| 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 | 38.2 | Very low | 67.6 | Low | 233 Ų | 233 | 88.1 Ų | 88.1 | 100% | 1.148 | 48% | 0.48 | S | S | * | . | 0 | 124.2 | 0 | -76.9 | -171.5 | -93.1 | 0 | 0 | 107.2 | I3 | M1-I3 PolarHBondContact O-N 3.32Š| |||
| 2 | S | 40.2 | Very low | 68.1 | Low | 109 Ų | 109 | 89.9 Ų | 89.9 | 76% | 0.762 | 49% | 0.489 | S | S | * | . | trans | -60 | 119 | 173.7 | 175.5 | 0 | 0 | 0 | 0 | 107.9 | T4 | S2-T4 VanDerWaalsContact C-N 3.3Å; S2-T4 PolarHBondContact O-N 3.29Å | ||
| 3 | I | 45.5 | Very low | 69.1 | Low | 149 Ų | 149 | 83.8 Ų | 83.8 | 76% | 0.764 | 46% | 0.457 | S | S | * | . | trans | -75.1 | 91.1 | 176.7 | -57.8 | 172.2 | 0 | 0 | 0 | 106.2 | M1 N5 | M1-I3 PolarHBondContact O-N 3.32Å; I3-N5 PolarHBondContact O-N 3.22Å | ||
| 4 | T | 64.5 | Low | 69.9 | Low | 66 Ų | 66 | 86.6 Ų | 86.6 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -70 | 122.4 | 164.9 | 32.3 | 0 | 0 | 0 | 0 | 107.9 | S2 F150 | S2-T4 VanDerWaalsContact C-N 3.3Å; S2-T4 PolarHBondContact O-N 3.29Å; T4-F150 WeakPolarHBondContact O-CD1 3.39Å; T4-F150 VanDerWaalsContact O-CE1 3.3Å; T4-F150 WeakPolarHBondContact O-CE1 3.46Å |
| 5 | N | 75.8 | Confident | 71.2 | Confident | 118 Ų | 118 | 83.7 Ų | 83.7 | 63% | 0.631 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 145.1 | 172.9 | -71.5 | -34.4 | 0 | 0 | 0 | 109.9 | I3 | I3-N5 PolarHBondContact O-N 3.22Š|
| 6 | P | 80.4 | Confident | 72.5 | Confident | 46 Ų | 46 | 85.1 Ų | 85.1 | 30% | 0.299 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 137.9 | 174.3 | 27 | -32.2 | 0 | 0 | 0 | 110.3 | T9 F149 F150 | P6-T9 WeakPolarHBondContact CG-OG1 3.46Å; P6-F149 CarbonylContact C-O 3.56Å; P6-F149 VanDerWaalsContact C-O 3.31Å; P6-F149 WeakPolarHBondContact CA-O 3.21Å; P6-F149 WeakPolarHBondContact CB-O 3.45Å; P6-F150 HydrophobicContact CB-CD1 4.07Å; P6-F150 HydrophobicContact CB-CD2 4.46Å; P6-F150 HydrophobicContact CB-CE1 3.8Å; P6-F150 HydrophobicContact CB-CE2 4.19Å; P6-F150 HydrophobicContact CB-CG 4.4Å; P6-F150 HydrophobicContact CB-CZ 3.86Å; P6-F150 HydrophobicContact CG-CE1 4.12Å; P6-F150 HydrophobicContact CG-CZ 4.2Å |
| 7 | K | 82 | Confident | 73.4 | Confident | 73 Ų | 73 | 80.9 Ų | 80.9 | 32% | 0.317 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -71.1 | -21.7 | 171.7 | 66.7 | 167 | -176.5 | 174.3 | 0 | 112.6 | L22 G24 E29 F149 | K7-L22 PolarHBondContact NZ-O 3.34Å; K7-G24 PolarHBondContact NZ-O 3.28Å; K7-E29 WeakPolarHBondContact CE-OE1 3.43Å; K7-E29 IonicContact NZ-OE1 3.98Å; K7-E29 PolarHBondContact NZ-OE1 3.22Å; K7-E29 IonicContact NZ-OE2 3.06Å; K7-E29 PolarHBondContact NZ-OE2 3.4Å; K7-F149 HydrophobicContact CG-CB 4Å; K7-F149 WeakPolarHBondContact CG-O 3.5Å; K7-F149 PolarHBondContact N-O 2.63Å |
| 8 | Q | 82.5 | Confident | 74.2 | Confident | 24 Ų | 24 | 77.9 Ų | 77.9 | 11% | 0.112 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 137.1 | 178.6 | 177.9 | -173.9 | -5.1 | 0 | 0 | 108.6 | T20 L22 F149 | Q8-T20 PolarHBondContact NE2-O 3.41Å; Q8-T20 PolarHBondContact OE1-O 2.93Å; Q8-L22 HydrophobicContact CB-CD1 4.31Å; Q8-L22 HydrophobicContact CG-CD1 4.13Å; Q8-L22 HydrophobicContact CG-CG 4.37Å; Q8-F149 HydrophobicContact CB-CB 4.15Å; Q8-F149 HydrophobicContact CB-CD2 3.76Å; Q8-F149 HydrophobicContact CB-CG 4.29Å; Q8-F149 HydrophobicContact CG-CD2 3.81Å; Q8-F149 HydrophobicContact CG-CE2 4.21Å; Q8-F149 PolarHBondContact O-N 3.46Å |
| 9 | T | 80.8 | Confident | 74.6 | Confident | 48 Ų | 48 | 73.9 Ų | 73.9 | 29% | 0.294 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 139.7 | 176.2 | -60.7 | 0 | 0 | 0 | 0 | 110.3 | P6 L11 I147 | P6-T9 WeakPolarHBondContact CG-OG1 3.46Å; T9-L11 HydrophobicContact CG2-CD2 3.76Å; T9-L11 HydrophobicContact CG2-CG 4.12Å; T9-I147 CarbonylContact C-O 3.51Å; T9-I147 VanDerWaalsContact CA-O 3.31Å; T9-I147 WeakPolarHBondContact CA-O 3.02Å |
| 10 | V | 76.6 | Confident | 75 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 9% | 0.085 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.8 | 172.3 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | P13 F17 A146 I147 | V10-P13 HydrophobicContact CG1-CB 3.99Å; V10-P13 HydrophobicContact CG1-CG 4.26Å; V10-F17 HydrophobicContact CG1-CE2 3.91Å; V10-F17 HydrophobicContact CG1-CZ 4.07Å; V10-F17 HydrophobicContact CG2-CZ 4.18Å; V10-A146 CarbonylContact O-C 3.13Å; V10-A146 WeakPolarHBondContact O-CA 3.33Å; V10-I147 HydrophobicContact CB-CB 4.19Å; V10-I147 PolarHBondContact N-O 2.85Å; V10-I147 PolarHBondContact O-N 2.84Å |
| 11 | L | 77.6 | Confident | 75.5 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 47% | 0.466 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.2 | 179.9 | -59 | -179.5 | 0 | 0 | 0 | 111 | T9 P13 A146 | T9-L11 HydrophobicContact CG2-CD2 3.76Å; T9-L11 HydrophobicContact CG2-CG 4.12Å; L11-P13 VanDerWaalsContact C-CD 3.48Å; L11-A146 HydrophobicContact CD2-CB 4Å |
| 12 | N | 72.9 | Confident | 77.2 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 44.1 | 51.5 | 176.6 | -54.6 | -62.7 | 0 | 0 | 0 | 114.1 | Q145 | N12-Q145 PolarHBondContact N-O 3.41Š|
| 13 | P | 81.3 | Confident | 79 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 7% | 0.071 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 139.2 | 178.8 | 28.4 | -33.8 | 0 | 0 | 0 | 111.3 | V10 L11 F17 V144 I147 | V10-P13 HydrophobicContact CG1-CB 3.99Å; V10-P13 HydrophobicContact CG1-CG 4.26Å; L11-P13 VanDerWaalsContact C-CD 3.48Å; P13-F17 HydrophobicContact CB-CB 4.22Å; P13-F17 HydrophobicContact CB-CD2 3.41Å; P13-F17 VanDerWaalsContact CB-CD2 3.41Å; P13-F17 HydrophobicContact CB-CE2 3.89Å; P13-F17 HydrophobicContact CB-CG 3.89Å; P13-F17 HydrophobicContact CG-CD2 4.38Å; P13-F17 HydrophobicContact CG-CG 4.48Å; P13-V144 HydrophobicContact CG-CB 3.94Å; P13-V144 HydrophobicContact CG-CG1 3.72Å; P13-I147 HydrophobicContact CG-CD1 4.03Å |
| 14 | T | 80.9 | Confident | 80.9 | Confident | 123 Ų | 123 | 49.2 Ų | 49.2 | 76% | 0.755 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -65 | 137.9 | 168 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | P16 F17 | T14-P16 CarbonylContact O-C 3.56Å; T14-P16 VanDerWaalsContact O-C 3.28Å; T14-P16 VanDerWaalsContact O-O 3.08Å; T14-F17 WeakPolarHBondContact O-CB 3.46Å; T14-F17 PolarHBondContact O-N 3.22Å |
| 15 | I | 89.1 | Confident | 82 | Confident | 42 Ų | 42 | 46 Ų | 46 | 22% | 0.215 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -103.4 | 129 | 177 | -57 | -55 | 0 | 0 | 0 | 108.9 | F17 I138 G140 V142 V144 | I15-F17 HydrophobicContact CD1-CB 3.8Å; I15-I138 HydrophobicContact CD1-CB 4.13Å; I15-I138 HydrophobicContact CD1-CG2 3.98Å; I15-G140 WeakPolarHBondContact CG2-O 3.26Å; I15-V142 HydrophobicContact CG1-CG1 4.45Å; I15-V142 HydrophobicContact CG2-CG1 4.32Å; I15-V144 HydrophobicContact CD1-CB 4.26Å; I15-V144 HydrophobicContact CD1-CG2 3.9Å; I15-V144 HydrophobicContact CG1-CG2 4.43Å |
| 16 | P | 91.8 | Very high | 82.6 | Confident | 106 Ų | 106 | 44.3 Ų | 44.3 | 69% | 0.688 | 27% | 0.269 | S | S | * | . | S | Bend | cis | -70.7 | 141 | 6.8 | 30.9 | -35.8 | 0 | 0 | 0 | 113.3 | T14 I138 | T14-P16 CarbonylContact O-C 3.56Å; T14-P16 VanDerWaalsContact O-C 3.28Å; T14-P16 VanDerWaalsContact O-O 3.08Å; P16-I138 CarbonylContact C-O 3.58Å; P16-I138 WeakPolarHBondContact CA-O 3.4Å |
| 17 | F | 87.6 | Confident | 83.2 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.6 | 176.8 | 172.9 | -102.5 | 0 | 0 | 0 | 109.4 | V10 P13 T14 I15 A137 I138 I147 | V10-F17 HydrophobicContact CG1-CE2 3.91Å; V10-F17 HydrophobicContact CG1-CZ 4.07Å; V10-F17 HydrophobicContact CG2-CZ 4.18Å; P13-F17 HydrophobicContact CB-CB 4.22Å; P13-F17 HydrophobicContact CB-CD2 3.41Å; P13-F17 VanDerWaalsContact CB-CD2 3.41Å; P13-F17 HydrophobicContact CB-CE2 3.89Å; P13-F17 HydrophobicContact CB-CG 3.89Å; P13-F17 HydrophobicContact CG-CD2 4.38Å; P13-F17 HydrophobicContact CG-CG 4.48Å; T14-F17 WeakPolarHBondContact O-CB 3.46Å; T14-F17 PolarHBondContact O-N 3.22Å; I15-F17 HydrophobicContact CD1-CB 3.8Å; F17-A137 CarbonylContact O-C 3.52Å; F17-A137 WeakPolarHBondContact O-CA 3.47Å; F17-I138 HydrophobicContact CB-CB 4.41Å; F17-I138 HydrophobicContact CD1-CG1 4.42Å; F17-I138 PolarHBondContact N-O 3.28Å; F17-I138 PolarHBondContact O-N 2.8Å; F17-I147 HydrophobicContact CD1-CD1 3.78Å; F17-I147 HydrophobicContact CE1-CD1 3.5Å; F17-I147 HydrophobicContact CZ-CD1 4.06Å |
| 18 | A | 88.4 | Confident | 83.7 | Confident | 26 Ų | 26 | 42.4 Ų | 42.4 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 124.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107 | N52 L136 A137 | A18-N52 HydrophobicContact CB-CB 4.41Å; A18-L136 WeakPolarHBondContact CA-O 3.16Å; A18-A137 HydrophobicContact CB-CB 4.48Å |
| 19 | G | 80.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 136.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T135 L136 | G19-T135 WeakPolarHBondContact O-CA 3.45Å; G19-L136 PolarHBondContact N-O 2.73Å; G19-L136 PolarHBondContact O-N 3.15Å |
| 20 | T | 83.5 | Confident | 84.9 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 139.4 | 175.1 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | Q8 L22 D134 E265 I267 A278 G281 | Q8-T20 PolarHBondContact NE2-O 3.41Å; Q8-T20 PolarHBondContact OE1-O 2.93Å; T20-L22 HydrophobicContact CG2-CD2 4.42Å; T20-D134 CarbonylContact C-O 3.53Å; T20-D134 WeakPolarHBondContact CA-O 3.46Å; T20-E265 WeakPolarHBondContact CB-OE1 3.48Å; T20-E265 PolarHBondContact N-OE1 2.69Å; T20-E265 PolarHBondContact OG1-OE1 2.89Å; T20-I267 VanDerWaalsContact CB-CD1 3.5Å; T20-I267 HydrophobicContact CG2-CD1 4.02Å; T20-A278 HydrophobicContact CG2-CB 4.45Å; T20-G281 VanDerWaalsContact OG1-CA 3.31Å; T20-G281 WeakPolarHBondContact OG1-CA 3.36Å; T20-G281 PolarHBondContact OG1-N 3Å |
| 21 | I | 85.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | trans | -93.4 | 109.4 | 171.9 | -52.9 | 178.7 | 0 | 0 | 0 | 107.2 | G23 G24 L25 F48 V133 D134 L136 F149 | I21-G23 PolarHBondContact O-N 3.34Å; I21-G24 WeakPolarHBondContact CG2-O 3.41Å; I21-G24 WeakPolarHBondContact O-CA 3.28Å; I21-G24 PolarHBondContact O-N 3.17Å; I21-L25 HydrophobicContact CD1-CD1 4.15Å; I21-L25 HydrophobicContact CG2-CD1 4.13Å; I21-F48 HydrophobicContact CD1-CD1 4Å; I21-F48 HydrophobicContact CD1-CE1 4.26Å; I21-V133 HydrophobicContact CD1-CG1 4.44Å; I21-D134 PolarHBondContact N-O 3.36Å; I21-L136 HydrophobicContact CD1-CB 4.27Å; I21-L136 HydrophobicContact CG1-CB 4.25Å; I21-F149 HydrophobicContact CB-CE1 4.25Å; I21-F149 HydrophobicContact CD1-CE1 4.07Å; I21-F149 HydrophobicContact CG1-CE1 3.71Å; I21-F149 HydrophobicContact CG1-CZ 4.08Å; I21-F149 HydrophobicContact CG2-CD1 3.84Å; I21-F149 HydrophobicContact CG2-CE1 3.82Å | ||
