Å; L200-F227 HydrophobicContact CB-CZ 4.1Å; L200-F227 HydrophobicContact CD1-CD2 4.19Å; L200-F227 HydrophobicContact CD1-CG 4.4Å; L200-F227 HydrophobicContact CD2-CD1 4.21Å; L200-F227 HydrophobicContact CD2-CD2 4.44Å; L200-F227 HydrophobicContact CD2-CE1 4.01Å; L200-F227 HydrophobicContact CD2-CE2 4.27Å; L200-F227 HydrophobicContact CD2-CG 4.43Å; L200-F227 HydrophobicContact CD2-CZ 4.05Å; L200-F227 HydrophobicContact CG-CD2 4.48Å; L200-F227 HydrophobicContact CG-CE2 4.39Å; L200-F227 VanDerWaalsContact O-CE2 3.28Å; L200-F227 WeakPolarHBondContact O-CE2 3.43Å; L200-F227 WeakPolarHBondContact O-CZ 3.34Å; T203-F227 HydrophobicContact CG2-CE1 4.09Å; T203-F227 HydrophobicContact CG2-CZ 3.9Å; R204-F227 HydrophobicContact CB-CE2 4.18Å; R204-F227 HydrophobicContact CB-CZ 4.29Å |
| 228 | K | 98.8 | Very high | 98.2 | Very high | 55 Ų | 55 | 57.5 Ų | 57.5 | 24% | 0.239 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 154 | 171.9 | -52.1 | -54.9 | -62.5 | 176.2 | 0 | 110.1 | G159 I160 F223 F232 | G159-K228 CarbonylContact C-O 3.52Å; G159-K228 WeakPolarHBondContact CA-O 3.42Å; I160-K228 HydrophobicContact CG2-CB 3.87Å; I160-K228 PolarHBondContact N-O 2.97Å; I160-K228 PolarHBondContact O-N 3.33Å; F223-K228 HydrophobicContact CB-CD 4.38Å; F223-K228 HydrophobicContact CD1-CD 4.27Å; F223-K228 HydrophobicContact CD2-CD 3.76Å; F223-K228 HydrophobicContact CD2-CG 3.86Å; F223-K228 HydrophobicContact CE1-CD 4.47Å; F223-K228 HydrophobicContact CE2-CD 3.96Å; F223-K228 HydrophobicContact CE2-CG 3.78Å; F223-K228 HydrophobicContact CG-CD 3.89Å; F223-K228 HydrophobicContact CG-CG 4.5Å; F223-K228 HydrophobicContact CZ-CD 4.29Å; F223-K228 HydrophobicContact CZ-CG 4.37Å; K228-F232 HydrophobicContact CB-CB 3.79Å; K228-F232 HydrophobicContact CB-CD1 3.47Å; K228-F232 VanDerWaalsContact CB-CD1 3.47Å; K228-F232 HydrophobicContact CB-CD2 4.49Å; K228-F232 HydrophobicContact CB-CE1 4.17Å; K228-F232 HydrophobicContact CB-CG 3.66Å; K228-F232 HydrophobicContact CG-CD1 3.75Å; K228-F232 HydrophobicContact CG-CE1 3.94Å; K228-F232 HydrophobicContact CG-CG 4.09Å; K228-F232 HydrophobicContact CG-CZ 4.42Å |
| 229 | N | 98.8 | Very high | 98.3 | Very high | 59 Ų | 59 | 56 Ų | 56 | 32% | 0.316 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 173.3 | -174.2 | 71.8 | -7.9 | 0 | 0 | 0 | 112.8 | D188 I189 E231 F232 A233 | D188-N229 VanDerWaalsContact OD1-CA 3.3Å; D188-N229 WeakPolarHBondContact OD1-CA 2.98Å; D188-N229 WeakPolarHBondContact OD1-CB 3Å; I189-N229 HydrophobicContact CG2-CB 4.32Å; N229-E231 VanDerWaalsContact C-N 3.3Å; N229-E231 PolarHBondContact O-N 3.11Å; N229-F232 PolarHBondContact O-N 2.99Å; N229-F232 VanDerWaalsContact OD1-CB 3.27Å; N229-F232 WeakPolarHBondContact OD1-CB 3.27Å; N229-F232 PolarHBondContact OD1-N 2.7Å; N229-A233 PolarHBondContact O-N 3.4Å |
| 230 | K | 98.5 | Very high | 98.3 | Very high | 66 Ų | 66 | 55.7 Ų | 55.7 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -53.7 | -43.5 | 177.8 | 172.4 | -179.4 | 173.5 | -175.3 | 0 | 113.2 | V157 L158 N187 D188 A233 T234 | V157-K230 HydrophobicContact CG1-CG 4.46Å; V157-K230 WeakPolarHBondContact O-CD 3.4Å; V157-K230 WeakPolarHBondContact O-CG 3.41Å; L158-K230 WeakPolarHBondContact O-CA 3.45Å; L158-K230 PolarHBondContact O-N 3.22Å; L158-K230 VanDerWaalsContact O-N 3.09Å; N187-K230 VanDerWaalsContact O-CD 3.27Å; N187-K230 WeakPolarHBondContact O-CD 3.4Å; D188-K230 PolarHBondContact OD1-N 3.05Å; K230-A233 PolarHBondContact O-N 2.93Å; K230-T234 WeakPolarHBondContact O-CB 3.42Å; K230-T234 PolarHBondContact O-N 3.45Å; K230-T234 PolarHBondContact O-OG1 3.21Å |
| 231 | E | 98.5 | Very high | 98.4 | Very high | 152 Ų | 152 | 53.3 Ų | 53.3 | 71% | 0.71 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.9 | -47.3 | -178.8 | -176.8 | -179.2 | -176.1 | 0 | 0 | 111.3 | N229 T234 K235 | N229-E231 VanDerWaalsContact C-N 3.3Å; N229-E231 PolarHBondContact O-N 3.11Å; E231-T234 PolarHBondContact O-N 2.98Å; E231-K235 PolarHBondContact O-N 3.03Å; E231-K235 VanDerWaalsContact O-N 3.09Å |
| 232 | F | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 176.6 | -170.9 | -80.8 | 0 | 0 | 0 | 111.4 | N127 I160 W171 F223 K228 N229 T234 K235 I236 | N127-F232 WeakPolarHBondContact OD1-CZ 3.49Å; I160-F232 HydrophobicContact CG2-CD1 3.82Å; I160-F232 HydrophobicContact CG2-CE1 4.35Å; W171-F232 AromaticContact CH2-CE1 3.72Å; W171-F232 HydrophobicContact CH2-CE1 3.72Å; W171-F232 HydrophobicContact CH2-CZ 4.17Å; W171-F232 AromaticContact CZ3-CE1 3.99Å; W171-F232 HydrophobicContact CZ3-CE1 3.99Å; F223-F232 HydrophobicContact CE2-CE1 4.33Å; F223-F232 HydrophobicContact CE2-CZ 4.06Å; F223-F232 HydrophobicContact CZ-CE1 4.45Å; F223-F232 HydrophobicContact CZ-CE2 4.21Å; F223-F232 AromaticContact CZ-CZ 3.74Å; F223-F232 HydrophobicContact CZ-CZ 3.74Å; K228-F232 HydrophobicContact CB-CB 3.79Å; K228-F232 HydrophobicContact CB-CD1 3.47Å; K228-F232 VanDerWaalsContact CB-CD1 3.47Å; K228-F232 HydrophobicContact CB-CD2 4.49Å; K228-F232 HydrophobicContact CB-CE1 4.17Å; K228-F232 HydrophobicContact CB-CG 3.66Å; K228-F232 HydrophobicContact CG-CD1 3.75Å; K228-F232 HydrophobicContact CG-CE1 3.94Å; K228-F232 HydrophobicContact CG-CG 4.09Å; K228-F232 HydrophobicContact CG-CZ 4.42Å; N229-F232 PolarHBondContact O-N 2.99Å; N229-F232 VanDerWaalsContact OD1-CB 3.27Å; N229-F232 WeakPolarHBondContact OD1-CB 3.27Å; N229-F232 PolarHBondContact OD1-N 2.7Å; F232-T234 VanDerWaalsContact C-N 3.32Å; F232-T234 PolarHBondContact O-N 3.3Å; F232-K235 WeakPolarHBondContact O-CB 3.36Å; F232-K235 PolarHBondContact O-N 3.37Å; F232-K235 VanDerWaalsContact O-N 3.1Å; F232-I236 HydrophobicContact CD1-CD1 4.45Å; F232-I236 HydrophobicContact CD1-CG1 3.86Å; F232-I236 HydrophobicContact CE1-CD1 3.73Å; F232-I236 HydrophobicContact CE1-CG1 3.52Å; F232-I236 HydrophobicContact CZ-CD1 4.06Å; F232-I236 HydrophobicContact CZ-CG1 4.33Å; F232-I236 PolarHBondContact O-N 3.09Å |
| 233 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V157 I160 N229 K230 K235 I236 I237 | V157-A233 HydrophobicContact CG1-CB 3.49Å; V157-A233 VanDerWaalsContact CG1-CB 3.49Å; I160-A233 HydrophobicContact CB-CB 3.7Å; I160-A233 HydrophobicContact CG2-CB 3.78Å; N229-A233 PolarHBondContact O-N 3.4Å; K230-A233 PolarHBondContact O-N 2.93Å; A233-K235 VanDerWaalsContact C-N 3.29Å; A233-K235 PolarHBondContact O-N 3.1Å; A233-I236 PolarHBondContact O-N 2.98Å; A233-I237 VanDerWaalsContact O-CG1 3.3Å; A233-I237 WeakPolarHBondContact O-CG1 3.45Å; A233-I237 PolarHBondContact O-N 3.37Å |
| 234 | T | 98.4 | Very high | 98.3 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 176.6 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | Y61 K230 E231 F232 S238 | Y61-T234 WeakPolarHBondContact OH-CG2 3.44Å; K230-T234 WeakPolarHBondContact O-CB 3.42Å; K230-T234 PolarHBondContact O-N 3.45Å; K230-T234 PolarHBondContact O-OG1 3.21Å; E231-T234 PolarHBondContact O-N 2.98Å; F232-T234 VanDerWaalsContact C-N 3.32Å; F232-T234 PolarHBondContact O-N 3.3Å; T234-S238 WeakPolarHBondContact O-CB 3.11Å; T234-S238 PolarHBondContact O-N 2.94Å |
