| 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 | 63.7 | Low | 92.9 | Very high | 223 Ų | 223 | 70.5 Ų | 70.5 | 100% | 1.099 | 41% | 0.409 | S | S | * | . | 0 | 137.2 | 0 | -78.1 | 174.5 | 173.3 | 0 | 0 | 107.5 | |||||
| 2 | S | 87.4 | Confident | 93.4 | Very high | 96 Ų | 96 | 67.1 Ų | 67.1 | 67% | 0.671 | 39% | 0.388 | S | S | * | . | trans | -70.2 | 151 | 171.3 | 45.8 | 0 | 0 | 0 | 0 | 110.2 | T4 | S2-T4 PolarHBondContact O-N 3.38Š| ||
| 3 | L | 93.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 61.9 Ų | 61.9 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | trans | -70 | 118.8 | 174 | 174 | 55.8 | 0 | 0 | 0 | 109.5 | V40 H41 L43 V154 A155 | L3-V40 HydrophobicContact CD1-CG1 3.78Å; L3-H41 VanDerWaalsContact CA-O 3.32Å; L3-H41 WeakPolarHBondContact CA-O 3.46Å; L3-H41 WeakPolarHBondContact CD1-O 3.48Å; L3-L43 HydrophobicContact CD1-CD2 3.63Å; L3-L43 HydrophobicContact CD1-CG 4.16Å; L3-L43 HydrophobicContact CD2-CD2 4.25Å; L3-V154 HydrophobicContact CD2-CB 4.04Å; L3-V154 HydrophobicContact CD2-CG2 4.05Å; L3-V154 WeakPolarHBondContact CD2-O 3.36Å; L3-A155 HydrophobicContact CD2-CB 3.65Å; L3-A155 HydrophobicContact CG-CB 4.26Å | ||
| 4 | T | 96.6 | Very high | 94.1 | Very high | 62 Ų | 62 | 65.2 Ų | 65.2 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.8 | 174.1 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | S2 H41 | S2-T4 PolarHBondContact O-N 3.38Å; T4-H41 PolarHBondContact N-O 3.14Å; T4-H41 VanDerWaalsContact N-O 3.15Å; T4-H41 PolarHBondContact O-N 3.27Å; T4-H41 WeakPolarHBondContact OG1-CB 3.42Å |
| 5 | I | 98 | Very high | 94.3 | Very high | 16 Ų | 16 | 66.1 Ų | 66.1 | 8% | 0.082 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 123.8 | -179.8 | -55.8 | -175.6 | 0 | 0 | 0 | 107.8 | Y38 R39 V40 L136 V138 A155 R157 F159 | I5-Y38 HydrophobicContact CG2-CD1 4.27Å; I5-R39 CarbonylContact C-O 3.52Å; I5-R39 VanDerWaalsContact CA-O 3.3Å; I5-R39 WeakPolarHBondContact CA-O 3.13Å; I5-V40 HydrophobicContact CG1-CG1 4.31Å; I5-V40 HydrophobicContact CG1-CG2 4.37Å; I5-V40 HydrophobicContact CG2-CG2 4.45Å; I5-L136 HydrophobicContact CD1-CD2 3.77Å; I5-L136 HydrophobicContact CG2-CD2 3.65Å; I5-V138 HydrophobicContact CD1-CG2 3.94Å; I5-A155 HydrophobicContact CD1-CB 3.79Å; I5-R157 HydrophobicContact CB-CG 4.36Å; I5-R157 HydrophobicContact CD1-CB 4.48Å; I5-R157 HydrophobicContact CD1-CG 3.99Å; I5-R157 HydrophobicContact CG1-CG 4.45Å; I5-F159 HydrophobicContact CG2-CE2 4.43Å; I5-F159 HydrophobicContact CG2-CZ 4.3Å; I5-F159 WeakPolarHBondContact O-CZ 3.41Å |
| 6 | D | 97.8 | Very high | 94.6 | Very high | 82 Ų | 82 | 62 Ų | 62 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.7 | 178.2 | -57.1 | -41.9 | 0 | 0 | 0 | 110.5 | D8 Y38 R39 H41 | D6-D8 PolarHBondContact O-N 3.08Å; D6-Y38 CarbonylContact O-C 3.53Å; D6-Y38 VanDerWaalsContact O-CA 3.29Å; D6-Y38 WeakPolarHBondContact O-CA 3.42Å; D6-R39 HydrophobicContact CB-CB 4.43Å; D6-R39 PolarHBondContact N-O 3.18Å; D6-R39 PolarHBondContact O-N 3.32Å; D6-H41 IonicContact OD2-CD2 3.8Å; D6-H41 IonicContact OD2-NE2 2.56Å; D6-H41 PolarHBondContact OD2-NE2 3.37Å |
| 7 | L | 98.2 | Very high | 94.8 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 115 | 171 | -178.9 | 66.4 | 0 | 0 | 0 | 109.8 | A10 W13 Y38 F159 E161 T162 | L7-A10 HydrophobicContact CB-CB 4.33Å; L7-A10 HydrophobicContact CD2-CB 4.17Å; L7-A10 HydrophobicContact CG-CB 4.32Å; L7-A10 PolarHBondContact O-N 2.98Å; L7-W13 HydrophobicContact CD2-CB 4.05Å; L7-W13 HydrophobicContact CD2-CG 3.98Å; L7-Y38 HydrophobicContact CD1-CD1 4.16Å; L7-Y38 HydrophobicContact CD1-CE1 3.82Å; L7-F159 HydrophobicContact CB-CD1 3.68Å; L7-F159 HydrophobicContact CB-CD2 4.32Å; L7-F159 HydrophobicContact CB-CE1 3.69Å; L7-F159 HydrophobicContact CB-CE2 4.33Å; L7-F159 HydrophobicContact CB-CG 4Å; L7-F159 HydrophobicContact CB-CZ 4.02Å; L7-F159 HydrophobicContact CD2-CB 4.08Å; L7-F159 HydrophobicContact CD2-CD1 4.31Å; L7-F159 HydrophobicContact CD2-CG 4.19Å; L7-F159 HydrophobicContact CG-CG 4.5Å; L7-E161 HydrophobicContact CD2-CG 3.68Å; L7-E161 WeakPolarHBondContact CD2-OE1 3.22Å; L7-T162 HydrophobicContact CD1-CG2 3.75Å; L7-T162 HydrophobicContact CD2-CG2 3.57Å; L7-T162 HydrophobicContact CG-CG2 4.34Å |
| 8 | D | 97.1 | Very high | 95 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 10% | 0.096 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 137 | 174.6 | -167 | 65.8 | 0 | 0 | 0 | 108.9 | D6 R37 R39 P105 | D6-D8 PolarHBondContact O-N 3.08Å; D8-R37 HydrophobicContact CB-CB 3.71Å; D8-R37 WeakPolarHBondContact CB-O 3.2Å; D8-R37 PolarHBondContact N-O 3.42Å; D8-R37 IonicContact OD2-CZ 3.3Å; D8-R37 IonicContact OD2-NE 3.36Å; D8-R37 PolarHBondContact OD2-NE 3.05Å; D8-R37 IonicContact OD2-NH2 3.81Å; D8-R37 PolarHBondContact OD2-NH2 3.22Å; D8-R39 IonicContact OD1-CZ 3.62Å; D8-R39 IonicContact OD1-NE 3.84Å; D8-R39 PolarHBondContact OD1-NE 3.3Å; D8-R39 IonicContact OD1-NH2 2.76Å; D8-R39 PolarHBondContact OD1-NH2 2.84Å; D8-P105 HydrophobicContact CB-CB 4.44Å |
| 9 | N | 94.7 | Very high | 95.1 | Very high | 87 Ų | 87 | 64.5 Ų | 64.5 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 35.2 | -171.4 | -57.8 | -36.3 | 0 | 0 | 0 | 115 | S11 L12 W13 | N9-S11 PolarHBondContact O-N 3.15Å; N9-S11 VanDerWaalsContact O-N 3.16Å; N9-L12 HydrophobicContact CB-CB 4.32Å; N9-L12 PolarHBondContact O-N 2.83Å; N9-W13 PolarHBondContact O-N 3.35Å; N9-W13 VanDerWaalsContact O-N 3.16Å |
| 10 | A | 97.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 62.1 Ų | 62.1 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -51.9 | -35.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L7 L12 W13 K14 | L7-A10 HydrophobicContact CB-CB 4.33Å; L7-A10 HydrophobicContact CD2-CB 4.17Å; L7-A10 HydrophobicContact CG-CB 4.32Å; L7-A10 PolarHBondContact O-N 2.98Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 3.05Å; A10-W13 PolarHBondContact O-N 2.96Å; A10-K14 WeakPolarHBondContact O-CB 3.09Å; A10-K14 PolarHBondContact O-N 3.47Å |
| 11 | S | 97.9 | Very high | 95.4 | Very high | 88 Ų | 88 | 59.2 Ų | 59.2 | 62% | 0.615 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.7 | -33.7 | 177.2 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | N9 Q15 | N9-S11 PolarHBondContact O-N 3.15Å; N9-S11 VanDerWaalsContact O-N 3.16Å; S11-Q15 WeakPolarHBondContact O-CG 3.41Å; S11-Q15 PolarHBondContact O-N 3.21Å; S11-Q15 PolarHBondContact O-NE2 3.3Å |
| 12 | L | 98.1 | Very high | 97 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.5 | -43.7 | 174.5 | -178.8 | 62 | 0 | 0 | 0 | 110.4 | N9 A10 K14 Q15 F16 F33 P34 H182 | N9-L12 HydrophobicContact CB-CB 4.32Å; N9-L12 PolarHBondContact O-N 2.83Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 3.05Å; L12-K14 VanDerWaalsContact C-N 3.27Å; L12-K14 PolarHBondContact O-N 3.07Å; L12-Q15 WeakPolarHBondContact O-CB 3.23Å; L12-Q15 PolarHBondContact O-N 2.56Å; L12-F16 HydrophobicContact CD1-CD2 4.16Å; L12-F16 HydrophobicContact CD1-CE2 3.85Å; L12-F16 HydrophobicContact CG-CD2 4.28Å; L12-F16 HydrophobicContact CG-CE2 4.19Å; L12-F16 WeakPolarHBondContact O-CD2 3.27Å; L12-F16 PolarHBondContact O-N 2.95Å; L12-F33 HydrophobicContact CD2-CZ 4.29Å; L12-P34 HydrophobicContact CD2-CB 4.13Å; L12-P34 HydrophobicContact CD2-CG 4.11Å; L12-P34 HydrophobicContact CG-CB 4.43Å; L12-P34 HydrophobicContact CG-CG 3.98Å; L12-H182 HydrophobicContact CD1-CB 4.01Å |
| 13 | W | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.1 | -43.5 | 173.5 | -84.1 | 107.4 | 0 | 0 | 0 | 111.9 | L7 N9 A10 Q15 F16 S17 T21 M23 P34 L36 E161 T162 | L7-W13 HydrophobicContact CD2-CB 4.05Å; L7-W13 HydrophobicContact CD2-CG 3.98Å; N9-W13 PolarHBondContact O-N 3.35Å; N9-W13 VanDerWaalsContact O-N 3.16Å; A10-W13 PolarHBondContact O-N 2.96Å; W13-Q15 VanDerWaalsContact C-N 3.34Å; W13-Q15 PolarHBondContact O-N 3.2Å; W13-F16 PolarHBondContact O-N 3.46Å; W13-S17 WeakPolarHBondContact O-CB 3.35Å; W13-S17 PolarHBondContact O-N 3.39Å; W13-T21 HydrophobicContact CZ3-CG2 4.16Å; W13-M23 HydrophobicContact CH2-CE 3.61Å; W13-M23 HydrophobicContact CZ3-CE 3.88Å; W13-P34 HydrophobicContact CD2-CB 4.08Å; W13-P34 HydrophobicContact CD2-CG 4.22Å; W13-P34 HydrophobicContact CE3-CG 4.39Å; W13-P34 WeakPolarHBondContact CH2-O 3.48Å; W13-P34 HydrophobicContact CZ2-CB 3.95Å; W13-P34 WeakPolarHBondContact CZ2-O 3.14Å; W13-L36 HydrophobicContact CH2-CD2 3.76Å; W13-L36 HydrophobicContact CH2-CG 4.49Å; W13-L36 HydrophobicContact CZ2-CD2 3.44Å; W13-L36 VanDerWaalsContact CZ2-CD2 3.44Å; W13-L36 HydrophobicContact CZ2-CG 4.12Å; W13-E161 HydrophobicContact CB-CG 4Å; W13-T162 HydrophobicContact CD2-CG2 3.82Å; W13-T162 HydrophobicContact CE3-CG2 4.03Å; W13-T162 HydrophobicContact CG-CG2 4.18Å; W13-T162 HydrophobicContact CZ2-CG2 4.36Å; W13-T162 HydrophobicContact CZ3-CG2 4.36Å |
| 14 | K | 98.3 | Very high | 97.8 | Very high | 108 Ų | 108 | 42.9 Ų | 42.9 | 47% | 0.47 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.2 | -43.8 | 176.7 | -169.5 | 66.8 | 173.4 | 84.8 | 0 | 112.6 | A10 L12 F16 S17 D18 | A10-K14 WeakPolarHBondContact O-CB 3.09Å; A10-K14 PolarHBondContact O-N 3.47Å; L12-K14 VanDerWaalsContact C-N 3.27Å; L12-K14 PolarHBondContact O-N 3.07Å; K14-F16 VanDerWaalsContact C-N 3.34Å; K14-F16 PolarHBondContact O-N 2.76Å; K14-S17 WeakPolarHBondContact O-CB 3.42Å; K14-S17 PolarHBondContact O-N 3.22Å; K14-D18 IonicContact NZ-OD1 2.85Å; K14-D18 PolarHBondContact NZ-OD1 3.34Å; K14-D18 IonicContact NZ-OD2 3.43Å; K14-D18 PolarHBondContact O-N 2.82Å |
| 15 | Q | 98.3 | Very high | 97.8 | Very high | 79 Ų | 79 | 40 Ų | 40 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -40.1 | 177.3 | -71.6 | 172 | 65 | 0 | 0 | 112.9 | S11 L12 W13 Y19 L178 | S11-Q15 WeakPolarHBondContact O-CG 3.41Å; S11-Q15 PolarHBondContact O-N 3.21Å; S11-Q15 PolarHBondContact O-NE2 3.3Å; L12-Q15 WeakPolarHBondContact O-CB 3.23Å; L12-Q15 PolarHBondContact O-N 2.56Å; W13-Q15 VanDerWaalsContact C-N 3.34Å; W13-Q15 PolarHBondContact O-N 3.2Å; Q15-Y19 WeakPolarHBondContact O-CD2 3.39Å; Q15-L178 WeakPolarHBondContact O-CD1 3.41Å |
| 16 | F | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.2 | -42.9 | 174.2 | -83.1 | -88.7 | 0 | 0 | 0 | 111.7 | L12 W13 K14 D18 Y19 G20 T21 F33 P34 I175 L178 K179 | L12-F16 HydrophobicContact CD1-CD2 4.16Å; L12-F16 HydrophobicContact CD1-CE2 3.85Å; L12-F16 HydrophobicContact CG-CD2 4.28Å; L12-F16 HydrophobicContact CG-CE2 4.19Å; L12-F16 WeakPolarHBondContact O-CD2 3.27Å; L12-F16 PolarHBondContact O-N 2.95Å; W13-F16 PolarHBondContact O-N 3.46Å; K14-F16 VanDerWaalsContact C-N 3.34Å; K14-F16 PolarHBondContact O-N 2.76Å; F16-D18 VanDerWaalsContact C-N 3.28Å; F16-D18 PolarHBondContact O-N 3.42Å; F16-Y19 PolarHBondContact O-N 3.1Å; F16-Y19 VanDerWaalsContact O-N 3.14Å; F16-G20 PolarHBondContact O-N 2.97Å; F16-T21 HydrophobicContact CB-CG2 4.18Å; F16-T21 WeakPolarHBondContact CB-OG1 3.24Å; F16-T21 PolarHBondContact O-N 3.32Å; F16-F33 HydrophobicContact CE2-CD1 4.42Å; F16-F33 AromaticContact CE2-CE1 3.88Å; F16-F33 HydrophobicContact CE2-CE1 3.88Å; F16-F33 AromaticContact CZ-CD1 3.97Å; F16-F33 HydrophobicContact CZ-CD1 3.97Å; F16-F33 AromaticContact CZ-CE1 3.67Å; F16-F33 HydrophobicContact CZ-CE1 3.67Å; F16-P34 HydrophobicContact CD2-CG 3.43Å; F16-P34 VanDerWaalsContact CD2-CG 3.43Å; F16-P34 HydrophobicContact CE2-CG 3.65Å; F16-P34 HydrophobicContact CG-CG 4.08Å; F16-P34 HydrophobicContact CZ-CG 4.45Å; F16-I175 HydrophobicContact CD1-CD1 4.02Å; F16-I175 HydrophobicContact CD1-CG2 4.43Å; F16-I175 HydrophobicContact CE1-CG2 4.39Å; F16-L178 HydrophobicContact CD1-CB 4.25Å; F16-L178 HydrophobicContact CD1-CD1 4.25Å; F16-L178 HydrophobicContact CE1-CB 3.61Å; F16-L178 HydrophobicContact CE1-CD1 4.44Å; F16-L178 HydrophobicContact CE2-CB 4.12Å; F16-L178 HydrophobicContact CG-CD1 4.31Å; F16-L178 HydrophobicContact CZ-CB 3.55Å; F16-K179 HydrophobicContact CE1-CD 3.67Å; F16-K179 HydrophobicContact CE1-CG 4.01Å; F16-K179 HydrophobicContact CZ-CD 4.05Å; F16-K179 HydrophobicContact CZ-CG 4.46Å |
| 17 | S | 98.2 | Very high | 97.6 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59 | -38.1 | 179.8 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | W13 K14 Y19 G20 T21 E161 | W13-S17 WeakPolarHBondContact O-CB 3.35Å; W13-S17 PolarHBondContact O-N 3.39Å; K14-S17 WeakPolarHBondContact O-CB 3.42Å; K14-S17 PolarHBondContact O-N 3.22Å; S17-Y19 PolarHBondContact O-N 3.42Å; S17-G20 PolarHBondContact O-N 2.86Å; S17-T21 PolarHBondContact N-OG1 2.9Å; S17-E161 WeakPolarHBondContact CB-O 3.44Å |
| 18 | D | 97.8 | Very high | 97.5 | Very high | 92 Ų | 92 | 49.4 Ų | 49.4 | 49% | 0.492 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.7 | 177.9 | -72.5 | -21.1 | 0 | 0 | 0 | 114 | K14 F16 | K14-D18 IonicContact NZ-OD1 2.85Å; K14-D18 PolarHBondContact NZ-OD1 3.34Å; K14-D18 IonicContact NZ-OD2 3.43Å; K14-D18 PolarHBondContact O-N 2.82Å; F16-D18 VanDerWaalsContact C-N 3.28Å; F16-D18 PolarHBondContact O-N 3.42Å |
| 19 | Y | 97.5 | Very high | 97.4 | Very high | 102 Ų | 102 | 49.1 Ų | 49.1 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 7.6 | 178.5 | -60.9 | -58.7 | 0 | 0 | 0 | 113.9 | Q15 F16 S17 N172 K174 L178 | Q15-Y19 WeakPolarHBondContact O-CD2 3.39Å; F16-Y19 PolarHBondContact O-N 3.1Å; F16-Y19 VanDerWaalsContact O-N 3.14Å; S17-Y19 PolarHBondContact O-N 3.42Å; Y19-N172 PolarHBondContact O-ND2 2.89Å; Y19-K174 HydrophobicContact CD1-CB 4.25Å; Y19-K174 HydrophobicContact CD1-CD 3.47Å; Y19-K174 VanDerWaalsContact CD1-CD 3.47Å; Y19-K174 HydrophobicContact CD2-CB 4.21Å; Y19-K174 HydrophobicContact CE1-CD 3.39Å; Y19-K174 HydrophobicContact CG-CB 4.04Å; Y19-K174 HydrophobicContact CG-CD 4.12Å; Y19-L178 HydrophobicContact CD2-CD1 3.7Å; Y19-L178 HydrophobicContact CE2-CD1 4.15Å |
| 20 | G | 97.6 | Very high | 97.5 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | trans | 71.4 | 93.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F16 S17 E22 I175 | F16-G20 PolarHBondContact O-N 2.97Å; S17-G20 PolarHBondContact O-N 2.86Å; G20-E22 PolarHBondContact O-N 3Å; G20-I175 WeakPolarHBondContact O-CD1 3.44Å | ||
| 21 | T | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | trans | -51.4 | 133.9 | 180 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | W13 F16 S17 M23 A163 F164 Y165 | W13-T21 HydrophobicContact CZ3-CG2 4.16Å; F16-T21 HydrophobicContact CB-CG2 4.18Å; F16-T21 WeakPolarHBondContact CB-OG1 3.24Å; F16-T21 PolarHBondContact O-N 3.32Å; S17-T21 PolarHBondContact N-OG1 2.9Å; T21-M23 HydrophobicContact CG2-CE 3.74Å; T21-A163 WeakPolarHBondContact CB-O 3.27Å; T21-F164 HydrophobicContact CG2-CB 3.74Å; T21-F164 CarbonylContact O-C 3.56Å; T21-F164 WeakPolarHBondContact O-CA 3.5Å; T21-F164 WeakPolarHBondContact O-CB 3.35Å; T21-Y165 PolarHBondContact O-N 3.12Å | ||
| 22 | E | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136.5 | 174.2 | -57.1 | 176.9 | -174.2 | 0 | 0 | 111 | G20 W70 Y165 V167 Y170 Q171 N172 I175 K179 | G20-E22 PolarHBondContact O-N 3Å; E22-W70 HydrophobicContact CG-CZ2 3.99Å; E22-Y165 WeakPolarHBondContact CA-O 3.06Å; E22-V167 HydrophobicContact CB-CG2 4.07Å; E22-Y170 HydrophobicContact CB-CD1 3.99Å; E22-Y170 HydrophobicContact CB-CE1 4.28Å; E22-Y170 WeakPolarHBondContact OE2-CA 3.36Å; E22-Y170 WeakPolarHBondContact OE2-CD1 3.43Å; E22-Q171 WeakPolarHBondContact OE1-CB 3.32Å; E22-Q171 PolarHBondContact OE2-N 3.38Å; E22-N172 WeakPolarHBondContact OE1-CB 3.23Å; E22-N172 PolarHBondContact OE1-N 3.32Å; E22-I175 HydrophobicContact CB-CG2 4Å; E22-I175 HydrophobicContact CG-CG1 4.25Å; E22-I175 HydrophobicContact CG-CG2 4.26Å; E22-K179 WeakPolarHBondContact O-CE 3.44Å; E22-K179 PolarHBondContact O-NZ 3.39Å |
| 23 | M | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.7 | 174.2 | -61.6 | -69.6 | 179 | 0 | 0 | 110.1 | W13 T21 V25 M32 F33 L113 F164 Y165 A166 V167 | W13-M23 HydrophobicContact CH2-CE 3.61Å; W13-M23 HydrophobicContact CZ3-CE 3.88Å; T21-M23 HydrophobicContact CG2-CE 3.74Å; M23-V25 PolarHBondContact O-N 3.31Å; M23-M32 HydrophobicContact CE-CB 4.31Å; M23-M32 HydrophobicContact CE-CE 3.81Å; M23-M32 HydrophobicContact CG-CE 4.06Å; M23-M32 HydrophobicContact SD-CB 4Å; M23-M32 HydrophobicContact SD-CE 4.17Å; M23-M32 HydrophobicContact SD-CG 4.31Å; M23-F33 WeakPolarHBondContact CE-O 3.35Å; M23-F33 VanDerWaalsContact SD-O 3.33Å; M23-L113 HydrophobicContact CB-CD1 3.62Å; M23-L113 HydrophobicContact CG-CD1 4.28Å; M23-F164 HydrophobicContact CB-CD2 3.43Å; M23-F164 VanDerWaalsContact CB-CD2 3.43Å; M23-F164 HydrophobicContact CB-CE2 3.64Å; M23-F164 HydrophobicContact CB-CG 4.19Å; M23-F164 HydrophobicContact CG-CB 3.92Å; M23-F164 HydrophobicContact CG-CD1 4.11Å; M23-F164 HydrophobicContact CG-CD2 3.25Å; M23-F164 HydrophobicContact CG-CE2 3.74Å; M23-F164 HydrophobicContact CG-CG 3.47Å; M23-F164 VanDerWaalsContact CG-CG 3.47Å; M23-F164 HydrophobicContact CG-CZ 4.35Å; M23-Y165 PolarHBondContact N-O 2.79Å; M23-A166 WeakPolarHBondContact O-CA 3.26Å; M23-V167 PolarHBondContact O-N 3.46Å |
| 24 | I | 97.9 | Very high | 97.4 | Very high | 25 Ų | 25 | 49 Ų | 49 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.7 | 177.9 | -57 | -54.1 | 0 | 0 | 0 | 109.8 | T26 R30 V167 Y170 | I24-T26 HydrophobicContact CG2-CG2 3.73Å; I24-R30 HydrophobicContact CB-CG 4.25Å; I24-R30 WeakPolarHBondContact O-CB 3.48Å; I24-V167 CarbonylContact C-O 3.5Å; I24-V167 WeakPolarHBondContact CA-O 3.36Å; I24-V167 HydrophobicContact CD1-CG2 3.69Å; I24-Y170 HydrophobicContact CD1-CD1 3.68Å; I24-Y170 HydrophobicContact CD1-CD2 4Å; I24-Y170 HydrophobicContact CD1-CE1 3.66Å; I24-Y170 HydrophobicContact CD1-CE2 3.99Å; I24-Y170 HydrophobicContact CD1-CG 3.85Å; I24-Y170 HydrophobicContact CG1-CD1 4.34Å; I24-Y170 HydrophobicContact CG1-CD2 4.42Å; I24-Y170 HydrophobicContact CG1-CE1 3.81Å; I24-Y170 HydrophobicContact CG1-CE2 3.92Å |
| 25 | V | 96.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | trans | -103.3 | 135 | 165.7 | -65.1 | 0 | 0 | 0 | 0 | 109.7 | M23 L113 N115 L126 A166 V167 T168 | M23-V25 PolarHBondContact O-N 3.31Å; V25-L113 HydrophobicContact CG1-CB 3.93Å; V25-N115 HydrophobicContact CB-CB 4.16Å; V25-N115 HydrophobicContact CG2-CB 3.94Å; V25-L126 HydrophobicContact CG1-CB 4.16Å; V25-L126 HydrophobicContact CG1-CD1 4.3Å; V25-A166 HydrophobicContact CG1-CB 4Å; V25-V167 WeakPolarHBondContact CG2-O 3.41Å; V25-V167 PolarHBondContact N-O 3.15Å; V25-T168 HydrophobicContact CG2-CG2 4.11Å | ||
| 26 | T | 96.2 | Very high | 97.4 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 25% | 0.252 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -133.7 | 164.7 | 178.8 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | I24 T28 G29 R30 T114 N115 | I24-T26 HydrophobicContact CG2-CG2 3.73Å; T26-T28 VanDerWaalsContact C-N 3.28Å; T26-T28 PolarHBondContact O-N 3.1Å; T26-G29 PolarHBondContact O-N 3.34Å; T26-G29 VanDerWaalsContact OG1-C 3.28Å; T26-G29 PolarHBondContact OG1-N 3.04Å; T26-G29 PolarHBondContact OG1-O 2.92Å; T26-R30 HydrophobicContact CG2-CB 4.2Å; T26-T114 WeakPolarHBondContact O-CA 3.23Å; T26-T114 WeakPolarHBondContact O-CB 3.22Å; T26-T114 PolarHBondContact O-OG1 3.4Å; T26-N115 PolarHBondContact O-N 2.87Å; T26-N115 PolarHBondContact O-OD1 3.31Å |
| 27 | K | 95.3 | Very high | 97.4 | Very high | 156 Ų | 156 | 45.6 Ų | 45.6 | 68% | 0.678 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -34.9 | 178.1 | -172.4 | 177.3 | 178.9 | -179.9 | 0 | 113.1 | T114 N115 N116 | K27-T114 PolarHBondContact O-OG1 3.25Å; K27-N115 WeakPolarHBondContact CA-OD1 3.23Å; K27-N115 PolarHBondContact N-OD1 2.94Å; K27-N116 HydrophobicContact CG-CB 4.32Å |
| 28 | T | 95.4 | Very high | 97.4 | Very high | 112 Ų | 112 | 43.8 Ų | 43.8 | 69% | 0.687 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 0.6 | -175.5 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | T26 H123 | T26-T28 VanDerWaalsContact C-N 3.28Å; T26-T28 PolarHBondContact O-N 3.1Å; T28-H123 PolarHBondContact O-CE1 3.18Å; T28-H123 VanDerWaalsContact O-CE1 3.31Å |