| 22 | L | 74.3 | Confident | 86.8 | Confident | 28 Ų | 28 | 40.4 Ų | 40.4 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 123.1 | -174.4 | -63.3 | 179.3 | 0 | 0 | 0 | 111.8 | K7 Q8 T20 G24 T197 I267 | K7-L22 PolarHBondContact NZ-O 3.34Å; Q8-L22 HydrophobicContact CB-CD1 4.31Å; Q8-L22 HydrophobicContact CG-CD1 4.13Å; Q8-L22 HydrophobicContact CG-CG 4.37Å; T20-L22 HydrophobicContact CG2-CD2 4.42Å; L22-G24 VanDerWaalsContact C-N 3.27Å; L22-T197 HydrophobicContact CD1-CG2 4.19Å; L22-I267 HydrophobicContact CD2-CD1 3.82Å; L22-I267 HydrophobicContact CD2-CG2 3.85Å |
| 23 | G | 78.1 | Confident | 88 | Confident | 72 Ų | 72 | 35.2 Ų | 35.2 | 74% | 0.742 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 10.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | I21 | I21-G23 PolarHBondContact O-N 3.34Š|
| 24 | G | 84.4 | Confident | 88.5 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | trans | 68 | -176.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K7 I21 L22 | K7-G24 PolarHBondContact NZ-O 3.28Å; I21-G24 WeakPolarHBondContact CG2-O 3.41Å; I21-G24 WeakPolarHBondContact O-CA 3.28Å; I21-G24 PolarHBondContact O-N 3.17Å; L22-G24 VanDerWaalsContact C-N 3.27Å | ||
| 25 | L | 87.4 | Confident | 89.1 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -93.3 | 124.7 | 178.5 | -155.8 | 67.3 | 0 | 0 | 0 | 110.7 | I21 V31 F48 V107 F112 L130 V133 | I21-L25 HydrophobicContact CD1-CD1 4.15Å; I21-L25 HydrophobicContact CG2-CD1 4.13Å; L25-V31 HydrophobicContact CD1-CG2 3.95Å; L25-F48 HydrophobicContact CD1-CE1 4.33Å; L25-F48 HydrophobicContact CD2-CD1 3.78Å; L25-F48 HydrophobicContact CD2-CE1 3.97Å; L25-V107 HydrophobicContact CD1-CG2 3.78Å; L25-V107 HydrophobicContact CD2-CB 4.44Å; L25-V107 HydrophobicContact CD2-CG1 4.01Å; L25-V107 HydrophobicContact CD2-CG2 3.56Å; L25-V107 HydrophobicContact CG-CB 4.32Å; L25-V107 HydrophobicContact CG-CG1 3.96Å; L25-V107 HydrophobicContact CG-CG2 3.61Å; L25-F112 HydrophobicContact CD2-CE1 3.6Å; L25-F112 HydrophobicContact CD2-CZ 4.16Å; L25-L130 HydrophobicContact CB-CD1 4.14Å; L25-L130 HydrophobicContact CD2-CD1 3.82Å; L25-L130 HydrophobicContact CG-CD1 4.21Å; L25-V133 HydrophobicContact CB-CB 4.31Å; L25-V133 HydrophobicContact CB-CG1 4.26Å; L25-V133 HydrophobicContact CD2-CG1 4.11Å; L25-V133 PolarHBondContact N-O 2.78Å; L25-V133 VanDerWaalsContact N-O 3.13Å | ||
| 26 | Q | 88.9 | Confident | 89.5 | Confident | 82 Ų | 82 | 31.9 Ų | 31.9 | 38% | 0.383 | 20% | 0.203 | S | C | . | . | trans | -115.2 | 149.1 | -176.9 | -61.7 | -63.6 | -42.3 | 0 | 0 | 112.5 | G28 E29 | Q26-G28 PolarHBondContact O-N 3.08Å; Q26-E29 HydrophobicContact CB-CG 3.96Å; Q26-E29 PolarHBondContact N-OE2 3.49Å; Q26-E29 WeakPolarHBondContact O-CB 3.45Å; Q26-E29 WeakPolarHBondContact O-CG 3.42Å; Q26-E29 PolarHBondContact O-N 3Å; Q26-E29 VanDerWaalsContact O-N 3.13Å | ||
| 27 | P | 94.1 | Very high | 89.8 | Confident | 58 Ų | 58 | 26.9 Ų | 26.9 | 38% | 0.377 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 133.5 | 172.2 | -25.8 | 35 | 0 | 0 | 0 | 112.5 | L130 | P27-L130 HydrophobicContact CG-CD2 3.87Š|
| 28 | G | 91.6 | Very high | 90.2 | Very high | 21 Ų | 21 | 28 Ų | 28 | 22% | 0.216 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -16.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q26 V107 G152 | Q26-G28 PolarHBondContact O-N 3.08Å; G28-V107 WeakPolarHBondContact CA-O 3.44Å; G28-V107 PolarHBondContact N-O 2.89Å; G28-G152 VanDerWaalsContact C-CA 3.42Å; G28-G152 WeakPolarHBondContact O-CA 3.3Å |
| 29 | E | 93.1 | Very high | 90.6 | Very high | 18 Ų | 18 | 31 Ų | 31 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | trans | -71 | 153.8 | 179.8 | -63.6 | -168.3 | 143.5 | 0 | 0 | 112.6 | K7 Q26 V107 F150 | K7-E29 WeakPolarHBondContact CE-OE1 3.43Å; K7-E29 IonicContact NZ-OE1 3.98Å; K7-E29 PolarHBondContact NZ-OE1 3.22Å; K7-E29 IonicContact NZ-OE2 3.06Å; K7-E29 PolarHBondContact NZ-OE2 3.4Å; Q26-E29 HydrophobicContact CB-CG 3.96Å; Q26-E29 PolarHBondContact N-OE2 3.49Å; Q26-E29 WeakPolarHBondContact O-CB 3.45Å; Q26-E29 WeakPolarHBondContact O-CG 3.42Å; Q26-E29 PolarHBondContact O-N 3Å; Q26-E29 VanDerWaalsContact O-N 3.13Å; E29-V107 PolarHBondContact O-N 2.8Å; E29-F150 VanDerWaalsContact CA-O 3.29Å; E29-F150 WeakPolarHBondContact CA-O 3.38Å; E29-F150 WeakPolarHBondContact CB-O 3.46Å | ||
| 30 | M | 95.8 | Very high | 91.3 | Very high | 84 Ų | 84 | 35.5 Ų | 35.5 | 41% | 0.414 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.9 | 174.3 | -60.4 | -179.6 | -173.1 | 0 | 0 | 110.7 | I104 V105 L106 F149 F150 | M30-I104 HydrophobicContact CB-CG2 4.39Å; M30-I104 HydrophobicContact SD-CG2 4.43Å; M30-V105 CarbonylContact C-O 3.52Å; M30-V105 WeakPolarHBondContact CA-O 3.37Å; M30-L106 HydrophobicContact CE-CD1 4.03Å; M30-L106 HydrophobicContact CG-CD1 3.84Å; M30-F149 CarbonylContact O-C 3.59Å; M30-F149 WeakPolarHBondContact O-CA 3.06Å; M30-F150 HydrophobicContact CB-CB 4.25Å; M30-F150 PolarHBondContact N-O 3.2Å; M30-F150 PolarHBondContact O-N 2.85Å |
| 31 | V | 97.5 | Very high | 92 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 113.7 | 170.1 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | L25 I33 F48 I104 V105 L136 I147 G148 F149 | L25-V31 HydrophobicContact CD1-CG2 3.95Å; V31-I33 HydrophobicContact CG1-CG1 4.32Å; V31-F48 HydrophobicContact CB-CE1 4.47Å; V31-F48 HydrophobicContact CB-CZ 4.18Å; V31-F48 HydrophobicContact CG1-CZ 4.35Å; V31-F48 HydrophobicContact CG2-CE1 3.94Å; V31-F48 HydrophobicContact CG2-CZ 4.09Å; V31-I104 CarbonylContact O-C 3.53Å; V31-I104 WeakPolarHBondContact O-CA 3.45Å; V31-V105 HydrophobicContact CB-CB 4.34Å; V31-V105 PolarHBondContact N-O 2.79Å; V31-V105 PolarHBondContact O-N 2.64Å; V31-L136 HydrophobicContact CG1-CD2 4.19Å; V31-I147 HydrophobicContact CG1-CG2 4.3Å; V31-G148 CarbonylContact C-O 3.54Å; V31-G148 WeakPolarHBondContact CA-O 3.47Å; V31-F149 HydrophobicContact CB-CD1 4.41Å; V31-F149 HydrophobicContact CB-CE1 4.5Å; V31-F149 HydrophobicContact CG1-CD1 4.05Å; V31-F149 HydrophobicContact CG1-CE1 3.8Å; V31-F149 HydrophobicContact CG1-CZ 4.32Å; V31-F149 HydrophobicContact CG2-CD1 3.67Å; V31-F149 HydrophobicContact CG2-CE1 3.89Å |
| 32 | L | 95.8 | Very high | 92.5 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 15% | 0.152 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.4 | 174.1 | 178 | 68.1 | 0 | 0 | 0 | 109.2 | Q34 E102 M103 I104 I147 G148 F150 | L32-Q34 HydrophobicContact CD1-CG 4.2Å; L32-Q34 HydrophobicContact CD2-CG 4.43Å; L32-Q34 HydrophobicContact CG-CG 4.22Å; L32-E102 HydrophobicContact CD1-CG 3.48Å; L32-E102 VanDerWaalsContact CD1-CG 3.48Å; L32-M103 CarbonylContact C-O 3.48Å; L32-M103 WeakPolarHBondContact CA-O 3.32Å; L32-I104 HydrophobicContact CD1-CD1 4.4Å; L32-I104 HydrophobicContact CD1-CG1 3.78Å; L32-I147 CarbonylContact O-C 3.57Å; L32-I147 VanDerWaalsContact O-CA 3.24Å; L32-I147 WeakPolarHBondContact O-CA 3.31Å; L32-G148 PolarHBondContact N-O 3.16Å; L32-G148 PolarHBondContact O-N 2.81Å; L32-F150 HydrophobicContact CB-CD2 4.34Å; L32-F150 HydrophobicContact CB-CE2 3.73Å; L32-F150 HydrophobicContact CD2-CE2 3.99Å; L32-F150 HydrophobicContact CD2-CZ 4.26Å |
| 33 | I | 98.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 115.6 | 172.2 | -54.2 | 171.7 | 0 | 0 | 0 | 107.7 | V31 V46 F101 M103 L136 I138 V144 A146 I147 | V31-I33 HydrophobicContact CG1-CG1 4.32Å; I33-V46 HydrophobicContact CD1-CG1 3.58Å; I33-V46 HydrophobicContact CD1-CG2 4.14Å; I33-F101 HydrophobicContact CG2-CE2 4.07Å; I33-F101 HydrophobicContact CG2-CZ 4.47Å; I33-M103 HydrophobicContact CB-CB 4.33Å; I33-M103 HydrophobicContact CD1-SD 4.47Å; I33-M103 PolarHBondContact N-O 2.9Å; I33-M103 PolarHBondContact O-N 3Å; I33-L136 HydrophobicContact CD1-CD2 4.41Å; I33-I138 HydrophobicContact CD1-CD1 4.17Å; I33-I138 HydrophobicContact CG2-CD1 4.19Å; I33-V144 HydrophobicContact CG2-CG1 4.15Å; I33-V144 HydrophobicContact CG2-CG2 4.42Å; I33-A146 WeakPolarHBondContact CA-O 3.35Å; I33-I147 HydrophobicContact CG1-CG2 4.49Å |
| 34 | Q | 92.8 | Very high | 94.6 | Very high | 73 Ų | 73 | 42 Ų | 42 | 34% | 0.341 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.1 | 175.1 | -69.7 | 179.8 | -27.6 | 0 | 0 | 109.4 | L32 F101 E102 Q145 A146 | L32-Q34 HydrophobicContact CD1-CG 4.2Å; L32-Q34 HydrophobicContact CD2-CG 4.43Å; L32-Q34 HydrophobicContact CG-CG 4.22Å; Q34-F101 WeakPolarHBondContact CA-O 3.29Å; Q34-E102 HydrophobicContact CG-CB 4.47Å; Q34-E102 HydrophobicContact CG-CG 4.25Å; Q34-E102 PolarHBondContact NE2-OE2 2.79Å; Q34-Q145 PolarHBondContact O-N 2.88Å; Q34-Q145 PolarHBondContact O-OE1 2.8Å; Q34-A146 HydrophobicContact CB-CB 4.38Å; Q34-A146 PolarHBondContact N-O 2.91Å; Q34-A146 PolarHBondContact O-N 2.92Å |
| 35 | G | 93.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 176.9 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T100 F101 K143 | G35-T100 CarbonylContact O-C 3.56Å; G35-T100 WeakPolarHBondContact O-CA 3.28Å; G35-F101 VanDerWaalsContact CA-CE1 3.47Å; G35-F101 PolarHBondContact N-O 3.43Å; G35-F101 PolarHBondContact O-N 3.32Å; G35-K143 CarbonylContact C-O 3.57Å; G35-K143 WeakPolarHBondContact CA-O 3.49Å |
| 36 | T | 95.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 132.7 | 164.1 | -55 | 0 | 0 | 0 | 0 | 109 | P38 S99 K143 Q145 | T36-P38 WeakPolarHBondContact O-CD 3.2Å; T36-S99 WeakPolarHBondContact CA-O 3.16Å; T36-K143 PolarHBondContact N-O 3.47Å; T36-K143 PolarHBondContact O-N 3.29Å; T36-Q145 PolarHBondContact OG1-NE2 2.94Å |
| 37 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -87.8 | 117.4 | 170.9 | -174.4 | 0 | 0 | 0 | 0 | 108 | C41 F44 F68 F95 L97 G98 S99 F101 | V37-C41 HydrophobicContact CG1-CB 3.57Å; V37-F44 HydrophobicContact CG2-CE1 3.9Å; V37-F68 HydrophobicContact CG1-CE1 4.2Å; V37-F68 HydrophobicContact CG1-CE2 4Å; V37-F68 HydrophobicContact CG1-CZ 3.7Å; V37-F68 HydrophobicContact CG2-CZ 4.34Å; V37-F95 HydrophobicContact CG2-CB 4.1Å; V37-F95 HydrophobicContact CG2-CD1 4.19Å; V37-L97 HydrophobicContact CG1-CD2 3.93Å; V37-G98 CarbonylContact O-C 3.57Å; V37-G98 WeakPolarHBondContact O-CA 3.47Å; V37-G98 PolarHBondContact O-N 2.69Å; V37-S99 PolarHBondContact N-O 2.9Å; V37-F101 HydrophobicContact CG2-CD1 3.75Å; V37-F101 HydrophobicContact CG2-CE1 3.96Å | ||
| 38 | P | 97.1 | Very high | 96.5 | Very high | 38 Ų | 38 | 36.1 Ų | 36.1 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | trans | -56.8 | 149.3 | 173.8 | -26.1 | 36.3 | 0 | 0 | 0 | 112.2 | T36 D40 C41 L97 K141 | T36-P38 WeakPolarHBondContact O-CD 3.2Å; P38-D40 WeakPolarHBondContact CB-OD1 3.32Å; P38-D40 PolarHBondContact O-N 2.83Å; P38-C41 WeakPolarHBondContact O-CB 3.32Å; P38-C41 PolarHBondContact O-N 3.39Å; P38-C41 VanDerWaalsContact O-N 3.12Å; P38-L97 WeakPolarHBondContact O-CD2 3.49Å; P38-K141 HydrophobicContact CB-CG 4.31Å; P38-K141 WeakPolarHBondContact CD-O 3.38Å; P38-K141 HydrophobicContact CG-CG 4.04Å | ||