| 235 | K | 98.4 | Very high | 98.3 | Very high | 123 Ų | 123 | 48.6 Ų | 48.6 | 54% | 0.535 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.4 | -176.6 | -175.7 | 174.2 | -171.6 | 0 | 111.8 | E231 F232 A233 S238 Q239 | E231-K235 PolarHBondContact O-N 3.03Å; E231-K235 VanDerWaalsContact O-N 3.09Å; F232-K235 WeakPolarHBondContact O-CB 3.36Å; F232-K235 PolarHBondContact O-N 3.37Å; F232-K235 VanDerWaalsContact O-N 3.1Å; A233-K235 VanDerWaalsContact C-N 3.29Å; A233-K235 PolarHBondContact O-N 3.1Å; K235-S238 WeakPolarHBondContact O-CB 3.49Å; K235-S238 PolarHBondContact O-N 3.14Å; K235-Q239 WeakPolarHBondContact O-CG 3.42Å; K235-Q239 PolarHBondContact O-N 2.62Å |
| 236 | I | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -47 | 177.2 | -61.5 | -54.3 | 0 | 0 | 0 | 110.7 | I137 I160 W171 F232 A233 S238 Q239 T240 | I137-I236 HydrophobicContact CD1-CG2 3.8Å; I160-I236 HydrophobicContact CD1-CB 3.9Å; I160-I236 HydrophobicContact CD1-CG1 4.2Å; I160-I236 HydrophobicContact CD1-CG2 3.8Å; W171-I236 HydrophobicContact CB-CG2 4.41Å; W171-I236 HydrophobicContact CD2-CG1 4.48Å; W171-I236 HydrophobicContact CD2-CG2 3.85Å; W171-I236 HydrophobicContact CG-CG2 3.72Å; W171-I236 HydrophobicContact CH2-CD1 4.18Å; W171-I236 HydrophobicContact CH2-CG1 4.29Å; W171-I236 HydrophobicContact CZ2-CD1 3.75Å; W171-I236 HydrophobicContact CZ2-CG1 4.15Å; W171-I236 HydrophobicContact CZ3-CG1 4.49Å; F232-I236 HydrophobicContact CD1-CD1 4.45Å; F232-I236 HydrophobicContact CD1-CG1 3.86Å; F232-I236 HydrophobicContact CE1-CD1 3.73Å; F232-I236 HydrophobicContact CE1-CG1 3.52Å; F232-I236 HydrophobicContact CZ-CD1 4.06Å; F232-I236 HydrophobicContact CZ-CG1 4.33Å; F232-I236 PolarHBondContact O-N 3.09Å; A233-I236 PolarHBondContact O-N 2.98Å; I236-S238 VanDerWaalsContact C-N 3.27Å; I236-S238 PolarHBondContact O-N 2.88Å; I236-Q239 VanDerWaalsContact CD1-OE1 3.31Å; I236-Q239 WeakPolarHBondContact O-CA 3.4Å; I236-Q239 WeakPolarHBondContact O-CB 3.38Å; I236-Q239 PolarHBondContact O-N 3.38Å; I236-T240 HydrophobicContact CG2-CG2 4.42Å; I236-T240 PolarHBondContact O-N 2.92Å; I236-T240 PolarHBondContact O-OG1 2.71Å |
| 237 | I | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.6 | -41.2 | 176.1 | -65.1 | 162.1 | 0 | 0 | 0 | 111.2 | L53 Y61 L114 T117 I137 V157 V173 A233 Q239 T240 H241 | L53-I237 HydrophobicContact CD1-CG2 4.22Å; L53-I237 HydrophobicContact CD2-CG2 4.2Å; Y61-I237 HydrophobicContact CD1-CG2 4.13Å; Y61-I237 HydrophobicContact CE1-CG2 3.56Å; Y61-I237 HydrophobicContact CE2-CD1 4.41Å; L114-I237 HydrophobicContact CD1-CB 4.46Å; L114-I237 HydrophobicContact CD1-CD1 3.77Å; L114-I237 HydrophobicContact CD1-CG1 3.83Å; L114-I237 HydrophobicContact CD1-CG2 3.75Å; T117-I237 HydrophobicContact CG2-CG2 4.41Å; I137-I237 HydrophobicContact CD1-CG1 4.16Å; V157-I237 HydrophobicContact CG1-CD1 4.33Å; V157-I237 HydrophobicContact CG2-CD1 3.63Å; V173-I237 HydrophobicContact CG1-CD1 4.04Å; V173-I237 HydrophobicContact CG2-CD1 4.28Å; V173-I237 HydrophobicContact CG2-CG1 4.15Å; A233-I237 VanDerWaalsContact O-CG1 3.3Å; A233-I237 WeakPolarHBondContact O-CG1 3.45Å; A233-I237 PolarHBondContact O-N 3.37Å; I237-Q239 VanDerWaalsContact C-N 3.31Å; I237-Q239 PolarHBondContact O-N 2.62Å; I237-T240 PolarHBondContact O-N 2.92Å; I237-T240 PolarHBondContact O-OG1 3.38Å; I237-T240 VanDerWaalsContact O-OG1 3.05Å; I237-H241 WeakPolarHBondContact O-CB 3.28Å; I237-H241 PolarHBondContact O-N 3.27Å |
| 238 | S | 98.3 | Very high | 98 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 42% | 0.42 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63 | -38 | 175.3 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | T234 K235 I236 H241 E242 | T234-S238 WeakPolarHBondContact O-CB 3.11Å; T234-S238 PolarHBondContact O-N 2.94Å; K235-S238 WeakPolarHBondContact O-CB 3.49Å; K235-S238 PolarHBondContact O-N 3.14Å; I236-S238 VanDerWaalsContact C-N 3.27Å; I236-S238 PolarHBondContact O-N 2.88Å; S238-H241 PolarHBondContact O-N 3.29Å; S238-E242 WeakPolarHBondContact O-CG 3.21Å; S238-E242 PolarHBondContact O-N 3.48Å |
| 239 | Q | 98.4 | Very high | 97.7 | Very high | 57 Ų | 57 | 44.3 Ų | 44.3 | 27% | 0.266 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.6 | -44.5 | 178.6 | -71.5 | 170.8 | -34.1 | 0 | 0 | 111.7 | K235 I236 I237 H241 E242 Q243 | K235-Q239 WeakPolarHBondContact O-CG 3.42Å; K235-Q239 PolarHBondContact O-N 2.62Å; I236-Q239 VanDerWaalsContact CD1-OE1 3.31Å; I236-Q239 WeakPolarHBondContact O-CA 3.4Å; I236-Q239 WeakPolarHBondContact O-CB 3.38Å; I236-Q239 PolarHBondContact O-N 3.38Å; I237-Q239 VanDerWaalsContact C-N 3.31Å; I237-Q239 PolarHBondContact O-N 2.62Å; Q239-H241 VanDerWaalsContact C-N 3.29Å; Q239-H241 PolarHBondContact O-N 3.19Å; Q239-E242 WeakPolarHBondContact O-CB 3.26Å; Q239-E242 PolarHBondContact O-N 3.4Å; Q239-Q243 WeakPolarHBondContact O-CG 3.41Å; Q239-Q243 PolarHBondContact O-N 3.33Å |
| 240 | T | 98.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.7 | -31.4 | 176.6 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | T117 W118 E119 I137 I236 I237 Q243 W244 | T117-T240 WeakPolarHBondContact CB-OG1 3.11Å; W118-T240 PolarHBondContact N-O 2.82Å; W118-T240 WeakPolarHBondContact O-CA 3.47Å; E119-T240 HydrophobicContact CG-CG2 4Å; I137-T240 HydrophobicContact CB-CG2 4.46Å; I137-T240 HydrophobicContact CD1-CG2 4.14Å; I236-T240 HydrophobicContact CG2-CG2 4.42Å; I236-T240 PolarHBondContact O-N 2.92Å; I236-T240 PolarHBondContact O-OG1 2.71Å; I237-T240 PolarHBondContact O-N 2.92Å; I237-T240 PolarHBondContact O-OG1 3.38Å; I237-T240 VanDerWaalsContact O-OG1 3.05Å; T240-Q243 PolarHBondContact O-N 2.88Å; T240-W244 PolarHBondContact O-N 2.81Å |
| 241 | H | 98.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 50 Ų | 50 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.2 | -43.5 | 169.1 | -174.3 | 62.5 | 0 | 0 | 0 | 112.5 | L53 Q116 I237 S238 Q239 Q243 W244 Q245 | L53-H241 HydrophobicContact CD2-CB 3.7Å; Q116-H241 WeakPolarHBondContact O-CA 3.37Å; Q116-H241 PolarHBondContact O-ND1 2.96Å; I237-H241 WeakPolarHBondContact O-CB 3.28Å; I237-H241 PolarHBondContact O-N 3.27Å; S238-H241 PolarHBondContact O-N 3.29Å; Q239-H241 VanDerWaalsContact C-N 3.29Å; Q239-H241 PolarHBondContact O-N 3.19Å; H241-Q243 VanDerWaalsContact C-N 3.29Å; H241-Q243 PolarHBondContact O-N 2.93Å; H241-W244 AromaticContact CE1-CE3 3.61Å; H241-W244 AromaticContact CE1-CZ3 3.6Å; H241-W244 AromaticContact ND1-CE3 3.71Å; H241-W244 PolarHBondContact O-N 3.16Å; H241-Q245 PolarHBondContact CD2-NE2 2.93Å; H241-Q245 PolarHBondContact NE2-NE2 2.91Å; H241-Q245 WeakPolarHBondContact O-CG 3.3Å; H241-Q245 PolarHBondContact O-N 3.14Å |
| 242 | E | 97.6 | Very high | 95.2 | Very high | 95 Ų | 95 | 44.6 Ų | 44.6 | 44% | 0.444 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.9 | -35.3 | 175 | -76 | -178.2 | -176.1 | 0 | 0 | 112.4 | S238 Q239 Q245 K246 | S238-E242 WeakPolarHBondContact O-CG 3.21Å; S238-E242 PolarHBondContact O-N 3.48Å; Q239-E242 WeakPolarHBondContact O-CB 3.26Å; Q239-E242 PolarHBondContact O-N 3.4Å; E242-Q245 PolarHBondContact O-N 3.47Å; E242-K246 WeakPolarHBondContact O-CG 3.33Å; E242-K246 PolarHBondContact O-N 2.83Å |