| 29 | G | 95.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 12% | 0.124 | 21% | 0.207 | C | C | . | . | trans | 86.9 | 140.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T26 L113 | T26-G29 PolarHBondContact O-N 3.34Å; T26-G29 VanDerWaalsContact OG1-C 3.28Å; T26-G29 PolarHBondContact OG1-N 3.04Å; T26-G29 PolarHBondContact OG1-O 2.92Å; G29-L113 CarbonylContact C-O 3.59Å; G29-L113 VanDerWaalsContact CA-O 3.26Å; G29-L113 WeakPolarHBondContact CA-O 3.27Å | ||
| 30 | R | 96.7 | Very high | 97.4 | Very high | 117 Ų | 117 | 39.6 Ų | 39.6 | 44% | 0.442 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 131.4 | 175.5 | -175.4 | 66.1 | 172.8 | 147 | -0.4 | 110.9 | I24 T26 K112 L113 | I24-R30 HydrophobicContact CB-CG 4.25Å; I24-R30 WeakPolarHBondContact O-CB 3.48Å; T26-R30 HydrophobicContact CG2-CB 4.2Å; R30-K112 CarbonylContact O-C 3.53Å; R30-K112 WeakPolarHBondContact O-CA 3.5Å; R30-L113 PolarHBondContact N-O 2.94Å; R30-L113 PolarHBondContact O-N 2.79Å |
| 31 | R | 97.2 | Very high | 97.5 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 31% | 0.313 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 141.6 | 176.4 | -69.2 | 175.1 | 176.8 | 162.7 | 3 | 111.1 | H109 L111 K112 D206 | R31-H109 VanDerWaalsContact CD-O 3.22Å; R31-H109 WeakPolarHBondContact CD-O 3.14Å; R31-H109 WeakPolarHBondContact CG-O 3.44Å; R31-L111 WeakPolarHBondContact CA-O 3.46Å; R31-K112 HydrophobicContact CG-CG 3.89Å; R31-D206 IonicContact CZ-OD2 3.95Å; R31-D206 IonicContact NH1-OD2 3.77Å; R31-D206 IonicContact NH2-OD2 3.57Å; R31-D206 PolarHBondContact NH2-OD2 3.36Å |
| 32 | M | 97.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | trans | -69.5 | 147.8 | 176.7 | -62.8 | -177.6 | 78.7 | 0 | 0 | 112.2 | M23 L36 L55 L111 L113 F164 | M23-M32 HydrophobicContact CE-CB 4.31Å; M23-M32 HydrophobicContact CE-CE 3.81Å; M23-M32 HydrophobicContact CG-CE 4.06Å; M23-M32 HydrophobicContact SD-CB 4Å; M23-M32 HydrophobicContact SD-CE 4.17Å; M23-M32 HydrophobicContact SD-CG 4.31Å; M32-L36 HydrophobicContact CE-CD1 4.18Å; M32-L36 HydrophobicContact CE-CG 4.43Å; M32-L36 HydrophobicContact SD-CD1 3.82Å; M32-L36 HydrophobicContact SD-CG 4.31Å; M32-L55 HydrophobicContact SD-CD1 4.46Å; M32-L111 HydrophobicContact CG-CD2 4.06Å; M32-L111 HydrophobicContact SD-CD2 3.71Å; M32-L113 HydrophobicContact CG-CD1 3.84Å; M32-L113 HydrophobicContact CG-CD2 4.09Å; M32-L113 HydrophobicContact CG-CG 3.86Å; M32-L113 HydrophobicContact SD-CD1 4.44Å; M32-L113 HydrophobicContact SD-CD2 4.12Å; M32-L113 HydrophobicContact SD-CG 4.5Å; M32-F164 HydrophobicContact CE-CD1 3.94Å; M32-F164 HydrophobicContact CE-CE1 3.55Å; M32-F164 HydrophobicContact CE-CZ 4.04Å | ||
| 33 | F | 97.8 | Very high | 97.3 | Very high | 25 Ų | 25 | 43.9 Ų | 43.9 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -145.3 | 131.7 | 166.5 | -175.1 | -88.9 | 0 | 0 | 0 | 110.4 | L12 F16 M23 K179 H182 N183 | L12-F33 HydrophobicContact CD2-CZ 4.29Å; F16-F33 HydrophobicContact CE2-CD1 4.42Å; F16-F33 AromaticContact CE2-CE1 3.88Å; F16-F33 HydrophobicContact CE2-CE1 3.88Å; F16-F33 AromaticContact CZ-CD1 3.97Å; F16-F33 HydrophobicContact CZ-CD1 3.97Å; F16-F33 AromaticContact CZ-CE1 3.67Å; F16-F33 HydrophobicContact CZ-CE1 3.67Å; M23-F33 WeakPolarHBondContact CE-O 3.35Å; M23-F33 VanDerWaalsContact SD-O 3.33Å; F33-K179 HydrophobicContact CD1-CD 3.8Å; F33-K179 PolarHBondContact O-NZ 3.12Å; F33-H182 HydrophobicContact CE1-CB 3.92Å; F33-H182 HydrophobicContact CZ-CB 3.78Å; F33-H182 VanDerWaalsContact CZ-O 3.32Å; F33-H182 WeakPolarHBondContact CZ-O 3.41Å; F33-N183 HydrophobicContact CD1-CB 3.82Å; F33-N183 HydrophobicContact CD2-CB 4.03Å; F33-N183 HydrophobicContact CE1-CB 3.77Å; F33-N183 HydrophobicContact CE2-CB 4.01Å; F33-N183 HydrophobicContact CG-CB 3.95Å; F33-N183 WeakPolarHBondContact CG-ND2 3.33Å; F33-N183 HydrophobicContact CZ-CB 3.88Å |
| 34 | P | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | S | Bend | cis | -56.5 | 154.1 | -6.8 | -21.6 | 33.6 | 0 | 0 | 0 | 111.7 | L12 W13 F16 | L12-P34 HydrophobicContact CD2-CB 4.13Å; L12-P34 HydrophobicContact CD2-CG 4.11Å; L12-P34 HydrophobicContact CG-CB 4.43Å; L12-P34 HydrophobicContact CG-CG 3.98Å; W13-P34 HydrophobicContact CD2-CB 4.08Å; W13-P34 HydrophobicContact CD2-CG 4.22Å; W13-P34 HydrophobicContact CE3-CG 4.39Å; W13-P34 WeakPolarHBondContact CH2-O 3.48Å; W13-P34 HydrophobicContact CZ2-CB 3.95Å; W13-P34 WeakPolarHBondContact CZ2-O 3.14Å; F16-P34 HydrophobicContact CD2-CG 3.43Å; F16-P34 VanDerWaalsContact CD2-CG 3.43Å; F16-P34 HydrophobicContact CE2-CG 3.65Å; F16-P34 HydrophobicContact CG-CG 4.08Å; F16-P34 HydrophobicContact CZ-CG 4.45Å |
| 35 | T | 98 | Very high | 97.1 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 22% | 0.221 | 24% | 0.235 | C | C | . | . | trans | -77.3 | 137.2 | 179.6 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | R37 H109 | T35-R37 HydrophobicContact CG2-CG 4.11Å; T35-R37 PolarHBondContact O-N 3.17Å; T35-H109 VanDerWaalsContact CG2-CA 3.45Å; T35-H109 HydrophobicContact CG2-CB 3.79Å | ||
| 36 | L | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -66.5 | 114.9 | 171.4 | -60.7 | 169.3 | 0 | 0 | 0 | 109.4 | W13 M32 Y38 V53 F108 P134 T162 | W13-L36 HydrophobicContact CH2-CD2 3.76Å; W13-L36 HydrophobicContact CH2-CG 4.49Å; W13-L36 HydrophobicContact CZ2-CD2 3.44Å; W13-L36 VanDerWaalsContact CZ2-CD2 3.44Å; W13-L36 HydrophobicContact CZ2-CG 4.12Å; M32-L36 HydrophobicContact CE-CD1 4.18Å; M32-L36 HydrophobicContact CE-CG 4.43Å; M32-L36 HydrophobicContact SD-CD1 3.82Å; M32-L36 HydrophobicContact SD-CG 4.31Å; L36-Y38 HydrophobicContact CB-CE2 3.86Å; L36-Y38 WeakPolarHBondContact CD2-OH 3.5Å; L36-V53 HydrophobicContact CD1-CG1 3.99Å; L36-F108 HydrophobicContact CB-CB 4.19Å; L36-F108 HydrophobicContact CB-CD2 4.28Å; L36-F108 PolarHBondContact O-N 3.16Å; L36-P134 HydrophobicContact CD1-CB 3.73Å; L36-P134 HydrophobicContact CD1-CG 3.91Å; L36-P134 HydrophobicContact CD2-CB 3.92Å; L36-P134 HydrophobicContact CD2-CG 3.69Å; L36-P134 HydrophobicContact CG-CG 4.44Å; L36-T162 HydrophobicContact CD2-CG2 4.17Å | ||
| 37 | R | 98.2 | Very high | 96.8 | Very high | 78 Ų | 78 | 51.9 Ų | 51.9 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.1 | -178.6 | -69 | 173.9 | 62.3 | 93.9 | 0.6 | 108.6 | D8 T35 L106 S107 | D8-R37 HydrophobicContact CB-CB 3.71Å; D8-R37 WeakPolarHBondContact CB-O 3.2Å; D8-R37 PolarHBondContact N-O 3.42Å; D8-R37 IonicContact OD2-CZ 3.3Å; D8-R37 IonicContact OD2-NE 3.36Å; D8-R37 PolarHBondContact OD2-NE 3.05Å; D8-R37 IonicContact OD2-NH2 3.81Å; D8-R37 PolarHBondContact OD2-NH2 3.22Å; T35-R37 HydrophobicContact CG2-CG 4.11Å; T35-R37 PolarHBondContact O-N 3.17Å; R37-L106 VanDerWaalsContact CA-O 3.26Å; R37-L106 WeakPolarHBondContact CA-O 3.17Å; R37-S107 WeakPolarHBondContact CG-OG 2.96Å |
| 38 | Y | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.2 | -174.2 | -54.4 | -83.4 | 0 | 0 | 0 | 110.5 | I5 D6 L7 L36 V53 P105 L106 F108 L136 F159 | I5-Y38 HydrophobicContact CG2-CD1 4.27Å; D6-Y38 CarbonylContact O-C 3.53Å; D6-Y38 VanDerWaalsContact O-CA 3.29Å; D6-Y38 WeakPolarHBondContact O-CA 3.42Å; L7-Y38 HydrophobicContact CD1-CD1 4.16Å; L7-Y38 HydrophobicContact CD1-CE1 3.82Å; L36-Y38 HydrophobicContact CB-CE2 3.86Å; L36-Y38 WeakPolarHBondContact CD2-OH 3.5Å; Y38-V53 HydrophobicContact CE2-CG2 4.31Å; Y38-P105 CarbonylContact O-C 3.57Å; Y38-P105 VanDerWaalsContact O-CA 3.23Å; Y38-P105 WeakPolarHBondContact O-CA 3.49Å; Y38-L106 HydrophobicContact CD2-CD1 3.8Å; Y38-L106 HydrophobicContact CG-CD1 4.46Å; Y38-L106 PolarHBondContact N-O 3.07Å; Y38-L106 PolarHBondContact O-N 3.27Å; Y38-F108 HydrophobicContact CD2-CD2 4.08Å; Y38-F108 AromaticContact CD2-CE2 3.86Å; Y38-F108 HydrophobicContact CD2-CE2 3.86Å; Y38-F108 AromaticContact CE2-CD2 3.87Å; Y38-F108 HydrophobicContact CE2-CD2 3.87Å; Y38-F108 AromaticContact CE2-CE2 3.83Å; Y38-F108 HydrophobicContact CE2-CE2 3.83Å; Y38-L136 HydrophobicContact CD1-CD2 4.16Å; Y38-L136 HydrophobicContact CD2-CD1 3.84Å; Y38-L136 HydrophobicContact CD2-CD2 4.14Å; Y38-L136 HydrophobicContact CE2-CD1 3.87Å; Y38-L136 HydrophobicContact CG-CD1 4.45Å; Y38-L136 HydrophobicContact CG-CD2 3.91Å; Y38-F159 HydrophobicContact CD1-CD2 4.31Å; Y38-F159 AromaticContact CD1-CE2 3.71Å; Y38-F159 HydrophobicContact CD1-CE2 3.71Å; Y38-F159 HydrophobicContact CD1-CZ 4.43Å; Y38-F159 AromaticContact CE1-CD2 3.69Å; Y38-F159 HydrophobicContact CE1-CD2 3.69Å; Y38-F159 AromaticContact CE1-CE2 3.53Å; Y38-F159 HydrophobicContact CE1-CE2 3.53Å |
| 39 | R | 98.2 | Very high | 96.8 | Very high | 105 Ų | 105 | 40.6 Ų | 40.6 | 40% | 0.396 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.5 | 165 | -68.5 | 175.5 | -167.1 | -96.2 | -3 | 108 | I5 D6 D8 H41 P105 | I5-R39 CarbonylContact C-O 3.52Å; I5-R39 VanDerWaalsContact CA-O 3.3Å; I5-R39 WeakPolarHBondContact CA-O 3.13Å; D6-R39 HydrophobicContact CB-CB 4.43Å; D6-R39 PolarHBondContact N-O 3.18Å; D6-R39 PolarHBondContact O-N 3.32Å; D8-R39 IonicContact OD1-CZ 3.62Å; D8-R39 IonicContact OD1-NE 3.84Å; D8-R39 PolarHBondContact OD1-NE 3.3Å; D8-R39 IonicContact OD1-NH2 2.76Å; D8-R39 PolarHBondContact OD1-NH2 2.84Å; R39-H41 WeakPolarHBondContact CB-NE2 3.22Å; R39-P105 HydrophobicContact CG-CB 4.07Å; R39-P105 HydrophobicContact CG-CG 3.76Å; R39-P105 VanDerWaalsContact NH2-CG 3.27Å |
| 40 | V | 97.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.8 | 178.3 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | L3 I5 L43 I51 M102 L106 | L3-V40 HydrophobicContact CD1-CG1 3.78Å; I5-V40 HydrophobicContact CG1-CG1 4.31Å; I5-V40 HydrophobicContact CG1-CG2 4.37Å; I5-V40 HydrophobicContact CG2-CG2 4.45Å; V40-L43 HydrophobicContact CG1-CD1 3.71Å; V40-L43 HydrophobicContact CG1-CD2 4.22Å; V40-L43 HydrophobicContact CG1-CG 3.77Å; V40-I51 HydrophobicContact CG2-CD1 4.43Å; V40-M102 WeakPolarHBondContact O-CG 3.43Å; V40-L106 HydrophobicContact CG2-CD2 3.73Å |
| 41 | H | 97.7 | Very high | 96.8 | Very high | 73 Ų | 73 | 34.4 Ų | 34.4 | 34% | 0.338 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.7 | -178.2 | -57.7 | -75.3 | 0 | 0 | 0 | 110.6 | L3 T4 D6 R39 L43 | L3-H41 VanDerWaalsContact CA-O 3.32Å; L3-H41 WeakPolarHBondContact CA-O 3.46Å; L3-H41 WeakPolarHBondContact CD1-O 3.48Å; T4-H41 PolarHBondContact N-O 3.14Å; T4-H41 VanDerWaalsContact N-O 3.15Å; T4-H41 PolarHBondContact O-N 3.27Å; T4-H41 WeakPolarHBondContact OG1-CB 3.42Å; D6-H41 IonicContact OD2-CD2 3.8Å; D6-H41 IonicContact OD2-NE2 2.56Å; D6-H41 PolarHBondContact OD2-NE2 3.37Å; R39-H41 WeakPolarHBondContact CB-NE2 3.22Å; H41-L43 PolarHBondContact O-N 2.82Å |
| 42 | G | 97.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 27% | 0.268 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 77.1 | 14.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | M102 | G42-M102 PolarHBondContact N-SD 3.42Š|
| 43 | L | 96.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | trans | -69.4 | 153.6 | 167.1 | -62.4 | 177.3 | 0 | 0 | 0 | 110.8 | L3 V40 H41 P45 Y49 W101 M102 V138 V154 | L3-L43 HydrophobicContact CD1-CD2 3.63Å; L3-L43 HydrophobicContact CD1-CG 4.16Å; L3-L43 HydrophobicContact CD2-CD2 4.25Å; V40-L43 HydrophobicContact CG1-CD1 3.71Å; V40-L43 HydrophobicContact CG1-CD2 4.22Å; V40-L43 HydrophobicContact CG1-CG 3.77Å; H41-L43 PolarHBondContact O-N 2.82Å; L43-P45 VanDerWaalsContact O-CD 3.27Å; L43-P45 WeakPolarHBondContact O-CD 3.48Å; L43-Y49 HydrophobicContact CB-CE2 4.04Å; L43-Y49 HydrophobicContact CD1-CD2 4.3Å; L43-Y49 HydrophobicContact CD1-CE2 4.47Å; L43-Y49 HydrophobicContact CD1-CG 4.42Å; L43-Y49 HydrophobicContact CD2-CD1 4.07Å; L43-Y49 HydrophobicContact CD2-CE1 3.72Å; L43-Y49 HydrophobicContact CD2-CE2 4.42Å; L43-W101 HydrophobicContact CD1-CB 3.81Å; L43-W101 HydrophobicContact CD1-CG 4.35Å; L43-M102 HydrophobicContact CB-CE 4.08Å; L43-M102 HydrophobicContact CB-CG 4.26Å; L43-M102 HydrophobicContact CB-SD 3.96Å; L43-M102 HydrophobicContact CD1-CG 4.42Å; L43-M102 HydrophobicContact CG-CG 4.46Å; L43-M102 PolarHBondContact N-SD 2.98Å; L43-M102 WeakPolarHBondContact O-CE 3.46Å; L43-V138 HydrophobicContact CD2-CG1 4.14Å; L43-V154 HydrophobicContact CD2-CG2 4.47Å | ||
| 44 | D | 95.2 | Very high | 96.2 | Very high | 55 Ų | 55 | 29 Ų | 29 | 29% | 0.294 | 15% | 0.151 | S | C | . | . | trans | -64.6 | 118.2 | 167.2 | 178.8 | -8 | 0 | 0 | 0 | 108.5 | N46 G47 Y49 G98 R140 | D44-N46 PolarHBondContact O-N 3.1Å; D44-N46 VanDerWaalsContact O-N 3.07Å; D44-N46 PolarHBondContact OD1-N 3.38Å; D44-G47 PolarHBondContact O-N 3.22Å; D44-Y49 WeakPolarHBondContact CB-OH 3.39Å; D44-Y49 PolarHBondContact N-OH 2.83Å; D44-Y49 VanDerWaalsContact N-OH 3.1Å; D44-G98 WeakPolarHBondContact O-CA 3.18Å; D44-R140 IonicContact OD2-CZ 3.58Å; D44-R140 IonicContact OD2-NH1 3.89Å; D44-R140 IonicContact OD2-NH2 2.9Å; D44-R140 PolarHBondContact OD2-NH2 2.67Å | ||
| 45 | P | 96.3 | Very high | 96 | Very high | 56 Ų | 56 | 28.9 Ų | 28.9 | 36% | 0.364 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.6 | -178.8 | -25.6 | 35.3 | 0 | 0 | 0 | 114.1 | L43 R99 M102 | L43-P45 VanDerWaalsContact O-CD 3.27Å; L43-P45 WeakPolarHBondContact O-CD 3.48Å; P45-R99 HydrophobicContact CB-CB 4.14Å; P45-R99 WeakPolarHBondContact O-CB 3.46Å; P45-R99 PolarHBondContact O-N 3.47Å; P45-M102 HydrophobicContact CG-CE 4.13Å |
| 46 | N | 94.3 | Very high | 95.7 | Very high | 124 Ų | 124 | 28.5 Ų | 28.5 | 66% | 0.663 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -5.4 | -178.4 | -56.7 | -34 | 0 | 0 | 0 | 112.8 | D44 R99 | D44-N46 PolarHBondContact O-N 3.1Å; D44-N46 VanDerWaalsContact O-N 3.07Å; D44-N46 PolarHBondContact OD1-N 3.38Å; N46-R99 PolarHBondContact OD1-NH2 3.47Å |
| 47 | G | 93.5 | Very high | 95.4 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -76 | 148.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D44 Y49 S97 G98 | D44-G47 PolarHBondContact O-N 3.22Å; G47-Y49 VanDerWaalsContact C-CE2 3.44Å; G47-Y49 VanDerWaalsContact O-CD2 3.22Å; G47-Y49 WeakPolarHBondContact O-CD2 3.26Å; G47-Y49 VanDerWaalsContact O-CE2 3.23Å; G47-Y49 WeakPolarHBondContact O-CE2 3.25Å; G47-S97 CarbonylContact O-C 3.55Å; G47-S97 VanDerWaalsContact O-CA 3.23Å; G47-S97 WeakPolarHBondContact O-CA 3.44Å; G47-G98 PolarHBondContact O-N 2.75Å |
| 48 | T | 95 | Very high | 95.2 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 14% | 0.135 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.9 | 175.4 | -64.2 | 0 | 0 | 0 | 0 | 110 | P95 R140 L141 E143 | T48-P95 HydrophobicContact CG2-CB 3.77Å; T48-R140 CarbonylContact O-C 3.17Å; T48-R140 WeakPolarHBondContact O-CA 3.29Å; T48-L141 HydrophobicContact CG2-CB 4.38Å; T48-L141 HydrophobicContact CG2-CD1 4.37Å; T48-L141 PolarHBondContact O-N 2.87Å; T48-E143 VanDerWaalsContact CB-OE1 3.27Å; T48-E143 WeakPolarHBondContact CB-OE1 3.47Å; T48-E143 PolarHBondContact OG1-OE1 2.95Å |
| 49 | Y | 95.1 | Very high | 94.9 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 143.7 | -173.6 | -58.5 | -96.9 | 0 | 0 | 0 | 111.9 | L43 D44 G47 P95 A96 W101 V138 V139 R140 V154 | L43-Y49 HydrophobicContact CB-CE2 4.04Å; L43-Y49 HydrophobicContact CD1-CD2 4.3Å; L43-Y49 HydrophobicContact CD1-CE2 4.47Å; L43-Y49 HydrophobicContact CD1-CG 4.42Å; L43-Y49 HydrophobicContact CD2-CD1 4.07Å; L43-Y49 HydrophobicContact CD2-CE1 3.72Å; L43-Y49 HydrophobicContact CD2-CE2 4.42Å; D44-Y49 WeakPolarHBondContact CB-OH 3.39Å; D44-Y49 PolarHBondContact N-OH 2.83Å; D44-Y49 VanDerWaalsContact N-OH 3.1Å; G47-Y49 VanDerWaalsContact C-CE2 3.44Å; G47-Y49 VanDerWaalsContact O-CD2 3.22Å; G47-Y49 WeakPolarHBondContact O-CD2 3.26Å; G47-Y49 VanDerWaalsContact O-CE2 3.23Å; G47-Y49 WeakPolarHBondContact O-CE2 3.25Å; Y49-P95 WeakPolarHBondContact O-CA 3.46Å; Y49-A96 PolarHBondContact N-O 3.09Å; Y49-A96 PolarHBondContact O-N 2.99Å; Y49-W101 PolarHBondContact O-NE1 2.9Å; Y49-V138 HydrophobicContact CD1-CG1 4.04Å; Y49-V139 CarbonylContact C-O 3.49Å; Y49-V139 WeakPolarHBondContact CA-O 3.3Å; Y49-V139 WeakPolarHBondContact CB-O 3.33Å; Y49-R140 HydrophobicContact CD1-CB 3.77Å; Y49-R140 HydrophobicContact CD1-CG 4.16Å; Y49-R140 HydrophobicContact CE1-CB 3.53Å; Y49-R140 HydrophobicContact CE1-CG 3.72Å; Y49-V154 HydrophobicContact CD1-CG2 4.08Å; Y49-V154 HydrophobicContact CE1-CG1 4.44Å; Y49-V154 HydrophobicContact CE1-CG2 3.95Å |
| 50 | A | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | F52 V139 L141 L220 | A50-F52 HydrophobicContact CB-CE2 3.57Å; A50-F52 HydrophobicContact CB-CZ 3.67Å; A50-V139 PolarHBondContact N-O 2.9Å; A50-V139 PolarHBondContact O-N 3.38Å; A50-L141 HydrophobicContact CB-CD1 4.16Å; A50-L141 HydrophobicContact CB-CD2 4.33Å; A50-L141 HydrophobicContact CB-CG 4.37Å; A50-L220 HydrophobicContact CB-CD1 4.33Å; A50-L220 HydrophobicContact CB-CD2 3.97Å |
| 51 | I | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.6 | -178.1 | -58.5 | -172.4 | 0 | 0 | 0 | 109.3 | V40 H91 S94 W101 L106 F108 L136 T137 V138 | V40-I51 HydrophobicContact CG2-CD1 4.43Å; I51-H91 WeakPolarHBondContact O-CB 3.04Å; I51-H91 PolarHBondContact O-N 2.85Å; I51-S94 PolarHBondContact N-OG 3Å; I51-S94 PolarHBondContact O-OG 2.85Å; I51-W101 HydrophobicContact CB-CH2 4.16Å; I51-W101 HydrophobicContact CB-CZ2 4.13Å; I51-W101 HydrophobicContact CD1-CB 4.47Å; I51-W101 HydrophobicContact CD1-CD2 3.46Å; I51-W101 VanDerWaalsContact CD1-CD2 3.46Å; I51-W101 HydrophobicContact CD1-CE3 3.68Å; I51-W101 HydrophobicContact CD1-CG 3.84Å; I51-W101 HydrophobicContact CD1-CH2 4.36Å; I51-W101 HydrophobicContact CD1-CZ2 4.16Å; I51-W101 HydrophobicContact CD1-CZ3 4.14Å; I51-W101 HydrophobicContact CG1-CD2 4.11Å; I51-W101 HydrophobicContact CG1-CE3 4.47Å; I51-W101 HydrophobicContact CG1-CH2 4.31Å; I51-W101 HydrophobicContact CG1-CZ2 3.92Å; I51-L106 HydrophobicContact CD1-CD2 3.56Å; I51-L106 HydrophobicContact CG2-CD2 4.29Å; I51-F108 HydrophobicContact CG2-CZ 4.13Å; I51-L136 HydrophobicContact CG2-CD1 3.48Å; I51-L136 VanDerWaalsContact CG2-CD1 3.48Å; I51-L136 HydrophobicContact CG2-CG 4.23Å; I51-T137 CarbonylContact C-O 3.57Å; I51-T137 WeakPolarHBondContact CA-O 3.4Å; I51-V138 HydrophobicContact CD1-CG1 4.22Å; I51-V138 HydrophobicContact CD1-CG2 4.09Å; I51-V138 HydrophobicContact CG1-CB 4.41Å; I51-V138 HydrophobicContact CG1-CG1 4.04Å; I51-V138 HydrophobicContact CG1-CG2 4.11Å; I51-V138 HydrophobicContact CG2-CG2 4.32Å |
| 52 | F | 94.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 154.2 | -174.4 | -51.1 | -96 | 0 | 0 | 0 | 110.9 | A50 Y89 A90 L136 T137 V139 L220 F224 | A50-F52 HydrophobicContact CB-CE2 3.57Å; A50-F52 HydrophobicContact CB-CZ 3.67Å; F52-Y89 CarbonylContact C-O 3.51Å; F52-Y89 VanDerWaalsContact CA-O 3.27Å; F52-Y89 WeakPolarHBondContact CA-O 3.19Å; F52-A90 HydrophobicContact CD1-CB 3.72Å; F52-A90 HydrophobicContact CE1-CB 3.75Å; F52-L136 CarbonylContact O-C 3.5Å; F52-L136 WeakPolarHBondContact O-CA 3.48Å; F52-T137 PolarHBondContact N-O 3.26Å; F52-T137 PolarHBondContact O-N 3.3Å; F52-V139 HydrophobicContact CD2-CG2 4.46Å; F52-V139 HydrophobicContact CE2-CB 4.44Å; F52-V139 HydrophobicContact CE2-CG2 4.18Å; F52-L220 HydrophobicContact CE1-CB 3.62Å; F52-L220 HydrophobicContact CZ-CB 3.74Å; F52-F224 HydrophobicContact CD2-CD2 4.35Å; F52-F224 HydrophobicContact CE2-CD2 4.18Å; F52-F224 HydrophobicContact CZ-CB 4.38Å |