| 39 | S | 96.8 | Very high | 96.8 | Very high | 91 Ų | 91 | 35.5 Ų | 35.5 | 64% | 0.636 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -25.7 | -178.7 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 40 | D | 95.7 | Very high | 96.8 | Very high | 97 Ų | 97 | 36.8 Ų | 36.8 | 52% | 0.519 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 25.6 | 179.6 | 65.9 | -15.9 | 0 | 0 | 0 | 112.2 | P38 K141 | P38-D40 WeakPolarHBondContact CB-OD1 3.32Å; P38-D40 PolarHBondContact O-N 2.83Å; D40-K141 VanDerWaalsContact CG-CE 3.4Å; D40-K141 WeakPolarHBondContact O-CE 3.13Å; D40-K141 PolarHBondContact O-NZ 3.38Å; D40-K141 WeakPolarHBondContact OD1-CE 3.31Å; D40-K141 IonicContact OD1-NZ 3.59Å; D40-K141 PolarHBondContact OD1-NZ 2.91Å; D40-K141 VanDerWaalsContact OD1-NZ 3.1Å; D40-K141 WeakPolarHBondContact OD2-CE 3.49Å; D40-K141 IonicContact OD2-NZ 3.9Å; D40-K141 PolarHBondContact OD2-NZ 3.27Å |
| 41 | C | 96.6 | Very high | 96.2 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.034 | 17% | 0.171 | C | C | . | . | trans | -69.1 | 130.5 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | V37 P38 F68 L97 K141 | V37-C41 HydrophobicContact CG1-CB 3.57Å; P38-C41 WeakPolarHBondContact O-CB 3.32Å; P38-C41 PolarHBondContact O-N 3.39Å; P38-C41 VanDerWaalsContact O-N 3.12Å; C41-F68 HydrophobicContact CB-CD2 4.37Å; C41-L97 HydrophobicContact CB-CD2 3.68Å; C41-L97 WeakPolarHBondContact O-CD2 3.4Å; C41-K141 HydrophobicContact CB-CB 4.38Å; C41-K141 HydrophobicContact CB-CG 4.34Å; C41-K141 PolarHBondContact SG-O 2.85Å | ||
| 42 | E | 96.6 | Very high | 95.5 | Very high | 105 Ų | 105 | 34.7 Ų | 34.7 | 49% | 0.491 | 18% | 0.179 | S | C | . | . | trans | -93.8 | -44.2 | 170.7 | -50.5 | -165.2 | 166.7 | 0 | 0 | 111.8 | F68 K69 | E42-F68 PolarHBondContact O-N 2.85Å; E42-K69 HydrophobicContact CB-CD 4.24Å; E42-K69 HydrophobicContact CG-CD 4.02Å; E42-K69 WeakPolarHBondContact OE1-CE 3.23Å; E42-K69 IonicContact OE1-NZ 3.26Å; E42-K69 PolarHBondContact OE1-NZ 2.79Å; E42-K69 IonicContact OE2-NZ 3.84Å | ||
| 43 | R | 98.2 | Very high | 94.8 | Very high | 130 Ų | 130 | 36 Ų | 36 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | B | Isolated β-bridge | trans | -163.4 | 157.4 | 176.2 | 65.6 | 178.7 | -176.2 | 151.6 | 0.1 | 110.7 | P66 R67 K141 | R43-P66 VanDerWaalsContact CA-O 3.24Å; R43-P66 WeakPolarHBondContact CA-O 3.42Å; R43-P66 WeakPolarHBondContact CB-O 3.42Å; R43-R67 HydrophobicContact CB-CG 4.2Å; R43-K141 PolarHBondContact O-N 2.84Å |
| 44 | F | 98.7 | Very high | 93.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 168.5 | 161 | 69.7 | -90.3 | 0 | 0 | 0 | 108.9 | V37 V46 N65 P66 F68 F95 F101 S139 V142 | V37-F44 HydrophobicContact CG2-CE1 3.9Å; F44-V46 HydrophobicContact CD2-CG2 4.45Å; F44-V46 HydrophobicContact CE2-CG2 4.24Å; F44-N65 WeakPolarHBondContact O-CA 3.44Å; F44-N65 PolarHBondContact O-ND2 2.81Å; F44-P66 HydrophobicContact CD1-CB 4.39Å; F44-P66 HydrophobicContact CE1-CB 3.86Å; F44-P66 HydrophobicContact CE1-CG 3.95Å; F44-P66 HydrophobicContact CE2-CG 3.95Å; F44-P66 HydrophobicContact CZ-CB 4.04Å; F44-P66 HydrophobicContact CZ-CG 3.59Å; F44-P66 PolarHBondContact N-O 3.27Å; F44-P66 VanDerWaalsContact O-CD 3.31Å; F44-P66 WeakPolarHBondContact O-CD 3.16Å; F44-F68 AromaticContact CD1-CE2 3.97Å; F44-F68 HydrophobicContact CD1-CE2 3.97Å; F44-F68 HydrophobicContact CD1-CZ 4.46Å; F44-F68 AromaticContact CE1-CE2 3.93Å; F44-F68 HydrophobicContact CE1-CE2 3.93Å; F44-F68 AromaticContact CE1-CZ 3.97Å; F44-F68 HydrophobicContact CE1-CZ 3.97Å; F44-F95 HydrophobicContact CE1-CD1 4.36Å; F44-F95 HydrophobicContact CE1-CG 4.36Å; F44-F95 AromaticContact CZ-CD1 3.88Å; F44-F95 HydrophobicContact CZ-CD1 3.88Å; F44-F95 HydrophobicContact CZ-CD2 4.29Å; F44-F95 AromaticContact CZ-CE1 3.79Å; F44-F95 HydrophobicContact CZ-CE1 3.79Å; F44-F95 HydrophobicContact CZ-CE2 4.22Å; F44-F95 HydrophobicContact CZ-CG 4.14Å; F44-F95 AromaticContact CZ-CZ 3.97Å; F44-F95 HydrophobicContact CZ-CZ 3.97Å; F44-F101 HydrophobicContact CZ-CE1 4.47Å; F44-F101 HydrophobicContact CZ-CZ 4.48Å; F44-S139 CarbonylContact C-O 3.49Å; F44-S139 WeakPolarHBondContact CA-O 3.35Å; F44-S139 WeakPolarHBondContact CB-O 3.45Å; F44-V142 HydrophobicContact CB-CB 3.73Å; F44-V142 HydrophobicContact CB-CG1 3.81Å; F44-V142 HydrophobicContact CD1-CB 4.19Å; F44-V142 HydrophobicContact CD1-CG2 4.43Å; F44-V142 HydrophobicContact CD2-CB 4.14Å; F44-V142 HydrophobicContact CD2-CG1 4.17Å; F44-V142 HydrophobicContact CD2-CG2 4.26Å; F44-V142 HydrophobicContact CG-CB 3.78Å; F44-V142 HydrophobicContact CG-CG1 4.11Å; F44-V142 HydrophobicContact CG-CG2 4.22Å |
| 45 | Q | 98.8 | Very high | 93.4 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.1 | 178.3 | 65.5 | -165.1 | 56.1 | 0 | 0 | 111.7 | D47 F64 N65 I138 S139 | Q45-D47 PolarHBondContact NE2-OD2 3.49Å; Q45-F64 CarbonylContact C-O 3.58Å; Q45-F64 VanDerWaalsContact CA-O 3.23Å; Q45-F64 WeakPolarHBondContact CA-O 3.36Å; Q45-N65 HydrophobicContact CB-CB 4.21Å; Q45-I138 WeakPolarHBondContact O-CA 3.24Å; Q45-S139 WeakPolarHBondContact CG-OG 3.46Å; Q45-S139 PolarHBondContact N-O 2.77Å; Q45-S139 PolarHBondContact NE2-OG 3.05Å; Q45-S139 PolarHBondContact O-N 2.86Å |
| 46 | V | 98.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 116.7 | 171 | -179.6 | 0 | 0 | 0 | 0 | 106.2 | I33 F44 F48 F64 M103 L136 I138 | I33-V46 HydrophobicContact CD1-CG1 3.58Å; I33-V46 HydrophobicContact CD1-CG2 4.14Å; F44-V46 HydrophobicContact CD2-CG2 4.45Å; F44-V46 HydrophobicContact CE2-CG2 4.24Å; V46-F48 HydrophobicContact CG1-CE2 4.35Å; V46-F64 HydrophobicContact CB-CB 4.44Å; V46-F64 PolarHBondContact N-O 2.97Å; V46-F64 WeakPolarHBondContact O-CB 3.33Å; V46-F64 PolarHBondContact O-N 2.84Å; V46-M103 HydrophobicContact CB-CE 4.48Å; V46-M103 HydrophobicContact CG1-CE 4.46Å; V46-M103 HydrophobicContact CG2-SD 4.33Å; V46-L136 HydrophobicContact CG1-CD1 3.67Å; V46-I138 HydrophobicContact CG1-CG1 4.45Å; V46-I138 HydrophobicContact CG2-CG1 4.39Å; V46-I138 HydrophobicContact CG2-CG2 4.5Å |
| 47 | D | 98.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.9 | -173 | -64.1 | -18.9 | 0 | 0 | 0 | 109.4 | Q45 T49 I60 F62 H63 A137 | Q45-D47 PolarHBondContact NE2-OD2 3.49Å; D47-T49 HydrophobicContact CB-CG2 3.94Å; D47-I60 HydrophobicContact CB-CG2 3.89Å; D47-F62 WeakPolarHBondContact CA-O 3.36Å; D47-H63 IonicContact OD1-CE1 3.32Å; D47-H63 IonicContact OD1-CG 2.75Å; D47-H63 IonicContact OD1-ND1 3.66Å; D47-H63 PolarHBondContact OD1-ND1 3.2Å; D47-H63 IonicContact OD2-ND1 3.86Å; D47-A137 HydrophobicContact CB-CB 4.26Å; D47-A137 PolarHBondContact N-O 2.96Å; D47-A137 PolarHBondContact O-N 2.84Å |
| 48 | F | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 113.6 | 167.2 | -72.2 | -89.7 | 0 | 0 | 0 | 108.7 | I21 L25 V31 V46 I60 A61 F62 V105 F112 V133 L136 | I21-F48 HydrophobicContact CD1-CD1 4Å; I21-F48 HydrophobicContact CD1-CE1 4.26Å; L25-F48 HydrophobicContact CD1-CE1 4.33Å; L25-F48 HydrophobicContact CD2-CD1 3.78Å; L25-F48 HydrophobicContact CD2-CE1 3.97Å; V31-F48 HydrophobicContact CB-CE1 4.47Å; V31-F48 HydrophobicContact CB-CZ 4.18Å; V31-F48 HydrophobicContact CG1-CZ 4.35Å; V31-F48 HydrophobicContact CG2-CE1 3.94Å; V31-F48 HydrophobicContact CG2-CZ 4.09Å; V46-F48 HydrophobicContact CG1-CE2 4.35Å; F48-I60 CarbonylContact O-C 3.6Å; F48-A61 PolarHBondContact O-N 2.9Å; F48-F62 HydrophobicContact CB-CB 4.25Å; F48-F62 HydrophobicContact CD2-CB 4.26Å; F48-F62 AromaticContact CD2-CD1 3.69Å; F48-F62 HydrophobicContact CD2-CD1 3.69Å; F48-F62 HydrophobicContact CD2-CG 4.39Å; F48-F62 HydrophobicContact CE2-CD1 4.03Å; F48-F62 PolarHBondContact N-O 2.84Å; F48-F62 PolarHBondContact O-N 2.93Å; F48-V105 HydrophobicContact CE2-CB 4.39Å; F48-V105 HydrophobicContact CE2-CG1 4.05Å; F48-V105 HydrophobicContact CE2-CG2 4.12Å; F48-V105 HydrophobicContact CZ-CB 4.15Å; F48-V105 HydrophobicContact CZ-CG1 4.05Å; F48-V105 HydrophobicContact CZ-CG2 4.2Å; F48-F112 HydrophobicContact CD2-CE1 4.49Å; F48-F112 HydrophobicContact CG-CE1 4.39Å; F48-V133 HydrophobicContact CB-CG1 3.78Å; F48-V133 HydrophobicContact CD1-CG1 4.21Å; F48-V133 HydrophobicContact CG-CG1 4.49Å; F48-L136 HydrophobicContact CD1-CD1 4.24Å; F48-L136 HydrophobicContact CD2-CD1 4.48Å; F48-L136 HydrophobicContact CE1-CD1 3.95Å; F48-L136 HydrophobicContact CE2-CD1 4.2Å; F48-L136 HydrophobicContact CZ-CD1 3.93Å |
| 49 | T | 96.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 158.7 | -168.1 | 62 | 0 | 0 | 0 | 0 | 113.3 | D47 G51 D59 I60 D134 T135 | D47-T49 HydrophobicContact CB-CG2 3.94Å; T49-G51 VanDerWaalsContact CB-O 3.29Å; T49-G51 WeakPolarHBondContact CB-O 3.18Å; T49-G51 PolarHBondContact OG1-O 3.16Å; T49-D59 CarbonylContact C-O 3.47Å; T49-D59 VanDerWaalsContact CA-O 3.23Å; T49-D59 WeakPolarHBondContact CA-O 3.24Å; T49-D59 WeakPolarHBondContact CB-O 3.31Å; T49-I60 HydrophobicContact CG2-CB 4.33Å; T49-I60 HydrophobicContact CG2-CG1 3.8Å; T49-I60 HydrophobicContact CG2-CG2 4.37Å; T49-D134 PolarHBondContact O-N 3.24Å; T49-D134 VanDerWaalsContact O-N 3.12Å; T49-T135 PolarHBondContact N-O 2.99Å; T49-T135 PolarHBondContact O-N 3.41Å; T49-T135 WeakPolarHBondContact OG1-CB 3.21Å; T49-T135 VanDerWaalsContact OG1-CG2 3.31Å; T49-T135 WeakPolarHBondContact OG1-CG2 3.43Å |
| 50 | R | 93.9 | Very high | 92.7 | Very high | 45 Ų | 45 | 49.5 Ų | 49.5 | 17% | 0.17 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -94.3 | 89.9 | 168.9 | -55.8 | -179.4 | 170.9 | 166.4 | -12.7 | 108.6 | D59 D129 K132 | R50-D59 HydrophobicContact CB-CB 4.24Å; R50-D59 HydrophobicContact CG-CB 4.21Å; R50-D59 PolarHBondContact N-O 3.2Å; R50-D59 IonicContact NH1-OD2 2.69Å; R50-D59 PolarHBondContact NH1-OD2 3.47Å; R50-D129 IonicContact NH2-OD2 3.85Å; R50-K132 WeakPolarHBondContact CA-O 3.36Å; R50-K132 WeakPolarHBondContact CB-O 3.12Å; R50-K132 HydrophobicContact CG-CB 3.94Å; R50-K132 WeakPolarHBondContact CG-O 3.41Å |
| 51 | G | 83.3 | Confident | 92.8 | Very high | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 75.7 | -172.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T49 A58 D134 | T49-G51 VanDerWaalsContact CB-O 3.29Å; T49-G51 WeakPolarHBondContact CB-O 3.18Å; T49-G51 PolarHBondContact OG1-O 3.16Å; G51-A58 WeakPolarHBondContact O-CB 3.42Å; G51-D134 VanDerWaalsContact CA-OD1 3.24Å; G51-D134 WeakPolarHBondContact CA-OD1 3.43Å; G51-D134 PolarHBondContact N-OD1 2.9Å |
| 52 | N | 82.2 | Confident | 92.9 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | trans | -125.5 | 16.2 | -179.4 | 74.1 | 7.7 | 0 | 0 | 0 | 114.4 | A18 T54 T135 N280 | A18-N52 HydrophobicContact CB-CB 4.41Å; N52-T54 PolarHBondContact O-N 3.22Å; N52-T135 HydrophobicContact CB-CG2 4.07Å; N52-N280 WeakPolarHBondContact ND2-CA 3.29Å; N52-N280 WeakPolarHBondContact ND2-CB 3.29Å; N52-N280 PolarHBondContact ND2-OD1 2.81Å; N52-N280 WeakPolarHBondContact OD1-CB 3.09Å; N52-N280 PolarHBondContact OD1-ND2 2.89Å | ||
| 53 | S | 80.9 | Confident | 93 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 40% | 0.399 | 20% | 0.202 | S | C | . | . | trans | -52.5 | 133.7 | -180 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | K55 P56 R57 A58 | S53-K55 PolarHBondContact OG-N 3.15Å; S53-P56 CarbonylContact C-O 3.57Å; S53-P56 WeakPolarHBondContact CB-O 3.3Å; S53-P56 PolarHBondContact OG-O 3.37Å; S53-R57 CarbonylContact O-C 3.28Å; S53-R57 WeakPolarHBondContact O-CA 3.47Å; S53-A58 PolarHBondContact O-N 2.9Å | ||