| 243 | Q | 97.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 51.1 Ų | 51.1 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 173 | -71 | 170 | 14.2 | 0 | 0 | 110.8 | W118 D120 H123 Q239 T240 H241 Q245 K246 L247 | W118-Q243 HydrophobicContact CE3-CB 4.2Å; W118-Q243 WeakPolarHBondContact O-CB 3.25Å; W118-Q243 PolarHBondContact O-OE1 2.88Å; D120-Q243 HydrophobicContact CB-CB 4.2Å; D120-Q243 HydrophobicContact CB-CG 4.08Å; H123-Q243 PolarHBondContact CD2-NE2 2.83Å; Q239-Q243 WeakPolarHBondContact O-CG 3.41Å; Q239-Q243 PolarHBondContact O-N 3.33Å; T240-Q243 PolarHBondContact O-N 2.88Å; H241-Q243 VanDerWaalsContact C-N 3.29Å; H241-Q243 PolarHBondContact O-N 2.93Å; Q243-Q245 VanDerWaalsContact C-N 3.32Å; Q243-Q245 PolarHBondContact O-N 2.77Å; Q243-K246 WeakPolarHBondContact O-CB 3.26Å; Q243-K246 PolarHBondContact O-N 3.45Å; Q243-L247 PolarHBondContact O-N 2.91Å |
| 244 | W | 98 | Very high | 94 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -40.5 | 172.7 | 171.5 | 83.3 | 0 | 0 | 0 | 112.8 | F48 H49 Q116 W118 T240 H241 K246 L247 I248 V264 | F48-W244 AromaticContact CE2-CD1 3.78Å; H49-W244 AromaticContact CE1-NE1 3.71Å; H49-W244 AromaticContact ND1-CD1 3.97Å; H49-W244 AromaticContact ND1-NE1 3.1Å; H49-W244 PolarHBondContact ND1-NE1 3.39Å; H49-W244 VanDerWaalsContact ND1-NE1 3.1Å; Q116-W244 VanDerWaalsContact C-CG 3.44Å; Q116-W244 HydrophobicContact CB-CD2 3.67Å; Q116-W244 HydrophobicContact CB-CE3 3.68Å; Q116-W244 HydrophobicContact CB-CG 4.33Å; Q116-W244 HydrophobicContact CB-CH2 3.89Å; Q116-W244 HydrophobicContact CB-CZ2 3.89Å; Q116-W244 HydrophobicContact CB-CZ3 3.8Å; Q116-W244 HydrophobicContact CG-CD2 4.3Å; Q116-W244 HydrophobicContact CG-CE3 4.37Å; Q116-W244 HydrophobicContact CG-CH2 3.64Å; Q116-W244 HydrophobicContact CG-CZ2 3.56Å; Q116-W244 HydrophobicContact CG-CZ3 4.07Å; Q116-W244 WeakPolarHBondContact O-CB 3.33Å; W118-W244 HydrophobicContact CB-CB 3.95Å; T240-W244 PolarHBondContact O-N 2.81Å; H241-W244 AromaticContact CE1-CE3 3.61Å; H241-W244 AromaticContact CE1-CZ3 3.6Å; H241-W244 AromaticContact ND1-CE3 3.71Å; H241-W244 PolarHBondContact O-N 3.16Å; W244-K246 PolarHBondContact O-N 2.91Å; W244-L247 WeakPolarHBondContact O-CB 3.34Å; W244-L247 PolarHBondContact O-N 3.12Å; W244-L247 VanDerWaalsContact O-N 3.09Å; W244-I248 HydrophobicContact CH2-CG2 4.15Å; W244-I248 HydrophobicContact CZ2-CB 4.18Å; W244-I248 HydrophobicContact CZ2-CG1 4.05Å; W244-I248 HydrophobicContact CZ2-CG2 4.12Å; W244-I248 HydrophobicContact CZ3-CG2 4.34Å; W244-I248 PolarHBondContact O-N 2.98Å; W244-V264 HydrophobicContact CH2-CG1 3.89Å; W244-V264 HydrophobicContact CH2-CG2 4.43Å; W244-V264 HydrophobicContact CZ2-CG1 4.28Å; W244-V264 HydrophobicContact CZ2-CG2 4.31Å |
| 245 | Q | 97.4 | Very high | 93.7 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.5 | -33.6 | 175.8 | -75 | 179.4 | -10.8 | 0 | 0 | 112.1 | H241 E242 Q243 S249 | H241-Q245 PolarHBondContact CD2-NE2 2.93Å; H241-Q245 PolarHBondContact NE2-NE2 2.91Å; H241-Q245 WeakPolarHBondContact O-CG 3.3Å; H241-Q245 PolarHBondContact O-N 3.14Å; E242-Q245 PolarHBondContact O-N 3.47Å; Q243-Q245 VanDerWaalsContact C-N 3.32Å; Q243-Q245 PolarHBondContact O-N 2.77Å; Q245-S249 VanDerWaalsContact O-CB 3.29Å; Q245-S249 WeakPolarHBondContact O-CB 3.22Å; Q245-S249 PolarHBondContact O-N 2.97Å; Q245-S249 PolarHBondContact O-OG 3.03Å |
| 246 | K | 96.3 | Very high | 93.5 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 39% | 0.391 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.5 | -43.4 | 173.2 | -65.1 | 166.9 | -170.2 | 167.9 | 0 | 111.1 | E242 Q243 W244 I248 S249 K251 V252 | E242-K246 WeakPolarHBondContact O-CG 3.33Å; E242-K246 PolarHBondContact O-N 2.83Å; Q243-K246 WeakPolarHBondContact O-CB 3.26Å; Q243-K246 PolarHBondContact O-N 3.45Å; W244-K246 PolarHBondContact O-N 2.91Å; K246-I248 VanDerWaalsContact C-N 3.35Å; K246-I248 PolarHBondContact O-N 3Å; K246-S249 PolarHBondContact O-N 3.09Å; K246-S249 PolarHBondContact O-OG 3.26Å; K246-K251 HydrophobicContact CB-CB 4.16Å; K246-K251 PolarHBondContact O-N 3.05Å; K246-V252 HydrophobicContact CB-CG1 4.05Å; K246-V252 HydrophobicContact CB-CG2 4.33Å |
| 247 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.6 | -48.5 | 176.1 | 177 | 67.9 | 0 | 0 | 0 | 111.8 | F48 W118 Q243 W244 S249 V252 A254 I257 R259 | F48-L247 HydrophobicContact CE1-CD2 4.36Å; F48-L247 HydrophobicContact CZ-CD2 4.22Å; W118-L247 HydrophobicContact CB-CD2 4.4Å; W118-L247 HydrophobicContact CD2-CB 4.39Å; W118-L247 HydrophobicContact CD2-CD2 3.82Å; W118-L247 HydrophobicContact CE3-CB 3.84Å; W118-L247 HydrophobicContact CE3-CD2 4.14Å; W118-L247 HydrophobicContact CE3-CG 4.4Å; W118-L247 HydrophobicContact CG-CD2 3.96Å; W118-L247 HydrophobicContact CH2-CD1 4.22Å; W118-L247 HydrophobicContact CZ2-CD1 4.31Å; W118-L247 HydrophobicContact CZ3-CB 4.05Å; W118-L247 HydrophobicContact CZ3-CD1 4.35Å; Q243-L247 PolarHBondContact O-N 2.91Å; W244-L247 WeakPolarHBondContact O-CB 3.34Å; W244-L247 PolarHBondContact O-N 3.12Å; W244-L247 VanDerWaalsContact O-N 3.09Å; L247-S249 VanDerWaalsContact C-N 3.3Å; L247-S249 PolarHBondContact O-N 3.19Å; L247-V252 VanDerWaalsContact CA-CG2 3.45Å; L247-V252 HydrophobicContact CB-CG2 4.15Å; L247-V252 HydrophobicContact CD1-CG2 4.34Å; L247-A254 HydrophobicContact CD1-CB 3.66Å; L247-I257 HydrophobicContact CD1-CD1 4.49Å; L247-I257 HydrophobicContact CD2-CD1 4.29Å; L247-I257 HydrophobicContact CD2-CG2 4.3Å; L247-R259 HydrophobicContact CG-CG 4.46Å; L247-R259 WeakPolarHBondContact O-CD 3.45Å; L247-R259 PolarHBondContact O-NH1 2.74Å |
| 248 | I | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.7 | -9.4 | -175.1 | -152.2 | 60.7 | 0 | 0 | 0 | 113.8 | V11 W244 K246 R259 V264 S267 P268 Y269 | V11-I248 HydrophobicContact CG1-CG2 4.2Å; V11-I248 HydrophobicContact CG2-CG2 4.3Å; W244-I248 HydrophobicContact CH2-CG2 4.15Å; W244-I248 HydrophobicContact CZ2-CB 4.18Å; W244-I248 HydrophobicContact CZ2-CG1 4.05Å; W244-I248 HydrophobicContact CZ2-CG2 4.12Å; W244-I248 HydrophobicContact CZ3-CG2 4.34Å; W244-I248 PolarHBondContact O-N 2.98Å; K246-I248 VanDerWaalsContact C-N 3.35Å; K246-I248 PolarHBondContact O-N 3Å; I248-R259 HydrophobicContact CD1-CB 4.01Å; I248-R259 HydrophobicContact CD1-CG 4.42Å; I248-R259 WeakPolarHBondContact CD1-O 3.36Å; I248-V264 HydrophobicContact CG1-CG1 4.13Å; I248-S267 PolarHBondContact O-OG 2.91Å; I248-P268 WeakPolarHBondContact O-CD 3.38Å; I248-Y269 HydrophobicContact CD1-CD2 4.36Å |
| 249 | S | 92 | Very high | 93.3 | Very high | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.154 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 21.8 | -175.8 | 64.7 | 0 | 0 | 0 | 0 | 115.3 | Q245 K246 L247 K251 | Q245-S249 VanDerWaalsContact O-CB 3.29Å; Q245-S249 WeakPolarHBondContact O-CB 3.22Å; Q245-S249 PolarHBondContact O-N 2.97Å; Q245-S249 PolarHBondContact O-OG 3.03Å; K246-S249 PolarHBondContact O-N 3.09Å; K246-S249 PolarHBondContact O-OG 3.26Å; L247-S249 VanDerWaalsContact C-N 3.3Å; L247-S249 PolarHBondContact O-N 3.19Å; S249-K251 PolarHBondContact O-N 3.37Å |