| 53 | V | 94.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 130.3 | 163.3 | 163.1 | 0 | 0 | 0 | 0 | 109 | L36 Y38 L55 Y89 F108 L111 P134 V135 L136 | L36-V53 HydrophobicContact CD1-CG1 3.99Å; Y38-V53 HydrophobicContact CE2-CG2 4.31Å; V53-L55 HydrophobicContact CG1-CD2 3.92Å; V53-Y89 PolarHBondContact N-O 2.81Å; V53-Y89 PolarHBondContact O-N 3.39Å; V53-F108 HydrophobicContact CB-CD1 4.27Å; V53-F108 HydrophobicContact CB-CE1 4.04Å; V53-F108 HydrophobicContact CB-CZ 4.21Å; V53-F108 HydrophobicContact CG2-CD1 4.02Å; V53-F108 HydrophobicContact CG2-CD2 3.78Å; V53-F108 HydrophobicContact CG2-CE1 3.7Å; V53-F108 HydrophobicContact CG2-CE2 3.43Å; V53-F108 VanDerWaalsContact CG2-CE2 3.43Å; V53-F108 HydrophobicContact CG2-CG 4.06Å; V53-F108 HydrophobicContact CG2-CZ 3.4Å; V53-F108 VanDerWaalsContact CG2-CZ 3.4Å; V53-L111 HydrophobicContact CB-CD1 4.25Å; V53-L111 HydrophobicContact CG1-CD1 3.94Å; V53-P134 HydrophobicContact CG1-CB 4.37Å; V53-V135 WeakPolarHBondContact CA-O 3.45Å; V53-L136 HydrophobicContact CG2-CD1 3.89Å |
| 54 | X | 92.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 150.3 | 163 | 0 | 0 | 0 | 0 | 0 | 109 | M56 L88 P134 V135 | A54-M56 HydrophobicContact CB-CG 4.35Å; A54-M56 HydrophobicContact CB-SD 4.06Å; A54-L88 HydrophobicContact CB-CD2 3.61Å; A54-P134 CarbonylContact O-C 3.52Å; A54-P134 WeakPolarHBondContact O-CA 3.37Å; A54-V135 HydrophobicContact CB-CB 4.48Å; A54-V135 PolarHBondContact N-O 2.88Å; A54-V135 PolarHBondContact O-N 3.01Å |
| 55 | L | 93.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 106 | 168.8 | -57.1 | -178.7 | 0 | 0 | 0 | 108.1 | M32 V53 C86 L113 I124 L126 P134 F164 | M32-L55 HydrophobicContact SD-CD1 4.46Å; V53-L55 HydrophobicContact CG1-CD2 3.92Å; L55-C86 PolarHBondContact O-SG 3.21Å; L55-C86 VanDerWaalsContact O-SG 3.4Å; L55-L113 HydrophobicContact CD1-CD2 3.29Å; L55-I124 HydrophobicContact CB-CG2 4.21Å; L55-I124 HydrophobicContact CD1-CB 4.22Å; L55-I124 HydrophobicContact CD1-CD1 3.81Å; L55-I124 HydrophobicContact CD1-CG2 3.87Å; L55-I124 HydrophobicContact CG-CD1 3.72Å; L55-I124 HydrophobicContact CG-CG2 4.17Å; L55-L126 HydrophobicContact CB-CD2 4.15Å; L55-L126 HydrophobicContact CD1-CD1 4.04Å; L55-L126 HydrophobicContact CD1-CD2 4.48Å; L55-P134 HydrophobicContact CD2-CB 3.74Å; L55-P134 HydrophobicContact CD2-CG 3.79Å; L55-F164 HydrophobicContact CD1-CE1 4.35Å; L55-F164 HydrophobicContact CD1-CZ 3.98Å; L55-F164 HydrophobicContact CD2-CE1 4.21Å |
| 56 | M | 91.1 | Very high | 94.9 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 14% | 0.138 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136 | -172.8 | -59.6 | -61.6 | -65.6 | 0 | 0 | 110 | X54 T58 C86 Y132 A133 V135 L234 | A54-M56 HydrophobicContact CB-CG 4.35Å; A54-M56 HydrophobicContact CB-SD 4.06Å; M56-T58 PolarHBondContact O-N 3.09Å; M56-C86 HydrophobicContact SD-CB 4.09Å; M56-Y132 CarbonylContact O-C 3.52Å; M56-Y132 VanDerWaalsContact O-CA 3.23Å; M56-Y132 WeakPolarHBondContact O-CA 3.08Å; M56-A133 PolarHBondContact N-O 2.99Å; M56-A133 PolarHBondContact O-N 3.38Å; M56-V135 HydrophobicContact CB-CG2 4.27Å; M56-V135 HydrophobicContact CG-CB 4.35Å; M56-V135 HydrophobicContact CG-CG2 3.64Å; M56-L234 HydrophobicContact CE-CD2 4.49Å |
| 57 | P | 92.7 | Very high | 95 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 22% | 0.221 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 136.8 | 167 | -19.8 | 28.9 | 0 | 0 | 0 | 110 | L81 H131 Y132 | P57-L81 HydrophobicContact CB-CD2 3.72Å; P57-L81 HydrophobicContact CG-CD2 3.97Å; P57-H131 WeakPolarHBondContact CA-O 3.02Å; P57-Y132 HydrophobicContact CB-CD1 4.45Å; P57-Y132 HydrophobicContact CB-CE1 4.32Å; P57-Y132 HydrophobicContact CG-CD1 4.23Å; P57-Y132 HydrophobicContact CG-CE1 3.87Å |
| 58 | T | 92.7 | Very high | 95 | Very high | 50 Ų | 50 | 42.5 Ų | 42.5 | 31% | 0.307 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -85.5 | -20 | 177.1 | 60 | 0 | 0 | 0 | 0 | 112.9 | M56 H131 A133 | M56-T58 PolarHBondContact O-N 3.09Å; T58-H131 WeakPolarHBondContact CG2-ND1 3.26Å; T58-H131 PolarHBondContact N-O 3.38Å; T58-H131 WeakPolarHBondContact OG1-CB 3.31Å; T58-H131 PolarHBondContact OG1-ND1 3.28Å; T58-H131 PolarHBondContact OG1-O 3.38Å; T58-A133 HydrophobicContact CG2-CB 3.74Å |
| 59 | D | 93.3 | Very high | 95.1 | Very high | 41 Ų | 41 | 49.7 Ų | 49.7 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -160.3 | -177.2 | -175.6 | 58.9 | 62.4 | 0 | 0 | 0 | 110.8 | W61 Y63 L81 | D59-W61 WeakPolarHBondContact OD1-CB 3.28Å; D59-W61 PolarHBondContact OD1-N 3.47Å; D59-Y63 VanDerWaalsContact CG-OH 3.27Å; D59-Y63 WeakPolarHBondContact OD1-CE2 3.49Å; D59-Y63 PolarHBondContact OD1-OH 3.46Å; D59-Y63 PolarHBondContact OD2-OH 3.5Å; D59-L81 WeakPolarHBondContact O-CD2 3.34Å |
| 60 | E | 93.5 | Very high | 95.2 | Very high | 108 Ų | 108 | 51 Ų | 51 | 51% | 0.505 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -101.8 | 25.3 | -176.6 | -52.7 | -174.3 | 154.2 | 0 | 0 | 113.3 | R75 A76 L81 | E60-R75 IonicContact OE2-NH1 3.46Å; E60-R75 PolarHBondContact OE2-NH1 2.85Å; E60-A76 WeakPolarHBondContact O-CB 3.42Å; E60-A76 PolarHBondContact O-N 3.04Å; E60-L81 HydrophobicContact CB-CD1 3.87Å; E60-L81 HydrophobicContact CG-CD1 3.79Å |
| 61 | W | 96.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 52.6 Ų | 52.6 | 35% | 0.352 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144.8 | -171.8 | -54.7 | 115.4 | 0 | 0 | 0 | 113.1 | D59 Y63 V72 R75 H130 | D59-W61 WeakPolarHBondContact OD1-CB 3.28Å; D59-W61 PolarHBondContact OD1-N 3.47Å; W61-Y63 HydrophobicContact CB-CD2 4.34Å; W61-Y63 HydrophobicContact CB-CE2 3.75Å; W61-V72 HydrophobicContact CB-CG1 4.2Å; W61-V72 HydrophobicContact CB-CG2 4.18Å; W61-V72 HydrophobicContact CD2-CG1 4.05Å; W61-V72 HydrophobicContact CD2-CG2 4.47Å; W61-V72 HydrophobicContact CE3-CG1 3.79Å; W61-V72 HydrophobicContact CG-CG1 4.22Å; W61-V72 HydrophobicContact CG-CG2 4.07Å; W61-R75 HydrophobicContact CZ3-CG 4.25Å; W61-H130 PolarHBondContact O-CD2 3.19Å |
| 62 | R | 97.4 | Very high | 95.5 | Very high | 93 Ų | 93 | 56.1 Ų | 56.1 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.4 | 162.1 | -176.1 | 174.2 | 179.7 | -81.7 | -2.1 | 108.5 | A73 G74 R75 D77 M129 | R62-A73 PolarHBondContact O-N 3.36Å; R62-G74 PolarHBondContact N-O 3.46Å; R62-G74 PolarHBondContact O-N 2.92Å; R62-R75 WeakPolarHBondContact CB-O 3.32Å; R62-D77 VanDerWaalsContact CD-OD1 3.31Å; R62-D77 WeakPolarHBondContact CD-OD1 3.48Å; R62-D77 IonicContact NE-OD1 2.67Å; R62-D77 IonicContact NE-OD2 3.35Å; R62-M129 HydrophobicContact CG-CB 4.22Å |
| 63 | Y | 98.4 | Very high | 95.6 | Very high | 27 Ų | 27 | 58 Ų | 58 | 11% | 0.106 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 167.1 | -174.5 | -67.9 | -94.9 | 0 | 0 | 0 | 112.8 | D59 W61 V71 V72 M129 H131 Y165 | D59-Y63 VanDerWaalsContact CG-OH 3.27Å; D59-Y63 WeakPolarHBondContact OD1-CE2 3.49Å; D59-Y63 PolarHBondContact OD1-OH 3.46Å; D59-Y63 PolarHBondContact OD2-OH 3.5Å; W61-Y63 HydrophobicContact CB-CD2 4.34Å; W61-Y63 HydrophobicContact CB-CE2 3.75Å; Y63-V71 CarbonylContact C-O 3.59Å; Y63-V71 VanDerWaalsContact CA-O 3.3Å; Y63-V71 WeakPolarHBondContact CA-O 3.22Å; Y63-V72 HydrophobicContact CD1-CG2 4.4Å; Y63-V72 HydrophobicContact CE1-CG2 3.94Å; Y63-M129 PolarHBondContact N-O 2.9Å; Y63-M129 WeakPolarHBondContact O-CB 3.35Å; Y63-H131 HydrophobicContact CD2-CB 4.49Å; Y63-H131 HydrophobicContact CE2-CB 4.01Å; Y63-Y165 AromaticContact CD1-CE1 3.96Å; Y63-Y165 HydrophobicContact CD1-CE1 3.96Å; Y63-Y165 HydrophobicContact CD2-CD1 4.34Å; Y63-Y165 AromaticContact CD2-CE1 3.87Å; Y63-Y165 HydrophobicContact CD2-CE1 3.87Å; Y63-Y165 HydrophobicContact CE1-CE1 4.29Å; Y63-Y165 HydrophobicContact CE2-CE1 4.19Å; Y63-Y165 HydrophobicContact CG-CD1 4.33Å; Y63-Y165 AromaticContact CG-CE1 3.75Å; Y63-Y165 HydrophobicContact CG-CE1 3.75Å |
| 64 | K | 98 | Very high | 95.7 | Very high | 108 Ų | 108 | 59.4 Ų | 59.4 | 47% | 0.47 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 150.5 | 162.2 | 65 | -176.1 | 178.4 | -178.7 | 0 | 109.1 | V71 A73 | K64-V71 HydrophobicContact CD-CG2 4.31Å; K64-V71 HydrophobicContact CG-CG2 3.56Å; K64-V71 PolarHBondContact N-O 2.87Å; K64-V71 PolarHBondContact O-N 3.07Å; K64-A73 HydrophobicContact CB-CB 4.12Å; K64-A73 HydrophobicContact CD-CB 4.11Å; K64-A73 HydrophobicContact CG-CB 3.99Å |
| 65 | F | 97.8 | Very high | 95.8 | Very high | 42 Ų | 42 | 66.5 Ų | 66.5 | 18% | 0.184 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 123.1 | 171.1 | -162.6 | -106.3 | 0 | 0 | 0 | 109 | G68 R69 W70 Q171 N172 | F65-G68 WeakPolarHBondContact CZ-O 3.29Å; F65-R69 WeakPolarHBondContact CA-O 2.99Å; F65-R69 VanDerWaalsContact CD2-C 3.45Å; F65-R69 WeakPolarHBondContact CD2-O 3.48Å; F65-W70 HydrophobicContact CB-CD2 4.43Å; F65-W70 HydrophobicContact CB-CE3 4.32Å; F65-W70 HydrophobicContact CB-CH2 4.43Å; F65-W70 HydrophobicContact CB-CZ2 4.47Å; F65-W70 HydrophobicContact CB-CZ3 4.36Å; F65-W70 AromaticContact CD2-CD1 3.76Å; F65-W70 AromaticContact CD2-CD2 3.85Å; F65-W70 HydrophobicContact CD2-CD2 3.85Å; F65-W70 AromaticContact CD2-CE2 3.75Å; F65-W70 AromaticContact CD2-CG 3.88Å; F65-W70 HydrophobicContact CD2-CG 3.88Å; F65-W70 HydrophobicContact CD2-CZ2 4.37Å; F65-W70 AromaticContact CD2-NE1 3.66Å; F65-W70 AromaticContact CE2-CD1 3.96Å; F65-W70 HydrophobicContact CE2-CG 4.45Å; F65-W70 AromaticContact CE2-NE1 3.97Å; F65-Q171 HydrophobicContact CB-CB 3.52Å; F65-Q171 HydrophobicContact CB-CG 4.06Å; F65-Q171 HydrophobicContact CD1-CB 3.96Å; F65-Q171 WeakPolarHBondContact CD1-O 3.3Å; F65-Q171 HydrophobicContact CG-CB 3.77Å; F65-N172 HydrophobicContact CE1-CB 3.99Å; F65-N172 HydrophobicContact CE2-CB 3.99Å; F65-N172 HydrophobicContact CZ-CB 3.59Å |
| 66 | S | 97.4 | Very high | 95.7 | Very high | 53 Ų | 53 | 67.4 Ų | 67.4 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 135.8 | 179 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | G68 R69 | S66-G68 VanDerWaalsContact C-N 3.28Å; S66-G68 PolarHBondContact O-N 2.88Å; S66-R69 PolarHBondContact N-O 3.37Å; S66-R69 WeakPolarHBondContact O-CG 3.38Å; S66-R69 PolarHBondContact O-N 2.88Å; S66-R69 VanDerWaalsContact O-O 3.09Å |
| 67 | S | 95.2 | Very high | 95.5 | Very high | 118 Ų | 118 | 68.8 Ų | 68.8 | 83% | 0.825 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 42.8 | 179.7 | -49.1 | 0 | 0 | 0 | 0 | 113 | R69 | S67-R69 VanDerWaalsContact C-N 3.31Å; S67-R69 PolarHBondContact O-N 2.89Å |
| 68 | G | 94.6 | Very high | 95.1 | Very high | 60 Ų | 60 | 73.2 Ų | 73.2 | 62% | 0.619 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 12.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F65 S66 | F65-G68 WeakPolarHBondContact CZ-O 3.29Å; S66-G68 VanDerWaalsContact C-N 3.28Å; S66-G68 PolarHBondContact O-N 2.88Å |
| 69 | R | 96.6 | Very high | 94.6 | Very high | 173 Ų | 173 | 72.7 Ų | 72.7 | 65% | 0.653 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.5 | 179.9 | 65.6 | -178.7 | -162.1 | -174.2 | 5.9 | 113 | F65 S66 S67 V71 | F65-R69 WeakPolarHBondContact CA-O 2.99Å; F65-R69 VanDerWaalsContact CD2-C 3.45Å; F65-R69 WeakPolarHBondContact CD2-O 3.48Å; S66-R69 PolarHBondContact N-O 3.37Å; S66-R69 WeakPolarHBondContact O-CG 3.38Å; S66-R69 PolarHBondContact O-N 2.88Å; S66-R69 VanDerWaalsContact O-O 3.09Å; S67-R69 VanDerWaalsContact C-N 3.31Å; S67-R69 PolarHBondContact O-N 2.89Å; R69-V71 HydrophobicContact CG-CG1 3.97Å |
| 70 | W | 98 | Very high | 93.9 | Very high | 34 Ų | 34 | 71 Ų | 71 | 13% | 0.129 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 129.5 | 169.7 | -72.9 | 101.5 | 0 | 0 | 0 | 110.4 | E22 F65 M129 Y165 V167 Q171 | E22-W70 HydrophobicContact CG-CZ2 3.99Å; F65-W70 HydrophobicContact CB-CD2 4.43Å; F65-W70 HydrophobicContact CB-CE3 4.32Å; F65-W70 HydrophobicContact CB-CH2 4.43Å; F65-W70 HydrophobicContact CB-CZ2 4.47Å; F65-W70 HydrophobicContact CB-CZ3 4.36Å; F65-W70 AromaticContact CD2-CD1 3.76Å; F65-W70 AromaticContact CD2-CD2 3.85Å; F65-W70 HydrophobicContact CD2-CD2 3.85Å; F65-W70 AromaticContact CD2-CE2 3.75Å; F65-W70 AromaticContact CD2-CG 3.88Å; F65-W70 HydrophobicContact CD2-CG 3.88Å; F65-W70 HydrophobicContact CD2-CZ2 4.37Å; F65-W70 AromaticContact CD2-NE1 3.66Å; F65-W70 AromaticContact CE2-CD1 3.96Å; F65-W70 HydrophobicContact CE2-CG 4.45Å; F65-W70 AromaticContact CE2-NE1 3.97Å; W70-M129 HydrophobicContact CH2-CE 3.96Å; W70-M129 HydrophobicContact CH2-SD 4.5Å; W70-M129 HydrophobicContact CZ3-CE 3.64Å; W70-Y165 HydrophobicContact CB-CE1 4.16Å; W70-Y165 HydrophobicContact CB-CE2 4.07Å; W70-Y165 AromaticContact CD1-CD2 3.59Å; W70-Y165 AromaticContact CD1-CE2 3.25Å; W70-Y165 AromaticContact CD1-CZ 3.8Å; W70-Y165 AromaticContact CD2-CD1 3.8Å; W70-Y165 HydrophobicContact CD2-CD1 3.8Å; W70-Y165 AromaticContact CD2-CD2 3.75Å; W70-Y165 HydrophobicContact CD2-CD2 3.75Å; W70-Y165 AromaticContact CD2-CE1 3.85Å; W70-Y165 HydrophobicContact CD2-CE1 3.85Å; W70-Y165 AromaticContact CD2-CE2 3.8Å; W70-Y165 HydrophobicContact CD2-CE2 3.8Å; W70-Y165 AromaticContact CD2-CG 3.74Å; W70-Y165 HydrophobicContact CD2-CG 3.74Å; W70-Y165 AromaticContact CD2-CZ 3.85Å; W70-Y165 AromaticContact CE2-CD2 3.41Å; W70-Y165 VanDerWaalsContact CE2-CD2 3.41Å; W70-Y165 AromaticContact CE2-CE2 3.87Å; W70-Y165 AromaticContact CE2-CG 3.51Å; W70-Y165 AromaticContact CE3-CD1 3.82Å; W70-Y165 HydrophobicContact CE3-CD1 3.82Å; W70-Y165 AromaticContact CE3-CE1 3.99Å; W70-Y165 HydrophobicContact CE3-CE1 3.99Å; W70-Y165 HydrophobicContact CE3-CG 4.11Å; W70-Y165 HydrophobicContact CG-CD1 4.33Å; W70-Y165 AromaticContact CG-CD2 3.88Å; W70-Y165 HydrophobicContact CG-CD2 3.88Å; W70-Y165 AromaticContact CG-CE1 3.95Å; W70-Y165 HydrophobicContact CG-CE1 3.95Å; W70-Y165 AromaticContact CG-CE2 3.44Å; W70-Y165 HydrophobicContact CG-CE2 3.44Å; W70-Y165 VanDerWaalsContact CG-CE2 3.44Å; W70-Y165 HydrophobicContact CG-CG 4.29Å; W70-Y165 AromaticContact CG-CZ 3.47Å; W70-Y165 VanDerWaalsContact CG-CZ 3.47Å; W70-Y165 HydrophobicContact CH2-CD1 4.3Å; W70-Y165 HydrophobicContact CH2-CG 4.02Å; W70-Y165 HydrophobicContact CZ2-CD1 4.33Å; W70-Y165 AromaticContact CZ2-CD2 3.97Å; W70-Y165 HydrophobicContact CZ2-CD2 3.97Å; W70-Y165 AromaticContact CZ2-CG 3.69Å; W70-Y165 HydrophobicContact CZ2-CG 3.69Å; W70-Y165 HydrophobicContact CZ3-CD1 4.04Å; W70-Y165 HydrophobicContact CZ3-CG 4.21Å; W70-Y165 AromaticContact NE1-CD2 3.3Å; W70-Y165 VanDerWaalsContact NE1-CD2 3.3Å; W70-Y165 AromaticContact NE1-CE2 3.53Å; W70-Y165 AromaticContact NE1-CG 3.93Å; W70-V167 HydrophobicContact CH2-CG1 3.56Å; W70-V167 HydrophobicContact CZ2-CG1 4.04Å; W70-Q171 HydrophobicContact CH2-CB 4.41Å; W70-Q171 HydrophobicContact CH2-CG 3.83Å; W70-Q171 HydrophobicContact CZ2-CB 4.24Å; W70-Q171 HydrophobicContact CZ2-CG 4.09Å |
| 71 | V | 97.8 | Very high | 93.1 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.4 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 110.4 | Y63 K64 R69 A73 | Y63-V71 CarbonylContact C-O 3.59Å; Y63-V71 VanDerWaalsContact CA-O 3.3Å; Y63-V71 WeakPolarHBondContact CA-O 3.22Å; K64-V71 HydrophobicContact CD-CG2 4.31Å; K64-V71 HydrophobicContact CG-CG2 3.56Å; K64-V71 PolarHBondContact N-O 2.87Å; K64-V71 PolarHBondContact O-N 3.07Å; R69-V71 HydrophobicContact CG-CG1 3.97Å; V71-A73 PolarHBondContact O-N 3.17Å |
| 72 | V | 98.1 | Very high | 91.9 | Very high | 75 Ų | 75 | 69.6 Ų | 69.6 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 128 | 173.4 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | W61 Y63 | W61-V72 HydrophobicContact CB-CG1 4.2Å; W61-V72 HydrophobicContact CB-CG2 4.18Å; W61-V72 HydrophobicContact CD2-CG1 4.05Å; W61-V72 HydrophobicContact CD2-CG2 4.47Å; W61-V72 HydrophobicContact CE3-CG1 3.79Å; W61-V72 HydrophobicContact CG-CG1 4.22Å; W61-V72 HydrophobicContact CG-CG2 4.07Å; Y63-V72 HydrophobicContact CD1-CG2 4.4Å; Y63-V72 HydrophobicContact CE1-CG2 3.94Å |
| 73 | A | 97.1 | Very high | 89.9 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -22.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R62 K64 V71 | R62-A73 PolarHBondContact O-N 3.36Å; K64-A73 HydrophobicContact CB-CB 4.12Å; K64-A73 HydrophobicContact CD-CB 4.11Å; K64-A73 HydrophobicContact CG-CB 3.99Å; V71-A73 PolarHBondContact O-N 3.17Å |
| 74 | G | 96.6 | Very high | 88 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165 | -169.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R62 | R62-G74 PolarHBondContact N-O 3.46Å; R62-G74 PolarHBondContact O-N 2.92Å |
| 75 | R | 95.8 | Very high | 86 | Confident | 152 Ų | 152 | 67.8 Ų | 67.8 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 152.8 | 171.9 | -72.2 | -69.3 | -175.8 | 168.3 | 3.4 | 111.1 | E60 W61 R62 | E60-R75 IonicContact OE2-NH1 3.46Å; E60-R75 PolarHBondContact OE2-NH1 2.85Å; W61-R75 HydrophobicContact CZ3-CG 4.25Å; R62-R75 WeakPolarHBondContact CB-O 3.32Å |
| 76 | A | 91.3 | Very high | 84.2 | Confident | 19 Ų | 19 | 66.8 Ų | 66.8 | 16% | 0.157 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 146.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E60 A80 L81 H130 | E60-A76 WeakPolarHBondContact O-CB 3.42Å; E60-A76 PolarHBondContact O-N 3.04Å; A76-A80 HydrophobicContact CB-CB 4.35Å; A76-L81 HydrophobicContact CB-CD1 4.12Å; A76-L81 HydrophobicContact CB-CD2 4.24Å; A76-L81 HydrophobicContact CB-CG 3.98Å; A76-H130 VanDerWaalsContact CA-NE2 3.32Å; A76-H130 WeakPolarHBondContact CA-NE2 3.44Å |
| 77 | D | 87.4 | Confident | 83 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 31% | 0.31 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 145.5 | 178.4 | -70.1 | -27.8 | 0 | 0 | 0 | 110.1 | R62 G79 A80 H130 | R62-D77 VanDerWaalsContact CD-OD1 3.31Å; R62-D77 WeakPolarHBondContact CD-OD1 3.48Å; R62-D77 IonicContact NE-OD1 2.67Å; R62-D77 IonicContact NE-OD2 3.35Å; D77-G79 PolarHBondContact O-N 3Å; D77-A80 HydrophobicContact CB-CB 4.43Å; D77-A80 WeakPolarHBondContact O-CB 3.4Å; D77-A80 PolarHBondContact O-N 2.85Å; D77-H130 PolarHBondContact N-NE2 3.42Å; D77-H130 IonicContact OD2-CE1 3.22Å; D77-H130 PolarHBondContact OD2-CE1 2.81Å |
| 78 | P | 84 | Confident | 82.6 | Confident | 126 Ų | 126 | 66.6 Ų | 66.6 | 82% | 0.818 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 128 | 174.7 | -26 | 34.3 | 0 | 0 | 0 | 111.2 | ||
| 79 | G | 82 | Confident | 82.4 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -17.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D77 L81 H82 | D77-G79 PolarHBondContact O-N 3Å; G79-L81 PolarHBondContact O-N 3.37Å; G79-H82 VanDerWaalsContact O-CB 3.25Å; G79-H82 WeakPolarHBondContact O-CB 3.19Å; G79-H82 PolarHBondContact O-N 3.31Å |
| 80 | A | 78.3 | Confident | 82.3 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A76 D77 H127 | A76-A80 HydrophobicContact CB-CB 4.35Å; D77-A80 HydrophobicContact CB-CB 4.43Å; D77-A80 WeakPolarHBondContact O-CB 3.4Å; D77-A80 PolarHBondContact O-N 2.85Å; A80-H127 VanDerWaalsContact CA-CD2 3.49Å; A80-H127 WeakPolarHBondContact CA-CD2 3.32Å; A80-H127 HydrophobicContact CB-CB 3.9Å |
| 81 | L | 76.5 | Confident | 82.1 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 39% | 0.393 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 4.5 | 176.8 | -55.4 | 179 | 0 | 0 | 0 | 113 | P57 D59 E60 A76 G79 P83 | P57-L81 HydrophobicContact CB-CD2 3.72Å; P57-L81 HydrophobicContact CG-CD2 3.97Å; D59-L81 WeakPolarHBondContact O-CD2 3.34Å; E60-L81 HydrophobicContact CB-CD1 3.87Å; E60-L81 HydrophobicContact CG-CD1 3.79Å; A76-L81 HydrophobicContact CB-CD1 4.12Å; A76-L81 HydrophobicContact CB-CD2 4.24Å; A76-L81 HydrophobicContact CB-CG 3.98Å; G79-L81 PolarHBondContact O-N 3.37Å; L81-P83 WeakPolarHBondContact O-CD 3.45Å |
| 82 | H | 71.6 | Confident | 81.9 | Confident | 97 Ų | 97 | 55.2 Ų | 55.2 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | trans | -67.2 | 127.3 | -176 | -167 | -96 | 0 | 0 | 0 | 110 | G79 T84 A85 | G79-H82 VanDerWaalsContact O-CB 3.25Å; G79-H82 WeakPolarHBondContact O-CB 3.19Å; G79-H82 PolarHBondContact O-N 3.31Å; H82-T84 PolarHBondContact CE1-OG1 3.12Å; H82-T84 PolarHBondContact ND1-N 3.44Å; H82-T84 PolarHBondContact ND1-OG1 2.96Å; H82-T84 PolarHBondContact O-N 3.37Å; H82-T84 VanDerWaalsContact O-N 3.16Å; H82-A85 HydrophobicContact CB-CB 4.21Å; H82-A85 WeakPolarHBondContact O-CB 3.2Å; H82-A85 PolarHBondContact O-N 2.95Å | ||