| 54 | T | 80 | Confident | 93.1 | Very high | 101 Ų | 101 | 34 Ų | 34 | 62% | 0.62 | 18% | 0.179 | S | C | * | . | B | Isolated β-bridge | trans | -93.4 | -21 | 176.9 | 54.8 | 0 | 0 | 0 | 0 | 112.2 | N52 | N52-T54 PolarHBondContact O-N 3.22Å |
| 55 | K | 81.4 | Confident | 93.1 | Very high | 187 Ų | 187 | 34 Ų | 34 | 81% | 0.813 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -152.9 | 106.4 | -179.3 | -166.7 | 173 | -177.2 | 179.7 | 0 | 111.9 | S53 | S53-K55 PolarHBondContact OG-N 3.15Š|
| 56 | P | 88.5 | Confident | 93.1 | Very high | 87 Ų | 87 | 32.9 Ų | 32.9 | 57% | 0.565 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -61.8 | 151.5 | -8.8 | 29.7 | -35.2 | 0 | 0 | 0 | 110.4 | S53 A58 E82 | S53-P56 CarbonylContact C-O 3.57Å; S53-P56 WeakPolarHBondContact CB-O 3.3Å; S53-P56 PolarHBondContact OG-O 3.37Å; P56-A58 PolarHBondContact O-N 2.86Å; P56-E82 HydrophobicContact CB-CG 4.25Å |
| 57 | R | 91.7 | Very high | 93 | Very high | 97 Ų | 97 | 36.7 Ų | 36.7 | 37% | 0.366 | 19% | 0.187 | S | C | . | . | B | Isolated β-bridge | trans | -58.8 | 131.4 | 176.1 | -176.9 | 176.8 | 178.7 | -173.9 | 2 | 109.6 | S53 I60 L79 E82 | S53-R57 CarbonylContact O-C 3.28Å; S53-R57 WeakPolarHBondContact O-CA 3.47Å; R57-I60 VanDerWaalsContact NH2-CD1 3.35Å; R57-L79 HydrophobicContact CG-CD2 4Å; R57-E82 HydrophobicContact CB-CG 4.13Å; R57-E82 WeakPolarHBondContact CB-OE1 3.04Å; R57-E82 PolarHBondContact N-OE1 3.45Å |
| 58 | A | 90.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 142.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G51 S53 P56 | G51-A58 WeakPolarHBondContact O-CB 3.42Å; S53-A58 PolarHBondContact O-N 2.9Å; P56-A58 PolarHBondContact O-N 2.86Å |
| 59 | D | 97.8 | Very high | 92.5 | Very high | 33 Ų | 33 | 43.7 Ų | 43.7 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 139.6 | 172.3 | -72.1 | -12.1 | 0 | 0 | 0 | 109.8 | T49 R50 L79 E80 R81 L128 | T49-D59 CarbonylContact C-O 3.47Å; T49-D59 VanDerWaalsContact CA-O 3.23Å; T49-D59 WeakPolarHBondContact CA-O 3.24Å; T49-D59 WeakPolarHBondContact CB-O 3.31Å; R50-D59 HydrophobicContact CB-CB 4.24Å; R50-D59 HydrophobicContact CG-CB 4.21Å; R50-D59 PolarHBondContact N-O 3.2Å; R50-D59 IonicContact NH1-OD2 2.69Å; R50-D59 PolarHBondContact NH1-OD2 3.47Å; D59-L79 CarbonylContact C-O 3.56Å; D59-L79 VanDerWaalsContact CA-O 3.3Å; D59-L79 WeakPolarHBondContact CA-O 3.38Å; D59-E80 WeakPolarHBondContact OD1-CA 3.4Å; D59-R81 PolarHBondContact OD1-N 2.75Å; D59-L128 HydrophobicContact CB-CD1 3.97Å |
| 60 | I | 98.7 | Very high | 91.8 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 105.9 | 176.6 | -55.5 | 165.1 | 0 | 0 | 0 | 107.3 | D47 F48 T49 R57 H63 T78 L79 W84 | D47-I60 HydrophobicContact CB-CG2 3.89Å; F48-I60 CarbonylContact O-C 3.6Å; T49-I60 HydrophobicContact CG2-CB 4.33Å; T49-I60 HydrophobicContact CG2-CG1 3.8Å; T49-I60 HydrophobicContact CG2-CG2 4.37Å; R57-I60 VanDerWaalsContact NH2-CD1 3.35Å; I60-H63 HydrophobicContact CG2-CB 3.84Å; I60-T78 CarbonylContact O-C 3.52Å; I60-T78 VanDerWaalsContact O-CA 3.24Å; I60-T78 WeakPolarHBondContact O-CA 3.4Å; I60-T78 WeakPolarHBondContact O-CG2 3.35Å; I60-L79 HydrophobicContact CB-CB 3.82Å; I60-L79 HydrophobicContact CD1-CB 3.9Å; I60-L79 HydrophobicContact CD1-CD2 3.9Å; I60-L79 HydrophobicContact CG1-CB 3.97Å; I60-L79 HydrophobicContact CG1-CD2 4.2Å; I60-L79 PolarHBondContact N-O 3.38Å; I60-L79 PolarHBondContact O-N 3.26Å; I60-W84 HydrophobicContact CD1-CH2 3.66Å; I60-W84 HydrophobicContact CD1-CZ2 4.24Å; I60-W84 HydrophobicContact CD1-CZ3 4.37Å |
| 61 | A | 98.6 | Very high | 91.5 | Very high | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | F48 T78 L128 V133 | F48-A61 PolarHBondContact O-N 2.9Å; A61-T78 PolarHBondContact O-OG1 3.13Å; A61-L128 HydrophobicContact CB-CB 3.96Å; A61-L128 HydrophobicContact CB-CD1 4.25Å; A61-V133 HydrophobicContact CB-CG2 3.42Å; A61-V133 VanDerWaalsContact CB-CG2 3.42Å |
| 62 | F | 98.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 107.9 | 176.5 | 177.3 | -142.3 | 0 | 0 | 0 | 110.9 | D47 F48 F64 C76 V105 F112 V114 L122 Y124 | D47-F62 WeakPolarHBondContact CA-O 3.36Å; F48-F62 HydrophobicContact CB-CB 4.25Å; F48-F62 HydrophobicContact CD2-CB 4.26Å; F48-F62 AromaticContact CD2-CD1 3.69Å; F48-F62 HydrophobicContact CD2-CD1 3.69Å; F48-F62 HydrophobicContact CD2-CG 4.39Å; F48-F62 HydrophobicContact CE2-CD1 4.03Å; F48-F62 PolarHBondContact N-O 2.84Å; F48-F62 PolarHBondContact O-N 2.93Å; F62-F64 HydrophobicContact CE1-CB 4.28Å; F62-F64 HydrophobicContact CE2-CB 4.27Å; F62-F64 HydrophobicContact CE2-CD2 4.45Å; F62-F64 HydrophobicContact CZ-CB 3.96Å; F62-F64 AromaticContact CZ-CD2 3.8Å; F62-F64 HydrophobicContact CZ-CD2 3.8Å; F62-F64 HydrophobicContact CZ-CG 4.34Å; F62-C76 HydrophobicContact CE2-CB 4.07Å; F62-V105 HydrophobicContact CE1-CG1 4.44Å; F62-F112 HydrophobicContact CB-CD2 3.79Å; F62-F112 HydrophobicContact CB-CE2 3.54Å; F62-F112 HydrophobicContact CB-CG 4.43Å; F62-F112 HydrophobicContact CB-CZ 3.99Å; F62-F112 HydrophobicContact CD1-CB 4.01Å; F62-F112 AromaticContact CD1-CD1 3.96Å; F62-F112 HydrophobicContact CD1-CD1 3.96Å; F62-F112 AromaticContact CD1-CD2 3.84Å; F62-F112 HydrophobicContact CD1-CD2 3.84Å; F62-F112 HydrophobicContact CD1-CE1 4.37Å; F62-F112 HydrophobicContact CD1-CE2 4.29Å; F62-F112 AromaticContact CD1-CG 3.66Å; F62-F112 HydrophobicContact CD1-CG 3.66Å; F62-F112 HydrophobicContact CE1-CB 3.93Å; F62-F112 HydrophobicContact CE1-CG 4.11Å; F62-F112 AromaticContact CG-CD2 3.85Å; F62-F112 HydrophobicContact CG-CD2 3.85Å; F62-F112 HydrophobicContact CG-CE2 4.12Å; F62-F112 HydrophobicContact CG-CG 4.16Å; F62-F112 HydrophobicContact CZ-CB 4.48Å; F62-V114 HydrophobicContact CE1-CG2 3.91Å; F62-V114 HydrophobicContact CZ-CG2 3.87Å; F62-L122 HydrophobicContact CZ-CD1 4.16Å; F62-Y124 HydrophobicContact CB-CD1 4.31Å; F62-Y124 HydrophobicContact CB-CE1 4.5Å; F62-Y124 AromaticContact CD2-CD1 3.31Å; F62-Y124 HydrophobicContact CD2-CD1 3.31Å; F62-Y124 HydrophobicContact CD2-CD2 4.33Å; F62-Y124 AromaticContact CD2-CE1 3.79Å; F62-Y124 HydrophobicContact CD2-CE1 3.79Å; F62-Y124 AromaticContact CD2-CG 3.62Å; F62-Y124 HydrophobicContact CD2-CG 3.62Å; F62-Y124 AromaticContact CE2-CD1 3.81Å; F62-Y124 HydrophobicContact CE2-CD1 3.81Å; F62-Y124 HydrophobicContact CE2-CD2 4.14Å; F62-Y124 AromaticContact CE2-CG 3.57Å; F62-Y124 HydrophobicContact CE2-CG 3.57Å; F62-Y124 HydrophobicContact CG-CD1 4.02Å |
| 63 | H | 98.9 | Very high | 92.8 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 5% | 0.046 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 122.9 | 169.7 | 176.6 | 63.7 | 0 | 0 | 0 | 108.4 | D47 I60 N65 C76 N77 W84 | D47-H63 IonicContact OD1-CE1 3.32Å; D47-H63 IonicContact OD1-CG 2.75Å; D47-H63 IonicContact OD1-ND1 3.66Å; D47-H63 PolarHBondContact OD1-ND1 3.2Å; D47-H63 IonicContact OD2-ND1 3.86Å; I60-H63 HydrophobicContact CG2-CB 3.84Å; H63-N65 WeakPolarHBondContact NE2-CB 3.42Å; H63-C76 WeakPolarHBondContact O-CA 3.28Å; H63-N77 VanDerWaalsContact CB-O 3.24Å; H63-N77 WeakPolarHBondContact CB-O 3.44Å; H63-N77 PolarHBondContact N-O 2.73Å; H63-N77 PolarHBondContact O-N 2.91Å; H63-W84 HydrophobicContact CB-CH2 3.81Å; H63-W84 HydrophobicContact CB-CZ3 3.66Å; H63-W84 AromaticContact CD2-CH2 3.68Å; H63-W84 AromaticContact CD2-CZ3 3.87Å; H63-W84 AromaticContact CG-CH2 3.5Å; H63-W84 AromaticContact CG-CZ3 3.76Å; H63-W84 AromaticContact ND1-CH2 3.75Å |
| 64 | F | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 109.8 | 174.8 | 179.9 | -89.2 | 0 | 0 | 0 | 109.3 | Q45 V46 F62 P66 I74 F95 M103 V114 L122 | Q45-F64 CarbonylContact C-O 3.58Å; Q45-F64 VanDerWaalsContact CA-O 3.23Å; Q45-F64 WeakPolarHBondContact CA-O 3.36Å; V46-F64 HydrophobicContact CB-CB 4.44Å; V46-F64 PolarHBondContact N-O 2.97Å; V46-F64 WeakPolarHBondContact O-CB 3.33Å; V46-F64 PolarHBondContact O-N 2.84Å; F62-F64 HydrophobicContact CE1-CB 4.28Å; F62-F64 HydrophobicContact CE2-CB 4.27Å; F62-F64 HydrophobicContact CE2-CD2 4.45Å; F62-F64 HydrophobicContact CZ-CB 3.96Å; F62-F64 AromaticContact CZ-CD2 3.8Å; F62-F64 HydrophobicContact CZ-CD2 3.8Å; F62-F64 HydrophobicContact CZ-CG 4.34Å; F64-P66 HydrophobicContact CD1-CG 3.94Å; F64-P66 HydrophobicContact CE1-CG 3.45Å; F64-P66 VanDerWaalsContact CE1-CG 3.45Å; F64-P66 HydrophobicContact CZ-CG 4.27Å; F64-I74 HydrophobicContact CD2-CG2 3.83Å; F64-I74 HydrophobicContact CE1-CG2 4.3Å; F64-I74 HydrophobicContact CE2-CD1 4.37Å; F64-I74 HydrophobicContact CE2-CG2 3.53Å; F64-I74 HydrophobicContact CG-CG2 4.36Å; F64-I74 HydrophobicContact CZ-CD1 3.92Å; F64-I74 HydrophobicContact CZ-CG2 3.79Å; F64-F95 AromaticContact CE1-CE2 3.56Å; F64-F95 HydrophobicContact CE1-CE2 3.56Å; F64-F95 AromaticContact CE1-CZ 3.76Å; F64-F95 HydrophobicContact CE1-CZ 3.76Å; F64-F95 AromaticContact CZ-CE2 3.73Å; F64-F95 HydrophobicContact CZ-CE2 3.73Å; F64-F95 HydrophobicContact CZ-CZ 4.12Å; F64-M103 HydrophobicContact CD1-CE 3.7Å; F64-M103 HydrophobicContact CD1-SD 4.16Å; F64-M103 HydrophobicContact CD2-CE 4.32Å; F64-M103 HydrophobicContact CE1-CE 3.8Å; F64-M103 HydrophobicContact CE1-SD 3.86Å; F64-M103 HydrophobicContact CE2-CE 4.39Å; F64-M103 HydrophobicContact CG-CE 3.97Å; F64-M103 HydrophobicContact CZ-CE 4.14Å; F64-M103 HydrophobicContact CZ-SD 4.41Å; F64-V114 HydrophobicContact CD2-CG2 4.4Å; F64-V114 HydrophobicContact CE2-CB 4.38Å; F64-V114 HydrophobicContact CE2-CG1 3.85Å; F64-V114 HydrophobicContact CE2-CG2 4.29Å; F64-V114 HydrophobicContact CZ-CG1 4.09Å; F64-L122 HydrophobicContact CD2-CD1 4.5Å; F64-L122 HydrophobicContact CD2-CD2 4.28Å; F64-L122 HydrophobicContact CE2-CD1 4.39Å; F64-L122 HydrophobicContact CE2-CD2 3.83Å; F64-L122 HydrophobicContact CE2-CG 4.22Å |
| 65 | N | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 90.2 | -169.5 | 177.2 | -138 | 0 | 0 | 0 | 113.2 | F44 Q45 H63 R67 V75 | F44-N65 WeakPolarHBondContact O-CA 3.44Å; F44-N65 PolarHBondContact O-ND2 2.81Å; Q45-N65 HydrophobicContact CB-CB 4.21Å; H63-N65 WeakPolarHBondContact NE2-CB 3.42Å; N65-R67 PolarHBondContact OD1-NE 3.09Å; N65-R67 PolarHBondContact OD1-NH2 3.01Å; N65-V75 PolarHBondContact N-O 3Å; N65-V75 PolarHBondContact O-N 3.04Å |
| 66 | P | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 131.3 | 167.4 | -24.7 | 37.3 | 0 | 0 | 0 | 111.8 | R43 F44 F64 F68 I74 F95 | R43-P66 VanDerWaalsContact CA-O 3.24Å; R43-P66 WeakPolarHBondContact CA-O 3.42Å; R43-P66 WeakPolarHBondContact CB-O 3.42Å; F44-P66 HydrophobicContact CD1-CB 4.39Å; F44-P66 HydrophobicContact CE1-CB 3.86Å; F44-P66 HydrophobicContact CE1-CG 3.95Å; F44-P66 HydrophobicContact CE2-CG 3.95Å; F44-P66 HydrophobicContact CZ-CB 4.04Å; F44-P66 HydrophobicContact CZ-CG 3.59Å; F44-P66 PolarHBondContact N-O 3.27Å; F44-P66 VanDerWaalsContact O-CD 3.31Å; F44-P66 WeakPolarHBondContact O-CD 3.16Å; F64-P66 HydrophobicContact CD1-CG 3.94Å; F64-P66 HydrophobicContact CE1-CG 3.45Å; F64-P66 VanDerWaalsContact CE1-CG 3.45Å; F64-P66 HydrophobicContact CZ-CG 4.27Å; P66-F68 HydrophobicContact CB-CE2 4.07Å; P66-F68 HydrophobicContact CB-CZ 4.16Å; P66-I74 HydrophobicContact CB-CG1 4.31Å; P66-I74 HydrophobicContact CG-CG1 4.29Å; P66-F95 HydrophobicContact CB-CD2 3.89Å; P66-F95 HydrophobicContact CB-CE2 4.22Å; P66-F95 HydrophobicContact CG-CD2 3.67Å; P66-F95 HydrophobicContact CG-CE2 3.48Å; P66-F95 VanDerWaalsContact CG-CE2 3.48Å; P66-F95 HydrophobicContact CG-CZ 4.27Å |