| 250 | T | 79.3 | Confident | 93.3 | Very high | 87 Ų | 87 | 50.9 Ų | 50.9 | 53% | 0.534 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 10.9 | -178 | 70.9 | 0 | 0 | 0 | 0 | 116.3 | V252 P268 Y269 | T250-V252 VanDerWaalsContact C-N 3.29Å; T250-V252 PolarHBondContact O-N 2.93Å; T250-P268 HydrophobicContact CG2-CB 4.35Å; T250-P268 HydrophobicContact CG2-CG 3.41Å; T250-P268 VanDerWaalsContact CG2-CG 3.41Å; T250-Y269 HydrophobicContact CG2-CE2 4.06Å; T250-Y269 WeakPolarHBondContact CG2-OH 3.39Å |
| 251 | K | 79.1 | Confident | 93.3 | Very high | 158 Ų | 158 | 50.7 Ų | 50.7 | 69% | 0.687 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -81.2 | -9.1 | -175.9 | -63.4 | -179.3 | -174.5 | 170.9 | 0 | 114.1 | K246 S249 | K246-K251 HydrophobicContact CB-CB 4.16Å; K246-K251 PolarHBondContact O-N 3.05Å; S249-K251 PolarHBondContact O-N 3.37Å |
| 252 | V | 83.8 | Confident | 93.2 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -141.9 | 156.2 | 179.3 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | W118 K246 L247 T250 | W118-V252 HydrophobicContact CH2-CG2 4.31Å; W118-V252 HydrophobicContact CZ3-CG2 4.02Å; K246-V252 HydrophobicContact CB-CG1 4.05Å; K246-V252 HydrophobicContact CB-CG2 4.33Å; L247-V252 VanDerWaalsContact CA-CG2 3.45Å; L247-V252 HydrophobicContact CB-CG2 4.15Å; L247-V252 HydrophobicContact CD1-CG2 4.34Å; T250-V252 VanDerWaalsContact C-N 3.29Å; T250-V252 PolarHBondContact O-N 2.93Å |
| 253 | E | 86.1 | Confident | 93.1 | Very high | 173 Ų | 173 | 45.7 Ų | 45.7 | 81% | 0.808 | 26% | 0.255 | S | S | * | . | trans | -67.1 | 133.3 | 170.4 | -64.9 | -174.7 | 176.2 | 0 | 0 | 109.8 | ||||
| 254 | A | 86.5 | Confident | 93 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | trans | -96.9 | -4.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L247 S256 I257 R259 | L247-A254 HydrophobicContact CD1-CB 3.66Å; A254-S256 PolarHBondContact O-N 3.42Å; A254-I257 HydrophobicContact CB-CB 4.43Å; A254-I257 VanDerWaalsContact O-CB 3.28Å; A254-I257 WeakPolarHBondContact O-CB 3.48Å; A254-I257 WeakPolarHBondContact O-CG1 3.4Å; A254-I257 PolarHBondContact O-N 3.41Å; A254-R259 HydrophobicContact CB-CG 4.39Å | ||
| 255 | G | 91.7 | Very high | 92.7 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 83% | 0.825 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | -123.8 | -172 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 256 | S | 94.6 | Very high | 92.3 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -3.5 | 177.7 | 53.2 | 0 | 0 | 0 | 0 | 114.8 | A254 I258 | A254-S256 PolarHBondContact O-N 3.42Å; S256-I258 PolarHBondContact O-N 3.46Å |
| 257 | I | 97.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | trans | -70.4 | 119.7 | -175 | -58.7 | 176.9 | 0 | 0 | 0 | 110.4 | F48 K79 W118 N134 L247 A254 R259 | F48-I257 HydrophobicContact CD1-CG2 4.48Å; F48-I257 HydrophobicContact CE1-CG2 4.03Å; K79-I257 HydrophobicContact CB-CB 4.43Å; K79-I257 HydrophobicContact CB-CG1 3.97Å; K79-I257 HydrophobicContact CB-CG2 4.19Å; K79-I257 HydrophobicContact CD-CD1 4.08Å; K79-I257 HydrophobicContact CD-CG1 4.13Å; W118-I257 HydrophobicContact CZ2-CD1 4.15Å; N134-I257 WeakPolarHBondContact OD1-CD1 3.39Å; L247-I257 HydrophobicContact CD1-CD1 4.49Å; L247-I257 HydrophobicContact CD2-CD1 4.29Å; L247-I257 HydrophobicContact CD2-CG2 4.3Å; A254-I257 HydrophobicContact CB-CB 4.43Å; A254-I257 VanDerWaalsContact O-CB 3.28Å; A254-I257 WeakPolarHBondContact O-CB 3.48Å; A254-I257 WeakPolarHBondContact O-CG1 3.4Å; A254-I257 PolarHBondContact O-N 3.41Å; I257-R259 HydrophobicContact CG2-CG 4.39Å; I257-R259 PolarHBondContact O-N 2.94Å | ||
| 258 | I | 97.5 | Very high | 92.2 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 28% | 0.282 | 31% | 0.305 | S | S | . | . | trans | -77 | 120.3 | 171 | -64.8 | -169.9 | 0 | 0 | 0 | 108.9 | H49 K79 E80 L82 N84 S256 A260 | H49-I258 PolarHBondContact NE2-O 2.9Å; H49-I258 VanDerWaalsContact NE2-O 3.11Å; K79-I258 PolarHBondContact O-N 3.18Å; E80-I258 WeakPolarHBondContact O-CD1 2.95Å; L82-I258 HydrophobicContact CD1-CG2 4.14Å; N84-I258 PolarHBondContact ND2-O 3.46Å; S256-I258 PolarHBondContact O-N 3.46Å; I258-A260 HydrophobicContact CG2-CB 4.01Å | ||
| 259 | R | 97.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 18% | 0.177 | 32% | 0.315 | C | S | . | . | trans | -100.2 | 5.3 | -174.5 | -70 | 175.8 | -68.5 | -172.7 | -1.4 | 114.7 | H49 L247 I248 A254 I257 N261 Y269 | H49-R259 WeakPolarHBondContact NE2-CA 3.48Å; L247-R259 HydrophobicContact CG-CG 4.46Å; L247-R259 WeakPolarHBondContact O-CD 3.45Å; L247-R259 PolarHBondContact O-NH1 2.74Å; I248-R259 HydrophobicContact CD1-CB 4.01Å; I248-R259 HydrophobicContact CD1-CG 4.42Å; I248-R259 WeakPolarHBondContact CD1-O 3.36Å; A254-R259 HydrophobicContact CB-CG 4.39Å; I257-R259 HydrophobicContact CG2-CG 4.39Å; I257-R259 PolarHBondContact O-N 2.94Å; R259-N261 PolarHBondContact O-N 3.1Å; R259-N261 PolarHBondContact O-ND2 2.85Å; R259-Y269 HydrophobicContact CB-CD1 4.21Å; R259-Y269 HydrophobicContact CB-CD2 3.59Å; R259-Y269 HydrophobicContact CB-CE2 4.13Å; R259-Y269 HydrophobicContact CB-CG 3.64Å; R259-Y269 HydrophobicContact CG-CD2 4.41Å; R259-Y269 PolarHBondContact NH1-OH 2.78Å; R259-Y269 PolarHBondContact NH2-OH 2.98Å; R259-Y269 WeakPolarHBondContact O-CB 3.41Å | ||
| 260 | A | 97.5 | Very high | 92.4 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | trans | -60.9 | 134.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L82 I258 Y269 V271 F276 | L82-A260 HydrophobicContact CD1-CB 3.62Å; I258-A260 HydrophobicContact CG2-CB 4.01Å; A260-Y269 WeakPolarHBondContact CA-O 3.19Å; A260-V271 HydrophobicContact CB-CG1 4.15Å; A260-V271 HydrophobicContact CB-CG2 4.49Å; A260-F276 HydrophobicContact CB-CE1 3.86Å; A260-F276 HydrophobicContact CB-CZ 3.98Å | ||
| 261 | N | 97.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -152.8 | 162.6 | -176.4 | 63.9 | 81 | 0 | 0 | 0 | 109.9 | H49 D50 R259 V264 S267 Y269 M270 V271 | H49-N261 HydrophobicContact CB-CB 3.91Å; D50-N261 WeakPolarHBondContact OD1-CB 3.39Å; D50-N261 WeakPolarHBondContact OD2-CA 3.48Å; R259-N261 PolarHBondContact O-N 3.1Å; R259-N261 PolarHBondContact O-ND2 2.85Å; N261-V264 HydrophobicContact CB-CB 4.33Å; N261-V264 HydrophobicContact CB-CG2 3.85Å; N261-V264 VanDerWaalsContact OD1-CB 3.24Å; N261-V264 WeakPolarHBondContact OD1-CB 3.34Å; N261-V264 PolarHBondContact OD1-N 3.01Å; N261-S267 WeakPolarHBondContact ND2-CB 3.46Å; N261-S267 PolarHBondContact ND2-OG 3.48Å; N261-Y269 PolarHBondContact N-O 3.35Å; N261-M270 CarbonylContact O-C 3.53Å; N261-M270 VanDerWaalsContact O-CA 3.25Å; N261-M270 WeakPolarHBondContact O-CA 3.32Å; N261-M270 WeakPolarHBondContact OD1-CG 3.47Å; N261-V271 PolarHBondContact O-N 3.48Å |