| 83 | P | 56.3 | Low | 81.8 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 40% | 0.403 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -61.4 | -30.1 | -175 | -23.3 | 31.6 | 0 | 0 | 0 | 114 | L81 A85 C86 L234 | L81-P83 WeakPolarHBondContact O-CD 3.45Å; P83-A85 VanDerWaalsContact C-N 3.3Å; P83-C86 PolarHBondContact O-N 3.18Å; P83-L234 HydrophobicContact CB-CD1 3.52Å; P83-L234 HydrophobicContact CB-CD2 3.83Å; P83-L234 HydrophobicContact CB-CG 4.16Å; P83-L234 HydrophobicContact CG-CD1 4.48Å |
| 84 | T | 58.2 | Low | 81.7 | Confident | 105 Ų | 105 | 54.5 Ų | 54.5 | 64% | 0.644 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -80.3 | -8.9 | 175.4 | 76 | 0 | 0 | 0 | 0 | 113.7 | H82 C86 | H82-T84 PolarHBondContact CE1-OG1 3.12Å; H82-T84 PolarHBondContact ND1-N 3.44Å; H82-T84 PolarHBondContact ND1-OG1 2.96Å; H82-T84 PolarHBondContact O-N 3.37Å; H82-T84 VanDerWaalsContact O-N 3.16Å; T84-C86 VanDerWaalsContact C-N 3.28Å |
| 85 | A | 55.6 | Low | 81.6 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -72.8 | -26.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | H82 P83 R87 | H82-A85 HydrophobicContact CB-CB 4.21Å; H82-A85 WeakPolarHBondContact O-CB 3.2Å; H82-A85 PolarHBondContact O-N 2.95Å; P83-A85 VanDerWaalsContact C-N 3.3Å; A85-R87 VanDerWaalsContact C-N 3.25Å; A85-R87 PolarHBondContact O-N 2.91Å |
| 86 | C | 60.4 | Low | 81.6 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 14% | 0.135 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -72.8 | 77.5 | 172.7 | -69.7 | 0 | 0 | 0 | 0 | 110.4 | L55 M56 P83 T84 L88 | L55-C86 PolarHBondContact O-SG 3.21Å; L55-C86 VanDerWaalsContact O-SG 3.4Å; M56-C86 HydrophobicContact SD-CB 4.09Å; P83-C86 PolarHBondContact O-N 3.18Å; T84-C86 VanDerWaalsContact C-N 3.28Å; C86-L88 PolarHBondContact O-N 3.04Å |
| 87 | R | 72.7 | Confident | 81.9 | Confident | 123 Ų | 123 | 50.3 Ų | 50.3 | 46% | 0.464 | 29% | 0.294 | S | S | . | . | trans | -64.8 | 128.9 | 171.5 | -65.8 | -155.4 | -173.1 | -88.6 | 9 | 109.7 | A85 | A85-R87 VanDerWaalsContact C-N 3.25Å; A85-R87 PolarHBondContact O-N 2.91Å | ||
| 88 | L | 84.9 | Confident | 82.3 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.236 | 28% | 0.279 | C | S | . | . | trans | -75.8 | 132.9 | 170.5 | -64.5 | 167.3 | 0 | 0 | 0 | 108.9 | X54 C86 F224 | A54-L88 HydrophobicContact CB-CD2 3.61Å; C86-L88 PolarHBondContact O-N 3.04Å; L88-F224 HydrophobicContact CD1-CB 4.46Å; L88-F224 HydrophobicContact CD1-CD1 3.15Å; L88-F224 HydrophobicContact CD1-CE1 3.47Å; L88-F224 VanDerWaalsContact CD1-CE1 3.47Å; L88-F224 HydrophobicContact CD1-CG 3.97Å; L88-F224 HydrophobicContact CD2-CE1 4.32Å | ||
| 89 | Y | 92 | Very high | 83 | Confident | 15 Ų | 15 | 49 Ų | 49 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 113.3 | 170.1 | -176.1 | -87.3 | 0 | 0 | 0 | 109.2 | F52 V53 F108 R110 L111 I213 | F52-Y89 CarbonylContact C-O 3.51Å; F52-Y89 VanDerWaalsContact CA-O 3.27Å; F52-Y89 WeakPolarHBondContact CA-O 3.19Å; V53-Y89 PolarHBondContact N-O 2.81Å; V53-Y89 PolarHBondContact O-N 3.39Å; Y89-F108 AromaticContact CD1-CD1 3.59Å; Y89-F108 HydrophobicContact CD1-CD1 3.59Å; Y89-F108 AromaticContact CD1-CE1 3.99Å; Y89-F108 HydrophobicContact CD1-CE1 3.99Å; Y89-F108 AromaticContact CE1-CD1 3.82Å; Y89-F108 HydrophobicContact CE1-CD1 3.82Å; Y89-F108 HydrophobicContact CE1-CE1 4.43Å; Y89-R110 WeakPolarHBondContact OH-CB 3.2Å; Y89-L111 HydrophobicContact CD1-CB 4.09Å; Y89-L111 HydrophobicContact CD1-CD1 4.03Å; Y89-L111 HydrophobicContact CD1-CG 4.18Å; Y89-L111 HydrophobicContact CD2-CB 4.35Å; Y89-L111 HydrophobicContact CD2-CG 4.16Å; Y89-L111 HydrophobicContact CE1-CB 4.06Å; Y89-L111 HydrophobicContact CE2-CB 4.34Å; Y89-L111 HydrophobicContact CG-CB 4.22Å; Y89-L111 HydrophobicContact CG-CD1 3.97Å; Y89-L111 HydrophobicContact CG-CG 3.92Å; Y89-I213 HydrophobicContact CE2-CG2 4.38Å |
| 90 | A | 92.8 | Very high | 83.7 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.033 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | F52 L220 | F52-A90 HydrophobicContact CD1-CB 3.72Å; F52-A90 HydrophobicContact CE1-CB 3.75Å; A90-L220 HydrophobicContact CB-CD1 4.11Å |
| 91 | H | 95.3 | Very high | 84.7 | Confident | 9 Ų | 9 | 52.2 Ų | 52.2 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | trans | -62 | 137.7 | 173.3 | -171.2 | -79.8 | 0 | 0 | 0 | 109.4 | I51 D93 S94 W101 S107 F108 | I51-H91 WeakPolarHBondContact O-CB 3.04Å; I51-H91 PolarHBondContact O-N 2.85Å; H91-D93 IonicContact CE1-OD2 2.87Å; H91-D93 PolarHBondContact CE1-OD2 3.02Å; H91-D93 VanDerWaalsContact CE1-OD2 3.3Å; H91-D93 PolarHBondContact ND1-N 3.05Å; H91-D93 IonicContact ND1-OD2 3.78Å; H91-D93 PolarHBondContact O-N 2.95Å; H91-D93 VanDerWaalsContact O-N 3.14Å; H91-S94 WeakPolarHBondContact O-CB 3.48Å; H91-S94 PolarHBondContact O-N 3.17Å; H91-S94 PolarHBondContact O-OG 3.28Å; H91-S94 VanDerWaalsContact O-OG 3.07Å; H91-W101 HydrophobicContact CB-CH2 3.75Å; H91-W101 HydrophobicContact CB-CZ3 4.33Å; H91-W101 AromaticContact CE1-CZ3 3.86Å; H91-W101 AromaticContact CG-CH2 3.62Å; H91-W101 AromaticContact CG-CZ3 3.8Å; H91-W101 AromaticContact ND1-CH2 3.35Å; H91-W101 VanDerWaalsContact ND1-CH2 3.35Å; H91-W101 WeakPolarHBondContact ND1-CH2 3.43Å; H91-W101 AromaticContact ND1-CZ3 3.5Å; H91-W101 WeakPolarHBondContact ND1-CZ3 3.47Å; H91-S107 PolarHBondContact NE2-N 3.01Å; H91-S107 VanDerWaalsContact NE2-N 3.18Å; H91-S107 PolarHBondContact NE2-O 3.45Å; H91-F108 HydrophobicContact CB-CE1 3.72Å; H91-F108 HydrophobicContact CB-CZ 3.95Å; H91-F108 AromaticContact CD2-CE1 3.93Å; H91-F108 AromaticContact CD2-CZ 3.92Å | ||
| 92 | P | 93.5 | Very high | 85.7 | Confident | 33 Ų | 33 | 51.5 Ų | 51.5 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -35.5 | -175.3 | -29.8 | 36.5 | 0 | 0 | 0 | 115 | S94 I213 | P92-S94 PolarHBondContact O-N 3.14Å; P92-I213 HydrophobicContact CB-CD1 3.69Å; P92-I213 HydrophobicContact CB-CG1 3.66Å; P92-I213 HydrophobicContact CG-CD1 3.44Å; P92-I213 VanDerWaalsContact CG-CD1 3.44Å; P92-I213 HydrophobicContact CG-CG1 3.84Å |
| 93 | D | 95 | Very high | 86.9 | Confident | 101 Ų | 101 | 54.6 Ų | 54.6 | 54% | 0.54 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -2.3 | 178.1 | -56.1 | -13 | 0 | 0 | 0 | 113.1 | H91 P95 A96 W101 | H91-D93 IonicContact CE1-OD2 2.87Å; H91-D93 PolarHBondContact CE1-OD2 3.02Å; H91-D93 VanDerWaalsContact CE1-OD2 3.3Å; H91-D93 PolarHBondContact ND1-N 3.05Å; H91-D93 IonicContact ND1-OD2 3.78Å; H91-D93 PolarHBondContact O-N 2.95Å; H91-D93 VanDerWaalsContact O-N 3.14Å; D93-P95 CarbonylContact O-C 3.46Å; D93-A96 WeakPolarHBondContact O-CB 3Å; D93-A96 PolarHBondContact O-N 3.41Å; D93-W101 HydrophobicContact CB-CH2 3.87Å; D93-W101 HydrophobicContact CB-CZ2 4.46Å; D93-W101 HydrophobicContact CB-CZ3 4.24Å |
| 94 | S | 95 | Very high | 88.8 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | trans | -76.2 | 137.5 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | I51 H91 P92 W101 | I51-S94 PolarHBondContact N-OG 3Å; I51-S94 PolarHBondContact O-OG 2.85Å; H91-S94 WeakPolarHBondContact O-CB 3.48Å; H91-S94 PolarHBondContact O-N 3.17Å; H91-S94 PolarHBondContact O-OG 3.28Å; H91-S94 VanDerWaalsContact O-OG 3.07Å; P92-S94 PolarHBondContact O-N 3.14Å; S94-W101 WeakPolarHBondContact OG-CZ2 3.46Å | ||
| 95 | P | 95 | Very high | 90.7 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 44% | 0.442 | 27% | 0.267 | S | S | . | . | S | Bend | cis | -80.3 | 147 | -9 | 33.9 | -34.7 | 0 | 0 | 0 | 112.4 | T48 Y49 D93 L141 | T48-P95 HydrophobicContact CG2-CB 3.77Å; Y49-P95 WeakPolarHBondContact O-CA 3.46Å; D93-P95 CarbonylContact O-C 3.46Å; P95-L141 HydrophobicContact CB-CD1 3.59Å; P95-L141 HydrophobicContact CG-CD1 4.31Å |
| 96 | A | 95.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 53 Ų | 53 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 161.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y49 D93 L100 W101 | Y49-A96 PolarHBondContact N-O 3.09Å; Y49-A96 PolarHBondContact O-N 2.99Å; D93-A96 WeakPolarHBondContact O-CB 3Å; D93-A96 PolarHBondContact O-N 3.41Å; A96-L100 HydrophobicContact CB-CB 4.08Å; A96-L100 HydrophobicContact CB-CD1 4.15Å; A96-W101 HydrophobicContact CB-CD2 4.4Å; A96-W101 HydrophobicContact CB-CZ2 4.14Å; A96-W101 PolarHBondContact O-NE1 2.74Å |
| 97 | S | 96.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 52.9 Ų | 52.9 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 152.6 | 174.3 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | G47 R99 L100 W101 | G47-S97 CarbonylContact O-C 3.55Å; G47-S97 VanDerWaalsContact O-CA 3.23Å; G47-S97 WeakPolarHBondContact O-CA 3.44Å; S97-R99 PolarHBondContact O-N 2.86Å; S97-R99 VanDerWaalsContact O-N 3.15Å; S97-L100 PolarHBondContact O-N 3.5Å; S97-L100 WeakPolarHBondContact OG-CG 3.32Å; S97-L100 PolarHBondContact OG-N 3.32Å; S97-W101 VanDerWaalsContact O-CD1 3.32Å; S97-W101 PolarHBondContact O-N 2.78Å; S97-W101 VanDerWaalsContact O-N 3.08Å |
| 98 | G | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.4 | -32.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | D44 G47 L100 W101 M102 | D44-G98 WeakPolarHBondContact O-CA 3.18Å; G47-G98 PolarHBondContact O-N 2.75Å; G98-L100 PolarHBondContact O-N 2.94Å; G98-W101 PolarHBondContact O-N 3.36Å; G98-M102 WeakPolarHBondContact O-CB 3.37Å; G98-M102 WeakPolarHBondContact O-CE 3.38Å; G98-M102 VanDerWaalsContact O-CG 3.24Å; G98-M102 WeakPolarHBondContact O-CG 3.3Å; G98-M102 PolarHBondContact O-N 3.44Å |
| 99 | R | 97.7 | Very high | 96.2 | Very high | 157 Ų | 157 | 49.6 Ų | 49.6 | 59% | 0.592 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -60.2 | -43.4 | 173.6 | -173.4 | -177.8 | -57.1 | -173.6 | 4.5 | 112.6 | P45 N46 S97 K103 | P45-R99 HydrophobicContact CB-CB 4.14Å; P45-R99 WeakPolarHBondContact O-CB 3.46Å; P45-R99 PolarHBondContact O-N 3.47Å; N46-R99 PolarHBondContact OD1-NH2 3.47Å; S97-R99 PolarHBondContact O-N 2.86Å; S97-R99 VanDerWaalsContact O-N 3.15Å; R99-K103 PolarHBondContact O-N 3.27Å |
| 100 | L | 97.7 | Very high | 96.4 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70 | -43.6 | 178.8 | -70.8 | 176.6 | 0 | 0 | 0 | 111.1 | A96 S97 G98 M102 K103 | A96-L100 HydrophobicContact CB-CB 4.08Å; A96-L100 HydrophobicContact CB-CD1 4.15Å; S97-L100 PolarHBondContact O-N 3.5Å; S97-L100 WeakPolarHBondContact OG-CG 3.32Å; S97-L100 PolarHBondContact OG-N 3.32Å; G98-L100 PolarHBondContact O-N 2.94Å; L100-M102 VanDerWaalsContact C-N 3.31Å; L100-M102 PolarHBondContact O-N 2.7Å; L100-K103 WeakPolarHBondContact O-CB 3.43Å; L100-K103 PolarHBondContact O-N 2.75Å |
| 101 | W | 97.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 50.3 Ų | 50.3 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -37 | 177.6 | -73.3 | 122.9 | 0 | 0 | 0 | 113.7 | L43 Y49 I51 H91 D93 S94 A96 S97 G98 L106 | L43-W101 HydrophobicContact CD1-CB 3.81Å; L43-W101 HydrophobicContact CD1-CG 4.35Å; Y49-W101 PolarHBondContact O-NE1 2.9Å; I51-W101 HydrophobicContact CB-CH2 4.16Å; I51-W101 HydrophobicContact CB-CZ2 4.13Å; I51-W101 HydrophobicContact CD1-CB 4.47Å; I51-W101 HydrophobicContact CD1-CD2 3.46Å; I51-W101 VanDerWaalsContact CD1-CD2 3.46Å; I51-W101 HydrophobicContact CD1-CE3 3.68Å; I51-W101 HydrophobicContact CD1-CG 3.84Å; I51-W101 HydrophobicContact CD1-CH2 4.36Å; I51-W101 HydrophobicContact CD1-CZ2 4.16Å; I51-W101 HydrophobicContact CD1-CZ3 4.14Å; I51-W101 HydrophobicContact CG1-CD2 4.11Å; I51-W101 HydrophobicContact CG1-CE3 4.47Å; I51-W101 HydrophobicContact CG1-CH2 4.31Å; I51-W101 HydrophobicContact CG1-CZ2 3.92Å; H91-W101 HydrophobicContact CB-CH2 3.75Å; H91-W101 HydrophobicContact CB-CZ3 4.33Å; H91-W101 AromaticContact CE1-CZ3 3.86Å; H91-W101 AromaticContact CG-CH2 3.62Å; H91-W101 AromaticContact CG-CZ3 3.8Å; H91-W101 AromaticContact ND1-CH2 3.35Å; H91-W101 VanDerWaalsContact ND1-CH2 3.35Å; H91-W101 WeakPolarHBondContact ND1-CH2 3.43Å; H91-W101 AromaticContact ND1-CZ3 3.5Å; H91-W101 WeakPolarHBondContact ND1-CZ3 3.47Å; D93-W101 HydrophobicContact CB-CH2 3.87Å; D93-W101 HydrophobicContact CB-CZ2 4.46Å; D93-W101 HydrophobicContact CB-CZ3 4.24Å; S94-W101 WeakPolarHBondContact OG-CZ2 3.46Å; A96-W101 HydrophobicContact CB-CD2 4.4Å; A96-W101 HydrophobicContact CB-CZ2 4.14Å; A96-W101 PolarHBondContact O-NE1 2.74Å; S97-W101 VanDerWaalsContact O-CD1 3.32Å; S97-W101 PolarHBondContact O-N 2.78Å; S97-W101 VanDerWaalsContact O-N 3.08Å; G98-W101 PolarHBondContact O-N 3.36Å; W101-L106 HydrophobicContact CE3-CB 4.01Å; W101-L106 HydrophobicContact CE3-CD2 3.66Å; W101-L106 HydrophobicContact CE3-CG 4.49Å; W101-L106 HydrophobicContact CZ3-CB 3.86Å; W101-L106 HydrophobicContact CZ3-CD2 3.92Å; W101-L106 HydrophobicContact CZ3-CG 4.46Å |
| 102 | M | 97.8 | Very high | 96.5 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 29% | 0.291 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.2 | 179.6 | -63.4 | -171.5 | -70.3 | 0 | 0 | 113.7 | V40 G42 L43 P45 G98 L100 | V40-M102 WeakPolarHBondContact O-CG 3.43Å; G42-M102 PolarHBondContact N-SD 3.42Å; L43-M102 HydrophobicContact CB-CE 4.08Å; L43-M102 HydrophobicContact CB-CG 4.26Å; L43-M102 HydrophobicContact CB-SD 3.96Å; L43-M102 HydrophobicContact CD1-CG 4.42Å; L43-M102 HydrophobicContact CG-CG 4.46Å; L43-M102 PolarHBondContact N-SD 2.98Å; L43-M102 WeakPolarHBondContact O-CE 3.46Å; P45-M102 HydrophobicContact CG-CE 4.13Å; G98-M102 WeakPolarHBondContact O-CB 3.37Å; G98-M102 WeakPolarHBondContact O-CE 3.38Å; G98-M102 VanDerWaalsContact O-CG 3.24Å; G98-M102 WeakPolarHBondContact O-CG 3.3Å; G98-M102 PolarHBondContact O-N 3.44Å; L100-M102 VanDerWaalsContact C-N 3.31Å; L100-M102 PolarHBondContact O-N 2.7Å |
| 103 | K | 97.7 | Very high | 96.6 | Very high | 162 Ų | 162 | 50.4 Ų | 50.4 | 70% | 0.704 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -37.8 | -175.2 | -175.1 | -179.9 | 177.5 | -175.8 | 0 | 112.7 | R99 L100 | R99-K103 PolarHBondContact O-N 3.27Å; L100-K103 WeakPolarHBondContact O-CB 3.43Å; L100-K103 PolarHBondContact O-N 2.75Å |
| 104 | Q | 96.7 | Very high | 96.6 | Very high | 131 Ų | 131 | 45.6 Ų | 45.6 | 61% | 0.612 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -158.4 | 166.9 | -176.1 | 67 | -174.8 | 19.8 | 0 | 0 | 109.8 | L106 | Q104-L106 PolarHBondContact O-N 3.41Š|
| 105 | P | 97.8 | Very high | 96.5 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 13% | 0.13 | 24% | 0.235 | C | C | . | . | trans | -57.2 | 130.5 | 174 | -22.2 | 32.1 | 0 | 0 | 0 | 111.8 | D8 Y38 R39 | D8-P105 HydrophobicContact CB-CB 4.44Å; Y38-P105 CarbonylContact O-C 3.57Å; Y38-P105 VanDerWaalsContact O-CA 3.23Å; Y38-P105 WeakPolarHBondContact O-CA 3.49Å; R39-P105 HydrophobicContact CG-CB 4.07Å; R39-P105 HydrophobicContact CG-CG 3.76Å; R39-P105 VanDerWaalsContact NH2-CG 3.27Å | ||
| 106 | L | 97.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 149.9 | 169.1 | 65.1 | 87.8 | 0 | 0 | 0 | 109.9 | R37 Y38 V40 I51 W101 Q104 F108 | R37-L106 VanDerWaalsContact CA-O 3.26Å; R37-L106 WeakPolarHBondContact CA-O 3.17Å; Y38-L106 HydrophobicContact CD2-CD1 3.8Å; Y38-L106 HydrophobicContact CG-CD1 4.46Å; Y38-L106 PolarHBondContact N-O 3.07Å; Y38-L106 PolarHBondContact O-N 3.27Å; V40-L106 HydrophobicContact CG2-CD2 3.73Å; I51-L106 HydrophobicContact CD1-CD2 3.56Å; I51-L106 HydrophobicContact CG2-CD2 4.29Å; W101-L106 HydrophobicContact CE3-CB 4.01Å; W101-L106 HydrophobicContact CE3-CD2 3.66Å; W101-L106 HydrophobicContact CE3-CG 4.49Å; W101-L106 HydrophobicContact CZ3-CB 3.86Å; W101-L106 HydrophobicContact CZ3-CD2 3.92Å; W101-L106 HydrophobicContact CZ3-CG 4.46Å; Q104-L106 PolarHBondContact O-N 3.41Å; L106-F108 HydrophobicContact CD1-CD2 3.94Å; L106-F108 HydrophobicContact CD1-CE2 3.3Å; L106-F108 HydrophobicContact CD1-CZ 4.05Å |
| 107 | S | 97.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 51 Ų | 51 | 12% | 0.119 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 118.8 | -169.5 | -175.6 | 0 | 0 | 0 | 0 | 113.2 | R37 H91 H109 | R37-S107 WeakPolarHBondContact CG-OG 2.96Å; H91-S107 PolarHBondContact NE2-N 3.01Å; H91-S107 VanDerWaalsContact NE2-N 3.18Å; H91-S107 PolarHBondContact NE2-O 3.45Å; S107-H109 PolarHBondContact O-N 3.32Å; S107-H109 PolarHBondContact O-ND1 3.3Å |
| 108 | F | 97.3 | Very high | 95.7 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 2% | 0.022 | 27% | 0.268 | C | S | . | . | trans | -83.5 | 38.8 | 174.5 | -65.1 | -87.7 | 0 | 0 | 0 | 112.8 | L36 Y38 I51 V53 Y89 H91 L106 R110 L111 L136 | L36-F108 HydrophobicContact CB-CB 4.19Å; L36-F108 HydrophobicContact CB-CD2 4.28Å; L36-F108 PolarHBondContact O-N 3.16Å; Y38-F108 HydrophobicContact CD2-CD2 4.08Å; Y38-F108 AromaticContact CD2-CE2 3.86Å; Y38-F108 HydrophobicContact CD2-CE2 3.86Å; Y38-F108 AromaticContact CE2-CD2 3.87Å; Y38-F108 HydrophobicContact CE2-CD2 3.87Å; Y38-F108 AromaticContact CE2-CE2 3.83Å; Y38-F108 HydrophobicContact CE2-CE2 3.83Å; I51-F108 HydrophobicContact CG2-CZ 4.13Å; V53-F108 HydrophobicContact CB-CD1 4.27Å; V53-F108 HydrophobicContact CB-CE1 4.04Å; V53-F108 HydrophobicContact CB-CZ 4.21Å; V53-F108 HydrophobicContact CG2-CD1 4.02Å; V53-F108 HydrophobicContact CG2-CD2 3.78Å; V53-F108 HydrophobicContact CG2-CE1 3.7Å; V53-F108 HydrophobicContact CG2-CE2 3.43Å; V53-F108 VanDerWaalsContact CG2-CE2 3.43Å; V53-F108 HydrophobicContact CG2-CG 4.06Å; V53-F108 HydrophobicContact CG2-CZ 3.4Å; V53-F108 VanDerWaalsContact CG2-CZ 3.4Å; Y89-F108 AromaticContact CD1-CD1 3.59Å; Y89-F108 HydrophobicContact CD1-CD1 3.59Å; Y89-F108 AromaticContact CD1-CE1 3.99Å; Y89-F108 HydrophobicContact CD1-CE1 3.99Å; Y89-F108 AromaticContact CE1-CD1 3.82Å; Y89-F108 HydrophobicContact CE1-CD1 3.82Å; Y89-F108 HydrophobicContact CE1-CE1 4.43Å; H91-F108 HydrophobicContact CB-CE1 3.72Å; H91-F108 HydrophobicContact CB-CZ 3.95Å; H91-F108 AromaticContact CD2-CE1 3.93Å; H91-F108 AromaticContact CD2-CZ 3.92Å; L106-F108 HydrophobicContact CD1-CD2 3.94Å; L106-F108 HydrophobicContact CD1-CE2 3.3Å; L106-F108 HydrophobicContact CD1-CZ 4.05Å; F108-R110 PolarHBondContact O-N 3.16Å; F108-R110 VanDerWaalsContact O-N 3.17Å; F108-L111 HydrophobicContact CB-CB 4.15Å; F108-L111 HydrophobicContact CB-CD1 4.34Å; F108-L111 HydrophobicContact CD1-CD1 4.45Å; F108-L111 WeakPolarHBondContact O-CB 3.49Å; F108-L111 PolarHBondContact O-N 2.85Å; F108-L111 VanDerWaalsContact O-N 3.14Å; F108-L136 HydrophobicContact CE2-CD1 3.66Å; F108-L136 HydrophobicContact CZ-CD1 3.86Å | ||
| 109 | H | 96.5 | Very high | 95.3 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.3 | -178.4 | 68.3 | -74.4 | 0 | 0 | 0 | 114.2 | R31 T35 S107 | R31-H109 VanDerWaalsContact CD-O 3.22Å; R31-H109 WeakPolarHBondContact CD-O 3.14Å; R31-H109 WeakPolarHBondContact CG-O 3.44Å; T35-H109 VanDerWaalsContact CG2-CA 3.45Å; T35-H109 HydrophobicContact CG2-CB 3.79Å; S107-H109 PolarHBondContact O-N 3.32Å; S107-H109 PolarHBondContact O-ND1 3.3Å |
| 110 | R | 95.3 | Very high | 94.9 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -11.5 | 178.1 | -61.5 | -179.6 | 69.6 | 165 | 9.5 | 113.6 | Y89 F108 K112 D206 A209 D210 I213 | Y89-R110 WeakPolarHBondContact OH-CB 3.2Å; F108-R110 PolarHBondContact O-N 3.16Å; F108-R110 VanDerWaalsContact O-N 3.17Å; R110-K112 PolarHBondContact O-N 3.15Å; R110-D206 PolarHBondContact NH2-O 3.03Å; R110-D206 VanDerWaalsContact NH2-O 3.1Å; R110-A209 VanDerWaalsContact NH1-CB 3.26Å; R110-A209 PolarHBondContact NH2-O 3.02Å; R110-D210 IonicContact CZ-OD1 2.86Å; R110-D210 IonicContact NE-OD1 3.6Å; R110-D210 PolarHBondContact NE-OD1 2.92Å; R110-D210 IonicContact NH2-OD1 3Å; R110-D210 PolarHBondContact NH2-OD1 3.24Å; R110-I213 VanDerWaalsContact NH1-CD1 3.26Å |