| 67 | R | 98.1 | Very high | 95.9 | Very high | 80 Ų | 80 | 38.4 Ų | 38.4 | 30% | 0.302 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139.6 | 177.8 | -58.2 | -178.3 | -176.2 | 172.5 | 6.9 | 109.4 | R43 N65 P72 C73 E87 N93 | R43-R67 HydrophobicContact CB-CG 4.2Å; N65-R67 PolarHBondContact OD1-NE 3.09Å; N65-R67 PolarHBondContact OD1-NH2 3.01Å; R67-P72 VanDerWaalsContact O-CA 3.31Å; R67-P72 WeakPolarHBondContact O-CA 3.5Å; R67-C73 PolarHBondContact N-O 3.31Å; R67-C73 PolarHBondContact O-N 2.8Å; R67-C73 VanDerWaalsContact O-N 3.09Å; R67-E87 IonicContact NH2-OE1 2.71Å; R67-N93 PolarHBondContact O-ND2 3.35Å |
| 68 | F | 96.6 | Very high | 96.2 | Very high | 25 Ų | 25 | 34.2 Ų | 34.2 | 11% | 0.11 | 16% | 0.162 | C | C | . | . | trans | -117.4 | -15 | -170.9 | -61.9 | -89 | 0 | 0 | 0 | 114.3 | V37 C41 E42 F44 P66 N93 F95 L97 | V37-F68 HydrophobicContact CG1-CE1 4.2Å; V37-F68 HydrophobicContact CG1-CE2 4Å; V37-F68 HydrophobicContact CG1-CZ 3.7Å; V37-F68 HydrophobicContact CG2-CZ 4.34Å; C41-F68 HydrophobicContact CB-CD2 4.37Å; E42-F68 PolarHBondContact O-N 2.85Å; F44-F68 AromaticContact CD1-CE2 3.97Å; F44-F68 HydrophobicContact CD1-CE2 3.97Å; F44-F68 HydrophobicContact CD1-CZ 4.46Å; F44-F68 AromaticContact CE1-CE2 3.93Å; F44-F68 HydrophobicContact CE1-CE2 3.93Å; F44-F68 AromaticContact CE1-CZ 3.97Å; F44-F68 HydrophobicContact CE1-CZ 3.97Å; P66-F68 HydrophobicContact CB-CE2 4.07Å; P66-F68 HydrophobicContact CB-CZ 4.16Å; F68-N93 WeakPolarHBondContact CE1-ND2 3.49Å; F68-F95 HydrophobicContact CE1-CB 3.85Å; F68-F95 HydrophobicContact CZ-CB 3.69Å; F68-L97 HydrophobicContact CB-CD1 4.43Å; F68-L97 HydrophobicContact CB-CD2 4.03Å; F68-L97 HydrophobicContact CB-CG 4.45Å; F68-L97 HydrophobicContact CD1-CD2 3.69Å; F68-L97 HydrophobicContact CD1-CG 3.85Å; F68-L97 HydrophobicContact CD2-CD2 4.26Å; F68-L97 HydrophobicContact CE1-CD2 4.19Å; F68-L97 HydrophobicContact CE1-CG 4.44Å; F68-L97 HydrophobicContact CG-CD2 3.72Å; F68-L97 HydrophobicContact CG-CG 4.28Å | ||
| 69 | K | 88.9 | Confident | 96.6 | Very high | 128 Ų | 128 | 33.7 Ų | 33.7 | 56% | 0.557 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -90.7 | 145.7 | -178.5 | -76.9 | -172.7 | 165.7 | -179 | 0 | 113 | E42 S71 | E42-K69 HydrophobicContact CB-CD 4.24Å; E42-K69 HydrophobicContact CG-CD 4.02Å; E42-K69 WeakPolarHBondContact OE1-CE 3.23Å; E42-K69 IonicContact OE1-NZ 3.26Å; E42-K69 PolarHBondContact OE1-NZ 2.79Å; E42-K69 IonicContact OE2-NZ 3.84Å; K69-S71 PolarHBondContact O-N 3.23Å |
| 70 | R | 82 | Confident | 96.6 | Very high | 264 Ų | 264 | 36.4 Ų | 36.4 | 100% | 0.996 | 17% | 0.169 | S | C | * | . | S | Bend | trans | 60.9 | -59.2 | 176.1 | -60.5 | -177.7 | -179.7 | 175.8 | 0.2 | 115.3 | ||
| 71 | S | 89.5 | Confident | 96.5 | Very high | 68 Ų | 68 | 46.2 Ų | 46.2 | 48% | 0.476 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -137.4 | 94.9 | 177.4 | -174.9 | 0 | 0 | 0 | 0 | 107.7 | K69 C73 | K69-S71 PolarHBondContact O-N 3.23Å; S71-C73 PolarHBondContact O-N 2.78Å |
| 72 | P | 94.5 | Very high | 96.4 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 42% | 0.422 | 23% | 0.229 | S | C | . | . | trans | -58.6 | 125.3 | -178.9 | -25.2 | 34.4 | 0 | 0 | 0 | 111.4 | R67 N93 | R67-P72 VanDerWaalsContact O-CA 3.31Å; R67-P72 WeakPolarHBondContact O-CA 3.5Å; P72-N93 HydrophobicContact CB-CB 3.95Å | ||
| 73 | C | 97.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 56 Ų | 56 | 8% | 0.081 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 170.6 | -177.7 | 67.1 | 0 | 0 | 0 | 0 | 111 | R67 S71 I89 L90 Y91 | R67-C73 PolarHBondContact N-O 3.31Å; R67-C73 PolarHBondContact O-N 2.8Å; R67-C73 VanDerWaalsContact O-N 3.09Å; S71-C73 PolarHBondContact O-N 2.78Å; C73-I89 HydrophobicContact CB-CG2 3.92Å; C73-L90 CarbonylContact C-O 3.53Å; C73-L90 WeakPolarHBondContact CA-O 3.31Å; C73-L90 VanDerWaalsContact CB-O 3.28Å; C73-L90 WeakPolarHBondContact CB-O 3.21Å; C73-Y91 HydrophobicContact CB-CD1 4.49Å |
| 74 | I | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.8 | 165.4 | -61.2 | 170 | 0 | 0 | 0 | 106.6 | F64 P66 L90 A94 F95 V121 L122 | F64-I74 HydrophobicContact CD2-CG2 3.83Å; F64-I74 HydrophobicContact CE1-CG2 4.3Å; F64-I74 HydrophobicContact CE2-CD1 4.37Å; F64-I74 HydrophobicContact CE2-CG2 3.53Å; F64-I74 HydrophobicContact CG-CG2 4.36Å; F64-I74 HydrophobicContact CZ-CD1 3.92Å; F64-I74 HydrophobicContact CZ-CG2 3.79Å; P66-I74 HydrophobicContact CB-CG1 4.31Å; P66-I74 HydrophobicContact CG-CG1 4.29Å; I74-L90 HydrophobicContact CB-CB 4.39Å; I74-L90 HydrophobicContact CD1-CD2 4.45Å; I74-L90 PolarHBondContact N-O 2.93Å; I74-L90 PolarHBondContact O-N 2.91Å; I74-A94 HydrophobicContact CD1-CB 4.33Å; I74-F95 HydrophobicContact CD1-CD2 4.41Å; I74-F95 HydrophobicContact CD1-CE2 4.23Å; I74-V121 HydrophobicContact CD1-CG1 3.75Å; I74-L122 HydrophobicContact CG2-CD2 3.9Å |
| 75 | V | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.2 | 175.3 | 180 | 0 | 0 | 0 | 0 | 108.9 | N65 E87 I89 | N65-V75 PolarHBondContact N-O 3Å; N65-V75 PolarHBondContact O-N 3.04Å; V75-E87 HydrophobicContact CG1-CB 4.26Å; V75-E87 HydrophobicContact CG1-CG 4.01Å; V75-I89 HydrophobicContact CG2-CG1 4.26Å; V75-I89 HydrophobicContact CG2-CG2 4.41Å |
| 76 | C | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.2 | 174.6 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | F62 H63 E88 Y124 | F62-C76 HydrophobicContact CE2-CB 4.07Å; H63-C76 WeakPolarHBondContact O-CA 3.28Å; C76-E88 HydrophobicContact CB-CB 4.29Å; C76-E88 PolarHBondContact N-O 2.88Å; C76-E88 PolarHBondContact O-N 3.37Å; C76-Y124 HydrophobicContact CB-CD2 3.69Å; C76-Y124 HydrophobicContact CB-CE2 3.78Å |
| 77 | N | 98.9 | Very high | 96.4 | Very high | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 177.6 | 177.3 | -149.5 | -15.5 | 0 | 0 | 0 | 112.1 | H63 W84 G85 K86 E87 Y124 R127 | H63-N77 VanDerWaalsContact CB-O 3.24Å; H63-N77 WeakPolarHBondContact CB-O 3.44Å; H63-N77 PolarHBondContact N-O 2.73Å; H63-N77 PolarHBondContact O-N 2.91Å; N77-W84 HydrophobicContact CB-CE3 3.73Å; N77-W84 HydrophobicContact CB-CZ3 3.88Å; N77-G85 PolarHBondContact ND2-O 3.04Å; N77-G85 WeakPolarHBondContact OD1-CA 3.39Å; N77-G85 PolarHBondContact OD1-N 2.86Å; N77-G85 PolarHBondContact OD1-O 3.24Å; N77-K86 PolarHBondContact OD1-O 3.28Å; N77-E87 WeakPolarHBondContact ND2-CG 3.31Å; N77-Y124 VanDerWaalsContact CA-OH 3.28Å; N77-Y124 WeakPolarHBondContact CA-OH 3.45Å; N77-Y124 PolarHBondContact O-OH 3.47Å; N77-R127 PolarHBondContact OD1-NH1 3.27Å; N77-R127 VanDerWaalsContact OD1-NH1 3.17Å |
| 78 | T | 98.9 | Very high | 96.4 | Very high | 9 Ų | 9 | 74.8 Ų | 74.8 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.8 | 172 | -66.1 | 0 | 0 | 0 | 0 | 108 | I60 A61 G85 Y124 R127 L128 | I60-T78 CarbonylContact O-C 3.52Å; I60-T78 VanDerWaalsContact O-CA 3.24Å; I60-T78 WeakPolarHBondContact O-CA 3.4Å; I60-T78 WeakPolarHBondContact O-CG2 3.35Å; A61-T78 PolarHBondContact O-OG1 3.13Å; T78-G85 PolarHBondContact O-N 2.85Å; T78-Y124 PolarHBondContact N-OH 2.6Å; T78-Y124 PolarHBondContact OG1-OH 2.93Å; T78-R127 HydrophobicContact CG2-CB 4.17Å; T78-R127 WeakPolarHBondContact OG1-CD 3.4Å; T78-L128 HydrophobicContact CG2-CD1 3.73Å; T78-L128 HydrophobicContact CG2-CD2 4.22Å; T78-L128 HydrophobicContact CG2-CG 3.58Å |
| 79 | L | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.7 | 169.4 | -173 | 83.4 | 0 | 0 | 0 | 107.7 | R57 D59 I60 T83 W84 | R57-L79 HydrophobicContact CG-CD2 4Å; D59-L79 CarbonylContact C-O 3.56Å; D59-L79 VanDerWaalsContact CA-O 3.3Å; D59-L79 WeakPolarHBondContact CA-O 3.38Å; I60-L79 HydrophobicContact CB-CB 3.82Å; I60-L79 HydrophobicContact CD1-CB 3.9Å; I60-L79 HydrophobicContact CD1-CD2 3.9Å; I60-L79 HydrophobicContact CG1-CB 3.97Å; I60-L79 HydrophobicContact CG1-CD2 4.2Å; I60-L79 PolarHBondContact N-O 3.38Å; I60-L79 PolarHBondContact O-N 3.26Å; L79-T83 WeakPolarHBondContact CA-O 3.47Å; L79-W84 HydrophobicContact CB-CD2 4.32Å; L79-W84 HydrophobicContact CB-CE3 3.93Å; L79-W84 HydrophobicContact CB-CH2 4.2Å; L79-W84 HydrophobicContact CB-CZ3 3.87Å; L79-W84 HydrophobicContact CD1-CD2 3.61Å; L79-W84 HydrophobicContact CD1-CE3 4.1Å; L79-W84 HydrophobicContact CD1-CG 3.8Å; L79-W84 HydrophobicContact CD1-CZ2 4.23Å |
| 80 | E | 98.3 | Very high | 96.8 | Very high | 90 Ų | 90 | 73.1 Ų | 73.1 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.2 | 173.2 | -175 | 174.2 | -134.8 | 0 | 0 | 108.7 | D59 E82 T83 L128 | D59-E80 WeakPolarHBondContact OD1-CA 3.4Å; E80-E82 VanDerWaalsContact C-N 3.29Å; E80-E82 PolarHBondContact O-N 2.81Å; E80-T83 PolarHBondContact N-O 2.87Å; E80-T83 PolarHBondContact O-N 2.85Å; E80-L128 HydrophobicContact CB-CD2 4.27Å; E80-L128 HydrophobicContact CG-CD2 4.15Å; E80-L128 VanDerWaalsContact OE1-CD2 3.32Å; E80-L128 WeakPolarHBondContact OE1-CD2 3.3Å |
| 81 | R | 96.2 | Very high | 97.4 | Very high | 208 Ų | 208 | 68.7 Ų | 68.7 | 79% | 0.785 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 50.3 | -177.6 | -58.9 | 173.4 | -174.2 | -176.5 | 1.7 | 111.9 | D59 T83 | D59-R81 PolarHBondContact OD1-N 2.75Å; R81-T83 PolarHBondContact O-N 2.84Å; R81-T83 PolarHBondContact O-OG1 2.88Å |
| 82 | E | 96.7 | Very high | 97.4 | Very high | 110 Ų | 110 | 72.9 Ų | 72.9 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 13.4 | -179.7 | -49.4 | -168.7 | 116.1 | 0 | 0 | 115.3 | P56 R57 E80 | P56-E82 HydrophobicContact CB-CG 4.25Å; R57-E82 HydrophobicContact CB-CG 4.13Å; R57-E82 WeakPolarHBondContact CB-OE1 3.04Å; R57-E82 PolarHBondContact N-OE1 3.45Å; E80-E82 VanDerWaalsContact C-N 3.29Å; E80-E82 PolarHBondContact O-N 2.81Å |
| 83 | T | 98.4 | Very high | 97.3 | Very high | 98 Ų | 98 | 71 Ų | 71 | 60% | 0.601 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 128.2 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 110.9 | L79 E80 R81 | L79-T83 WeakPolarHBondContact CA-O 3.47Å; E80-T83 PolarHBondContact N-O 2.87Å; E80-T83 PolarHBondContact O-N 2.85Å; R81-T83 PolarHBondContact O-N 2.84Å; R81-T83 PolarHBondContact O-OG1 2.88Å |
| 84 | W | 98.8 | Very high | 97.1 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 39% | 0.394 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 137.4 | 176.7 | -74.6 | 110.1 | 0 | 0 | 0 | 111.3 | I60 H63 N77 L79 | I60-W84 HydrophobicContact CD1-CH2 3.66Å; I60-W84 HydrophobicContact CD1-CZ2 4.24Å; I60-W84 HydrophobicContact CD1-CZ3 4.37Å; H63-W84 HydrophobicContact CB-CH2 3.81Å; H63-W84 HydrophobicContact CB-CZ3 3.66Å; H63-W84 AromaticContact CD2-CH2 3.68Å; H63-W84 AromaticContact CD2-CZ3 3.87Å; H63-W84 AromaticContact CG-CH2 3.5Å; H63-W84 AromaticContact CG-CZ3 3.76Å; H63-W84 AromaticContact ND1-CH2 3.75Å; N77-W84 HydrophobicContact CB-CE3 3.73Å; N77-W84 HydrophobicContact CB-CZ3 3.88Å; L79-W84 HydrophobicContact CB-CD2 4.32Å; L79-W84 HydrophobicContact CB-CE3 3.93Å; L79-W84 HydrophobicContact CB-CH2 4.2Å; L79-W84 HydrophobicContact CB-CZ3 3.87Å; L79-W84 HydrophobicContact CD1-CD2 3.61Å; L79-W84 HydrophobicContact CD1-CE3 4.1Å; L79-W84 HydrophobicContact CD1-CG 3.8Å; L79-W84 HydrophobicContact CD1-CZ2 4.23Å |