| 262 | V | 96.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -117.7 | -17.9 | -178.8 | -65.5 | 0 | 0 | 0 | 0 | 113.5 | I45 D50 M270 V271 F276 | I45-V262 HydrophobicContact CB-CG2 4.39Å; I45-V262 HydrophobicContact CG2-CG2 3.83Å; D50-V262 PolarHBondContact OD1-N 3.42Å; D50-V262 WeakPolarHBondContact OD2-CG2 3.45Å; D50-V262 PolarHBondContact OD2-N 3.5Å; D50-V262 VanDerWaalsContact OD2-N 3.15Å; V262-M270 WeakPolarHBondContact O-CE 3.48Å; V262-V271 HydrophobicContact CG1-CG2 3.9Å; V262-F276 HydrophobicContact CG1-CB 4.38Å; V262-F276 HydrophobicContact CG1-CD2 3.47Å; V262-F276 VanDerWaalsContact CG1-CD2 3.47Å; V262-F276 HydrophobicContact CG1-CE2 3.8Å; V262-F276 HydrophobicContact CG1-CG 3.91Å; V262-F276 HydrophobicContact CG1-CZ 4.5Å; V262-F276 HydrophobicContact CG2-CD2 4.42Å |
| 263 | T | 95 | Very high | 94.4 | Very high | 11 Ų | 11 | 52.3 Ų | 52.3 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -118.9 | -9.8 | -173.3 | 70.2 | 0 | 0 | 0 | 0 | 114.9 | V13 L16 D50 K265 | V13-T263 WeakPolarHBondContact CG1-OG1 3.47Å; L16-T263 HydrophobicContact CD1-CG2 3.94Å; L16-T263 HydrophobicContact CD2-CG2 4.07Å; L16-T263 HydrophobicContact CG-CG2 4.28Å; D50-T263 WeakPolarHBondContact CA-OG1 3.36Å; D50-T263 HydrophobicContact CB-CG2 4.45Å; D50-T263 PolarHBondContact O-OG1 3.03Å; D50-T263 PolarHBondContact OD1-N 2.82Å; D50-T263 PolarHBondContact OD1-OG1 2.81Å; T263-K265 PolarHBondContact O-N 2.81Å; T263-K265 VanDerWaalsContact O-N 3.12Å |
| 264 | V | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 93.5 | -174.2 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | V11 V13 H49 W244 I248 N261 G266 S267 | V11-V264 HydrophobicContact CG1-CG1 3.17Å; V13-V264 HydrophobicContact CG2-CG1 4.4Å; V13-V264 HydrophobicContact CG2-CG2 4.29Å; H49-V264 HydrophobicContact CB-CG2 4.35Å; H49-V264 WeakPolarHBondContact O-CG2 2.91Å; W244-V264 HydrophobicContact CH2-CG1 3.89Å; W244-V264 HydrophobicContact CH2-CG2 4.43Å; W244-V264 HydrophobicContact CZ2-CG1 4.28Å; W244-V264 HydrophobicContact CZ2-CG2 4.31Å; I248-V264 HydrophobicContact CG1-CG1 4.13Å; N261-V264 HydrophobicContact CB-CB 4.33Å; N261-V264 HydrophobicContact CB-CG2 3.85Å; N261-V264 VanDerWaalsContact OD1-CB 3.24Å; N261-V264 WeakPolarHBondContact OD1-CB 3.34Å; N261-V264 PolarHBondContact OD1-N 3.01Å; V264-G266 PolarHBondContact O-N 3.26Å; V264-S267 VanDerWaalsContact O-CB 3.25Å; V264-S267 WeakPolarHBondContact O-CB 3.36Å; V264-S267 PolarHBondContact O-N 3.24Å; V264-S267 VanDerWaalsContact O-N 3.08Å |
| 265 | K | 91.9 | Very high | 95.3 | Very high | 117 Ų | 117 | 54.4 Ų | 54.4 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 132.5 | -174.1 | -54.7 | 172.8 | 178.9 | 176 | 0 | 111.5 | A12 T263 S267 | A12-K265 WeakPolarHBondContact O-CA 3.36Å; A12-K265 WeakPolarHBondContact O-CB 3.47Å; A12-K265 WeakPolarHBondContact O-CG 3.35Å; A12-K265 PolarHBondContact O-N 3.07Å; T263-K265 PolarHBondContact O-N 2.81Å; T263-K265 VanDerWaalsContact O-N 3.12Å; K265-S267 PolarHBondContact O-N 2.84Å |
| 266 | G | 89.7 | Confident | 95.6 | Very high | 68 Ų | 68 | 50.7 Ų | 50.7 | 70% | 0.701 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -0 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V264 | V264-G266 PolarHBondContact O-N 3.26Š|
| 267 | S | 94.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | trans | -66.7 | 130.7 | 166.8 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | I248 N261 V264 K265 Y269 M270 | I248-S267 PolarHBondContact O-OG 2.91Å; N261-S267 WeakPolarHBondContact ND2-CB 3.46Å; N261-S267 PolarHBondContact ND2-OG 3.48Å; V264-S267 VanDerWaalsContact O-CB 3.25Å; V264-S267 WeakPolarHBondContact O-CB 3.36Å; V264-S267 PolarHBondContact O-N 3.24Å; V264-S267 VanDerWaalsContact O-N 3.08Å; K265-S267 PolarHBondContact O-N 2.84Å; S267-Y269 PolarHBondContact O-N 3.33Å; S267-Y269 PolarHBondContact OG-N 3.02Å; S267-M270 WeakPolarHBondContact O-CG 3.16Å; S267-M270 PolarHBondContact O-N 3.29Å | ||
| 268 | P | 95.2 | Very high | 95.6 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 53% | 0.532 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -1.5 | 171.2 | 30.2 | -30.6 | 0 | 0 | 0 | 112.6 | I248 T250 | I248-P268 WeakPolarHBondContact O-CD 3.38Å; T250-P268 HydrophobicContact CG2-CB 4.35Å; T250-P268 HydrophobicContact CG2-CG 3.41Å; T250-P268 VanDerWaalsContact CG2-CG 3.41Å |
| 269 | Y | 96 | Very high | 95.6 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 14.6 | 179.3 | -49.6 | -68.5 | 0 | 0 | 0 | 112.5 | I248 T250 R259 A260 N261 S267 V271 | I248-Y269 HydrophobicContact CD1-CD2 4.36Å; T250-Y269 HydrophobicContact CG2-CE2 4.06Å; T250-Y269 WeakPolarHBondContact CG2-OH 3.39Å; R259-Y269 HydrophobicContact CB-CD1 4.21Å; R259-Y269 HydrophobicContact CB-CD2 3.59Å; R259-Y269 HydrophobicContact CB-CE2 4.13Å; R259-Y269 HydrophobicContact CB-CG 3.64Å; R259-Y269 HydrophobicContact CG-CD2 4.41Å; R259-Y269 PolarHBondContact NH1-OH 2.78Å; R259-Y269 PolarHBondContact NH2-OH 2.98Å; R259-Y269 WeakPolarHBondContact O-CB 3.41Å; A260-Y269 WeakPolarHBondContact CA-O 3.19Å; N261-Y269 PolarHBondContact N-O 3.35Å; S267-Y269 PolarHBondContact O-N 3.33Å; S267-Y269 PolarHBondContact OG-N 3.02Å; Y269-V271 PolarHBondContact O-N 3Å |
| 270 | M | 96.2 | Very high | 95.6 | Very high | 91 Ų | 91 | 50 Ų | 50 | 45% | 0.448 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -61.3 | 133.6 | 173.7 | -72.2 | -172 | 78.8 | 0 | 0 | 110.3 | N261 V262 S267 | N261-M270 CarbonylContact O-C 3.53Å; N261-M270 VanDerWaalsContact O-CA 3.25Å; N261-M270 WeakPolarHBondContact O-CA 3.32Å; N261-M270 WeakPolarHBondContact OD1-CG 3.47Å; V262-M270 WeakPolarHBondContact O-CE 3.48Å; S267-M270 WeakPolarHBondContact O-CG 3.16Å; S267-M270 PolarHBondContact O-N 3.29Å |
| 271 | V | 95.6 | Very high | 95.5 | Very high | 48 Ų | 48 | 55.3 Ų | 55.3 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | trans | -119.7 | 165.9 | 172.6 | -59.4 | 0 | 0 | 0 | 0 | 110.2 | A260 N261 V262 Y269 F276 | A260-V271 HydrophobicContact CB-CG1 4.15Å; A260-V271 HydrophobicContact CB-CG2 4.49Å; N261-V271 PolarHBondContact O-N 3.48Å; V262-V271 HydrophobicContact CG1-CG2 3.9Å; Y269-V271 PolarHBondContact O-N 3Å; V271-F276 HydrophobicContact CG2-CD1 3.39Å; V271-F276 HydrophobicContact CG2-CE1 3.28Å; V271-F276 HydrophobicContact CG2-CE2 4.44Å; V271-F276 HydrophobicContact CG2-CG 4.07Å; V271-F276 HydrophobicContact CG2-CZ 3.85Å | ||
| 272 | S | 95 | Very high | 95.5 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | trans | -74.6 | 155.8 | 177.2 | 75.2 | 0 | 0 | 0 | 0 | 111.2 | E274 D275 F276 | S272-E274 WeakPolarHBondContact CB-OE2 3.4Å; S272-E274 PolarHBondContact O-N 3.27Å; S272-D275 WeakPolarHBondContact CB-OD2 3.45Å; S272-D275 PolarHBondContact N-OD2 2.82Å; S272-D275 PolarHBondContact O-N 3.34Å; S272-D275 WeakPolarHBondContact OG-CB 3.49Å; S272-D275 PolarHBondContact OG-N 3.32Å; S272-D275 PolarHBondContact OG-OD2 3.03Å; S272-F276 PolarHBondContact O-N 2.98Å | ||