| 111 | L | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -62.4 | 124.4 | 176.1 | -173.2 | 165.3 | 0 | 0 | 0 | 109.1 | R31 M32 V53 Y89 F108 L113 I124 | R31-L111 WeakPolarHBondContact CA-O 3.46Å; M32-L111 HydrophobicContact CG-CD2 4.06Å; M32-L111 HydrophobicContact SD-CD2 3.71Å; V53-L111 HydrophobicContact CB-CD1 4.25Å; V53-L111 HydrophobicContact CG1-CD1 3.94Å; Y89-L111 HydrophobicContact CD1-CB 4.09Å; Y89-L111 HydrophobicContact CD1-CD1 4.03Å; Y89-L111 HydrophobicContact CD1-CG 4.18Å; Y89-L111 HydrophobicContact CD2-CB 4.35Å; Y89-L111 HydrophobicContact CD2-CG 4.16Å; Y89-L111 HydrophobicContact CE1-CB 4.06Å; Y89-L111 HydrophobicContact CE2-CB 4.34Å; Y89-L111 HydrophobicContact CG-CB 4.22Å; Y89-L111 HydrophobicContact CG-CD1 3.97Å; Y89-L111 HydrophobicContact CG-CG 3.92Å; F108-L111 HydrophobicContact CB-CB 4.15Å; F108-L111 HydrophobicContact CB-CD1 4.34Å; F108-L111 HydrophobicContact CD1-CD1 4.45Å; F108-L111 WeakPolarHBondContact O-CB 3.49Å; F108-L111 PolarHBondContact O-N 2.85Å; F108-L111 VanDerWaalsContact O-N 3.14Å; L111-L113 HydrophobicContact CD2-CD2 3.52Å; L111-L113 HydrophobicContact CD2-CG 4.41Å; L111-I124 HydrophobicContact CD1-CD1 3.82Å; L111-I124 HydrophobicContact CD2-CD1 4.09Å; L111-I124 HydrophobicContact CD2-CG1 4.46Å; L111-I124 HydrophobicContact CG-CD1 4.05Å | ||
| 112 | K | 96.1 | Very high | 94 | Very high | 42 Ų | 42 | 56.3 Ų | 56.3 | 18% | 0.183 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.7 | 179.1 | -72.7 | 164.6 | -179.4 | 165 | 0 | 110.1 | R30 R31 R110 H123 I124 D210 | R30-K112 CarbonylContact O-C 3.53Å; R30-K112 WeakPolarHBondContact O-CA 3.5Å; R31-K112 HydrophobicContact CG-CG 3.89Å; R110-K112 PolarHBondContact O-N 3.15Å; K112-H123 VanDerWaalsContact CB-CD2 3.41Å; K112-H123 WeakPolarHBondContact CB-CD2 3.49Å; K112-H123 WeakPolarHBondContact CD-NE2 3.42Å; K112-I124 PolarHBondContact O-N 2.83Å; K112-D210 IonicContact NZ-OD2 3.69Å; K112-D210 PolarHBondContact NZ-OD2 3.1Å |
| 113 | L | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.1 | 176.3 | -48.3 | -177.8 | 0 | 0 | 0 | 110.4 | M23 V25 G29 R30 M32 L55 L111 I124 L126 F164 | M23-L113 HydrophobicContact CB-CD1 3.62Å; M23-L113 HydrophobicContact CG-CD1 4.28Å; V25-L113 HydrophobicContact CG1-CB 3.93Å; G29-L113 CarbonylContact C-O 3.59Å; G29-L113 VanDerWaalsContact CA-O 3.26Å; G29-L113 WeakPolarHBondContact CA-O 3.27Å; R30-L113 PolarHBondContact N-O 2.94Å; R30-L113 PolarHBondContact O-N 2.79Å; M32-L113 HydrophobicContact CG-CD1 3.84Å; M32-L113 HydrophobicContact CG-CD2 4.09Å; M32-L113 HydrophobicContact CG-CG 3.86Å; M32-L113 HydrophobicContact SD-CD1 4.44Å; M32-L113 HydrophobicContact SD-CD2 4.12Å; M32-L113 HydrophobicContact SD-CG 4.5Å; L55-L113 HydrophobicContact CD1-CD2 3.29Å; L111-L113 HydrophobicContact CD2-CD2 3.52Å; L111-L113 HydrophobicContact CD2-CG 4.41Å; L113-I124 WeakPolarHBondContact CA-O 3.45Å; L113-I124 HydrophobicContact CD2-CB 4.27Å; L113-L126 HydrophobicContact CB-CD1 4.42Å; L113-L126 HydrophobicContact CD1-CD1 4.07Å; L113-L126 HydrophobicContact CD2-CD1 4.03Å; L113-L126 HydrophobicContact CG-CD1 4.42Å; L113-F164 HydrophobicContact CD1-CE2 4.11Å; L113-F164 HydrophobicContact CD1-CZ 4.2Å |
| 114 | T | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 154.1 | 179.2 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | T26 K27 N116 D119 H123 I124 V125 L126 | T26-T114 WeakPolarHBondContact O-CA 3.23Å; T26-T114 WeakPolarHBondContact O-CB 3.22Å; T26-T114 PolarHBondContact O-OG1 3.4Å; K27-T114 PolarHBondContact O-OG1 3.25Å; T114-N116 WeakPolarHBondContact OG1-CB 3.32Å; T114-N116 PolarHBondContact OG1-N 3.2Å; T114-D119 HydrophobicContact CG2-CB 3.78Å; T114-H123 HydrophobicContact CG2-CB 3.6Å; T114-I124 PolarHBondContact N-O 2.96Å; T114-V125 HydrophobicContact CG2-CB 4.25Å; T114-V125 HydrophobicContact CG2-CG2 3.73Å; T114-V125 WeakPolarHBondContact O-CA 3.46Å; T114-L126 PolarHBondContact O-N 2.6Å |
| 115 | N | 93.2 | Very high | 93.2 | Very high | 62 Ų | 62 | 40.7 Ų | 40.7 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | trans | -104.9 | 5.9 | 166.2 | 67.9 | -11.9 | 0 | 0 | 0 | 112.4 | V25 T26 K27 Q117 | V25-N115 HydrophobicContact CB-CB 4.16Å; V25-N115 HydrophobicContact CG2-CB 3.94Å; T26-N115 PolarHBondContact O-N 2.87Å; T26-N115 PolarHBondContact O-OD1 3.31Å; K27-N115 WeakPolarHBondContact CA-OD1 3.23Å; K27-N115 PolarHBondContact N-OD1 2.94Å; N115-Q117 PolarHBondContact O-N 2.92Å | ||
| 116 | N | 92.2 | Very high | 93 | Very high | 43 Ų | 43 | 40 Ų | 40 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | trans | -74.8 | 105.7 | 172.1 | -178.4 | 17.7 | 0 | 0 | 0 | 109.7 | K27 T114 M118 D119 V125 | K27-N116 HydrophobicContact CG-CB 4.32Å; T114-N116 WeakPolarHBondContact OG1-CB 3.32Å; T114-N116 PolarHBondContact OG1-N 3.2Å; N116-M118 PolarHBondContact O-N 2.87Å; N116-M118 VanDerWaalsContact O-N 3.16Å; N116-M118 PolarHBondContact OD1-N 3.49Å; N116-M118 VanDerWaalsContact OD1-N 3.14Å; N116-D119 HydrophobicContact CB-CB 4.38Å; N116-D119 WeakPolarHBondContact O-CB 3.43Å; N116-D119 PolarHBondContact O-N 2.93Å; N116-D119 VanDerWaalsContact O-N 3.11Å; N116-V125 WeakPolarHBondContact O-CG2 3.41Å | ||
| 117 | Q | 89 | Confident | 92.8 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 43% | 0.43 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.1 | 178.3 | -63 | -63.7 | -37.1 | 0 | 0 | 113.3 | N115 H127 | N115-Q117 PolarHBondContact O-N 2.92Å; Q117-H127 PolarHBondContact NE2-CD2 2.9Å; Q117-H127 PolarHBondContact NE2-NE2 3.04Å; Q117-H127 VanDerWaalsContact NE2-NE2 3.17Å |
| 118 | M | 89.3 | Confident | 92.7 | Very high | 161 Ų | 161 | 41.3 Ų | 41.3 | 79% | 0.793 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 26.7 | 178.6 | -49.7 | -60.8 | -91.1 | 0 | 0 | 111.4 | N116 D120 | N116-M118 PolarHBondContact O-N 2.87Å; N116-M118 VanDerWaalsContact O-N 3.16Å; N116-M118 PolarHBondContact OD1-N 3.49Å; N116-M118 VanDerWaalsContact OD1-N 3.14Å; M118-D120 PolarHBondContact O-N 2.83Å |
| 119 | D | 88.7 | Confident | 92.7 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | trans | -62 | 128.4 | 178.8 | -171.3 | 92.6 | 0 | 0 | 0 | 111.5 | T114 N116 L121 G122 H123 V125 | T114-D119 HydrophobicContact CG2-CB 3.78Å; N116-D119 HydrophobicContact CB-CB 4.38Å; N116-D119 WeakPolarHBondContact O-CB 3.43Å; N116-D119 PolarHBondContact O-N 2.93Å; N116-D119 VanDerWaalsContact O-N 3.11Å; D119-L121 PolarHBondContact OD2-N 2.61Å; D119-L121 VanDerWaalsContact OD2-N 3.12Å; D119-G122 PolarHBondContact OD2-N 2.91Å; D119-G122 VanDerWaalsContact OD2-N 3.17Å; D119-H123 IonicContact OD1-CE1 3.4Å; D119-H123 IonicContact OD1-CG 3.98Å; D119-H123 IonicContact OD1-ND1 2.87Å; D119-H123 PolarHBondContact OD1-ND1 3.39Å; D119-H123 WeakPolarHBondContact OD2-CB 3.33Å; D119-H123 IonicContact OD2-CG 3.86Å; D119-H123 PolarHBondContact OD2-N 2.85Å; D119-H123 IonicContact OD2-ND1 2.83Å; D119-V125 HydrophobicContact CB-CG2 3.81Å | ||
| 120 | D | 88.5 | Confident | 92.7 | Very high | 120 Ų | 120 | 38 Ų | 38 | 64% | 0.642 | 20% | 0.198 | S | C | * | . | trans | -117.9 | 7.8 | 179.2 | 62.9 | -17.3 | 0 | 0 | 0 | 112.2 | M118 Q214 | M118-D120 PolarHBondContact O-N 2.83Å; D120-Q214 PolarHBondContact O-NE2 3.26Å | ||
| 121 | L | 89.3 | Confident | 92.8 | Very high | 99 Ų | 99 | 38 Ų | 38 | 52% | 0.518 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -98.5 | 5.7 | 179.6 | -62.4 | 177.9 | 0 | 0 | 0 | 112.6 | D119 H123 | D119-L121 PolarHBondContact OD2-N 2.61Å; D119-L121 VanDerWaalsContact OD2-N 3.12Å; L121-H123 VanDerWaalsContact C-N 3.31Å; L121-H123 PolarHBondContact O-N 2.86Å |
| 122 | G | 87.1 | Confident | 92.8 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 27% | 0.268 | 20% | 0.201 | S | C | . | . | trans | 74 | 18.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | D119 | D119-G122 PolarHBondContact OD2-N 2.91Å; D119-G122 VanDerWaalsContact OD2-N 3.17Å | ||
| 123 | H | 91.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 7% | 0.065 | 19% | 0.194 | C | C | . | . | trans | -71.7 | 156.2 | 173.2 | -58.5 | 142.4 | 0 | 0 | 0 | 111.1 | T28 K112 T114 D119 L121 V125 | T28-H123 PolarHBondContact O-CE1 3.18Å; T28-H123 VanDerWaalsContact O-CE1 3.31Å; K112-H123 VanDerWaalsContact CB-CD2 3.41Å; K112-H123 WeakPolarHBondContact CB-CD2 3.49Å; K112-H123 WeakPolarHBondContact CD-NE2 3.42Å; T114-H123 HydrophobicContact CG2-CB 3.6Å; D119-H123 IonicContact OD1-CE1 3.4Å; D119-H123 IonicContact OD1-CG 3.98Å; D119-H123 IonicContact OD1-ND1 2.87Å; D119-H123 PolarHBondContact OD1-ND1 3.39Å; D119-H123 WeakPolarHBondContact OD2-CB 3.33Å; D119-H123 IonicContact OD2-CG 3.86Å; D119-H123 PolarHBondContact OD2-N 2.85Å; D119-H123 IonicContact OD2-ND1 2.83Å; L121-H123 VanDerWaalsContact C-N 3.31Å; L121-H123 PolarHBondContact O-N 2.86Å; H123-V125 PolarHBondContact O-N 3.12Å | ||
| 124 | I | 92.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 115.1 | 171 | -56.3 | -173.8 | 0 | 0 | 0 | 108.4 | L55 L111 K112 L113 T114 L126 | L55-I124 HydrophobicContact CB-CG2 4.21Å; L55-I124 HydrophobicContact CD1-CB 4.22Å; L55-I124 HydrophobicContact CD1-CD1 3.81Å; L55-I124 HydrophobicContact CD1-CG2 3.87Å; L55-I124 HydrophobicContact CG-CD1 3.72Å; L55-I124 HydrophobicContact CG-CG2 4.17Å; L111-I124 HydrophobicContact CD1-CD1 3.82Å; L111-I124 HydrophobicContact CD2-CD1 4.09Å; L111-I124 HydrophobicContact CD2-CG1 4.46Å; L111-I124 HydrophobicContact CG-CD1 4.05Å; K112-I124 PolarHBondContact O-N 2.83Å; L113-I124 WeakPolarHBondContact CA-O 3.45Å; L113-I124 HydrophobicContact CD2-CB 4.27Å; T114-I124 PolarHBondContact N-O 2.96Å; I124-L126 HydrophobicContact CG2-CD2 3.89Å; I124-L126 HydrophobicContact CG2-CG 4.22Å |
| 125 | V | 92.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125 | 178 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | T114 N116 D119 H123 | T114-V125 HydrophobicContact CG2-CB 4.25Å; T114-V125 HydrophobicContact CG2-CG2 3.73Å; T114-V125 WeakPolarHBondContact O-CA 3.46Å; N116-V125 WeakPolarHBondContact O-CG2 3.41Å; D119-V125 HydrophobicContact CB-CG2 3.81Å; H123-V125 PolarHBondContact O-N 3.12Å |
| 126 | L | 93.8 | Very high | 93 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -130.2 | 154.5 | 178.3 | -58.4 | 177.9 | 0 | 0 | 0 | 111 | V25 L55 L113 T114 I124 Y132 F164 A166 | V25-L126 HydrophobicContact CG1-CB 4.16Å; V25-L126 HydrophobicContact CG1-CD1 4.3Å; L55-L126 HydrophobicContact CB-CD2 4.15Å; L55-L126 HydrophobicContact CD1-CD1 4.04Å; L55-L126 HydrophobicContact CD1-CD2 4.48Å; L113-L126 HydrophobicContact CB-CD1 4.42Å; L113-L126 HydrophobicContact CD1-CD1 4.07Å; L113-L126 HydrophobicContact CD2-CD1 4.03Å; L113-L126 HydrophobicContact CG-CD1 4.42Å; T114-L126 PolarHBondContact O-N 2.6Å; I124-L126 HydrophobicContact CG2-CD2 3.89Å; I124-L126 HydrophobicContact CG2-CG 4.22Å; L126-Y132 HydrophobicContact CB-CE2 4.07Å; L126-Y132 HydrophobicContact CD1-CD2 4.26Å; L126-Y132 HydrophobicContact CD1-CE2 4.37Å; L126-Y132 HydrophobicContact CD2-CD1 3.85Å; L126-Y132 HydrophobicContact CD2-CD2 4.33Å; L126-Y132 HydrophobicContact CD2-CE1 3.66Å; L126-Y132 HydrophobicContact CD2-CE2 4.13Å; L126-Y132 HydrophobicContact CD2-CG 4.19Å; L126-Y132 HydrophobicContact CG-CE2 4.43Å; L126-F164 HydrophobicContact CD1-CE2 4.01Å; L126-F164 HydrophobicContact CD1-CZ 3.9Å; L126-A166 HydrophobicContact CB-CB 4.32Å; L126-A166 HydrophobicContact CD1-CB 4.2Å | ||
| 127 | H | 94 | Very high | 93.1 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 13% | 0.13 | 17% | 0.168 | C | C | . | . | trans | -87.6 | 135.1 | 167.3 | -73.5 | -112.7 | 0 | 0 | 0 | 109.6 | A80 Q117 Y132 | A80-H127 VanDerWaalsContact CA-CD2 3.49Å; A80-H127 WeakPolarHBondContact CA-CD2 3.32Å; A80-H127 HydrophobicContact CB-CB 3.9Å; Q117-H127 PolarHBondContact NE2-CD2 2.9Å; Q117-H127 PolarHBondContact NE2-NE2 3.04Å; Q117-H127 VanDerWaalsContact NE2-NE2 3.17Å; H127-Y132 PolarHBondContact N-OH 2.89Å; H127-Y132 VanDerWaalsContact N-OH 3.1Å | ||
| 128 | S | 95.7 | Very high | 93.4 | Very high | 25 Ų | 25 | 27.2 Ų | 27.2 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 153.9 | 173.7 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | H130 A166 V167 T168 | S128-H130 VanDerWaalsContact C-N 3.32Å; S128-H130 PolarHBondContact O-CE1 2.84Å; S128-H130 PolarHBondContact O-N 3.05Å; S128-H130 PolarHBondContact O-ND1 3.44Å; S128-A166 CarbonylContact C-O 3.57Å; S128-V167 WeakPolarHBondContact OG-CA 3.19Å; S128-T168 PolarHBondContact OG-N 3.15Å |
| 129 | M | 97 | Very high | 93.6 | Very high | 23 Ų | 23 | 19.7 Ų | 19.7 | 11% | 0.113 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 28.6 | 178.6 | -47.6 | -54.9 | -70.8 | 0 | 0 | 114.9 | R62 Y63 W70 A166 V167 | R62-M129 HydrophobicContact CG-CB 4.22Å; Y63-M129 PolarHBondContact N-O 2.9Å; Y63-M129 WeakPolarHBondContact O-CB 3.35Å; W70-M129 HydrophobicContact CH2-CE 3.96Å; W70-M129 HydrophobicContact CH2-SD 4.5Å; W70-M129 HydrophobicContact CZ3-CE 3.64Å; M129-A166 WeakPolarHBondContact CA-O 3.48Å; M129-A166 PolarHBondContact N-O 3.25Å; M129-V167 HydrophobicContact SD-CB 4.48Å; M129-V167 HydrophobicContact SD-CG1 4.02Å |
| 130 | H | 96.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 158 | 175 | -65.1 | 74 | 0 | 0 | 0 | 110.3 | W61 A76 D77 S128 Y132 Y165 A166 | W61-H130 PolarHBondContact O-CD2 3.19Å; A76-H130 VanDerWaalsContact CA-NE2 3.32Å; A76-H130 WeakPolarHBondContact CA-NE2 3.44Å; D77-H130 PolarHBondContact N-NE2 3.42Å; D77-H130 IonicContact OD2-CE1 3.22Å; D77-H130 PolarHBondContact OD2-CE1 2.81Å; S128-H130 VanDerWaalsContact C-N 3.32Å; S128-H130 PolarHBondContact O-CE1 2.84Å; S128-H130 PolarHBondContact O-N 3.05Å; S128-H130 PolarHBondContact O-ND1 3.44Å; H130-Y132 HydrophobicContact CB-CD2 4.39Å; H130-Y132 HydrophobicContact CB-CE2 3.57Å; H130-Y165 WeakPolarHBondContact O-CA 3.45Å; H130-A166 PolarHBondContact O-N 2.87Å |
| 131 | H | 96.5 | Very high | 93.9 | Very high | 36 Ų | 36 | 19.5 Ų | 19.5 | 17% | 0.167 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.6 | -178.2 | -167.1 | -113.2 | 0 | 0 | 0 | 110.8 | P57 T58 Y63 A163 F164 Y165 | P57-H131 WeakPolarHBondContact CA-O 3.02Å; T58-H131 WeakPolarHBondContact CG2-ND1 3.26Å; T58-H131 PolarHBondContact N-O 3.38Å; T58-H131 WeakPolarHBondContact OG1-CB 3.31Å; T58-H131 PolarHBondContact OG1-ND1 3.28Å; T58-H131 PolarHBondContact OG1-O 3.38Å; Y63-H131 HydrophobicContact CD2-CB 4.49Å; Y63-H131 HydrophobicContact CE2-CB 4.01Å; H131-A163 VanDerWaalsContact CE1-CB 3.45Å; H131-A163 WeakPolarHBondContact CE1-CB 3.42Å; H131-F164 WeakPolarHBondContact CA-O 3.22Å; H131-F164 VanDerWaalsContact CD2-C 3.47Å; H131-F164 PolarHBondContact CD2-O 2.88Å; H131-Y165 HydrophobicContact CB-CD1 3.93Å; H131-Y165 HydrophobicContact CB-CE1 3.73Å; H131-Y165 AromaticContact CD2-CD1 3.8Å; H131-Y165 AromaticContact CD2-CD2 3.81Å; H131-Y165 AromaticContact CD2-CE1 3.61Å; H131-Y165 AromaticContact CD2-CE2 3.63Å; H131-Y165 AromaticContact CD2-CG 3.9Å; H131-Y165 AromaticContact CD2-CZ 3.53Å; H131-Y165 AromaticContact CG-CE1 3.91Å |
| 132 | Y | 95.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 19.4 Ų | 19.4 | 2% | 0.02 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.6 | -173.6 | -63.7 | -86.3 | 0 | 0 | 0 | 111.1 | M56 P57 L126 H127 H130 A163 F164 A166 | M56-Y132 CarbonylContact O-C 3.52Å; M56-Y132 VanDerWaalsContact O-CA 3.23Å; M56-Y132 WeakPolarHBondContact O-CA 3.08Å; P57-Y132 HydrophobicContact CB-CD1 4.45Å; P57-Y132 HydrophobicContact CB-CE1 4.32Å; P57-Y132 HydrophobicContact CG-CD1 4.23Å; P57-Y132 HydrophobicContact CG-CE1 3.87Å; L126-Y132 HydrophobicContact CB-CE2 4.07Å; L126-Y132 HydrophobicContact CD1-CD2 4.26Å; L126-Y132 HydrophobicContact CD1-CE2 4.37Å; L126-Y132 HydrophobicContact CD2-CD1 3.85Å; L126-Y132 HydrophobicContact CD2-CD2 4.33Å; L126-Y132 HydrophobicContact CD2-CE1 3.66Å; L126-Y132 HydrophobicContact CD2-CE2 4.13Å; L126-Y132 HydrophobicContact CD2-CG 4.19Å; L126-Y132 HydrophobicContact CG-CE2 4.43Å; H127-Y132 PolarHBondContact N-OH 2.89Å; H127-Y132 VanDerWaalsContact N-OH 3.1Å; H130-Y132 HydrophobicContact CB-CD2 4.39Å; H130-Y132 HydrophobicContact CB-CE2 3.57Å; Y132-A163 CarbonylContact O-C 3.54Å; Y132-A163 WeakPolarHBondContact O-CA 3.24Å; Y132-F164 HydrophobicContact CD2-CE2 4.37Å; Y132-F164 HydrophobicContact CG-CZ 4.5Å; Y132-F164 PolarHBondContact N-O 2.66Å; Y132-F164 PolarHBondContact O-N 3.18Å; Y132-A166 HydrophobicContact CD2-CB 3.96Å; Y132-A166 HydrophobicContact CE2-CB 3.79Å |
| 133 | A | 95.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 5% | 0.05 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M56 T58 A163 F239 | M56-A133 PolarHBondContact N-O 2.99Å; M56-A133 PolarHBondContact O-N 3.38Å; T58-A133 HydrophobicContact CG2-CB 3.74Å; A133-A163 HydrophobicContact CB-CB 4.26Å; A133-F239 HydrophobicContact CB-CZ 4.13Å |
| 134 | P | 96.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 128.9 | 169.8 | -18.9 | 30.9 | 0 | 0 | 0 | 112.7 | L36 V53 X54 L55 S158 T162 F164 | L36-P134 HydrophobicContact CD1-CB 3.73Å; L36-P134 HydrophobicContact CD1-CG 3.91Å; L36-P134 HydrophobicContact CD2-CB 3.92Å; L36-P134 HydrophobicContact CD2-CG 3.69Å; L36-P134 HydrophobicContact CG-CG 4.44Å; V53-P134 HydrophobicContact CG1-CB 4.37Å; A54-P134 CarbonylContact O-C 3.52Å; A54-P134 WeakPolarHBondContact O-CA 3.37Å; L55-P134 HydrophobicContact CD2-CB 3.74Å; L55-P134 HydrophobicContact CD2-CG 3.79Å; P134-S158 PolarHBondContact O-OG 2.98Å; P134-S158 VanDerWaalsContact O-OG 3.12Å; P134-T162 VanDerWaalsContact CD-O 3.24Å; P134-T162 WeakPolarHBondContact CD-O 3.46Å; P134-T162 WeakPolarHBondContact CD-OG1 3.41Å; P134-F164 HydrophobicContact CG-CE1 4.3Å |
| 135 | V | 95.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 108.8 | 175.2 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | V53 X54 M56 R156 R157 | V53-V135 WeakPolarHBondContact CA-O 3.45Å; A54-V135 HydrophobicContact CB-CB 4.48Å; A54-V135 PolarHBondContact N-O 2.88Å; A54-V135 PolarHBondContact O-N 3.01Å; M56-V135 HydrophobicContact CB-CG2 4.27Å; M56-V135 HydrophobicContact CG-CB 4.35Å; M56-V135 HydrophobicContact CG-CG2 3.64Å; V135-R156 HydrophobicContact CG1-CG 3.61Å; V135-R157 CarbonylContact C-O 3.59Å |
| 136 | L | 96.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 132.5 | 172.1 | -174.5 | 76.6 | 0 | 0 | 0 | 109.5 | I5 Y38 I51 F52 V53 F108 R156 R157 | I5-L136 HydrophobicContact CD1-CD2 3.77Å; I5-L136 HydrophobicContact CG2-CD2 3.65Å; Y38-L136 HydrophobicContact CD1-CD2 4.16Å; Y38-L136 HydrophobicContact CD2-CD1 3.84Å; Y38-L136 HydrophobicContact CD2-CD2 4.14Å; Y38-L136 HydrophobicContact CE2-CD1 3.87Å; Y38-L136 HydrophobicContact CG-CD1 4.45Å; Y38-L136 HydrophobicContact CG-CD2 3.91Å; I51-L136 HydrophobicContact CG2-CD1 3.48Å; I51-L136 VanDerWaalsContact CG2-CD1 3.48Å; I51-L136 HydrophobicContact CG2-CG 4.23Å; F52-L136 CarbonylContact O-C 3.5Å; F52-L136 WeakPolarHBondContact O-CA 3.48Å; V53-L136 HydrophobicContact CG2-CD1 3.89Å; F108-L136 HydrophobicContact CE2-CD1 3.66Å; F108-L136 HydrophobicContact CZ-CD1 3.86Å; L136-R156 CarbonylContact O-C 3.48Å; L136-R156 VanDerWaalsContact O-CA 3.3Å; L136-R156 WeakPolarHBondContact O-CA 3.45Å; L136-R157 PolarHBondContact N-O 3.13Å; L136-R157 PolarHBondContact O-N 3.38Å |
| 137 | T | 94.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | I51 F52 V139 L153 A155 F224 | I51-T137 CarbonylContact C-O 3.57Å; I51-T137 WeakPolarHBondContact CA-O 3.4Å; F52-T137 PolarHBondContact N-O 3.26Å; F52-T137 PolarHBondContact O-N 3.3Å; T137-V139 HydrophobicContact CG2-CG2 3.94Å; T137-L153 HydrophobicContact CG2-CD1 3.32Å; T137-A155 WeakPolarHBondContact CA-O 3.48Å; T137-F224 HydrophobicContact CG2-CE2 3.41Å; T137-F224 VanDerWaalsContact CG2-CE2 3.41Å; T137-F224 HydrophobicContact CG2-CZ 3.76Å |