| 85 | G | 98.7 | Very high | 97 | Very high | 41 Ų | 41 | 72.3 Ų | 72.3 | 42% | 0.423 | 34% | 0.341 | S | S | . | . | trans | -79.2 | -161.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N77 T78 E87 | N77-G85 PolarHBondContact ND2-O 3.04Å; N77-G85 WeakPolarHBondContact OD1-CA 3.39Å; N77-G85 PolarHBondContact OD1-N 2.86Å; N77-G85 PolarHBondContact OD1-O 3.24Å; T78-G85 PolarHBondContact O-N 2.85Å; G85-E87 PolarHBondContact O-N 2.99Å | ||
| 86 | K | 98.5 | Very high | 96.8 | Very high | 174 Ų | 174 | 76.4 Ų | 76.4 | 76% | 0.757 | 37% | 0.366 | S | S | * | . | trans | -71.5 | 124 | 176 | -176.8 | -178.4 | 177.2 | -175.4 | 0 | 111.2 | N77 R127 | N77-K86 PolarHBondContact OD1-O 3.28Å; K86-R127 VanDerWaalsContact O-CZ 3.28Å; K86-R127 PolarHBondContact O-NH1 2.72Å; K86-R127 PolarHBondContact O-NH2 2.9Å | ||
| 87 | E | 98.6 | Very high | 96.8 | Very high | 93 Ų | 93 | 79.8 Ų | 79.8 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | trans | -65.6 | 139.4 | 174.7 | -67.5 | -171.6 | 146.6 | 0 | 0 | 111.9 | R67 V75 N77 G85 I89 | R67-E87 IonicContact NH2-OE1 2.71Å; V75-E87 HydrophobicContact CG1-CB 4.26Å; V75-E87 HydrophobicContact CG1-CG 4.01Å; N77-E87 WeakPolarHBondContact ND2-CG 3.31Å; G85-E87 PolarHBondContact O-N 2.99Å; E87-I89 HydrophobicContact CB-CD1 4.47Å; E87-I89 HydrophobicContact CB-CG1 4.17Å | ||
| 88 | E | 98.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 81.9 Ų | 81.9 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 119.6 | 164.1 | -71.7 | 178.1 | -136.2 | 0 | 0 | 107.9 | C76 Y124 R127 | C76-E88 HydrophobicContact CB-CB 4.29Å; C76-E88 PolarHBondContact N-O 2.88Å; C76-E88 PolarHBondContact O-N 3.37Å; E88-Y124 HydrophobicContact CB-CE2 4.42Å; E88-Y124 HydrophobicContact CG-CE2 4.36Å; E88-Y124 WeakPolarHBondContact OE1-CE2 3.49Å; E88-R127 IonicContact OE1-CZ 2.86Å; E88-R127 IonicContact OE1-NE 3.88Å; E88-R127 IonicContact OE1-NH2 2.72Å; E88-R127 PolarHBondContact OE1-NH2 3Å |
| 89 | I | 98.1 | Very high | 96.4 | Very high | 60 Ų | 60 | 83.8 Ų | 83.8 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.1 | -171.6 | -52.5 | 178.8 | 0 | 0 | 0 | 109.7 | C73 V75 E87 Y91 | C73-I89 HydrophobicContact CB-CG2 3.92Å; V75-I89 HydrophobicContact CG2-CG1 4.26Å; V75-I89 HydrophobicContact CG2-CG2 4.41Å; E87-I89 HydrophobicContact CB-CD1 4.47Å; E87-I89 HydrophobicContact CB-CG1 4.17Å; I89-Y91 HydrophobicContact CB-CE2 4.21Å; I89-Y91 HydrophobicContact CG2-CD1 4.07Å; I89-Y91 HydrophobicContact CG2-CD2 4.28Å; I89-Y91 HydrophobicContact CG2-CE1 3.8Å; I89-Y91 HydrophobicContact CG2-CE2 4.02Å; I89-Y91 HydrophobicContact CG2-CG 4.31Å |
| 90 | L | 96.9 | Very high | 96.2 | Very high | 58 Ų | 58 | 88.6 Ų | 88.6 | 30% | 0.304 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.4 | 166.4 | -179.1 | 64.5 | 0 | 0 | 0 | 108.9 | C73 I74 K92 V121 L122 | C73-L90 CarbonylContact C-O 3.53Å; C73-L90 WeakPolarHBondContact CA-O 3.31Å; C73-L90 VanDerWaalsContact CB-O 3.28Å; C73-L90 WeakPolarHBondContact CB-O 3.21Å; I74-L90 HydrophobicContact CB-CB 4.39Å; I74-L90 HydrophobicContact CD1-CD2 4.45Å; I74-L90 PolarHBondContact N-O 2.93Å; I74-L90 PolarHBondContact O-N 2.91Å; L90-K92 HydrophobicContact CG-CB 4.36Å; L90-K92 PolarHBondContact O-N 2.92Å; L90-V121 HydrophobicContact CD2-CG1 3.61Å; L90-V121 WeakPolarHBondContact CD2-O 3.45Å; L90-L122 HydrophobicContact CD2-CB 4.49Å; L90-L122 HydrophobicContact CD2-CD2 4.39Å |
| 91 | Y | 94.8 | Very high | 96.2 | Very high | 170 Ų | 170 | 84.8 Ų | 84.8 | 67% | 0.667 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -75.7 | 37.1 | 178.2 | -64.4 | -79.5 | 0 | 0 | 0 | 113.6 | C73 I89 | C73-Y91 HydrophobicContact CB-CD1 4.49Å; I89-Y91 HydrophobicContact CB-CE2 4.21Å; I89-Y91 HydrophobicContact CG2-CD1 4.07Å; I89-Y91 HydrophobicContact CG2-CD2 4.28Å; I89-Y91 HydrophobicContact CG2-CE1 3.8Å; I89-Y91 HydrophobicContact CG2-CE2 4.02Å; I89-Y91 HydrophobicContact CG2-CG 4.31Å |
| 92 | K | 89.3 | Confident | 96.2 | Very high | 156 Ų | 156 | 78.1 Ų | 78.1 | 68% | 0.678 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -146.3 | 124.3 | 172.6 | -176.9 | 179.5 | 178.7 | -176.8 | 0 | 107.5 | L90 | L90-K92 HydrophobicContact CG-CB 4.36Å; L90-K92 PolarHBondContact O-N 2.92Å |
| 93 | N | 91.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 72.9 Ų | 72.9 | 14% | 0.139 | 39% | 0.385 | C | S | . | . | trans | -92.9 | 123 | 176.6 | -161.1 | -30.8 | 0 | 0 | 0 | 109.5 | R67 F68 P72 F95 | R67-N93 PolarHBondContact O-ND2 3.35Å; F68-N93 WeakPolarHBondContact CE1-ND2 3.49Å; P72-N93 HydrophobicContact CB-CB 3.95Å; N93-F95 WeakPolarHBondContact OD1-CB 3.23Å; N93-F95 VanDerWaalsContact OD1-CD2 3.31Å; N93-F95 WeakPolarHBondContact OD1-CD2 3.24Å; N93-F95 PolarHBondContact OD1-N 2.83Å | ||
| 94 | A | 92.9 | Very high | 96.2 | Very high | 31 Ų | 31 | 70.6 Ų | 70.6 | 26% | 0.256 | 37% | 0.369 | S | S | . | . | trans | -80.6 | -6.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | I74 V116 V121 | I74-A94 HydrophobicContact CD1-CB 4.33Å; A94-V116 HydrophobicContact CB-CB 3.96Å; A94-V116 HydrophobicContact CB-CG1 4.21Å; A94-V116 HydrophobicContact CB-CG2 4.26Å; A94-V121 HydrophobicContact CB-CB 4.49Å; A94-V121 HydrophobicContact CB-CG1 4.06Å; A94-V121 HydrophobicContact CB-CG2 3.54Å | ||
| 95 | F | 97.1 | Very high | 96.2 | Very high | 8 Ų | 8 | 65.7 Ų | 65.7 | 4% | 0.035 | 35% | 0.35 | C | S | . | . | trans | -102.3 | 150.7 | 179.5 | -59.2 | -92.3 | 0 | 0 | 0 | 111 | V37 F44 F64 P66 F68 I74 N93 F101 M103 V116 | V37-F95 HydrophobicContact CG2-CB 4.1Å; V37-F95 HydrophobicContact CG2-CD1 4.19Å; F44-F95 HydrophobicContact CE1-CD1 4.36Å; F44-F95 HydrophobicContact CE1-CG 4.36Å; F44-F95 AromaticContact CZ-CD1 3.88Å; F44-F95 HydrophobicContact CZ-CD1 3.88Å; F44-F95 HydrophobicContact CZ-CD2 4.29Å; F44-F95 AromaticContact CZ-CE1 3.79Å; F44-F95 HydrophobicContact CZ-CE1 3.79Å; F44-F95 HydrophobicContact CZ-CE2 4.22Å; F44-F95 HydrophobicContact CZ-CG 4.14Å; F44-F95 AromaticContact CZ-CZ 3.97Å; F44-F95 HydrophobicContact CZ-CZ 3.97Å; F64-F95 AromaticContact CE1-CE2 3.56Å; F64-F95 HydrophobicContact CE1-CE2 3.56Å; F64-F95 AromaticContact CE1-CZ 3.76Å; F64-F95 HydrophobicContact CE1-CZ 3.76Å; F64-F95 AromaticContact CZ-CE2 3.73Å; F64-F95 HydrophobicContact CZ-CE2 3.73Å; F64-F95 HydrophobicContact CZ-CZ 4.12Å; P66-F95 HydrophobicContact CB-CD2 3.89Å; P66-F95 HydrophobicContact CB-CE2 4.22Å; P66-F95 HydrophobicContact CG-CD2 3.67Å; P66-F95 HydrophobicContact CG-CE2 3.48Å; P66-F95 VanDerWaalsContact CG-CE2 3.48Å; P66-F95 HydrophobicContact CG-CZ 4.27Å; F68-F95 HydrophobicContact CE1-CB 3.85Å; F68-F95 HydrophobicContact CZ-CB 3.69Å; I74-F95 HydrophobicContact CD1-CD2 4.41Å; I74-F95 HydrophobicContact CD1-CE2 4.23Å; N93-F95 WeakPolarHBondContact OD1-CB 3.23Å; N93-F95 VanDerWaalsContact OD1-CD2 3.31Å; N93-F95 WeakPolarHBondContact OD1-CD2 3.24Å; N93-F95 PolarHBondContact OD1-N 2.83Å; F95-F101 HydrophobicContact CD1-CB 3.85Å; F95-F101 AromaticContact CD1-CD1 3.88Å; F95-F101 HydrophobicContact CD1-CD1 3.88Å; F95-F101 HydrophobicContact CD1-CD2 4.2Å; F95-F101 HydrophobicContact CD1-CE1 4.43Å; F95-F101 AromaticContact CD1-CG 3.72Å; F95-F101 HydrophobicContact CD1-CG 3.72Å; F95-F101 HydrophobicContact CE1-CB 4Å; F95-F101 HydrophobicContact CE1-CD1 4.07Å; F95-F101 AromaticContact CE1-CD2 3.61Å; F95-F101 HydrophobicContact CE1-CD2 3.61Å; F95-F101 HydrophobicContact CE1-CE1 4.4Å; F95-F101 HydrophobicContact CE1-CE2 4Å; F95-F101 AromaticContact CE1-CG 3.63Å; F95-F101 HydrophobicContact CE1-CG 3.63Å; F95-F101 HydrophobicContact CE1-CZ 4.36Å; F95-M103 HydrophobicContact CZ-SD 4.12Å; F95-V116 HydrophobicContact CD1-CG1 4.22Å; F95-V116 HydrophobicContact CE1-CG1 3.96Å; F95-V116 HydrophobicContact CE1-CG2 4.14Å; F95-V116 HydrophobicContact CE2-CG2 3.95Å; F95-V116 HydrophobicContact CZ-CG1 4.17Å; F95-V116 HydrophobicContact CZ-CG2 3.56Å | ||
| 96 | T | 95.3 | Very high | 96.2 | Very high | 88 Ų | 88 | 65.7 Ų | 65.7 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | trans | -120.2 | 131.3 | 178.9 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | S99 | T96-S99 WeakPolarHBondContact CG2-OG 3.34Å; T96-S99 WeakPolarHBondContact O-CB 3.29Å; T96-S99 PolarHBondContact O-N 2.88Å | ||
| 97 | L | 97.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 57.4 Ų | 57.4 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 137.1 | 175.7 | -67.8 | 173.8 | 0 | 0 | 0 | 110.6 | V37 P38 C41 F68 S99 | V37-L97 HydrophobicContact CG1-CD2 3.93Å; P38-L97 WeakPolarHBondContact O-CD2 3.49Å; C41-L97 HydrophobicContact CB-CD2 3.68Å; C41-L97 WeakPolarHBondContact O-CD2 3.4Å; F68-L97 HydrophobicContact CB-CD1 4.43Å; F68-L97 HydrophobicContact CB-CD2 4.03Å; F68-L97 HydrophobicContact CB-CG 4.45Å; F68-L97 HydrophobicContact CD1-CD2 3.69Å; F68-L97 HydrophobicContact CD1-CG 3.85Å; F68-L97 HydrophobicContact CD2-CD2 4.26Å; F68-L97 HydrophobicContact CE1-CD2 4.19Å; F68-L97 HydrophobicContact CE1-CG 4.44Å; F68-L97 HydrophobicContact CG-CD2 3.72Å; F68-L97 HydrophobicContact CG-CG 4.28Å; L97-S99 PolarHBondContact O-N 2.75Å |
| 98 | G | 95.1 | Very high | 96 | Very high | 48 Ų | 48 | 56.1 Ų | 56.1 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 0.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V37 | V37-G98 CarbonylContact O-C 3.57Å; V37-G98 WeakPolarHBondContact O-CA 3.47Å; V37-G98 PolarHBondContact O-N 2.69Å |
| 99 | S | 95.1 | Very high | 95.8 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | trans | -106.2 | 154.5 | -174.9 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | T36 V37 T96 L97 | T36-S99 WeakPolarHBondContact CA-O 3.16Å; V37-S99 PolarHBondContact N-O 2.9Å; T96-S99 WeakPolarHBondContact CG2-OG 3.34Å; T96-S99 WeakPolarHBondContact O-CB 3.29Å; T96-S99 PolarHBondContact O-N 2.88Å; L97-S99 PolarHBondContact O-N 2.75Å | ||
| 100 | T | 94.4 | Very high | 95.6 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 158.1 | 166.7 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | G35 | G35-T100 CarbonylContact O-C 3.56Å; G35-T100 WeakPolarHBondContact O-CA 3.28Å |