| 273 | K | 94.2 | Very high | 95.5 | Very high | 102 Ų | 102 | 64.7 Ų | 64.7 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -33 | 174.6 | -71.3 | 177.4 | 169.4 | -166 | 0 | 110.9 | F276 L277 | K273-F276 PolarHBondContact O-N 3.25Å; K273-L277 WeakPolarHBondContact O-CB 3.22Å; K273-L277 PolarHBondContact O-N 2.85Å |
| 274 | E | 96 | Very high | 95.6 | Very high | 133 Ų | 133 | 69.8 Ų | 69.8 | 62% | 0.621 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 177.8 | -64.8 | 70.1 | -157 | 0 | 0 | 111.2 | S272 L277 D278 | S272-E274 WeakPolarHBondContact CB-OE2 3.4Å; S272-E274 PolarHBondContact O-N 3.27Å; E274-L277 PolarHBondContact O-N 3.44Å; E274-D278 WeakPolarHBondContact O-CB 3.5Å; E274-D278 PolarHBondContact O-N 3.42Å |
| 275 | D | 95.7 | Very high | 95.7 | Very high | 95 Ų | 95 | 73.2 Ų | 73.2 | 51% | 0.508 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 176.9 | -64.7 | -40.1 | 0 | 0 | 0 | 111.7 | S272 A279 | S272-D275 WeakPolarHBondContact CB-OD2 3.45Å; S272-D275 PolarHBondContact N-OD2 2.82Å; S272-D275 PolarHBondContact O-N 3.34Å; S272-D275 WeakPolarHBondContact OG-CB 3.49Å; S272-D275 PolarHBondContact OG-N 3.32Å; S272-D275 PolarHBondContact OG-OD2 3.03Å; D275-A279 VanDerWaalsContact O-CB 3.29Å; D275-A279 WeakPolarHBondContact O-CB 3.45Å; D275-A279 PolarHBondContact O-N 2.96Å |
| 276 | F | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 0% | 0.004 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.3 | -96.9 | 21.7 | 0 | 0 | 0 | 111.9 | P44 L82 M83 A260 V262 V271 S272 K273 A279 L280 | P44-F276 HydrophobicContact CB-CB 4.24Å; L82-F276 HydrophobicContact CD1-CD1 4.48Å; L82-F276 HydrophobicContact CD1-CE1 3.73Å; L82-F276 HydrophobicContact CD2-CD1 4.32Å; L82-F276 HydrophobicContact CD2-CE1 4.34Å; L82-F276 HydrophobicContact CG-CD1 4.29Å; L82-F276 HydrophobicContact CG-CE1 3.85Å; M83-F276 HydrophobicContact CB-CE2 4.39Å; M83-F276 HydrophobicContact CG-CD1 3.94Å; M83-F276 HydrophobicContact CG-CD2 3.59Å; M83-F276 HydrophobicContact CG-CE1 3.95Å; M83-F276 HydrophobicContact CG-CE2 3.64Å; M83-F276 HydrophobicContact CG-CG 3.75Å; M83-F276 HydrophobicContact CG-CZ 3.82Å; M83-F276 HydrophobicContact SD-CB 4.36Å; M83-F276 HydrophobicContact SD-CD2 4.34Å; M83-F276 HydrophobicContact SD-CG 4.23Å; A260-F276 HydrophobicContact CB-CE1 3.86Å; A260-F276 HydrophobicContact CB-CZ 3.98Å; V262-F276 HydrophobicContact CG1-CB 4.38Å; V262-F276 HydrophobicContact CG1-CD2 3.47Å; V262-F276 VanDerWaalsContact CG1-CD2 3.47Å; V262-F276 HydrophobicContact CG1-CE2 3.8Å; V262-F276 HydrophobicContact CG1-CG 3.91Å; V262-F276 HydrophobicContact CG1-CZ 4.5Å; V262-F276 HydrophobicContact CG2-CD2 4.42Å; V271-F276 HydrophobicContact CG2-CD1 3.39Å; V271-F276 HydrophobicContact CG2-CE1 3.28Å; V271-F276 HydrophobicContact CG2-CE2 4.44Å; V271-F276 HydrophobicContact CG2-CG 4.07Å; V271-F276 HydrophobicContact CG2-CZ 3.85Å; S272-F276 PolarHBondContact O-N 2.98Å; K273-F276 PolarHBondContact O-N 3.25Å; F276-A279 PolarHBondContact O-N 3.28Å; F276-L280 WeakPolarHBondContact O-CB 3.27Å; F276-L280 PolarHBondContact O-N 3.42Å |
| 277 | L | 96.9 | Very high | 96.4 | Very high | 67 Ų | 67 | 71.7 Ų | 71.7 | 35% | 0.351 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.8 | -47.2 | 176.6 | -176.7 | 61.5 | 0 | 0 | 0 | 112.2 | P44 K273 E274 A279 L280 Q281 | P44-L277 HydrophobicContact CG-CB 4.41Å; P44-L277 HydrophobicContact CG-CD1 4.22Å; K273-L277 WeakPolarHBondContact O-CB 3.22Å; K273-L277 PolarHBondContact O-N 2.85Å; E274-L277 PolarHBondContact O-N 3.44Å; L277-A279 VanDerWaalsContact C-N 3.34Å; L277-A279 PolarHBondContact O-N 2.84Å; L277-L280 PolarHBondContact O-N 3.24Å; L277-Q281 HydrophobicContact CD1-CG 4.47Å; L277-Q281 WeakPolarHBondContact O-CB 3.32Å; L277-Q281 VanDerWaalsContact O-CG 3.28Å; L277-Q281 WeakPolarHBondContact O-CG 3.45Å; L277-Q281 PolarHBondContact O-N 3.34Å |
| 278 | D | 97.1 | Very high | 96.5 | Very high | 78 Ų | 78 | 80.4 Ų | 80.4 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 175.5 | 176 | 63.9 | 0 | 0 | 0 | 111 | E274 Q281 K282 | E274-D278 WeakPolarHBondContact O-CB 3.5Å; E274-D278 PolarHBondContact O-N 3.42Å; D278-Q281 PolarHBondContact O-N 3.38Å; D278-K282 WeakPolarHBondContact O-CG 3.29Å; D278-K282 PolarHBondContact O-N 3.27Å; D278-K282 WeakPolarHBondContact OD2-CE 3.43Å; D278-K282 IonicContact OD2-NZ 2.92Å; D278-K282 PolarHBondContact OD2-NZ 2.91Å |
| 279 | A | 96.8 | Very high | 96.6 | Very high | 17 Ų | 17 | 77.2 Ų | 77.2 | 14% | 0.14 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L82 M83 D275 F276 L277 Q281 K282 H283 | L82-A279 HydrophobicContact CD2-CB 3.51Å; M83-A279 HydrophobicContact CE-CB 4.2Å; D275-A279 VanDerWaalsContact O-CB 3.29Å; D275-A279 WeakPolarHBondContact O-CB 3.45Å; D275-A279 PolarHBondContact O-N 2.96Å; F276-A279 PolarHBondContact O-N 3.28Å; L277-A279 VanDerWaalsContact C-N 3.34Å; L277-A279 PolarHBondContact O-N 2.84Å; A279-Q281 VanDerWaalsContact C-N 3.28Å; A279-Q281 PolarHBondContact O-N 3.4Å; A279-K282 WeakPolarHBondContact O-CB 2.93Å; A279-K282 PolarHBondContact O-N 3.4Å; A279-H283 PolarHBondContact O-CD2 3.42Å |
| 280 | L | 97.1 | Very high | 96.5 | Very high | 8 Ų | 8 | 79.7 Ų | 79.7 | 4% | 0.042 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.2 | -43.6 | 175.5 | -179.9 | 62.4 | 0 | 0 | 0 | 110.5 | R26 F37 T39 P44 M83 F276 L277 K282 H283 | R26-L280 HydrophobicContact CG-CD1 4.05Å; R26-L280 PolarHBondContact NH1-O 3.2Å; R26-L280 PolarHBondContact NH2-O 2.83Å; F37-L280 HydrophobicContact CB-CD1 3.94Å; F37-L280 HydrophobicContact CD1-CD1 4.04Å; F37-L280 HydrophobicContact CD2-CD1 3.36Å; F37-L280 HydrophobicContact CE1-CD1 4.42Å; F37-L280 HydrophobicContact CE2-CD1 3.78Å; F37-L280 HydrophobicContact CG-CD1 3.5Å; F37-L280 VanDerWaalsContact CG-CD1 3.5Å; F37-L280 HydrophobicContact CZ-CD1 4.3Å; T39-L280 HydrophobicContact CG2-CD2 4.21Å; P44-L280 HydrophobicContact CB-CD2 4.03Å; P44-L280 HydrophobicContact CG-CB 4.02Å; P44-L280 HydrophobicContact CG-CD2 3.51Å; P44-L280 HydrophobicContact CG-CG 4.38Å; M83-L280 HydrophobicContact CE-CB 4Å; M83-L280 HydrophobicContact CE-CD1 4.48Å; M83-L280 HydrophobicContact SD-CB 4.1Å; F276-L280 WeakPolarHBondContact O-CB 3.27Å; F276-L280 PolarHBondContact O-N 3.42Å; L277-L280 PolarHBondContact O-N 3.24Å; L280-K282 PolarHBondContact O-N 3.44Å; L280-H283 PolarHBondContact O-N 3.23Å |
| 281 | Q | 96.1 | Very high | 96.4 | Very high | 123 Ų | 123 | 80.1 Ų | 80.1 | 58% | 0.575 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.1 | -23.3 | -178.8 | -76 | 176.6 | -3.7 | 0 | 0 | 113.9 | R26 L277 D278 A279 H283 | R26-Q281 PolarHBondContact NH2-O 2.64Å; L277-Q281 HydrophobicContact CD1-CG 4.47Å; L277-Q281 WeakPolarHBondContact O-CB 3.32Å; L277-Q281 VanDerWaalsContact O-CG 3.28Å; L277-Q281 WeakPolarHBondContact O-CG 3.45Å; L277-Q281 PolarHBondContact O-N 3.34Å; D278-Q281 PolarHBondContact O-N 3.38Å; A279-Q281 VanDerWaalsContact C-N 3.28Å; A279-Q281 PolarHBondContact O-N 3.4Å; Q281-H283 VanDerWaalsContact C-N 3.32Å; Q281-H283 PolarHBondContact O-N 3.26Å |