| 138 | V | 95.4 | Very high | 82.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.2 | 177.7 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | I5 L43 Y49 I51 V154 A155 | I5-V138 HydrophobicContact CD1-CG2 3.94Å; L43-V138 HydrophobicContact CD2-CG1 4.14Å; Y49-V138 HydrophobicContact CD1-CG1 4.04Å; I51-V138 HydrophobicContact CD1-CG1 4.22Å; I51-V138 HydrophobicContact CD1-CG2 4.09Å; I51-V138 HydrophobicContact CG1-CB 4.41Å; I51-V138 HydrophobicContact CG1-CG1 4.04Å; I51-V138 HydrophobicContact CG1-CG2 4.11Å; I51-V138 HydrophobicContact CG2-CG2 4.32Å; V138-V154 HydrophobicContact CB-CG2 3.89Å; V138-V154 HydrophobicContact CG1-CG2 3.53Å; V138-V154 VanDerWaalsContact O-CG2 3.25Å; V138-V154 WeakPolarHBondContact O-CG2 3.33Å; V138-V154 PolarHBondContact O-N 3.36Å; V138-A155 HydrophobicContact CB-CB 4.18Å; V138-A155 HydrophobicContact CG2-CB 4.27Å; V138-A155 PolarHBondContact N-O 2.93Å; V138-A155 PolarHBondContact O-N 3.2Å |
| 139 | V | 93.8 | Very high | 80.6 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.1 | -178.1 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | Y49 A50 F52 T137 L141 Q152 L153 F224 | Y49-V139 CarbonylContact C-O 3.49Å; Y49-V139 WeakPolarHBondContact CA-O 3.3Å; Y49-V139 WeakPolarHBondContact CB-O 3.33Å; A50-V139 PolarHBondContact N-O 2.9Å; A50-V139 PolarHBondContact O-N 3.38Å; F52-V139 HydrophobicContact CD2-CG2 4.46Å; F52-V139 HydrophobicContact CE2-CB 4.44Å; F52-V139 HydrophobicContact CE2-CG2 4.18Å; T137-V139 HydrophobicContact CG2-CG2 3.94Å; V139-L141 HydrophobicContact CG1-CD2 4.11Å; V139-Q152 CarbonylContact C-O 3.6Å; V139-Q152 VanDerWaalsContact CA-O 3.3Å; V139-Q152 WeakPolarHBondContact CA-O 3.43Å; V139-Q152 WeakPolarHBondContact CG1-O 3.43Å; V139-L153 HydrophobicContact CG2-CD1 4.4Å; V139-F224 HydrophobicContact CG2-CD2 3.74Å; V139-F224 HydrophobicContact CG2-CE2 3.72Å |
| 140 | R | 92.5 | Very high | 79.6 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 35% | 0.347 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.2 | 167.7 | -169.6 | 178.4 | -177.1 | 157.6 | 10.5 | 108.5 | D44 T48 Y49 S151 Q152 V154 | D44-R140 IonicContact OD2-CZ 3.58Å; D44-R140 IonicContact OD2-NH1 3.89Å; D44-R140 IonicContact OD2-NH2 2.9Å; D44-R140 PolarHBondContact OD2-NH2 2.67Å; T48-R140 CarbonylContact O-C 3.17Å; T48-R140 WeakPolarHBondContact O-CA 3.29Å; Y49-R140 HydrophobicContact CD1-CB 3.77Å; Y49-R140 HydrophobicContact CD1-CG 4.16Å; Y49-R140 HydrophobicContact CE1-CB 3.53Å; Y49-R140 HydrophobicContact CE1-CG 3.72Å; R140-S151 CarbonylContact O-C 3.56Å; R140-S151 VanDerWaalsContact O-CA 3.29Å; R140-S151 WeakPolarHBondContact O-CA 3.48Å; R140-S151 WeakPolarHBondContact O-CB 3.42Å; R140-Q152 HydrophobicContact CB-CB 4.46Å; R140-Q152 PolarHBondContact N-O 3.12Å; R140-Q152 PolarHBondContact O-N 3.31Å; R140-V154 HydrophobicContact CB-CG1 3.82Å |
| 141 | L | 89.9 | Confident | 79 | Confident | 31 Ų | 31 | 61.4 Ų | 61.4 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 136.7 | 174 | -54.5 | -175.5 | 0 | 0 | 0 | 109.1 | T48 A50 P95 V139 L220 | T48-L141 HydrophobicContact CG2-CB 4.38Å; T48-L141 HydrophobicContact CG2-CD1 4.37Å; T48-L141 PolarHBondContact O-N 2.87Å; A50-L141 HydrophobicContact CB-CD1 4.16Å; A50-L141 HydrophobicContact CB-CD2 4.33Å; A50-L141 HydrophobicContact CB-CG 4.37Å; P95-L141 HydrophobicContact CB-CD1 3.59Å; P95-L141 HydrophobicContact CG-CD1 4.31Å; V139-L141 HydrophobicContact CG1-CD2 4.11Å; L141-L220 HydrophobicContact CD1-CD2 4.24Å |
| 142 | H | 80.7 | Confident | 78.6 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 118.5 | 170 | -164.2 | -72.3 | 0 | 0 | 0 | 108.7 | ||
| 143 | E | 63.4 | Low | 78.3 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 55% | 0.551 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -77 | 149.2 | 177.6 | -72.1 | -179.2 | 179.5 | 0 | 0 | 111.7 | T48 Y145 | T48-E143 VanDerWaalsContact CB-OE1 3.27Å; T48-E143 WeakPolarHBondContact CB-OE1 3.47Å; T48-E143 PolarHBondContact OG1-OE1 2.95Å; E143-Y145 PolarHBondContact O-N 2.91Å |
| 144 | F | 54.4 | Low | 78.2 | Confident | 196 Ų | 196 | 69.1 Ų | 69.1 | 86% | 0.86 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -8.4 | 77.4 | 176.8 | -64.3 | -89.9 | 0 | 0 | 0 | 118.9 | ||
| 145 | Y | 45.5 | Very low | 78.1 | Confident | 190 Ų | 190 | 69.7 Ų | 69.7 | 75% | 0.745 | 38% | 0.382 | S | S | * | . | trans | -138.8 | 109.1 | 139.5 | -79.4 | -81.2 | 0 | 0 | 0 | 107.9 | E143 G147 | E143-Y145 PolarHBondContact O-N 2.91Å; Y145-G147 VanDerWaalsContact C-N 3.27Å; Y145-G147 PolarHBondContact O-N 3.17Å | ||
| 146 | P | 46.6 | Very low | 78.1 | Confident | 140 Ų | 140 | 71.4 Ų | 71.4 | 91% | 0.909 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 92.9 | 171.5 | 28.2 | -31.5 | 0 | 0 | 0 | 107.4 | ||
| 147 | G | 51.7 | Low | 78 | Confident | 64 Ų | 64 | 76.8 Ų | 76.8 | 66% | 0.66 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 175.4 | -57.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y145 | Y145-G147 VanDerWaalsContact C-N 3.27Å; Y145-G147 PolarHBondContact O-N 3.17Å |
| 148 | N | 51.7 | Low | 78.1 | Confident | 156 Ų | 156 | 77.5 Ų | 77.5 | 83% | 0.834 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -132.9 | 17.3 | -156.9 | -78.2 | -3.6 | 0 | 0 | 0 | 117.8 | ||
| 149 | G | 62.9 | Low | 78.2 | Confident | 37 Ų | 37 | 79 Ų | 79 | 38% | 0.381 | 42% | 0.42 | S | S | . | . | trans | -154.9 | 122 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 150 | A | 75 | Confident | 78.3 | Confident | 90 Ų | 90 | 82 Ų | 82 | 74% | 0.744 | 44% | 0.44 | S | S | * | . | trans | -74.7 | 146.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 151 | S | 84 | Confident | 78.5 | Confident | 27 Ų | 27 | 79.8 Ų | 79.8 | 19% | 0.189 | 43% | 0.433 | C | S | . | . | trans | -54.9 | 149.5 | 163.7 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | R140 T227 | R140-S151 CarbonylContact O-C 3.56Å; R140-S151 VanDerWaalsContact O-CA 3.29Å; R140-S151 WeakPolarHBondContact O-CA 3.48Å; R140-S151 WeakPolarHBondContact O-CB 3.42Å; S151-T227 VanDerWaalsContact C-CG2 3.49Å; S151-T227 WeakPolarHBondContact CB-OG1 3.37Å; S151-T227 WeakPolarHBondContact O-CG2 3.43Å | ||
| 152 | Q | 88.3 | Confident | 79 | Confident | 117 Ų | 117 | 78.3 Ų | 78.3 | 55% | 0.547 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.4 | -172.2 | -174.7 | -176.1 | 9.8 | 0 | 0 | 110.7 | V139 R140 V154 | V139-Q152 CarbonylContact C-O 3.6Å; V139-Q152 VanDerWaalsContact CA-O 3.3Å; V139-Q152 WeakPolarHBondContact CA-O 3.43Å; V139-Q152 WeakPolarHBondContact CG1-O 3.43Å; R140-Q152 HydrophobicContact CB-CB 4.46Å; R140-Q152 PolarHBondContact N-O 3.12Å; R140-Q152 PolarHBondContact O-N 3.31Å; Q152-V154 HydrophobicContact CB-CG1 4.43Å; Q152-V154 HydrophobicContact CG-CG1 4.2Å; Q152-V154 PolarHBondContact O-N 3.38Å |
| 153 | L | 90.7 | Very high | 79.8 | Confident | 49 Ų | 49 | 74.2 Ų | 74.2 | 26% | 0.257 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 112.8 | 164.1 | 176.1 | 64.1 | 0 | 0 | 0 | 108.8 | T137 V139 A155 R156 L228 | T137-L153 HydrophobicContact CG2-CD1 3.32Å; V139-L153 HydrophobicContact CG2-CD1 4.4Å; L153-A155 WeakPolarHBondContact CD1-O 3.48Å; L153-R156 HydrophobicContact CD1-CB 4.47Å; L153-L228 HydrophobicContact CB-CD2 4.09Å; L153-L228 HydrophobicContact CD2-CD1 4.32Å; L153-L228 HydrophobicContact CD2-CD2 4.2Å |
| 154 | V | 93.2 | Very high | 81.4 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -27.6 | -178.5 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | L3 L43 Y49 V138 R140 Q152 | L3-V154 HydrophobicContact CD2-CB 4.04Å; L3-V154 HydrophobicContact CD2-CG2 4.05Å; L3-V154 WeakPolarHBondContact CD2-O 3.36Å; L43-V154 HydrophobicContact CD2-CG2 4.47Å; Y49-V154 HydrophobicContact CD1-CG2 4.08Å; Y49-V154 HydrophobicContact CE1-CG1 4.44Å; Y49-V154 HydrophobicContact CE1-CG2 3.95Å; V138-V154 HydrophobicContact CB-CG2 3.89Å; V138-V154 HydrophobicContact CG1-CG2 3.53Å; V138-V154 VanDerWaalsContact O-CG2 3.25Å; V138-V154 WeakPolarHBondContact O-CG2 3.33Å; V138-V154 PolarHBondContact O-N 3.36Å; R140-V154 HydrophobicContact CB-CG1 3.82Å; Q152-V154 HydrophobicContact CB-CG1 4.43Å; Q152-V154 HydrophobicContact CG-CG1 4.2Å; Q152-V154 PolarHBondContact O-N 3.38Å |
| 155 | A | 94.3 | Very high | 83.5 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 146.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L3 I5 T137 V138 L153 | L3-A155 HydrophobicContact CD2-CB 3.65Å; L3-A155 HydrophobicContact CG-CB 4.26Å; I5-A155 HydrophobicContact CD1-CB 3.79Å; T137-A155 WeakPolarHBondContact CA-O 3.48Å; V138-A155 HydrophobicContact CB-CB 4.18Å; V138-A155 HydrophobicContact CG2-CB 4.27Å; V138-A155 PolarHBondContact N-O 2.93Å; V138-A155 PolarHBondContact O-N 3.2Å; L153-A155 WeakPolarHBondContact CD1-O 3.48Å |
| 156 | R | 93.9 | Very high | 86 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 14% | 0.143 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 121.7 | 167.2 | -175.8 | 178.2 | 176.8 | 107 | -12 | 107.4 | V135 L136 L153 A233 | V135-R156 HydrophobicContact CG1-CG 3.61Å; L136-R156 CarbonylContact O-C 3.48Å; L136-R156 VanDerWaalsContact O-CA 3.3Å; L136-R156 WeakPolarHBondContact O-CA 3.45Å; L153-R156 HydrophobicContact CD1-CB 4.47Å; R156-A233 PolarHBondContact NH1-O 3.21Å; R156-A233 PolarHBondContact NH2-O 3.41Å |
| 157 | R | 95.5 | Very high | 88.5 | Confident | 113 Ų | 113 | 45 Ų | 45 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 140.8 | -174.8 | -66.6 | -63.6 | 173.6 | -143.4 | 7.1 | 111.2 | I5 V135 L136 F159 | I5-R157 HydrophobicContact CB-CG 4.36Å; I5-R157 HydrophobicContact CD1-CB 4.48Å; I5-R157 HydrophobicContact CD1-CG 3.99Å; I5-R157 HydrophobicContact CG1-CG 4.45Å; V135-R157 CarbonylContact C-O 3.59Å; L136-R157 PolarHBondContact N-O 3.13Å; L136-R157 PolarHBondContact O-N 3.38Å; R157-F159 HydrophobicContact CB-CE2 4.46Å |
| 158 | S | 95.7 | Very high | 90.6 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151 | 170.6 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | P134 F237 | P134-S158 PolarHBondContact O-OG 2.98Å; P134-S158 VanDerWaalsContact O-OG 3.12Å; S158-F237 VanDerWaalsContact CB-CE1 3.49Å |
| 159 | F | 97.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 40.9 Ų | 40.9 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | trans | -119.6 | 116 | 178 | -66.9 | -94 | 0 | 0 | 0 | 107.6 | I5 L7 Y38 R157 E161 T162 | I5-F159 HydrophobicContact CG2-CE2 4.43Å; I5-F159 HydrophobicContact CG2-CZ 4.3Å; I5-F159 WeakPolarHBondContact O-CZ 3.41Å; L7-F159 HydrophobicContact CB-CD1 3.68Å; L7-F159 HydrophobicContact CB-CD2 4.32Å; L7-F159 HydrophobicContact CB-CE1 3.69Å; L7-F159 HydrophobicContact CB-CE2 4.33Å; L7-F159 HydrophobicContact CB-CG 4Å; L7-F159 HydrophobicContact CB-CZ 4.02Å; L7-F159 HydrophobicContact CD2-CB 4.08Å; L7-F159 HydrophobicContact CD2-CD1 4.31Å; L7-F159 HydrophobicContact CD2-CG 4.19Å; L7-F159 HydrophobicContact CG-CG 4.5Å; Y38-F159 HydrophobicContact CD1-CD2 4.31Å; Y38-F159 AromaticContact CD1-CE2 3.71Å; Y38-F159 HydrophobicContact CD1-CE2 3.71Å; Y38-F159 HydrophobicContact CD1-CZ 4.43Å; Y38-F159 AromaticContact CE1-CD2 3.69Å; Y38-F159 HydrophobicContact CE1-CD2 3.69Å; Y38-F159 AromaticContact CE1-CE2 3.53Å; Y38-F159 HydrophobicContact CE1-CE2 3.53Å; R157-F159 HydrophobicContact CB-CE2 4.46Å; F159-E161 PolarHBondContact O-N 3.24Å; F159-E161 VanDerWaalsContact O-N 3.13Å; F159-T162 HydrophobicContact CB-CG2 3.82Å; F159-T162 WeakPolarHBondContact O-CB 3.37Å; F159-T162 PolarHBondContact O-N 3.48Å; F159-T162 PolarHBondContact O-OG1 3.32Å | ||
| 160 | P | 96.8 | Very high | 94.4 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 44% | 0.442 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -50.5 | -38.7 | -177.1 | -23.1 | 26.8 | 0 | 0 | 0 | 113.7 | T162 A163 F239 | P160-T162 PolarHBondContact O-N 3.19Å; P160-A163 WeakPolarHBondContact O-CB 3.42Å; P160-A163 PolarHBondContact O-N 2.84Å; P160-A163 VanDerWaalsContact O-N 3.13Å; P160-F239 HydrophobicContact CB-CD1 4.04Å; P160-F239 HydrophobicContact CB-CE1 3.95Å; P160-F239 HydrophobicContact CG-CD1 3.49Å; P160-F239 VanDerWaalsContact CG-CD1 3.49Å; P160-F239 HydrophobicContact CG-CE1 3.86Å; P160-F239 HydrophobicContact CG-CG 4.18Å |
| 161 | E | 97.5 | Very high | 95.5 | Very high | 45 Ų | 45 | 41.8 Ų | 41.8 | 21% | 0.21 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -67.4 | -13.2 | 179.3 | 67.4 | -89.9 | -144.8 | 0 | 0 | 114.2 | L7 W13 S17 F159 | L7-E161 HydrophobicContact CD2-CG 3.68Å; L7-E161 WeakPolarHBondContact CD2-OE1 3.22Å; W13-E161 HydrophobicContact CB-CG 4Å; S17-E161 WeakPolarHBondContact CB-O 3.44Å; F159-E161 PolarHBondContact O-N 3.24Å; F159-E161 VanDerWaalsContact O-N 3.13Å |
| 162 | T | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -90.3 | -5.1 | 175.6 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | L7 W13 L36 P134 F159 P160 | L7-T162 HydrophobicContact CD1-CG2 3.75Å; L7-T162 HydrophobicContact CD2-CG2 3.57Å; L7-T162 HydrophobicContact CG-CG2 4.34Å; W13-T162 HydrophobicContact CD2-CG2 3.82Å; W13-T162 HydrophobicContact CE3-CG2 4.03Å; W13-T162 HydrophobicContact CG-CG2 4.18Å; W13-T162 HydrophobicContact CZ2-CG2 4.36Å; W13-T162 HydrophobicContact CZ3-CG2 4.36Å; L36-T162 HydrophobicContact CD2-CG2 4.17Å; P134-T162 VanDerWaalsContact CD-O 3.24Å; P134-T162 WeakPolarHBondContact CD-O 3.46Å; P134-T162 WeakPolarHBondContact CD-OG1 3.41Å; F159-T162 HydrophobicContact CB-CG2 3.82Å; F159-T162 WeakPolarHBondContact O-CB 3.37Å; F159-T162 PolarHBondContact O-N 3.48Å; F159-T162 PolarHBondContact O-OG1 3.32Å; P160-T162 PolarHBondContact O-N 3.19Å |
| 163 | A | 98 | Very high | 96.4 | Very high | 10 Ų | 10 | 43.4 Ų | 43.4 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | trans | -65 | 146.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | T21 H131 Y132 A133 P160 | T21-A163 WeakPolarHBondContact CB-O 3.27Å; H131-A163 VanDerWaalsContact CE1-CB 3.45Å; H131-A163 WeakPolarHBondContact CE1-CB 3.42Å; Y132-A163 CarbonylContact O-C 3.54Å; Y132-A163 WeakPolarHBondContact O-CA 3.24Å; A133-A163 HydrophobicContact CB-CB 4.26Å; P160-A163 WeakPolarHBondContact O-CB 3.42Å; P160-A163 PolarHBondContact O-N 2.84Å; P160-A163 VanDerWaalsContact O-N 3.13Å | ||
| 164 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 157 | -172.3 | 70.2 | -89.3 | 0 | 0 | 0 | 112.9 | T21 M23 M32 L55 L113 L126 H131 Y132 P134 A166 | T21-F164 HydrophobicContact CG2-CB 3.74Å; T21-F164 CarbonylContact O-C 3.56Å; T21-F164 WeakPolarHBondContact O-CA 3.5Å; T21-F164 WeakPolarHBondContact O-CB 3.35Å; M23-F164 HydrophobicContact CB-CD2 3.43Å; M23-F164 VanDerWaalsContact CB-CD2 3.43Å; M23-F164 HydrophobicContact CB-CE2 3.64Å; M23-F164 HydrophobicContact CB-CG 4.19Å; M23-F164 HydrophobicContact CG-CB 3.92Å; M23-F164 HydrophobicContact CG-CD1 4.11Å; M23-F164 HydrophobicContact CG-CD2 3.25Å; M23-F164 HydrophobicContact CG-CE2 3.74Å; M23-F164 HydrophobicContact CG-CG 3.47Å; M23-F164 VanDerWaalsContact CG-CG 3.47Å; M23-F164 HydrophobicContact CG-CZ 4.35Å; M32-F164 HydrophobicContact CE-CD1 3.94Å; M32-F164 HydrophobicContact CE-CE1 3.55Å; M32-F164 HydrophobicContact CE-CZ 4.04Å; L55-F164 HydrophobicContact CD1-CE1 4.35Å; L55-F164 HydrophobicContact CD1-CZ 3.98Å; L55-F164 HydrophobicContact CD2-CE1 4.21Å; L113-F164 HydrophobicContact CD1-CE2 4.11Å; L113-F164 HydrophobicContact CD1-CZ 4.2Å; L126-F164 HydrophobicContact CD1-CE2 4.01Å; L126-F164 HydrophobicContact CD1-CZ 3.9Å; H131-F164 WeakPolarHBondContact CA-O 3.22Å; H131-F164 VanDerWaalsContact CD2-C 3.47Å; H131-F164 PolarHBondContact CD2-O 2.88Å; Y132-F164 HydrophobicContact CD2-CE2 4.37Å; Y132-F164 HydrophobicContact CG-CZ 4.5Å; Y132-F164 PolarHBondContact N-O 2.66Å; Y132-F164 PolarHBondContact O-N 3.18Å; P134-F164 HydrophobicContact CG-CE1 4.3Å; F164-A166 HydrophobicContact CE2-CB 4.23Å |
| 165 | Y | 98.2 | Very high | 97 | Very high | 30 Ų | 30 | 44.6 Ų | 44.6 | 12% | 0.118 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123 | 168.3 | -63.5 | -83.2 | 0 | 0 | 0 | 110.3 | T21 E22 M23 Y63 W70 H130 H131 | T21-Y165 PolarHBondContact O-N 3.12Å; E22-Y165 WeakPolarHBondContact CA-O 3.06Å; M23-Y165 PolarHBondContact N-O 2.79Å; Y63-Y165 AromaticContact CD1-CE1 3.96Å; Y63-Y165 HydrophobicContact CD1-CE1 3.96Å; Y63-Y165 HydrophobicContact CD2-CD1 4.34Å; Y63-Y165 AromaticContact CD2-CE1 3.87Å; Y63-Y165 HydrophobicContact CD2-CE1 3.87Å; Y63-Y165 HydrophobicContact CE1-CE1 4.29Å; Y63-Y165 HydrophobicContact CE2-CE1 4.19Å; Y63-Y165 HydrophobicContact CG-CD1 4.33Å; Y63-Y165 AromaticContact CG-CE1 3.75Å; Y63-Y165 HydrophobicContact CG-CE1 3.75Å; W70-Y165 HydrophobicContact CB-CE1 4.16Å; W70-Y165 HydrophobicContact CB-CE2 4.07Å; W70-Y165 AromaticContact CD1-CD2 3.59Å; W70-Y165 AromaticContact CD1-CE2 3.25Å; W70-Y165 AromaticContact CD1-CZ 3.8Å; W70-Y165 AromaticContact CD2-CD1 3.8Å; W70-Y165 HydrophobicContact CD2-CD1 3.8Å; W70-Y165 AromaticContact CD2-CD2 3.75Å; W70-Y165 HydrophobicContact CD2-CD2 3.75Å; W70-Y165 AromaticContact CD2-CE1 3.85Å; W70-Y165 HydrophobicContact CD2-CE1 3.85Å; W70-Y165 AromaticContact CD2-CE2 3.8Å; W70-Y165 HydrophobicContact CD2-CE2 3.8Å; W70-Y165 AromaticContact CD2-CG 3.74Å; W70-Y165 HydrophobicContact CD2-CG 3.74Å; W70-Y165 AromaticContact CD2-CZ 3.85Å; W70-Y165 AromaticContact CE2-CD2 3.41Å; W70-Y165 VanDerWaalsContact CE2-CD2 3.41Å; W70-Y165 AromaticContact CE2-CE2 3.87Å; W70-Y165 AromaticContact CE2-CG 3.51Å; W70-Y165 AromaticContact CE3-CD1 3.82Å; W70-Y165 HydrophobicContact CE3-CD1 3.82Å; W70-Y165 AromaticContact CE3-CE1 3.99Å; W70-Y165 HydrophobicContact CE3-CE1 3.99Å; W70-Y165 HydrophobicContact CE3-CG 4.11Å; W70-Y165 HydrophobicContact CG-CD1 4.33Å; W70-Y165 AromaticContact CG-CD2 3.88Å; W70-Y165 HydrophobicContact CG-CD2 3.88Å; W70-Y165 AromaticContact CG-CE1 3.95Å; W70-Y165 HydrophobicContact CG-CE1 3.95Å; W70-Y165 AromaticContact CG-CE2 3.44Å; W70-Y165 HydrophobicContact CG-CE2 3.44Å; W70-Y165 VanDerWaalsContact CG-CE2 3.44Å; W70-Y165 HydrophobicContact CG-CG 4.29Å; W70-Y165 AromaticContact CG-CZ 3.47Å; W70-Y165 VanDerWaalsContact CG-CZ 3.47Å; W70-Y165 HydrophobicContact CH2-CD1 4.3Å; W70-Y165 HydrophobicContact CH2-CG 4.02Å; W70-Y165 HydrophobicContact CZ2-CD1 4.33Å; W70-Y165 AromaticContact CZ2-CD2 3.97Å; W70-Y165 HydrophobicContact CZ2-CD2 3.97Å; W70-Y165 AromaticContact CZ2-CG 3.69Å; W70-Y165 HydrophobicContact CZ2-CG 3.69Å; W70-Y165 HydrophobicContact CZ3-CD1 4.04Å; W70-Y165 HydrophobicContact CZ3-CG 4.21Å; W70-Y165 AromaticContact NE1-CD2 3.3Å; W70-Y165 VanDerWaalsContact NE1-CD2 3.3Å; W70-Y165 AromaticContact NE1-CE2 3.53Å; W70-Y165 AromaticContact NE1-CG 3.93Å; H130-Y165 WeakPolarHBondContact O-CA 3.45Å; H131-Y165 HydrophobicContact CB-CD1 3.93Å; H131-Y165 HydrophobicContact CB-CE1 3.73Å; H131-Y165 AromaticContact CD2-CD1 3.8Å; H131-Y165 AromaticContact CD2-CD2 3.81Å; H131-Y165 AromaticContact CD2-CE1 3.61Å; H131-Y165 AromaticContact CD2-CE2 3.63Å; H131-Y165 AromaticContact CD2-CG 3.9Å; H131-Y165 AromaticContact CD2-CZ 3.53Å; H131-Y165 AromaticContact CG-CE1 3.91Å |
| 166 | A | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 129.3 | 169 | 0 | 0 | 0 | 0 | 0 | 108.8 | M23 V25 L126 S128 M129 H130 Y132 F164 | M23-A166 WeakPolarHBondContact O-CA 3.26Å; V25-A166 HydrophobicContact CG1-CB 4Å; L126-A166 HydrophobicContact CB-CB 4.32Å; L126-A166 HydrophobicContact CD1-CB 4.2Å; S128-A166 CarbonylContact C-O 3.57Å; M129-A166 WeakPolarHBondContact CA-O 3.48Å; M129-A166 PolarHBondContact N-O 3.25Å; H130-A166 PolarHBondContact O-N 2.87Å; Y132-A166 HydrophobicContact CD2-CB 3.96Å; Y132-A166 HydrophobicContact CE2-CB 3.79Å; F164-A166 HydrophobicContact CE2-CB 4.23Å |