| 101 | F | 97.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.7 | 171.7 | 68.2 | -96.9 | 0 | 0 | 0 | 111.4 | I33 Q34 G35 V37 F44 F95 M103 N117 V142 | I33-F101 HydrophobicContact CG2-CE2 4.07Å; I33-F101 HydrophobicContact CG2-CZ 4.47Å; Q34-F101 WeakPolarHBondContact CA-O 3.29Å; G35-F101 VanDerWaalsContact CA-CE1 3.47Å; G35-F101 PolarHBondContact N-O 3.43Å; G35-F101 PolarHBondContact O-N 3.32Å; V37-F101 HydrophobicContact CG2-CD1 3.75Å; V37-F101 HydrophobicContact CG2-CE1 3.96Å; F44-F101 HydrophobicContact CZ-CE1 4.47Å; F44-F101 HydrophobicContact CZ-CZ 4.48Å; F95-F101 HydrophobicContact CD1-CB 3.85Å; F95-F101 AromaticContact CD1-CD1 3.88Å; F95-F101 HydrophobicContact CD1-CD1 3.88Å; F95-F101 HydrophobicContact CD1-CD2 4.2Å; F95-F101 HydrophobicContact CD1-CE1 4.43Å; F95-F101 AromaticContact CD1-CG 3.72Å; F95-F101 HydrophobicContact CD1-CG 3.72Å; F95-F101 HydrophobicContact CE1-CB 4Å; F95-F101 HydrophobicContact CE1-CD1 4.07Å; F95-F101 AromaticContact CE1-CD2 3.61Å; F95-F101 HydrophobicContact CE1-CD2 3.61Å; F95-F101 HydrophobicContact CE1-CE1 4.4Å; F95-F101 HydrophobicContact CE1-CE2 4Å; F95-F101 AromaticContact CE1-CG 3.63Å; F95-F101 HydrophobicContact CE1-CG 3.63Å; F95-F101 HydrophobicContact CE1-CZ 4.36Å; F101-M103 HydrophobicContact CD2-CB 4.07Å; F101-M103 HydrophobicContact CE2-CB 4.14Å; F101-N117 WeakPolarHBondContact CA-OD1 3.23Å; F101-V142 HydrophobicContact CE1-CG2 3.7Å; F101-V142 HydrophobicContact CZ-CG2 3.9Å |
| 102 | E | 96.8 | Very high | 95.8 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.1 | 161.6 | -179.9 | 172 | 91.6 | 0 | 0 | 108.4 | L32 Q34 I104 V116 N117 | L32-E102 HydrophobicContact CD1-CG 3.48Å; L32-E102 VanDerWaalsContact CD1-CG 3.48Å; Q34-E102 HydrophobicContact CG-CB 4.47Å; Q34-E102 HydrophobicContact CG-CG 4.25Å; Q34-E102 PolarHBondContact NE2-OE2 2.79Å; E102-I104 HydrophobicContact CG-CG1 4.42Å; E102-V116 CarbonylContact O-C 3.53Å; E102-V116 VanDerWaalsContact O-CA 3.23Å; E102-V116 WeakPolarHBondContact O-CA 3.34Å; E102-N117 PolarHBondContact N-OD1 2.78Å; E102-N117 PolarHBondContact O-N 2.91Å |
| 103 | M | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.5 | 174.5 | 172.7 | 174.3 | 172.9 | 0 | 0 | 108.9 | L32 I33 V46 F64 F95 F101 V105 V114 A115 V116 | L32-M103 CarbonylContact C-O 3.48Å; L32-M103 WeakPolarHBondContact CA-O 3.32Å; I33-M103 HydrophobicContact CB-CB 4.33Å; I33-M103 HydrophobicContact CD1-SD 4.47Å; I33-M103 PolarHBondContact N-O 2.9Å; I33-M103 PolarHBondContact O-N 3Å; V46-M103 HydrophobicContact CB-CE 4.48Å; V46-M103 HydrophobicContact CG1-CE 4.46Å; V46-M103 HydrophobicContact CG2-SD 4.33Å; F64-M103 HydrophobicContact CD1-CE 3.7Å; F64-M103 HydrophobicContact CD1-SD 4.16Å; F64-M103 HydrophobicContact CD2-CE 4.32Å; F64-M103 HydrophobicContact CE1-CE 3.8Å; F64-M103 HydrophobicContact CE1-SD 3.86Å; F64-M103 HydrophobicContact CE2-CE 4.39Å; F64-M103 HydrophobicContact CG-CE 3.97Å; F64-M103 HydrophobicContact CZ-CE 4.14Å; F64-M103 HydrophobicContact CZ-SD 4.41Å; F95-M103 HydrophobicContact CZ-SD 4.12Å; F101-M103 HydrophobicContact CD2-CB 4.07Å; F101-M103 HydrophobicContact CE2-CB 4.14Å; M103-V105 HydrophobicContact CE-CG2 3.41Å; M103-V105 VanDerWaalsContact CE-CG2 3.41Å; M103-V105 HydrophobicContact CG-CG2 4.35Å; M103-V114 HydrophobicContact CE-CG1 3.97Å; M103-V114 HydrophobicContact CG-CG1 4.31Å; M103-A115 WeakPolarHBondContact CA-O 3.29Å; M103-V116 HydrophobicContact CB-CG2 4.34Å; M103-V116 HydrophobicContact CG-CG2 4.37Å |
| 104 | I | 97.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 47 Ų | 47 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125 | 173.8 | -61.8 | 172.8 | 0 | 0 | 0 | 107.9 | M30 V31 L32 E102 V114 A115 | M30-I104 HydrophobicContact CB-CG2 4.39Å; M30-I104 HydrophobicContact SD-CG2 4.43Å; V31-I104 CarbonylContact O-C 3.53Å; V31-I104 WeakPolarHBondContact O-CA 3.45Å; L32-I104 HydrophobicContact CD1-CD1 4.4Å; L32-I104 HydrophobicContact CD1-CG1 3.78Å; E102-I104 HydrophobicContact CG-CG1 4.42Å; I104-V114 WeakPolarHBondContact O-CA 3.4Å; I104-A115 PolarHBondContact N-O 2.67Å; I104-A115 PolarHBondContact O-N 3.02Å |
| 105 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 108.1 | 170.2 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | M30 V31 F48 F62 M103 F112 K113 V114 | M30-V105 CarbonylContact C-O 3.52Å; M30-V105 WeakPolarHBondContact CA-O 3.37Å; V31-V105 HydrophobicContact CB-CB 4.34Å; V31-V105 PolarHBondContact N-O 2.79Å; V31-V105 PolarHBondContact O-N 2.64Å; F48-V105 HydrophobicContact CE2-CB 4.39Å; F48-V105 HydrophobicContact CE2-CG1 4.05Å; F48-V105 HydrophobicContact CE2-CG2 4.12Å; F48-V105 HydrophobicContact CZ-CB 4.15Å; F48-V105 HydrophobicContact CZ-CG1 4.05Å; F48-V105 HydrophobicContact CZ-CG2 4.2Å; F62-V105 HydrophobicContact CE1-CG1 4.44Å; M103-V105 HydrophobicContact CE-CG2 3.41Å; M103-V105 VanDerWaalsContact CE-CG2 3.41Å; M103-V105 HydrophobicContact CG-CG2 4.35Å; V105-F112 HydrophobicContact CG1-CB 4.25Å; V105-F112 HydrophobicContact CG1-CD1 3.71Å; V105-F112 HydrophobicContact CG1-CG 4.42Å; V105-K113 CarbonylContact C-O 3.56Å; V105-K113 WeakPolarHBondContact CA-O 3.18Å; V105-V114 HydrophobicContact CG2-CG2 4.36Å |
| 106 | L | 97.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.8 | 169.8 | 170.8 | 65.4 | 0 | 0 | 0 | 108.7 | M30 Q108 K113 | M30-L106 HydrophobicContact CE-CD1 4.03Å; M30-L106 HydrophobicContact CG-CD1 3.84Å; L106-Q108 HydrophobicContact CD2-CG 4.18Å; L106-Q108 HydrophobicContact CG-CG 4.03Å; L106-K113 HydrophobicContact CB-CB 4.21Å; L106-K113 PolarHBondContact N-O 3.17Å; L106-K113 PolarHBondContact O-N 2.78Å |
| 107 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 118.8 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | L25 G28 E29 F112 L130 | L25-V107 HydrophobicContact CD1-CG2 3.78Å; L25-V107 HydrophobicContact CD2-CB 4.44Å; L25-V107 HydrophobicContact CD2-CG1 4.01Å; L25-V107 HydrophobicContact CD2-CG2 3.56Å; L25-V107 HydrophobicContact CG-CB 4.32Å; L25-V107 HydrophobicContact CG-CG1 3.96Å; L25-V107 HydrophobicContact CG-CG2 3.61Å; G28-V107 WeakPolarHBondContact CA-O 3.44Å; G28-V107 PolarHBondContact N-O 2.89Å; E29-V107 PolarHBondContact O-N 2.8Å; V107-F112 HydrophobicContact CG1-CE1 4.49Å; V107-F112 HydrophobicContact CG2-CD1 4.35Å; V107-F112 HydrophobicContact CG2-CE1 4.29Å; V107-L130 HydrophobicContact CG1-CD1 3.73Å; V107-L130 HydrophobicContact CG1-CD2 3.66Å; V107-L130 HydrophobicContact CG1-CG 4.31Å |
| 108 | Q | 95.1 | Very high | 95.3 | Very high | 67 Ų | 67 | 46.8 Ų | 46.8 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | trans | -110.5 | 173.7 | 172.1 | -60.1 | -158.5 | -49.8 | 0 | 0 | 110.2 | L106 D110 E111 H126 | L106-Q108 HydrophobicContact CD2-CG 4.18Å; L106-Q108 HydrophobicContact CG-CG 4.03Å; Q108-D110 PolarHBondContact O-N 2.84Å; Q108-E111 WeakPolarHBondContact CA-O 3.48Å; Q108-E111 HydrophobicContact CB-CG 4.2Å; Q108-E111 WeakPolarHBondContact CB-O 3.47Å; Q108-E111 PolarHBondContact N-O 2.92Å; Q108-E111 PolarHBondContact OE1-OE1 3.12Å; Q108-H126 PolarHBondContact O-NE2 3.13Å | ||
| 109 | K | 94.4 | Very high | 94.9 | Very high | 158 Ų | 158 | 47.1 Ų | 47.1 | 69% | 0.687 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -57.8 | -39.3 | -178.6 | -173.8 | -175.6 | 173.4 | -173.7 | 0 | 112.4 | H126 | K109-H126 PolarHBondContact O-CD2 2.97Å; K109-H126 VanDerWaalsContact O-CD2 3.22Å |
| 110 | D | 95.2 | Very high | 94.9 | Very high | 111 Ų | 111 | 50.1 Ų | 50.1 | 59% | 0.594 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -115.2 | -11 | -170.5 | -51.9 | -52.8 | 0 | 0 | 0 | 113.1 | Q108 H126 | Q108-D110 PolarHBondContact O-N 2.84Å; D110-H126 PolarHBondContact O-N 2.8Å |
| 111 | E | 97.8 | Very high | 95 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 162.1 | -173.4 | 62.7 | -178.6 | 173.8 | 0 | 0 | 114.2 | Q108 K113 Q123 Y124 H126 | Q108-E111 WeakPolarHBondContact CA-O 3.48Å; Q108-E111 HydrophobicContact CB-CG 4.2Å; Q108-E111 WeakPolarHBondContact CB-O 3.47Å; Q108-E111 PolarHBondContact N-O 2.92Å; Q108-E111 PolarHBondContact OE1-OE1 3.12Å; E111-K113 HydrophobicContact CG-CG 4.37Å; E111-K113 WeakPolarHBondContact OE1-CE 3.33Å; E111-K113 IonicContact OE1-NZ 3.73Å; E111-K113 PolarHBondContact OE1-NZ 3.45Å; E111-Q123 WeakPolarHBondContact OE2-CB 3.32Å; E111-Q123 PolarHBondContact OE2-OE1 2.85Å; E111-Y124 CarbonylContact C-O 3.5Å; E111-Y124 VanDerWaalsContact CA-O 3.29Å; E111-Y124 WeakPolarHBondContact CA-O 3.37Å; E111-Y124 WeakPolarHBondContact CB-O 3.5Å; E111-H126 PolarHBondContact N-CD2 2.83Å; E111-H126 PolarHBondContact N-NE2 3.27Å |
| 112 | F | 98.7 | Very high | 95 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.5 | 160.7 | -62.9 | -84.8 | 0 | 0 | 0 | 110.1 | L25 F48 F62 V105 V107 Q123 Y124 H126 L130 | L25-F112 HydrophobicContact CD2-CE1 3.6Å; L25-F112 HydrophobicContact CD2-CZ 4.16Å; F48-F112 HydrophobicContact CD2-CE1 4.49Å; F48-F112 HydrophobicContact CG-CE1 4.39Å; F62-F112 HydrophobicContact CB-CD2 3.79Å; F62-F112 HydrophobicContact CB-CE2 3.54Å; F62-F112 HydrophobicContact CB-CG 4.43Å; F62-F112 HydrophobicContact CB-CZ 3.99Å; F62-F112 HydrophobicContact CD1-CB 4.01Å; F62-F112 AromaticContact CD1-CD1 3.96Å; F62-F112 HydrophobicContact CD1-CD1 3.96Å; F62-F112 AromaticContact CD1-CD2 3.84Å; F62-F112 HydrophobicContact CD1-CD2 3.84Å; F62-F112 HydrophobicContact CD1-CE1 4.37Å; F62-F112 HydrophobicContact CD1-CE2 4.29Å; F62-F112 AromaticContact CD1-CG 3.66Å; F62-F112 HydrophobicContact CD1-CG 3.66Å; F62-F112 HydrophobicContact CE1-CB 3.93Å; F62-F112 HydrophobicContact CE1-CG 4.11Å; F62-F112 AromaticContact CG-CD2 3.85Å; F62-F112 HydrophobicContact CG-CD2 3.85Å; F62-F112 HydrophobicContact CG-CE2 4.12Å; F62-F112 HydrophobicContact CG-CG 4.16Å; F62-F112 HydrophobicContact CZ-CB 4.48Å; V105-F112 HydrophobicContact CG1-CB 4.25Å; V105-F112 HydrophobicContact CG1-CD1 3.71Å; V105-F112 HydrophobicContact CG1-CG 4.42Å; V107-F112 HydrophobicContact CG1-CE1 4.49Å; V107-F112 HydrophobicContact CG2-CD1 4.35Å; V107-F112 HydrophobicContact CG2-CE1 4.29Å; F112-Q123 CarbonylContact O-C 3.55Å; F112-Q123 VanDerWaalsContact O-CA 3.26Å; F112-Q123 WeakPolarHBondContact O-CA 3.36Å; F112-Y124 HydrophobicContact CD2-CD1 4.28Å; F112-Y124 PolarHBondContact N-O 2.68Å; F112-Y124 PolarHBondContact O-N 2.82Å; F112-H126 AromaticContact CD2-CE1 3.43Å; F112-H126 VanDerWaalsContact CD2-CE1 3.43Å; F112-H126 WeakPolarHBondContact CD2-CE1 3.11Å; F112-H126 AromaticContact CD2-ND1 3.32Å; F112-H126 VanDerWaalsContact CD2-ND1 3.32Å; F112-H126 WeakPolarHBondContact CD2-ND1 3.2Å; F112-H126 AromaticContact CE2-CE1 3.3Å; F112-H126 WeakPolarHBondContact CE2-CE1 3.42Å; F112-H126 AromaticContact CE2-ND1 3.06Å; F112-H126 WeakPolarHBondContact CE2-ND1 3.44Å; F112-H126 AromaticContact CG-CE1 3.92Å; F112-H126 AromaticContact CZ-CE1 3.69Å; F112-H126 AromaticContact CZ-ND1 3.82Å; F112-L130 HydrophobicContact CE1-CD1 4.43Å; F112-L130 HydrophobicContact CZ-CD1 4.08Å |
| 113 | K | 98.4 | Very high | 95.1 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.3 | 169 | -67.1 | -168.1 | 152 | 118.5 | 0 | 109.9 | V105 L106 E111 Q123 | V105-K113 CarbonylContact C-O 3.56Å; V105-K113 WeakPolarHBondContact CA-O 3.18Å; L106-K113 HydrophobicContact CB-CB 4.21Å; L106-K113 PolarHBondContact N-O 3.17Å; L106-K113 PolarHBondContact O-N 2.78Å; E111-K113 HydrophobicContact CG-CG 4.37Å; E111-K113 WeakPolarHBondContact OE1-CE 3.33Å; E111-K113 IonicContact OE1-NZ 3.73Å; E111-K113 PolarHBondContact OE1-NZ 3.45Å; K113-Q123 VanDerWaalsContact CE-CD 3.5Å; K113-Q123 HydrophobicContact CG-CG 4.13Å |