| 282 | K | 96.7 | Very high | 96.1 | Very high | 150 Ų | 150 | 80.3 Ų | 80.3 | 65% | 0.652 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -15.6 | 176.2 | -69.4 | 167.8 | -170 | 162.7 | 0 | 115 | D278 A279 L280 | D278-K282 WeakPolarHBondContact O-CG 3.29Å; D278-K282 PolarHBondContact O-N 3.27Å; D278-K282 WeakPolarHBondContact OD2-CE 3.43Å; D278-K282 IonicContact OD2-NZ 2.92Å; D278-K282 PolarHBondContact OD2-NZ 2.91Å; A279-K282 WeakPolarHBondContact O-CB 2.93Å; A279-K282 PolarHBondContact O-N 3.4Å; L280-K282 PolarHBondContact O-N 3.44Å |
| 283 | H | 97 | Very high | 95.9 | Very high | 64 Ų | 64 | 84.8 Ų | 84.8 | 30% | 0.296 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -71.5 | 157.4 | 174.7 | -72.5 | -95.5 | 0 | 0 | 0 | 111 | R26 F37 A279 L280 Q281 | R26-H283 HydrophobicContact CB-CB 3.8Å; R26-H283 HydrophobicContact CG-CB 4.06Å; R26-H283 PolarHBondContact NH2-O 3.46Å; F37-H283 AromaticContact CZ-CD2 3.83Å; F37-H283 AromaticContact CZ-CE1 3.61Å; F37-H283 AromaticContact CZ-ND1 3.98Å; F37-H283 AromaticContact CZ-NE2 3.49Å; F37-H283 WeakPolarHBondContact CZ-NE2 3.38Å; A279-H283 PolarHBondContact O-CD2 3.42Å; L280-H283 PolarHBondContact O-N 3.23Å; Q281-H283 VanDerWaalsContact C-N 3.32Å; Q281-H283 PolarHBondContact O-N 3.26Å |
| 284 | D | 97.5 | Very high | 95.8 | Very high | 117 Ų | 117 | 84 Ų | 84 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 148.5 | 172.2 | -67.1 | -41.5 | 0 | 0 | 0 | 110.9 | R26 G27 | R26-D284 WeakPolarHBondContact CB-O 3.25Å; R26-D284 WeakPolarHBondContact CD-O 3.44Å; R26-D284 PolarHBondContact NE-O 3.28Å; G27-D284 PolarHBondContact N-O 3.24Å |
| 285 | A | 97.4 | Very high | 95.6 | Very high | 73 Ų | 73 | 85.8 Ų | 85.8 | 60% | 0.603 | 45% | 0.454 | S | S | * | . | B | Isolated β-bridge | trans | -58.9 | 149 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T287 | A285-T287 PolarHBondContact O-N 3.2Å |
| 286 | F | 98.2 | Very high | 95.4 | Very high | 82 Ų | 82 | 83.5 Ų | 83.5 | 36% | 0.36 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 132.2 | 178.4 | 173.1 | -107.7 | 0 | 0 | 0 | 111.3 | E25 G27 Y34 | E25-F286 HydrophobicContact CB-CB 4.04Å; E25-F286 HydrophobicContact CB-CD2 3.64Å; E25-F286 HydrophobicContact CB-CE2 4.25Å; E25-F286 HydrophobicContact CB-CG 3.87Å; E25-F286 WeakPolarHBondContact OE1-CE2 3.38Å; G27-F286 VanDerWaalsContact O-CA 3.3Å; G27-F286 WeakPolarHBondContact O-CA 3.45Å; Y34-F286 HydrophobicContact CD2-CD2 4.36Å; Y34-F286 HydrophobicContact CD2-CE2 4.27Å; Y34-F286 AromaticContact CE2-CD2 3.94Å; Y34-F286 HydrophobicContact CE2-CD2 3.94Å; Y34-F286 AromaticContact CE2-CE2 3.68Å; Y34-F286 HydrophobicContact CE2-CE2 3.68Å |
| 287 | T | 98.2 | Very high | 95.2 | Very high | 70 Ų | 70 | 84.6 Ų | 84.6 | 43% | 0.429 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -132.8 | 147.7 | 166.4 | 64.3 | 0 | 0 | 0 | 0 | 110 | G27 T28 S29 A285 G289 | G27-T287 PolarHBondContact O-N 2.97Å; T28-T287 CarbonylContact C-O 3.57Å; T28-T287 VanDerWaalsContact CA-O 3.32Å; T28-T287 WeakPolarHBondContact CA-O 3.49Å; T28-T287 PolarHBondContact OG1-OG1 2.65Å; S29-T287 PolarHBondContact N-O 3.04Å; A285-T287 PolarHBondContact O-N 3.2Å; T287-G289 PolarHBondContact O-N 3.32Å |
| 288 | R | 97.5 | Very high | 95 | Very high | 191 Ų | 191 | 85.9 Ų | 85.9 | 72% | 0.721 | 46% | 0.46 | S | S | * | . | trans | -80.9 | 113.3 | 174.9 | -172 | 171.1 | -175.7 | 161.7 | 3.6 | 109.3 | E291 | R288-E291 IonicContact CZ-OE1 2.78Å; R288-E291 IonicContact NE-OE1 2.73Å; R288-E291 IonicContact NH2-OE1 3.45Å; R288-E291 PolarHBondContact NH2-OE1 2.99Å | ||
| 289 | G | 96 | Very high | 94.9 | Very high | 16 Ų | 16 | 87.1 Ų | 87.1 | 17% | 0.165 | 46% | 0.464 | C | S | . | . | trans | -78.3 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S29 T287 | S29-G289 WeakPolarHBondContact O-CA 3.49Å; S29-G289 PolarHBondContact OG-N 2.91Å; T287-G289 PolarHBondContact O-N 3.32Å | ||
| 290 | S | 94.8 | Very high | 94.8 | Very high | 107 Ų | 107 | 91.3 Ų | 91.3 | 75% | 0.748 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 137.2 | 176.3 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | H30 | H30-S290 VanDerWaalsContact CB-O 3.29Å; H30-S290 WeakPolarHBondContact CB-O 3.25Å; H30-S290 PolarHBondContact CD2-O 2.96Å |
| 291 | E | 92.5 | Very high | 94.8 | Very high | 99 Ų | 99 | 92.6 Ų | 92.6 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 145.6 | 173.4 | -60.2 | -64.5 | 152.2 | 0 | 0 | 110.4 | H30 R288 T293 | H30-E291 IonicContact CD2-OE2 2.59Å; H30-E291 IonicContact CE1-OE2 2.65Å; H30-E291 PolarHBondContact CE1-OE2 2.64Å; H30-E291 VanDerWaalsContact CE1-OE2 3.31Å; H30-E291 IonicContact NE2-OE1 2.72Å; H30-E291 PolarHBondContact NE2-OE1 2.9Å; H30-E291 IonicContact NE2-OE2 2.71Å; H30-E291 PolarHBondContact NE2-OE2 3.43Å; R288-E291 IonicContact CZ-OE1 2.78Å; R288-E291 IonicContact NE-OE1 2.73Å; R288-E291 IonicContact NH2-OE1 3.45Å; R288-E291 PolarHBondContact NH2-OE1 2.99Å; E291-T293 PolarHBondContact O-N 2.86Å |
| 292 | P | 91.3 | Very high | 94.7 | Very high | 52 Ų | 52 | 94.3 Ų | 94.3 | 34% | 0.338 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 134.5 | 178 | -20.8 | 32.3 | 0 | 0 | 0 | 111.6 | Y97 I297 | Y97-P292 HydrophobicContact CE1-CG 4.23Å; Y97-P292 WeakPolarHBondContact OH-CG 3.44Å; P292-I297 HydrophobicContact CB-CD1 3.38Å; P292-I297 HydrophobicContact CG-CD1 4.29Å |
| 293 | T | 89.8 | Confident | 94.4 | Very high | 136 Ų | 136 | 88.6 Ų | 88.6 | 83% | 0.834 | 47% | 0.466 | S | S | * | . | trans | -106.3 | -1.3 | -179 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | E291 Q295 | E291-T293 PolarHBondContact O-N 2.86Å; T293-Q295 PolarHBondContact O-N 3.36Å | ||
| 294 | D | 91.9 | Very high | 93.6 | Very high | 85 Ų | 85 | 86.3 Ų | 86.3 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | trans | -72.2 | 112.3 | -179.4 | -170.5 | -15.1 | 0 | 0 | 0 | 110 | A296 I297 | D294-A296 PolarHBondContact O-N 3.4Å; D294-A296 VanDerWaalsContact O-N 3.12Å; D294-A296 VanDerWaalsContact OD1-CB 3.24Å; D294-A296 WeakPolarHBondContact OD1-CB 3.46Å; D294-A296 PolarHBondContact OD1-N 3.44Å; D294-I297 HydrophobicContact CB-CD1 3.98Å; D294-I297 HydrophobicContact CB-CG1 4.19Å; D294-I297 WeakPolarHBondContact O-CB 3.47Å; D294-I297 WeakPolarHBondContact O-CG1 3.24Å; D294-I297 PolarHBondContact O-N 3.08Å | ||
| 295 | Q | 91.4 | Very high | 92.8 | Very high | 171 Ų | 171 | 85.6 Ų | 85.6 | 80% | 0.799 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -60.4 | -22.1 | -179.9 | -67.8 | -174.3 | -19.2 | 0 | 0 | 112.9 | T293 I297 D298 Q299 | T293-Q295 PolarHBondContact O-N 3.36Å; Q295-I297 PolarHBondContact O-N 3.5Å; Q295-D298 PolarHBondContact O-N 3.15Å; Q295-Q299 PolarHBondContact O-N 2.8Å |