| 167 | V | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 154.3 | -178.5 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | E22 M23 I24 V25 W70 S128 M129 A169 Q171 | E22-V167 HydrophobicContact CB-CG2 4.07Å; M23-V167 PolarHBondContact O-N 3.46Å; I24-V167 CarbonylContact C-O 3.5Å; I24-V167 WeakPolarHBondContact CA-O 3.36Å; I24-V167 HydrophobicContact CD1-CG2 3.69Å; V25-V167 WeakPolarHBondContact CG2-O 3.41Å; V25-V167 PolarHBondContact N-O 3.15Å; W70-V167 HydrophobicContact CH2-CG1 3.56Å; W70-V167 HydrophobicContact CZ2-CG1 4.04Å; S128-V167 WeakPolarHBondContact OG-CA 3.19Å; M129-V167 HydrophobicContact SD-CB 4.48Å; M129-V167 HydrophobicContact SD-CG1 4.02Å; V167-A169 WeakPolarHBondContact CB-O 3.36Å; V167-A169 VanDerWaalsContact CG2-O 3.23Å; V167-A169 WeakPolarHBondContact CG2-O 3.44Å; V167-Q171 HydrophobicContact CG1-CG 4.09Å |
| 168 | T | 97.2 | Very high | 97.1 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -87.3 | -19.4 | 174 | 46.9 | 0 | 0 | 0 | 0 | 112.8 | V25 S128 | V25-T168 HydrophobicContact CG2-CG2 4.11Å; S128-T168 PolarHBondContact OG-N 3.15Å |
| 169 | A | 96.2 | Very high | 97.2 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 44% | 0.438 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -147.8 | 149.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | V167 Q171 | V167-A169 WeakPolarHBondContact CB-O 3.36Å; V167-A169 VanDerWaalsContact CG2-O 3.23Å; V167-A169 WeakPolarHBondContact CG2-O 3.44Å; A169-Q171 PolarHBondContact O-NE2 2.89Å |
| 170 | Y | 97.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 45 Ų | 45 | 28% | 0.282 | 23% | 0.23 | S | C | . | . | trans | -60.7 | 141.8 | 178.2 | -67.7 | -62 | 0 | 0 | 0 | 111.2 | E22 I24 I175 I176 K179 | E22-Y170 HydrophobicContact CB-CD1 3.99Å; E22-Y170 HydrophobicContact CB-CE1 4.28Å; E22-Y170 WeakPolarHBondContact OE2-CA 3.36Å; E22-Y170 WeakPolarHBondContact OE2-CD1 3.43Å; I24-Y170 HydrophobicContact CD1-CD1 3.68Å; I24-Y170 HydrophobicContact CD1-CD2 4Å; I24-Y170 HydrophobicContact CD1-CE1 3.66Å; I24-Y170 HydrophobicContact CD1-CE2 3.99Å; I24-Y170 HydrophobicContact CD1-CG 3.85Å; I24-Y170 HydrophobicContact CG1-CD1 4.34Å; I24-Y170 HydrophobicContact CG1-CD2 4.42Å; I24-Y170 HydrophobicContact CG1-CE1 3.81Å; I24-Y170 HydrophobicContact CG1-CE2 3.92Å; Y170-I175 HydrophobicContact CD1-CG2 4.1Å; Y170-I175 HydrophobicContact CE1-CG2 4.2Å; Y170-I176 VanDerWaalsContact CB-CG1 3.43Å; Y170-I176 HydrophobicContact CD2-CG1 3.99Å; Y170-I176 HydrophobicContact CG-CG1 3.84Å; Y170-K179 HydrophobicContact CE1-CD 4.36Å; Y170-K179 HydrophobicContact CE1-CG 4.15Å; Y170-K179 HydrophobicContact CE2-CG 4.43Å; Y170-K179 WeakPolarHBondContact OH-CD 3.43Å; Y170-K179 WeakPolarHBondContact OH-CE 3.21Å | ||
| 171 | Q | 98.1 | Very high | 96.8 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 35% | 0.346 | 23% | 0.227 | S | C | . | . | trans | -107.9 | -37.5 | -177.8 | -53.8 | -63.8 | -64.8 | 0 | 0 | 111.9 | E22 F65 W70 V167 A169 | E22-Q171 WeakPolarHBondContact OE1-CB 3.32Å; E22-Q171 PolarHBondContact OE2-N 3.38Å; F65-Q171 HydrophobicContact CB-CB 3.52Å; F65-Q171 HydrophobicContact CB-CG 4.06Å; F65-Q171 HydrophobicContact CD1-CB 3.96Å; F65-Q171 WeakPolarHBondContact CD1-O 3.3Å; F65-Q171 HydrophobicContact CG-CB 3.77Å; W70-Q171 HydrophobicContact CH2-CB 4.41Å; W70-Q171 HydrophobicContact CH2-CG 3.83Å; W70-Q171 HydrophobicContact CZ2-CB 4.24Å; W70-Q171 HydrophobicContact CZ2-CG 4.09Å; V167-Q171 HydrophobicContact CG1-CG 4.09Å; A169-Q171 PolarHBondContact O-NE2 2.89Å | ||
| 172 | N | 96.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 9% | 0.086 | 23% | 0.232 | C | C | . | . | trans | -101.7 | 117.6 | -178.2 | -173.4 | -10 | 0 | 0 | 0 | 111.9 | Y19 E22 F65 K174 I175 I176 | Y19-N172 PolarHBondContact O-ND2 2.89Å; E22-N172 WeakPolarHBondContact OE1-CB 3.23Å; E22-N172 PolarHBondContact OE1-N 3.32Å; F65-N172 HydrophobicContact CE1-CB 3.99Å; F65-N172 HydrophobicContact CE2-CB 3.99Å; F65-N172 HydrophobicContact CZ-CB 3.59Å; N172-K174 PolarHBondContact O-N 3.19Å; N172-K174 WeakPolarHBondContact OD1-CB 3.45Å; N172-K174 PolarHBondContact OD1-N 3.14Å; N172-I175 HydrophobicContact CB-CB 4.29Å; N172-I175 HydrophobicContact CB-CG1 3.94Å; N172-I175 WeakPolarHBondContact O-CB 3.35Å; N172-I175 PolarHBondContact O-N 2.95Å; N172-I176 PolarHBondContact O-N 3.05Å; N172-I176 VanDerWaalsContact O-N 3.14Å | ||
| 173 | E | 95.1 | Very high | 96.4 | Very high | 162 Ų | 162 | 46.9 Ų | 46.9 | 76% | 0.757 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57.7 | -31.7 | 178.3 | -66.8 | -178.5 | 169.1 | 0 | 0 | 113.3 | I175 I176 Q177 | E173-I175 VanDerWaalsContact C-N 3.3Å; E173-I175 PolarHBondContact O-N 2.78Å; E173-I176 WeakPolarHBondContact O-CB 3.45Å; E173-I176 PolarHBondContact O-N 2.64Å; E173-Q177 PolarHBondContact O-N 3.12Å |
| 174 | K | 97.5 | Very high | 96.1 | Very high | 117 Ų | 117 | 50.6 Ų | 50.6 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 175.9 | -60.9 | -176.7 | -177.1 | 176.4 | 0 | 111.7 | Y19 N172 Q177 L178 | Y19-K174 HydrophobicContact CD1-CB 4.25Å; Y19-K174 HydrophobicContact CD1-CD 3.47Å; Y19-K174 VanDerWaalsContact CD1-CD 3.47Å; Y19-K174 HydrophobicContact CD2-CB 4.21Å; Y19-K174 HydrophobicContact CE1-CD 3.39Å; Y19-K174 HydrophobicContact CG-CB 4.04Å; Y19-K174 HydrophobicContact CG-CD 4.12Å; N172-K174 PolarHBondContact O-N 3.19Å; N172-K174 WeakPolarHBondContact OD1-CB 3.45Å; N172-K174 PolarHBondContact OD1-N 3.14Å; K174-Q177 PolarHBondContact O-N 2.81Å; K174-L178 WeakPolarHBondContact O-CG 3.21Å; K174-L178 PolarHBondContact O-N 2.93Å |
| 175 | I | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 173.5 | -64 | -67.5 | 0 | 0 | 0 | 109.8 | F16 G20 E22 Y170 N172 E173 Q177 L178 K179 | F16-I175 HydrophobicContact CD1-CD1 4.02Å; F16-I175 HydrophobicContact CD1-CG2 4.43Å; F16-I175 HydrophobicContact CE1-CG2 4.39Å; G20-I175 WeakPolarHBondContact O-CD1 3.44Å; E22-I175 HydrophobicContact CB-CG2 4Å; E22-I175 HydrophobicContact CG-CG1 4.25Å; E22-I175 HydrophobicContact CG-CG2 4.26Å; Y170-I175 HydrophobicContact CD1-CG2 4.1Å; Y170-I175 HydrophobicContact CE1-CG2 4.2Å; N172-I175 HydrophobicContact CB-CB 4.29Å; N172-I175 HydrophobicContact CB-CG1 3.94Å; N172-I175 WeakPolarHBondContact O-CB 3.35Å; N172-I175 PolarHBondContact O-N 2.95Å; E173-I175 VanDerWaalsContact C-N 3.3Å; E173-I175 PolarHBondContact O-N 2.78Å; I175-Q177 VanDerWaalsContact C-N 3.3Å; I175-Q177 PolarHBondContact O-N 2.84Å; I175-L178 PolarHBondContact O-N 3.29Å; I175-K179 HydrophobicContact CG2-CG 4.29Å; I175-K179 VanDerWaalsContact O-CG 3.22Å; I175-K179 WeakPolarHBondContact O-CG 3.39Å; I175-K179 PolarHBondContact O-N 3.37Å |
| 176 | I | 95 | Very high | 94.9 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 32% | 0.323 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.2 | -48.4 | 175.7 | -59.9 | 175.1 | 0 | 0 | 0 | 110.4 | Y170 N172 E173 K179 I180 | Y170-I176 VanDerWaalsContact CB-CG1 3.43Å; Y170-I176 HydrophobicContact CD2-CG1 3.99Å; Y170-I176 HydrophobicContact CG-CG1 3.84Å; N172-I176 PolarHBondContact O-N 3.05Å; N172-I176 VanDerWaalsContact O-N 3.14Å; E173-I176 WeakPolarHBondContact O-CB 3.45Å; E173-I176 PolarHBondContact O-N 2.64Å; I176-K179 WeakPolarHBondContact O-CB 3.34Å; I176-K179 PolarHBondContact O-N 2.85Å; I176-K179 VanDerWaalsContact O-N 3.15Å; I176-I180 HydrophobicContact CG2-CD1 4Å; I176-I180 WeakPolarHBondContact O-CG1 3.41Å; I176-I180 PolarHBondContact O-N 3.34Å |
| 177 | Q | 94.9 | Very high | 94.2 | Very high | 96 Ų | 96 | 64.2 Ų | 64.2 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 178.4 | -171.1 | 57.5 | 44.1 | 0 | 0 | 111.6 | E173 K174 I175 K179 I180 D181 | E173-Q177 PolarHBondContact O-N 3.12Å; K174-Q177 PolarHBondContact O-N 2.81Å; I175-Q177 VanDerWaalsContact C-N 3.3Å; I175-Q177 PolarHBondContact O-N 2.84Å; Q177-K179 VanDerWaalsContact C-N 3.26Å; Q177-K179 PolarHBondContact O-N 3.19Å; Q177-I180 WeakPolarHBondContact O-CB 3.23Å; Q177-I180 PolarHBondContact O-N 3.25Å; Q177-D181 VanDerWaalsContact NE2-CG 3.34Å; Q177-D181 PolarHBondContact NE2-OD1 3.11Å; Q177-D181 PolarHBondContact NE2-OD2 3.16Å; Q177-D181 VanDerWaalsContact NE2-OD2 3.15Å; Q177-D181 VanDerWaalsContact O-CG 3.27Å; Q177-D181 PolarHBondContact O-N 2.96Å |
| 178 | L | 97.2 | Very high | 93.5 | Very high | 20 Ų | 20 | 67.6 Ų | 67.6 | 11% | 0.105 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58 | -37.1 | 175.4 | -75.6 | 174.6 | 0 | 0 | 0 | 112.6 | Q15 F16 Y19 K174 I175 H182 | Q15-L178 WeakPolarHBondContact O-CD1 3.41Å; F16-L178 HydrophobicContact CD1-CB 4.25Å; F16-L178 HydrophobicContact CD1-CD1 4.25Å; F16-L178 HydrophobicContact CE1-CB 3.61Å; F16-L178 HydrophobicContact CE1-CD1 4.44Å; F16-L178 HydrophobicContact CE2-CB 4.12Å; F16-L178 HydrophobicContact CG-CD1 4.31Å; F16-L178 HydrophobicContact CZ-CB 3.55Å; Y19-L178 HydrophobicContact CD2-CD1 3.7Å; Y19-L178 HydrophobicContact CE2-CD1 4.15Å; K174-L178 WeakPolarHBondContact O-CG 3.21Å; K174-L178 PolarHBondContact O-N 2.93Å; I175-L178 PolarHBondContact O-N 3.29Å; L178-H182 WeakPolarHBondContact O-CB 3.16Å; L178-H182 PolarHBondContact O-N 2.56Å; L178-H182 PolarHBondContact O-ND1 3.35Å |
| 179 | K | 96.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 71.4 Ų | 71.4 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 174.1 | -61.7 | -74.1 | -179 | 165.5 | 0 | 110.8 | F16 E22 F33 Y170 I175 I176 Q177 D181 N183 | F16-K179 HydrophobicContact CE1-CD 3.67Å; F16-K179 HydrophobicContact CE1-CG 4.01Å; F16-K179 HydrophobicContact CZ-CD 4.05Å; F16-K179 HydrophobicContact CZ-CG 4.46Å; E22-K179 WeakPolarHBondContact O-CE 3.44Å; E22-K179 PolarHBondContact O-NZ 3.39Å; F33-K179 HydrophobicContact CD1-CD 3.8Å; F33-K179 PolarHBondContact O-NZ 3.12Å; Y170-K179 HydrophobicContact CE1-CD 4.36Å; Y170-K179 HydrophobicContact CE1-CG 4.15Å; Y170-K179 HydrophobicContact CE2-CG 4.43Å; Y170-K179 WeakPolarHBondContact OH-CD 3.43Å; Y170-K179 WeakPolarHBondContact OH-CE 3.21Å; I175-K179 HydrophobicContact CG2-CG 4.29Å; I175-K179 VanDerWaalsContact O-CG 3.22Å; I175-K179 WeakPolarHBondContact O-CG 3.39Å; I175-K179 PolarHBondContact O-N 3.37Å; I176-K179 WeakPolarHBondContact O-CB 3.34Å; I176-K179 PolarHBondContact O-N 2.85Å; I176-K179 VanDerWaalsContact O-N 3.15Å; Q177-K179 VanDerWaalsContact C-N 3.26Å; Q177-K179 PolarHBondContact O-N 3.19Å; K179-D181 VanDerWaalsContact C-N 3.33Å; K179-D181 PolarHBondContact O-N 3.06Å; K179-N183 WeakPolarHBondContact O-CA 3.2Å; K179-N183 WeakPolarHBondContact O-CB 3.19Å; K179-N183 PolarHBondContact O-N 3.28Å |
| 180 | I | 92.8 | Very high | 92.4 | Very high | 29 Ų | 29 | 72.6 Ų | 72.6 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 177.6 | -69.5 | 169.8 | 0 | 0 | 0 | 110.6 | I176 Q177 F189 R190 | I176-I180 HydrophobicContact CG2-CD1 4Å; I176-I180 WeakPolarHBondContact O-CG1 3.41Å; I176-I180 PolarHBondContact O-N 3.34Å; Q177-I180 WeakPolarHBondContact O-CB 3.23Å; Q177-I180 PolarHBondContact O-N 3.25Å; I180-F189 HydrophobicContact CD1-CB 4.12Å; I180-F189 HydrophobicContact CG1-CB 3.98Å; I180-F189 HydrophobicContact CG2-CB 3.98Å; I180-R190 HydrophobicContact CG2-CB 4.48Å; I180-R190 HydrophobicContact CG2-CG 3.76Å; I180-R190 PolarHBondContact O-NE 3.05Å; I180-R190 PolarHBondContact O-NH2 2.93Å |
| 181 | D | 94.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 78.9 Ų | 78.9 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.4 | -41.5 | -175.1 | -65.7 | -23.7 | 0 | 0 | 0 | 112.6 | Q177 K179 R190 | Q177-D181 VanDerWaalsContact NE2-CG 3.34Å; Q177-D181 PolarHBondContact NE2-OD1 3.11Å; Q177-D181 PolarHBondContact NE2-OD2 3.16Å; Q177-D181 VanDerWaalsContact NE2-OD2 3.15Å; Q177-D181 VanDerWaalsContact O-CG 3.27Å; Q177-D181 PolarHBondContact O-N 2.96Å; K179-D181 VanDerWaalsContact C-N 3.33Å; K179-D181 PolarHBondContact O-N 3.06Å; D181-R190 PolarHBondContact O-NE 3.23Å; D181-R190 PolarHBondContact O-NH2 3.14Å |
| 182 | H | 94.6 | Very high | 89.6 | Confident | 69 Ų | 69 | 82.7 Ų | 82.7 | 32% | 0.319 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -106.8 | -28.2 | -169.1 | -59.6 | 94.4 | 0 | 0 | 0 | 114.3 | L12 F33 L178 P184 | L12-H182 HydrophobicContact CD1-CB 4.01Å; F33-H182 HydrophobicContact CE1-CB 3.92Å; F33-H182 HydrophobicContact CZ-CB 3.78Å; F33-H182 VanDerWaalsContact CZ-O 3.32Å; F33-H182 WeakPolarHBondContact CZ-O 3.41Å; L178-H182 WeakPolarHBondContact O-CB 3.16Å; L178-H182 PolarHBondContact O-N 2.56Å; L178-H182 PolarHBondContact O-ND1 3.35Å; H182-P184 VanDerWaalsContact O-CD 3.28Å; H182-P184 WeakPolarHBondContact O-CD 3.23Å |
| 183 | N | 91.8 | Very high | 87.5 | Confident | 13 Ų | 13 | 83.9 Ų | 83.9 | 7% | 0.07 | 43% | 0.43 | C | S | . | . | trans | -75.9 | 119.3 | -178.4 | -168.5 | -25.5 | 0 | 0 | 0 | 110.2 | F33 K179 F185 A186 R190 | F33-N183 HydrophobicContact CD1-CB 3.82Å; F33-N183 HydrophobicContact CD2-CB 4.03Å; F33-N183 HydrophobicContact CE1-CB 3.77Å; F33-N183 HydrophobicContact CE2-CB 4.01Å; F33-N183 HydrophobicContact CG-CB 3.95Å; F33-N183 WeakPolarHBondContact CG-ND2 3.33Å; F33-N183 HydrophobicContact CZ-CB 3.88Å; K179-N183 WeakPolarHBondContact O-CA 3.2Å; K179-N183 WeakPolarHBondContact O-CB 3.19Å; K179-N183 PolarHBondContact O-N 3.28Å; N183-F185 PolarHBondContact O-N 3.14Å; N183-F185 VanDerWaalsContact O-N 3.12Å; N183-F185 WeakPolarHBondContact OD1-CD2 3.36Å; N183-F185 PolarHBondContact OD1-N 3.3Å; N183-A186 HydrophobicContact CB-CB 4.13Å; N183-A186 PolarHBondContact O-N 3.03Å; N183-R190 PolarHBondContact O-NH2 3.38Å | ||
| 184 | P | 91.1 | Very high | 85.3 | Confident | 88 Ų | 88 | 84 Ų | 84 | 57% | 0.571 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -56 | -31.3 | 178.4 | -26.1 | 36 | 0 | 0 | 0 | 113.5 | H182 A186 K187 | H182-P184 VanDerWaalsContact O-CD 3.28Å; H182-P184 WeakPolarHBondContact O-CD 3.23Å; P184-A186 VanDerWaalsContact C-N 3.27Å; P184-A186 PolarHBondContact O-N 3.38Å; P184-K187 WeakPolarHBondContact O-CB 3.46Å; P184-K187 PolarHBondContact O-N 3.13Å |
| 185 | F | 88.3 | Confident | 83.1 | Confident | 168 Ų | 168 | 83.3 Ų | 83.3 | 74% | 0.737 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -78.9 | -7.1 | 179.7 | -60.4 | -78.7 | 0 | 0 | 0 | 113.9 | N183 | N183-F185 PolarHBondContact O-N 3.14Å; N183-F185 VanDerWaalsContact O-N 3.12Å; N183-F185 WeakPolarHBondContact OD1-CD2 3.36Å; N183-F185 PolarHBondContact OD1-N 3.3Å |
| 186 | A | 84.8 | Confident | 80.7 | Confident | 14 Ų | 14 | 95 Ų | 95 | 12% | 0.116 | 49% | 0.49 | C | S | . | . | G | 310 helix | trans | -104.4 | 7.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N183 P184 G188 F189 | N183-A186 HydrophobicContact CB-CB 4.13Å; N183-A186 PolarHBondContact O-N 3.03Å; P184-A186 VanDerWaalsContact C-N 3.27Å; P184-A186 PolarHBondContact O-N 3.38Å; A186-G188 PolarHBondContact O-N 3.19Å; A186-F189 HydrophobicContact CB-CD2 4.4Å; A186-F189 PolarHBondContact O-N 2.99Å |
| 187 | K | 82.4 | Confident | 78.4 | Confident | 135 Ų | 135 | 104 Ų | 104 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -52.8 | -33 | -175.9 | -177.5 | 177.6 | 177.5 | -176.9 | 0 | 114 | P184 F189 R190 | P184-K187 WeakPolarHBondContact O-CB 3.46Å; P184-K187 PolarHBondContact O-N 3.13Å; K187-F189 PolarHBondContact O-N 3.43Å; K187-R190 PolarHBondContact O-N 2.98Å |
| 188 | G | 84 | Confident | 75.9 | Confident | 70 Ų | 70 | 103 Ų | 103 | 72% | 0.722 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -67.6 | -16 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A186 | A186-G188 PolarHBondContact O-N 3.19Š|
| 189 | F | 83 | Confident | 73.3 | Confident | 162 Ų | 162 | 107 Ų | 107 | 71% | 0.711 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -94.7 | -0.7 | 179.3 | -62.5 | -81.2 | 0 | 0 | 0 | 113.6 | I180 A186 K187 | I180-F189 HydrophobicContact CD1-CB 4.12Å; I180-F189 HydrophobicContact CG1-CB 3.98Å; I180-F189 HydrophobicContact CG2-CB 3.98Å; A186-F189 HydrophobicContact CB-CD2 4.4Å; A186-F189 PolarHBondContact O-N 2.99Å; K187-F189 PolarHBondContact O-N 3.43Å |
| 190 | R | 85.7 | Confident | 70.9 | Confident | 77 Ų | 77 | 112.5 Ų | 112.5 | 29% | 0.291 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -73.1 | 144.2 | 177.4 | -62.1 | 175.9 | -171.7 | 166.2 | 3.2 | 109.6 | I180 D181 N183 K187 N192 G193 | I180-R190 HydrophobicContact CG2-CB 4.48Å; I180-R190 HydrophobicContact CG2-CG 3.76Å; I180-R190 PolarHBondContact O-NE 3.05Å; I180-R190 PolarHBondContact O-NH2 2.93Å; D181-R190 PolarHBondContact O-NE 3.23Å; D181-R190 PolarHBondContact O-NH2 3.14Å; N183-R190 PolarHBondContact O-NH2 3.38Å; K187-R190 PolarHBondContact O-N 2.98Å; R190-N192 PolarHBondContact O-N 2.87Å; R190-G193 WeakPolarHBondContact O-CA 3.37Å; R190-G193 PolarHBondContact O-N 3.36Å |
| 191 | E | 73.2 | Confident | 68.5 | Low | 204 Ų | 204 | 117.3 Ų | 117.3 | 95% | 0.953 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -26.6 | -179.7 | -67.6 | -171.3 | 155.7 | 0 | 0 | 113.3 | G193 | E191-G193 PolarHBondContact O-N 2.8Å; E191-G193 VanDerWaalsContact O-N 3.17Å |
| 192 | N | 64.1 | Low | 66 | Low | 154 Ų | 154 | 118.1 Ų | 118.1 | 82% | 0.824 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 14.9 | 175.7 | -61.2 | -11.6 | 0 | 0 | 0 | 113.8 | R190 N194 | R190-N192 PolarHBondContact O-N 2.87Å; N192-N194 PolarHBondContact O-N 2.88Å |
| 193 | G | 53.7 | Low | 63.8 | Low | 41 Ų | 41 | 122.7 Ų | 122.7 | 42% | 0.423 | 66% | 0.664 | S | S | . | * | trans | -70.1 | 31.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | R190 E191 S195 | R190-G193 WeakPolarHBondContact O-CA 3.37Å; R190-G193 PolarHBondContact O-N 3.36Å; E191-G193 PolarHBondContact O-N 2.8Å; E191-G193 VanDerWaalsContact O-N 3.17Å; G193-S195 PolarHBondContact O-N 2.97Å; G193-S195 VanDerWaalsContact O-N 3.12Å | ||
| 194 | N | 48 | Very low | 61.5 | Low | 166 Ų | 166 | 126.6 Ų | 126.6 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | trans | -80.3 | 72 | 158 | -100 | 6.5 | 0 | 0 | 0 | 108.9 | N192 | N192-N194 PolarHBondContact O-N 2.88Š| ||
| 195 | S | 51.3 | Low | 59.5 | Low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | trans | -146 | 101.4 | 172 | -77.2 | 0 | 0 | 0 | 0 | 112.2 | G193 | G193-S195 PolarHBondContact O-N 2.97Å; G193-S195 VanDerWaalsContact O-N 3.12Å | ||
| 196 | R | 47.7 | Very low | 57.9 | Low | 244 Ų | 244 | 120.7 Ų | 120.7 | 92% | 0.921 | 67% | 0.67 | S | S | * | * | trans | -25.9 | 131.7 | 166.3 | -62.4 | 169.3 | 177.2 | -174.5 | -2.4 | 115.1 | G198 | R196-G198 PolarHBondContact O-N 2.84Š| ||
| 197 | R | 45.8 | Very low | 56.5 | Low | 254 Ų | 254 | 127.2 Ų | 127.2 | 96% | 0.958 | 70% | 0.696 | S | S | * | * | trans | 8.8 | 88.6 | 154.9 | -68.2 | 177.7 | -177.8 | 169.4 | 0.1 | 115.4 | ||||
| 198 | G | 42.6 | Very low | 55.1 | Low | 73 Ų | 73 | 127.5 Ų | 127.5 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | -93.7 | 114.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | R196 | R196-G198 PolarHBondContact O-N 2.84Š| ||
| 199 | S | 42.4 | Very low | 53.8 | Low | 105 Ų | 105 | 125.6 Ų | 125.6 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 136.8 | 176.4 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | T201 | S199-T201 PolarHBondContact O-N 3.44Š|
| 200 | P | 47.1 | Very low | 52.8 | Low | 125 Ų | 125 | 119.9 Ų | 119.9 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 126.9 | 169.6 | -16.7 | 29.2 | 0 | 0 | 0 | 109.9 | ||
| 201 | T | 42.1 | Very low | 51.5 | Low | 130 Ų | 130 | 122.7 Ų | 122.7 | 80% | 0.798 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 135 | 170.7 | 45.9 | 0 | 0 | 0 | 0 | 109.9 | S199 | S199-T201 PolarHBondContact O-N 3.44Š|
| 202 | S | 42.5 | Very low | 50.5 | Low | 87 Ų | 87 | 118.2 Ų | 118.2 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | trans | -41.6 | 126.8 | -172.3 | 50.6 | 0 | 0 | 0 | 0 | 116.8 | S204 | S202-S204 VanDerWaalsContact C-N 3.31Å; S202-S204 PolarHBondContact O-N 3.19Å | ||
| 203 | E | 48.5 | Very low | 50.1 | Low | 164 Ų | 164 | 111.6 Ų | 111.6 | 77% | 0.766 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 10.3 | 177.6 | -68 | 178.5 | 152.3 | 0 | 0 | 114.7 | ||