| 296 | A | 92 | Very high | 91.7 | Very high | 46 Ų | 46 | 87.9 Ų | 87.9 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -61.9 | -24.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D294 D298 Q299 | D294-A296 PolarHBondContact O-N 3.4Å; D294-A296 VanDerWaalsContact O-N 3.12Å; D294-A296 VanDerWaalsContact OD1-CB 3.24Å; D294-A296 WeakPolarHBondContact OD1-CB 3.46Å; D294-A296 PolarHBondContact OD1-N 3.44Å; A296-D298 VanDerWaalsContact C-N 3.3Å; A296-D298 PolarHBondContact O-N 2.93Å; A296-Q299 PolarHBondContact O-N 3.46Å |
| 297 | I | 93.2 | Very high | 90.3 | Very high | 25 Ų | 25 | 90.3 Ų | 90.3 | 13% | 0.128 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -67.6 | -31.2 | 178.3 | -64.1 | 170.5 | 0 | 0 | 0 | 111.6 | N72 Y97 N100 P292 D294 Q295 | N72-I297 PolarHBondContact ND2-O 2.91Å; Y97-I297 HydrophobicContact CD1-CD1 4.32Å; Y97-I297 HydrophobicContact CD1-CG1 4.4Å; Y97-I297 HydrophobicContact CD1-CG2 3.71Å; Y97-I297 HydrophobicContact CD2-CD1 3.65Å; Y97-I297 HydrophobicContact CD2-CG1 3.81Å; Y97-I297 HydrophobicContact CE1-CD1 4.27Å; Y97-I297 HydrophobicContact CE1-CG2 4.24Å; Y97-I297 HydrophobicContact CE2-CD1 3.6Å; Y97-I297 HydrophobicContact CE2-CG1 4.29Å; Y97-I297 HydrophobicContact CG-CD1 4.04Å; Y97-I297 HydrophobicContact CG-CG1 3.89Å; Y97-I297 HydrophobicContact CG-CG2 3.93Å; N100-I297 PolarHBondContact ND2-O 2.92Å; P292-I297 HydrophobicContact CB-CD1 3.38Å; P292-I297 HydrophobicContact CG-CD1 4.29Å; D294-I297 HydrophobicContact CB-CD1 3.98Å; D294-I297 HydrophobicContact CB-CG1 4.19Å; D294-I297 WeakPolarHBondContact O-CB 3.47Å; D294-I297 WeakPolarHBondContact O-CG1 3.24Å; D294-I297 PolarHBondContact O-N 3.08Å; Q295-I297 PolarHBondContact O-N 3.5Å |
| 298 | D | 93.1 | Very high | 89.9 | Confident | 93 Ų | 93 | 91.3 Ų | 91.3 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -0.3 | 178.9 | -74.8 | -58.6 | 0 | 0 | 0 | 113 | K105 Q295 A296 | K105-D298 IonicContact NZ-OD1 2.66Å; K105-D298 PolarHBondContact NZ-OD1 3.12Å; Q295-D298 PolarHBondContact O-N 3.15Å; A296-D298 VanDerWaalsContact C-N 3.3Å; A296-D298 PolarHBondContact O-N 2.93Å |
| 299 | Q | 95.3 | Very high | 89.5 | Confident | 104 Ų | 104 | 86.1 Ų | 86.1 | 49% | 0.486 | 47% | 0.465 | S | S | . | . | trans | -65 | 138 | 178.9 | -176.5 | 173.6 | 2 | 0 | 0 | 111.2 | N100 Q295 A296 | N100-Q299 WeakPolarHBondContact CB-O 3.37Å; N100-Q299 PolarHBondContact ND2-O 3.44Å; Q295-Q299 PolarHBondContact O-N 2.8Å; A296-Q299 PolarHBondContact O-N 3.46Å | ||
| 300 | W | 94.6 | Very high | 89.1 | Confident | 105 Ų | 105 | 89.9 Ų | 89.9 | 40% | 0.398 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 139.5 | 173.1 | -75.7 | 58.3 | 0 | 0 | 0 | 111.2 | N100 F102 P103 F302 | N100-W300 CarbonylContact O-C 3.54Å; N100-W300 WeakPolarHBondContact O-CA 3.43Å; F102-W300 HydrophobicContact CB-CE3 3.58Å; F102-W300 HydrophobicContact CB-CZ3 3.92Å; F102-W300 HydrophobicContact CD2-CD2 4.43Å; F102-W300 AromaticContact CD2-CE3 3.18Å; F102-W300 HydrophobicContact CD2-CE3 3.18Å; F102-W300 HydrophobicContact CD2-CH2 4.3Å; F102-W300 AromaticContact CD2-CZ3 3.06Å; F102-W300 HydrophobicContact CD2-CZ3 3.06Å; F102-W300 HydrophobicContact CE2-CE3 4.08Å; F102-W300 AromaticContact CE2-CZ3 3.58Å; F102-W300 HydrophobicContact CE2-CZ3 3.58Å; F102-W300 AromaticContact CG-CE3 3.72Å; F102-W300 HydrophobicContact CG-CE3 3.72Å; F102-W300 AromaticContact CG-CZ3 3.66Å; F102-W300 HydrophobicContact CG-CZ3 3.66Å; P103-W300 VanDerWaalsContact O-CH2 3.31Å; P103-W300 WeakPolarHBondContact O-CH2 3.04Å; W300-F302 HydrophobicContact CB-CE2 4.28Å |
| 301 | H | 96 | Very high | 88.8 | Confident | 36 Ų | 36 | 88.9 Ų | 88.9 | 17% | 0.167 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.3 | 175.6 | -60.6 | -93.7 | 0 | 0 | 0 | 110.2 | N99 N100 V101 F102 P213 | N99-H301 PolarHBondContact ND2-NE2 3.13Å; N99-H301 VanDerWaalsContact ND2-NE2 3.13Å; N100-H301 PolarHBondContact O-N 2.94Å; V101-H301 CarbonylContact C-O 3.59Å; V101-H301 WeakPolarHBondContact CA-O 3.45Å; F102-H301 PolarHBondContact N-O 3.06Å; P213-H301 HydrophobicContact CB-CB 4.2Å; P213-H301 HydrophobicContact CG-CB 3.61Å |
| 302 | F | 94.8 | Very high | 88.6 | Confident | 158 Ų | 158 | 88.3 Ų | 88.3 | 69% | 0.693 | 47% | 0.466 | S | S | * | . | trans | -102.7 | 87.9 | -177.8 | -63.7 | -98.1 | 0 | 0 | 0 | 108.8 | F102 W300 | F102-F302 HydrophobicContact CB-CD1 3.73Å; F102-F302 HydrophobicContact CB-CE1 3.84Å; F102-F302 HydrophobicContact CB-CG 4.28Å; F102-F302 HydrophobicContact CB-CZ 4.45Å; F102-F302 HydrophobicContact CD1-CD1 4.3Å; F102-F302 HydrophobicContact CD1-CE1 4.24Å; F102-F302 HydrophobicContact CD2-CD1 4.03Å; F102-F302 AromaticContact CD2-CE1 3.27Å; F102-F302 HydrophobicContact CD2-CE1 3.27Å; F102-F302 AromaticContact CD2-CZ 3.79Å; F102-F302 HydrophobicContact CD2-CZ 3.79Å; F102-F302 AromaticContact CE2-CE1 4Å; F102-F302 HydrophobicContact CE2-CE1 4Å; F102-F302 AromaticContact CG-CD1 3.76Å; F102-F302 HydrophobicContact CG-CD1 3.76Å; F102-F302 AromaticContact CG-CE1 3.51Å; F102-F302 HydrophobicContact CG-CE1 3.51Å; F102-F302 HydrophobicContact CG-CZ 4.31Å; W300-F302 HydrophobicContact CB-CE2 4.28Å | ||
| 303 | C | 90.2 | Very high | 88.4 | Confident | 30 Ų | 30 | 90.7 Ų | 90.7 | 20% | 0.203 | 47% | 0.474 | C | S | . | . | trans | -110.9 | -18.9 | -171.9 | -59.1 | 0 | 0 | 0 | 0 | 114.2 | V101 Y209 V212 P305 | V101-C303 HydrophobicContact CG1-CB 4.05Å; Y209-C303 HydrophobicContact CD1-CB 4.39Å; Y209-C303 HydrophobicContact CG-CB 4.46Å; V212-C303 HydrophobicContact CB-CB 4.34Å; V212-C303 HydrophobicContact CG1-CB 4.15Å; C303-P305 WeakPolarHBondContact O-CD 3.17Å | ||
| 304 | N | 80.6 | Confident | 88.3 | Confident | 17 Ų | 17 | 87.5 Ų | 87.5 | 9% | 0.091 | 45% | 0.449 | C | S | . | . | trans | -92.9 | 110.8 | 179.3 | -171.4 | -6.3 | 0 | 0 | 0 | 109.6 | D205 Y209 N306 I307 | D205-N304 PolarHBondContact OD2-ND2 2.99Å; Y209-N304 HydrophobicContact CD2-CB 3.79Å; Y209-N304 HydrophobicContact CE2-CB 3.6Å; Y209-N304 PolarHBondContact OH-OD1 3.22Å; N304-N306 PolarHBondContact O-N 3.39Å; N304-N306 PolarHBondContact OD1-N 3.47Å; N304-I307 HydrophobicContact CB-CD1 3.73Å; N304-I307 HydrophobicContact CB-CG1 3.83Å | ||
| 305 | P | 79.4 | Confident | 88 | Confident | 102 Ų | 102 | 87.7 Ų | 87.7 | 66% | 0.662 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -9.2 | -178.5 | 31.2 | -36.6 | 0 | 0 | 0 | 113.5 | C303 | C303-P305 WeakPolarHBondContact O-CD 3.17Š|
| 306 | N | 75.3 | Confident | 87.7 | Confident | 121 Ų | 121 | 80.8 Ų | 80.8 | 65% | 0.647 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 23.5 | -175.1 | -57.4 | -52.3 | 0 | 0 | 0 | 113.2 | N304 | N304-N306 PolarHBondContact O-N 3.39Å; N304-N306 PolarHBondContact OD1-N 3.47Å |
| 307 | I | 68.3 | Low | 87.3 | Confident | 132 Ų | 132 | 83.9 Ų | 83.9 | 68% | 0.677 | 42% | 0.423 | S | S | * | . | trans | -108.4 | 0 | 177.1 | -57.8 | -168.2 | 0 | 0 | 0 | 109.9 | F102 P103 N304 | F102-I307 HydrophobicContact CD1-CG2 4.09Å; F102-I307 HydrophobicContact CE1-CG2 3.79Å; F102-I307 WeakPolarHBondContact O-CD1 3.39Å; P103-I307 HydrophobicContact CG-CD1 4.49Å; N304-I307 HydrophobicContact CB-CD1 3.73Å; N304-I307 HydrophobicContact CB-CG1 3.83Å |
Retrieved 307 of 307 residues in 152.5 ms
(Link to these results)