| 204 | S | 44 | Very low | 50.1 | Low | 96 Ų | 96 | 111.7 Ų | 111.7 | 67% | 0.671 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80 | -34.1 | -173.4 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | S202 D206 | S202-S204 VanDerWaalsContact C-N 3.31Å; S202-S204 PolarHBondContact O-N 3.19Å; S204-D206 VanDerWaalsContact C-N 3.27Å; S204-D206 PolarHBondContact O-N 2.84Å |
| 205 | S | 49 | Very low | 50.2 | Low | 76 Ų | 76 | 106.7 Ų | 106.7 | 53% | 0.531 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.6 | -17.5 | 178.9 | 53 | 0 | 0 | 0 | 0 | 113.7 | ||
| 206 | D | 53.7 | Low | 50.4 | Low | 55 Ų | 55 | 105.1 Ų | 105.1 | 29% | 0.294 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78.1 | -29.8 | -173.1 | -79.4 | 12.2 | 0 | 0 | 0 | 112.1 | R31 R110 S204 D210 | R31-D206 IonicContact CZ-OD2 3.95Å; R31-D206 IonicContact NH1-OD2 3.77Å; R31-D206 IonicContact NH2-OD2 3.57Å; R31-D206 PolarHBondContact NH2-OD2 3.36Å; R110-D206 PolarHBondContact NH2-O 3.03Å; R110-D206 VanDerWaalsContact NH2-O 3.1Å; S204-D206 VanDerWaalsContact C-N 3.27Å; S204-D206 PolarHBondContact O-N 2.84Å; D206-D210 WeakPolarHBondContact O-CB 3.48Å; D206-D210 PolarHBondContact O-N 3.27Å |
| 207 | K | 55.3 | Low | 51 | Low | 152 Ų | 152 | 94.2 Ų | 94.2 | 66% | 0.661 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70 | -54.2 | -175.7 | -70.7 | -172.1 | 178.6 | -177.2 | 0 | 113.4 | A209 D210 E211 | K207-A209 PolarHBondContact O-N 3.49Å; K207-D210 WeakPolarHBondContact O-CA 3.47Å; K207-D210 WeakPolarHBondContact O-CB 3.2Å; K207-D210 PolarHBondContact O-N 2.78Å; K207-E211 PolarHBondContact O-N 2.98Å |
| 208 | E | 52.9 | Low | 52 | Low | 140 Ų | 140 | 88 Ų | 88 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61 | -39.5 | -179.7 | -174.5 | 175.7 | -176.6 | 0 | 0 | 111 | D210 E211 L212 | E208-D210 VanDerWaalsContact C-N 3.34Å; E208-E211 PolarHBondContact O-N 2.93Å; E208-L212 PolarHBondContact O-N 2.91Å; E208-L212 VanDerWaalsContact O-N 3.1Å |
| 209 | A | 57.5 | Low | 52.9 | Low | 31 Ų | 31 | 92.4 Ų | 92.4 | 26% | 0.256 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.5 | -29.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | R110 K207 I213 | R110-A209 VanDerWaalsContact NH1-CB 3.26Å; R110-A209 PolarHBondContact NH2-O 3.02Å; K207-A209 PolarHBondContact O-N 3.49Å; A209-I213 WeakPolarHBondContact O-CD1 3.45Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 3.4Å |
| 210 | D | 62.9 | Low | 53.9 | Low | 41 Ų | 41 | 88 Ų | 88 | 22% | 0.219 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 174.9 | -83.3 | -3.8 | 0 | 0 | 0 | 109.5 | R110 K112 D206 K207 E208 I213 Q214 | R110-D210 IonicContact CZ-OD1 2.86Å; R110-D210 IonicContact NE-OD1 3.6Å; R110-D210 PolarHBondContact NE-OD1 2.92Å; R110-D210 IonicContact NH2-OD1 3Å; R110-D210 PolarHBondContact NH2-OD1 3.24Å; K112-D210 IonicContact NZ-OD2 3.69Å; K112-D210 PolarHBondContact NZ-OD2 3.1Å; D206-D210 WeakPolarHBondContact O-CB 3.48Å; D206-D210 PolarHBondContact O-N 3.27Å; K207-D210 WeakPolarHBondContact O-CA 3.47Å; K207-D210 WeakPolarHBondContact O-CB 3.2Å; K207-D210 PolarHBondContact O-N 2.78Å; E208-D210 VanDerWaalsContact C-N 3.34Å; D210-I213 PolarHBondContact O-N 2.83Å; D210-Q214 PolarHBondContact O-N 3.3Å |
| 211 | E | 57.8 | Low | 54.8 | Low | 137 Ų | 137 | 83.3 Ų | 83.3 | 64% | 0.64 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 176.1 | -72.5 | 177 | -172.4 | 0 | 0 | 112.9 | K207 E208 I213 Q214 C215 | K207-E211 PolarHBondContact O-N 2.98Å; E208-E211 PolarHBondContact O-N 2.93Å; E211-I213 VanDerWaalsContact C-N 3.34Å; E211-I213 PolarHBondContact O-N 2.88Å; E211-Q214 PolarHBondContact O-N 2.87Å; E211-C215 PolarHBondContact O-N 3.42Å |
| 212 | L | 51.5 | Low | 55.8 | Low | 110 Ų | 110 | 83.5 Ų | 83.5 | 58% | 0.576 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.5 | -38.8 | 176.2 | -74.9 | 171 | 0 | 0 | 0 | 112.3 | E208 Q214 N216 | E208-L212 PolarHBondContact O-N 2.91Å; E208-L212 VanDerWaalsContact O-N 3.1Å; L212-Q214 VanDerWaalsContact C-N 3.33Å; L212-N216 WeakPolarHBondContact O-CB 3.5Å; L212-N216 PolarHBondContact O-N 3.25Å; L212-N216 VanDerWaalsContact O-N 3.09Å |
| 213 | I | 55.1 | Low | 56.5 | Low | 15 Ų | 15 | 84.7 Ų | 84.7 | 8% | 0.077 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 173.4 | -70.2 | 161.7 | 0 | 0 | 0 | 109.9 | Y89 P92 R110 A209 D210 E211 N216 S217 | Y89-I213 HydrophobicContact CE2-CG2 4.38Å; P92-I213 HydrophobicContact CB-CD1 3.69Å; P92-I213 HydrophobicContact CB-CG1 3.66Å; P92-I213 HydrophobicContact CG-CD1 3.44Å; P92-I213 VanDerWaalsContact CG-CD1 3.44Å; P92-I213 HydrophobicContact CG-CG1 3.84Å; R110-I213 VanDerWaalsContact NH1-CD1 3.26Å; A209-I213 WeakPolarHBondContact O-CD1 3.45Å; A209-I213 WeakPolarHBondContact O-CG1 3.48Å; A209-I213 PolarHBondContact O-N 3.4Å; D210-I213 PolarHBondContact O-N 2.83Å; E211-I213 VanDerWaalsContact C-N 3.34Å; E211-I213 PolarHBondContact O-N 2.88Å; I213-N216 PolarHBondContact O-N 3.17Å; I213-S217 WeakPolarHBondContact O-CB 3.4Å; I213-S217 PolarHBondContact O-N 3.03Å; I213-S217 PolarHBondContact O-OG 2.75Å |
| 214 | Q | 55.5 | Low | 57.1 | Low | 43 Ų | 43 | 77.3 Ų | 77.3 | 20% | 0.201 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.9 | -50.4 | -178.4 | -175.4 | 172.4 | -5.8 | 0 | 0 | 111.2 | D120 D210 E211 L212 N216 S217 E218 | D120-Q214 PolarHBondContact O-NE2 3.26Å; D210-Q214 PolarHBondContact O-N 3.3Å; E211-Q214 PolarHBondContact O-N 2.87Å; L212-Q214 VanDerWaalsContact C-N 3.33Å; Q214-N216 VanDerWaalsContact C-N 3.34Å; Q214-N216 PolarHBondContact O-N 3.48Å; Q214-S217 WeakPolarHBondContact CA-OG 3.48Å; Q214-S217 PolarHBondContact O-N 3.47Å; Q214-S217 VanDerWaalsContact O-N 3.09Å; Q214-S217 PolarHBondContact O-OG 3.36Å; Q214-E218 PolarHBondContact O-N 3.16Å |
| 215 | C | 49.7 | Very low | 58 | Low | 60 Ų | 60 | 75.5 Ų | 75.5 | 41% | 0.405 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 178.2 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | E211 R219 | E211-C215 PolarHBondContact O-N 3.42Å; C215-R219 PolarHBondContact O-N 2.97Å |
| 216 | N | 54.2 | Low | 58.4 | Low | 70 Ų | 70 | 76.9 Ų | 76.9 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.9 | -37.8 | 175.7 | -81.4 | -4.3 | 0 | 0 | 0 | 111.9 | L212 I213 Q214 E218 R219 L220 | L212-N216 WeakPolarHBondContact O-CB 3.5Å; L212-N216 PolarHBondContact O-N 3.25Å; L212-N216 VanDerWaalsContact O-N 3.09Å; I213-N216 PolarHBondContact O-N 3.17Å; Q214-N216 VanDerWaalsContact C-N 3.34Å; Q214-N216 PolarHBondContact O-N 3.48Å; N216-E218 PolarHBondContact O-N 2.93Å; N216-R219 PolarHBondContact O-N 2.73Å; N216-L220 WeakPolarHBondContact O-CB 3.49Å; N216-L220 WeakPolarHBondContact O-CG 3.44Å; N216-L220 PolarHBondContact O-N 3.46Å |
| 217 | S | 61.6 | Low | 58.4 | Low | 15 Ų | 15 | 76.2 Ų | 76.2 | 11% | 0.105 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 179.3 | 78.2 | 0 | 0 | 0 | 0 | 112 | I213 Q214 A221 | I213-S217 WeakPolarHBondContact O-CB 3.4Å; I213-S217 PolarHBondContact O-N 3.03Å; I213-S217 PolarHBondContact O-OG 2.75Å; Q214-S217 WeakPolarHBondContact CA-OG 3.48Å; Q214-S217 PolarHBondContact O-N 3.47Å; Q214-S217 VanDerWaalsContact O-N 3.09Å; Q214-S217 PolarHBondContact O-OG 3.36Å; S217-A221 WeakPolarHBondContact O-CA 3.45Å; S217-A221 WeakPolarHBondContact O-CB 3.44Å; S217-A221 PolarHBondContact O-N 2.81Å |
| 218 | E | 66 | Low | 58.1 | Low | 124 Ų | 124 | 69.9 Ų | 69.9 | 58% | 0.579 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.2 | -44.5 | 178.3 | -71.8 | -176.6 | 175.6 | 0 | 0 | 111.7 | Q214 N216 A221 F222 | Q214-E218 PolarHBondContact O-N 3.16Å; N216-E218 PolarHBondContact O-N 2.93Å; E218-A221 PolarHBondContact O-N 3.46Å; E218-F222 VanDerWaalsContact O-CB 3.32Å; E218-F222 WeakPolarHBondContact O-CB 3.4Å; E218-F222 PolarHBondContact O-N 2.97Å |
| 219 | R | 60.8 | Low | 57.8 | Low | 165 Ų | 165 | 67.9 Ų | 67.9 | 62% | 0.623 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.8 | -47.2 | 175 | -73 | -178 | 173.6 | -173.3 | -0.4 | 111.4 | C215 N216 F222 F223 | C215-R219 PolarHBondContact O-N 2.97Å; N216-R219 PolarHBondContact O-N 2.73Å; R219-F222 WeakPolarHBondContact O-CB 3.21Å; R219-F222 PolarHBondContact O-N 2.68Å; R219-F223 WeakPolarHBondContact O-CD2 3.38Å; R219-F223 PolarHBondContact O-N 3.37Å |
| 220 | L | 65.3 | Low | 57 | Low | 12 Ų | 12 | 71.6 Ų | 71.6 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.2 | -36.7 | 179.8 | -73.5 | 174.6 | 0 | 0 | 0 | 112.4 | A50 F52 A90 L141 N216 F223 F224 | A50-L220 HydrophobicContact CB-CD1 4.33Å; A50-L220 HydrophobicContact CB-CD2 3.97Å; F52-L220 HydrophobicContact CE1-CB 3.62Å; F52-L220 HydrophobicContact CZ-CB 3.74Å; A90-L220 HydrophobicContact CB-CD1 4.11Å; L141-L220 HydrophobicContact CD1-CD2 4.24Å; N216-L220 WeakPolarHBondContact O-CB 3.49Å; N216-L220 WeakPolarHBondContact O-CG 3.44Å; N216-L220 PolarHBondContact O-N 3.46Å; L220-F223 PolarHBondContact O-N 3.35Å; L220-F224 VanDerWaalsContact O-CB 3.32Å; L220-F224 WeakPolarHBondContact O-CB 3.46Å; L220-F224 PolarHBondContact O-N 2.81Å |
| 221 | A | 64.7 | Low | 56 | Low | 27 Ų | 27 | 72.7 Ų | 72.7 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S217 E218 F224 A225 | S217-A221 WeakPolarHBondContact O-CA 3.45Å; S217-A221 WeakPolarHBondContact O-CB 3.44Å; S217-A221 PolarHBondContact O-N 2.81Å; E218-A221 PolarHBondContact O-N 3.46Å; A221-F224 WeakPolarHBondContact O-CB 3.3Å; A221-F224 PolarHBondContact O-N 3.28Å; A221-A225 VanDerWaalsContact O-CB 3.31Å; A221-A225 WeakPolarHBondContact O-CB 3.25Å; A221-A225 PolarHBondContact O-N 3.45Å |
| 222 | F | 62.6 | Low | 55.5 | Low | 134 Ų | 134 | 69.7 Ų | 69.7 | 59% | 0.588 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 170.5 | 177.4 | -98.2 | 0 | 0 | 0 | 111.3 | E218 R219 F224 A225 N226 | E218-F222 VanDerWaalsContact O-CB 3.32Å; E218-F222 WeakPolarHBondContact O-CB 3.4Å; E218-F222 PolarHBondContact O-N 2.97Å; R219-F222 WeakPolarHBondContact O-CB 3.21Å; R219-F222 PolarHBondContact O-N 2.68Å; F222-F224 VanDerWaalsContact C-N 3.31Å; F222-F224 PolarHBondContact O-N 3.35Å; F222-A225 PolarHBondContact O-N 2.91Å; F222-N226 WeakPolarHBondContact CD1-ND2 3.42Å; F222-N226 WeakPolarHBondContact CE1-ND2 3.34Å; F222-N226 VanDerWaalsContact CE2-ND2 3.26Å; F222-N226 WeakPolarHBondContact CE2-ND2 3.45Å; F222-N226 WeakPolarHBondContact CZ-ND2 3.43Å; F222-N226 WeakPolarHBondContact O-CB 3.48Å; F222-N226 PolarHBondContact O-N 2.95Å; F222-N226 PolarHBondContact O-ND2 3.19Å |
| 223 | F | 58.4 | Low | 55.3 | Low | 112 Ų | 112 | 65.3 Ų | 65.3 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 173.1 | -76.2 | -64.4 | 0 | 0 | 0 | 111.6 | R219 L220 N226 T227 | R219-F223 WeakPolarHBondContact O-CD2 3.38Å; R219-F223 PolarHBondContact O-N 3.37Å; L220-F223 PolarHBondContact O-N 3.35Å; F223-N226 PolarHBondContact O-N 2.91Å; F223-T227 VanDerWaalsContact O-CB 3.23Å; F223-T227 WeakPolarHBondContact O-CB 3.32Å; F223-T227 PolarHBondContact O-N 3.27Å; F223-T227 PolarHBondContact O-OG1 2.76Å |
| 224 | F | 60.7 | Low | 54.8 | Low | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.035 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 178.2 | -175.5 | -100.9 | 0 | 0 | 0 | 112.4 | F52 L88 T137 V139 L220 A221 F222 N226 T227 L228 A233 | F52-F224 HydrophobicContact CD2-CD2 4.35Å; F52-F224 HydrophobicContact CE2-CD2 4.18Å; F52-F224 HydrophobicContact CZ-CB 4.38Å; L88-F224 HydrophobicContact CD1-CB 4.46Å; L88-F224 HydrophobicContact CD1-CD1 3.15Å; L88-F224 HydrophobicContact CD1-CE1 3.47Å; L88-F224 VanDerWaalsContact CD1-CE1 3.47Å; L88-F224 HydrophobicContact CD1-CG 3.97Å; L88-F224 HydrophobicContact CD2-CE1 4.32Å; T137-F224 HydrophobicContact CG2-CE2 3.41Å; T137-F224 VanDerWaalsContact CG2-CE2 3.41Å; T137-F224 HydrophobicContact CG2-CZ 3.76Å; V139-F224 HydrophobicContact CG2-CD2 3.74Å; V139-F224 HydrophobicContact CG2-CE2 3.72Å; L220-F224 VanDerWaalsContact O-CB 3.32Å; L220-F224 WeakPolarHBondContact O-CB 3.46Å; L220-F224 PolarHBondContact O-N 2.81Å; A221-F224 WeakPolarHBondContact O-CB 3.3Å; A221-F224 PolarHBondContact O-N 3.28Å; F222-F224 VanDerWaalsContact C-N 3.31Å; F222-F224 PolarHBondContact O-N 3.35Å; F224-N226 VanDerWaalsContact C-N 3.29Å; F224-N226 PolarHBondContact O-N 2.86Å; F224-T227 PolarHBondContact O-N 2.89Å; F224-T227 VanDerWaalsContact O-N 3.12Å; F224-L228 HydrophobicContact CD2-CD1 4.4Å; F224-L228 HydrophobicContact CE1-CD1 3.9Å; F224-L228 HydrophobicContact CE2-CD1 3.57Å; F224-L228 HydrophobicContact CE2-CG 4.44Å; F224-L228 HydrophobicContact CZ-CD1 3.31Å; F224-L228 HydrophobicContact CZ-CG 4.47Å; F224-L228 PolarHBondContact O-N 2.63Å; F224-A233 HydrophobicContact CE1-CB 3.84Å; F224-A233 HydrophobicContact CZ-CB 4.32Å |
| 225 | A | 62 | Low | 54.3 | Low | 58 Ų | 58 | 70.6 Ų | 70.6 | 48% | 0.479 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -32.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A221 F222 | A221-A225 VanDerWaalsContact O-CB 3.31Å; A221-A225 WeakPolarHBondContact O-CB 3.25Å; A221-A225 PolarHBondContact O-N 3.45Å; F222-A225 PolarHBondContact O-N 2.91Å |
| 226 | N | 58.3 | Low | 54 | Low | 106 Ų | 106 | 73.3 Ų | 73.3 | 57% | 0.567 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -81.5 | -21.2 | 174.7 | -69.8 | -41.6 | 0 | 0 | 0 | 113.4 | F222 F223 F224 | F222-N226 WeakPolarHBondContact CD1-ND2 3.42Å; F222-N226 WeakPolarHBondContact CE1-ND2 3.34Å; F222-N226 VanDerWaalsContact CE2-ND2 3.26Å; F222-N226 WeakPolarHBondContact CE2-ND2 3.45Å; F222-N226 WeakPolarHBondContact CZ-ND2 3.43Å; F222-N226 WeakPolarHBondContact O-CB 3.48Å; F222-N226 PolarHBondContact O-N 2.95Å; F222-N226 PolarHBondContact O-ND2 3.19Å; F223-N226 PolarHBondContact O-N 2.91Å; F224-N226 VanDerWaalsContact C-N 3.29Å; F224-N226 PolarHBondContact O-N 2.86Å |
| 227 | T | 53.8 | Low | 53.7 | Low | 40 Ų | 40 | 73.1 Ų | 73.1 | 25% | 0.245 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -81.8 | -41.4 | 179 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | S151 F223 F224 | S151-T227 VanDerWaalsContact C-CG2 3.49Å; S151-T227 WeakPolarHBondContact CB-OG1 3.37Å; S151-T227 WeakPolarHBondContact O-CG2 3.43Å; F223-T227 VanDerWaalsContact O-CB 3.23Å; F223-T227 WeakPolarHBondContact O-CB 3.32Å; F223-T227 PolarHBondContact O-N 3.27Å; F223-T227 PolarHBondContact O-OG1 2.76Å; F224-T227 PolarHBondContact O-N 2.89Å; F224-T227 VanDerWaalsContact O-N 3.12Å |
| 228 | L | 49.8 | Very low | 52.9 | Low | 20 Ų | 20 | 80.8 Ų | 80.8 | 11% | 0.105 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -97.9 | 101.2 | 171.8 | -66.1 | 176.8 | 0 | 0 | 0 | 107.6 | L153 F224 T230 A233 | L153-L228 HydrophobicContact CB-CD2 4.09Å; L153-L228 HydrophobicContact CD2-CD1 4.32Å; L153-L228 HydrophobicContact CD2-CD2 4.2Å; F224-L228 HydrophobicContact CD2-CD1 4.4Å; F224-L228 HydrophobicContact CE1-CD1 3.9Å; F224-L228 HydrophobicContact CE2-CD1 3.57Å; F224-L228 HydrophobicContact CE2-CG 4.44Å; F224-L228 HydrophobicContact CZ-CD1 3.31Å; F224-L228 HydrophobicContact CZ-CG 4.47Å; F224-L228 PolarHBondContact O-N 2.63Å; L228-T230 PolarHBondContact O-N 2.89Å; L228-T230 VanDerWaalsContact O-N 3.12Å; L228-A233 HydrophobicContact CB-CB 4.43Å; L228-A233 HydrophobicContact CD1-CB 3.93Å |
| 229 | S | 45.6 | Very low | 51.6 | Low | 98 Ų | 98 | 79.4 Ų | 79.4 | 69% | 0.685 | 43% | 0.432 | S | S | * | . | trans | -40.2 | 127 | 156.4 | 174.5 | 0 | 0 | 0 | 0 | 107.4 | A231 T232 | S229-A231 PolarHBondContact O-N 3.34Å; S229-T232 PolarHBondContact O-N 2.87Å | ||
| 230 | T | 41.2 | Very low | 50.5 | Low | 108 Ų | 108 | 82.8 Ų | 82.8 | 66% | 0.663 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -8.4 | -159.3 | -32.6 | 0 | 0 | 0 | 0 | 115.6 | L228 L234 | L228-T230 PolarHBondContact O-N 2.89Å; L228-T230 VanDerWaalsContact O-N 3.12Å; T230-L234 HydrophobicContact CG2-CD1 4.1Å |
| 231 | A | 41.6 | Very low | 49.8 | Very low | 65 Ų | 65 | 86.4 Ų | 86.4 | 54% | 0.537 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -21.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | S229 L235 | S229-A231 PolarHBondContact O-N 3.34Å; A231-L235 WeakPolarHBondContact O-CD1 3.37Å; A231-L235 WeakPolarHBondContact O-CG 3.31Å |
| 232 | T | 47.7 | Very low | 49 | Very low | 73 Ų | 73 | 89.5 Ų | 89.5 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -103.7 | -29.4 | -176.3 | -48.6 | 0 | 0 | 0 | 0 | 114.1 | S229 L234 | S229-T232 PolarHBondContact O-N 2.87Å; T232-L234 PolarHBondContact O-N 3.07Å |
| 233 | A | 46 | Very low | 48.3 | Very low | 18 Ų | 18 | 87 Ų | 87 | 15% | 0.149 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -23.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R156 F224 L228 | R156-A233 PolarHBondContact NH1-O 3.21Å; R156-A233 PolarHBondContact NH2-O 3.41Å; F224-A233 HydrophobicContact CE1-CB 3.84Å; F224-A233 HydrophobicContact CZ-CB 4.32Å; L228-A233 HydrophobicContact CB-CB 4.43Å; L228-A233 HydrophobicContact CD1-CB 3.93Å |
| 234 | L | 45 | Very low | 47.7 | Very low | 62 Ų | 62 | 85.5 Ų | 85.5 | 33% | 0.325 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 0.6 | -165.6 | -63.8 | 169.8 | 0 | 0 | 0 | 114.4 | M56 P83 T230 T232 | M56-L234 HydrophobicContact CE-CD2 4.49Å; P83-L234 HydrophobicContact CB-CD1 3.52Å; P83-L234 HydrophobicContact CB-CD2 3.83Å; P83-L234 HydrophobicContact CB-CG 4.16Å; P83-L234 HydrophobicContact CG-CD1 4.48Å; T230-L234 HydrophobicContact CG2-CD1 4.1Å; T232-L234 PolarHBondContact O-N 3.07Å |
| 235 | L | 45.3 | Very low | 46.9 | Very low | 107 Ų | 107 | 90.4 Ų | 90.4 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -61.5 | 141 | 174.4 | -69.1 | 170.9 | 0 | 0 | 0 | 109.7 | A231 F237 | A231-L235 WeakPolarHBondContact O-CD1 3.37Å; A231-L235 WeakPolarHBondContact O-CG 3.31Å; L235-F237 PolarHBondContact O-N 3.43Å |
| 236 | P | 42.7 | Very low | 45.9 | Very low | 117 Ų | 117 | 92.5 Ų | 92.5 | 76% | 0.76 | 51% | 0.512 | S | S | * | . | trans | -50 | 125.5 | 168.4 | -21.9 | 31.1 | 0 | 0 | 0 | 109 | E238 | P236-E238 PolarHBondContact O-N 3.21Š| ||
| 237 | F | 49.3 | Very low | 45 | Very low | 67 Ų | 67 | 91.6 Ų | 91.6 | 29% | 0.294 | 51% | 0.508 | S | S | . | . | trans | -81.5 | 115.1 | 175.1 | -176.7 | -94.9 | 0 | 0 | 0 | 107.8 | S158 L235 F239 | S158-F237 VanDerWaalsContact CB-CE1 3.49Å; L235-F237 PolarHBondContact O-N 3.43Å; F237-F239 HydrophobicContact CD1-CD1 4.28Å; F237-F239 AromaticContact CE1-CD1 3.97Å; F237-F239 HydrophobicContact CE1-CD1 3.97Å; F237-F239 HydrophobicContact CE1-CG 4.45Å | ||
| 238 | E | 43.4 | Very low | 44.3 | Very low | 175 Ų | 175 | 95.5 Ų | 95.5 | 82% | 0.818 | 53% | 0.528 | S | S | * | . | trans | -79.9 | 129.8 | 164.3 | -65.8 | -173.1 | 164.5 | 0 | 0 | 107.8 | P236 E240 | P236-E238 PolarHBondContact O-N 3.21Å; E238-E240 PolarHBondContact O-N 2.85Å | ||
| 239 | F | 40.6 | Very low | 43.8 | Very low | 95 Ų | 95 | 101.8 Ų | 101.8 | 42% | 0.417 | 56% | 0.564 | S | S | . | * | trans | -66.5 | 119.2 | 173.1 | -66.1 | -80 | 0 | 0 | 0 | 108.6 | A133 P160 F237 | A133-F239 HydrophobicContact CB-CZ 4.13Å; P160-F239 HydrophobicContact CB-CD1 4.04Å; P160-F239 HydrophobicContact CB-CE1 3.95Å; P160-F239 HydrophobicContact CG-CD1 3.49Å; P160-F239 VanDerWaalsContact CG-CD1 3.49Å; P160-F239 HydrophobicContact CG-CE1 3.86Å; P160-F239 HydrophobicContact CG-CG 4.18Å; F237-F239 HydrophobicContact CD1-CD1 4.28Å; F237-F239 AromaticContact CE1-CD1 3.97Å; F237-F239 HydrophobicContact CE1-CD1 3.97Å; F237-F239 HydrophobicContact CE1-CG 4.45Å | ||
| 240 | E | 37.6 | Very low | 43.7 | Very low | 237 Ų | 237 | 102.2 Ų | 102.2 | 100% | 1.107 | 55% | 0.552 | S | S | * | * | trans | -70.9 | 0 | 163.3 | -74.1 | -179.4 | 162.6 | 0 | 0 | 110.9 | E238 | E238-E240 PolarHBondContact O-N 2.85Š|
Retrieved 240 of 240 residues in 110.7 ms
(Link to these results)