| 114 | V | 98.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 131.8 | -178 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | F62 F64 M103 I104 V105 V116 H120 V121 L122 | F62-V114 HydrophobicContact CE1-CG2 3.91Å; F62-V114 HydrophobicContact CZ-CG2 3.87Å; F64-V114 HydrophobicContact CD2-CG2 4.4Å; F64-V114 HydrophobicContact CE2-CB 4.38Å; F64-V114 HydrophobicContact CE2-CG1 3.85Å; F64-V114 HydrophobicContact CE2-CG2 4.29Å; F64-V114 HydrophobicContact CZ-CG1 4.09Å; M103-V114 HydrophobicContact CE-CG1 3.97Å; M103-V114 HydrophobicContact CG-CG1 4.31Å; I104-V114 WeakPolarHBondContact O-CA 3.4Å; V105-V114 HydrophobicContact CG2-CG2 4.36Å; V114-V116 HydrophobicContact CG1-CG2 4.39Å; V114-H120 PolarHBondContact O-ND1 3.05Å; V114-V121 PolarHBondContact O-N 2.74Å; V114-L122 HydrophobicContact CB-CD1 4.01Å; V114-L122 HydrophobicContact CB-CG 4.25Å; V114-L122 HydrophobicContact CG2-CD1 3.71Å; V114-L122 HydrophobicContact CG2-CG 4.45Å; V114-L122 PolarHBondContact N-O 3.45Å; V114-L122 PolarHBondContact O-N 2.72Å |
| 115 | A | 94.2 | Very high | 95.2 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | M103 I104 A119 | M103-A115 WeakPolarHBondContact CA-O 3.29Å; I104-A115 PolarHBondContact N-O 2.67Å; I104-A115 PolarHBondContact O-N 3.02Å; A115-A119 CarbonylContact C-O 3.55Å; A115-A119 WeakPolarHBondContact CA-O 3.24Å; A115-A119 WeakPolarHBondContact CB-O 3.31Å |
| 116 | V | 96.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.024 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.3 | 174.7 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | A94 F95 E102 M103 V114 G118 A119 V121 | A94-V116 HydrophobicContact CB-CB 3.96Å; A94-V116 HydrophobicContact CB-CG1 4.21Å; A94-V116 HydrophobicContact CB-CG2 4.26Å; F95-V116 HydrophobicContact CD1-CG1 4.22Å; F95-V116 HydrophobicContact CE1-CG1 3.96Å; F95-V116 HydrophobicContact CE1-CG2 4.14Å; F95-V116 HydrophobicContact CE2-CG2 3.95Å; F95-V116 HydrophobicContact CZ-CG1 4.17Å; F95-V116 HydrophobicContact CZ-CG2 3.56Å; E102-V116 CarbonylContact O-C 3.53Å; E102-V116 VanDerWaalsContact O-CA 3.23Å; E102-V116 WeakPolarHBondContact O-CA 3.34Å; M103-V116 HydrophobicContact CB-CG2 4.34Å; M103-V116 HydrophobicContact CG-CG2 4.37Å; V114-V116 HydrophobicContact CG1-CG2 4.39Å; V116-G118 VanDerWaalsContact C-N 3.26Å; V116-G118 PolarHBondContact O-N 2.86Å; V116-A119 PolarHBondContact N-O 2.82Å; V116-A119 PolarHBondContact O-N 2.86Å; V116-V121 HydrophobicContact CB-CG2 3.75Å; V116-V121 HydrophobicContact CG2-CG2 3.75Å |
| 117 | N | 87.3 | Confident | 95.2 | Very high | 90 Ų | 90 | 54.4 Ų | 54.4 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 44.2 | -179 | -60.3 | -25.7 | 0 | 0 | 0 | 112.8 | F101 E102 A119 | F101-N117 WeakPolarHBondContact CA-OD1 3.23Å; E102-N117 PolarHBondContact N-OD1 2.78Å; E102-N117 PolarHBondContact O-N 2.91Å; N117-A119 PolarHBondContact O-N 3.06Å |
| 118 | G | 77.1 | Confident | 95.2 | Very high | 73 Ų | 73 | 54.9 Ų | 54.9 | 75% | 0.753 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | -3.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V116 | V116-G118 VanDerWaalsContact C-N 3.26Å; V116-G118 PolarHBondContact O-N 2.86Å |
| 119 | A | 86.4 | Confident | 95.1 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A115 V116 N117 V121 | A115-A119 CarbonylContact C-O 3.55Å; A115-A119 WeakPolarHBondContact CA-O 3.24Å; A115-A119 WeakPolarHBondContact CB-O 3.31Å; V116-A119 PolarHBondContact N-O 2.82Å; V116-A119 PolarHBondContact O-N 2.86Å; N117-A119 PolarHBondContact O-N 3.06Å; A119-V121 PolarHBondContact O-N 2.99Å |
| 120 | H | 94.9 | Very high | 95.1 | Very high | 111 Ų | 111 | 49 Ų | 49 | 51% | 0.514 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 135.6 | 171.5 | -176.5 | 58 | 0 | 0 | 0 | 110.7 | V114 L122 Q123 | V114-H120 PolarHBondContact O-ND1 3.05Å; H120-L122 PolarHBondContact CE1-O 3.29Å; H120-Q123 PolarHBondContact NE2-NE2 3.35Å |
| 121 | V | 97.4 | Very high | 94.8 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 15% | 0.152 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -57.2 | -176.5 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | I74 L90 A94 V114 V116 A119 | I74-V121 HydrophobicContact CD1-CG1 3.75Å; L90-V121 HydrophobicContact CD2-CG1 3.61Å; L90-V121 WeakPolarHBondContact CD2-O 3.45Å; A94-V121 HydrophobicContact CB-CB 4.49Å; A94-V121 HydrophobicContact CB-CG1 4.06Å; A94-V121 HydrophobicContact CB-CG2 3.54Å; V114-V121 PolarHBondContact O-N 2.74Å; V116-V121 HydrophobicContact CB-CG2 3.75Å; V116-V121 HydrophobicContact CG2-CG2 3.75Å; A119-V121 PolarHBondContact O-N 2.99Å |
| 122 | L | 98.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 53.7 Ų | 53.7 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 168.7 | -176.6 | 60.1 | 79 | 0 | 0 | 0 | 112.5 | F62 F64 I74 L90 V114 H120 | F62-L122 HydrophobicContact CZ-CD1 4.16Å; F64-L122 HydrophobicContact CD2-CD1 4.5Å; F64-L122 HydrophobicContact CD2-CD2 4.28Å; F64-L122 HydrophobicContact CE2-CD1 4.39Å; F64-L122 HydrophobicContact CE2-CD2 3.83Å; F64-L122 HydrophobicContact CE2-CG 4.22Å; I74-L122 HydrophobicContact CG2-CD2 3.9Å; L90-L122 HydrophobicContact CD2-CB 4.49Å; L90-L122 HydrophobicContact CD2-CD2 4.39Å; V114-L122 HydrophobicContact CB-CD1 4.01Å; V114-L122 HydrophobicContact CB-CG 4.25Å; V114-L122 HydrophobicContact CG2-CD1 3.71Å; V114-L122 HydrophobicContact CG2-CG 4.45Å; V114-L122 PolarHBondContact N-O 3.45Å; V114-L122 PolarHBondContact O-N 2.72Å; H120-L122 PolarHBondContact CE1-O 3.29Å |
| 123 | Q | 98.5 | Very high | 94.2 | Very high | 91 Ų | 91 | 53.6 Ų | 53.6 | 43% | 0.425 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.8 | 171.1 | -54.6 | -179.1 | 3.3 | 0 | 0 | 108 | E111 F112 K113 H120 | E111-Q123 WeakPolarHBondContact OE2-CB 3.32Å; E111-Q123 PolarHBondContact OE2-OE1 2.85Å; F112-Q123 CarbonylContact O-C 3.55Å; F112-Q123 VanDerWaalsContact O-CA 3.26Å; F112-Q123 WeakPolarHBondContact O-CA 3.36Å; K113-Q123 VanDerWaalsContact CE-CD 3.5Å; K113-Q123 HydrophobicContact CG-CG 4.13Å; H120-Q123 PolarHBondContact NE2-NE2 3.35Å |
| 124 | Y | 98.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 111.4 | -179.3 | -170.1 | -100 | 0 | 0 | 0 | 110 | F62 C76 N77 T78 E88 E111 F112 R127 | F62-Y124 HydrophobicContact CB-CD1 4.31Å; F62-Y124 HydrophobicContact CB-CE1 4.5Å; F62-Y124 AromaticContact CD2-CD1 3.31Å; F62-Y124 HydrophobicContact CD2-CD1 3.31Å; F62-Y124 HydrophobicContact CD2-CD2 4.33Å; F62-Y124 AromaticContact CD2-CE1 3.79Å; F62-Y124 HydrophobicContact CD2-CE1 3.79Å; F62-Y124 AromaticContact CD2-CG 3.62Å; F62-Y124 HydrophobicContact CD2-CG 3.62Å; F62-Y124 AromaticContact CE2-CD1 3.81Å; F62-Y124 HydrophobicContact CE2-CD1 3.81Å; F62-Y124 HydrophobicContact CE2-CD2 4.14Å; F62-Y124 AromaticContact CE2-CG 3.57Å; F62-Y124 HydrophobicContact CE2-CG 3.57Å; F62-Y124 HydrophobicContact CG-CD1 4.02Å; C76-Y124 HydrophobicContact CB-CD2 3.69Å; C76-Y124 HydrophobicContact CB-CE2 3.78Å; N77-Y124 VanDerWaalsContact CA-OH 3.28Å; N77-Y124 WeakPolarHBondContact CA-OH 3.45Å; N77-Y124 PolarHBondContact O-OH 3.47Å; T78-Y124 PolarHBondContact N-OH 2.6Å; T78-Y124 PolarHBondContact OG1-OH 2.93Å; E88-Y124 HydrophobicContact CB-CE2 4.42Å; E88-Y124 HydrophobicContact CG-CE2 4.36Å; E88-Y124 WeakPolarHBondContact OE1-CE2 3.49Å; E111-Y124 CarbonylContact C-O 3.5Å; E111-Y124 VanDerWaalsContact CA-O 3.29Å; E111-Y124 WeakPolarHBondContact CA-O 3.37Å; E111-Y124 WeakPolarHBondContact CB-O 3.5Å; F112-Y124 HydrophobicContact CD2-CD1 4.28Å; F112-Y124 PolarHBondContact N-O 2.68Å; F112-Y124 PolarHBondContact O-N 2.82Å; Y124-R127 WeakPolarHBondContact OH-CD 3.33Å; Y124-R127 PolarHBondContact OH-NE 2.94Å; Y124-R127 VanDerWaalsContact OH-NE 3.08Å; Y124-R127 PolarHBondContact OH-NH1 2.88Å; Y124-R127 PolarHBondContact OH-NH2 3.21Å |
| 125 | N | 98.7 | Very high | 93.4 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 140.5 | 179.9 | -69.2 | -52.9 | 0 | 0 | 0 | 110.9 | R127 | N125-R127 PolarHBondContact O-N 3.47Å |
| 126 | H | 98.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 19% | 0.19 | 28% | 0.278 | C | S | . | . | trans | -62.1 | 122.7 | 176 | -62.4 | -33.6 | 0 | 0 | 0 | 109.9 | Q108 K109 D110 E111 F112 | Q108-H126 PolarHBondContact O-NE2 3.13Å; K109-H126 PolarHBondContact O-CD2 2.97Å; K109-H126 VanDerWaalsContact O-CD2 3.22Å; D110-H126 PolarHBondContact O-N 2.8Å; E111-H126 PolarHBondContact N-CD2 2.83Å; E111-H126 PolarHBondContact N-NE2 3.27Å; F112-H126 AromaticContact CD2-CE1 3.43Å; F112-H126 VanDerWaalsContact CD2-CE1 3.43Å; F112-H126 WeakPolarHBondContact CD2-CE1 3.11Å; F112-H126 AromaticContact CD2-ND1 3.32Å; F112-H126 VanDerWaalsContact CD2-ND1 3.32Å; F112-H126 WeakPolarHBondContact CD2-ND1 3.2Å; F112-H126 AromaticContact CE2-CE1 3.3Å; F112-H126 WeakPolarHBondContact CE2-CE1 3.42Å; F112-H126 AromaticContact CE2-ND1 3.06Å; F112-H126 WeakPolarHBondContact CE2-ND1 3.44Å; F112-H126 AromaticContact CG-CE1 3.92Å; F112-H126 AromaticContact CZ-CE1 3.69Å; F112-H126 AromaticContact CZ-ND1 3.82Å | ||
| 127 | R | 98.5 | Very high | 93.6 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -100.4 | -14.2 | 171.6 | -55.7 | -171.7 | -174.4 | 169.8 | 1.1 | 112.7 | N77 T78 K86 E88 Y124 N125 | N77-R127 PolarHBondContact OD1-NH1 3.27Å; N77-R127 VanDerWaalsContact OD1-NH1 3.17Å; T78-R127 HydrophobicContact CG2-CB 4.17Å; T78-R127 WeakPolarHBondContact OG1-CD 3.4Å; K86-R127 VanDerWaalsContact O-CZ 3.28Å; K86-R127 PolarHBondContact O-NH1 2.72Å; K86-R127 PolarHBondContact O-NH2 2.9Å; E88-R127 IonicContact OE1-CZ 2.86Å; E88-R127 IonicContact OE1-NE 3.88Å; E88-R127 IonicContact OE1-NH2 2.72Å; E88-R127 PolarHBondContact OE1-NH2 3Å; Y124-R127 WeakPolarHBondContact OH-CD 3.33Å; Y124-R127 PolarHBondContact OH-NE 2.94Å; Y124-R127 VanDerWaalsContact OH-NE 3.08Å; Y124-R127 PolarHBondContact OH-NH1 2.88Å; Y124-R127 PolarHBondContact OH-NH2 3.21Å; N125-R127 PolarHBondContact O-N 3.47Å |
| 128 | L | 96.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 47.4 Ų | 47.4 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -128.3 | 146.3 | -179.2 | -73.7 | -165.3 | 0 | 0 | 0 | 108.7 | D59 A61 T78 E80 L130 | D59-L128 HydrophobicContact CB-CD1 3.97Å; A61-L128 HydrophobicContact CB-CB 3.96Å; A61-L128 HydrophobicContact CB-CD1 4.25Å; T78-L128 HydrophobicContact CG2-CD1 3.73Å; T78-L128 HydrophobicContact CG2-CD2 4.22Å; T78-L128 HydrophobicContact CG2-CG 3.58Å; E80-L128 HydrophobicContact CB-CD2 4.27Å; E80-L128 HydrophobicContact CG-CD2 4.15Å; E80-L128 VanDerWaalsContact OE1-CD2 3.32Å; E80-L128 WeakPolarHBondContact OE1-CD2 3.3Å; L128-L130 PolarHBondContact O-N 3.41Å; L128-L130 VanDerWaalsContact O-N 3.15Å |
| 129 | D | 93.8 | Very high | 95 | Very high | 87 Ų | 87 | 45.5 Ų | 45.5 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | trans | -47.9 | 118.5 | 171.9 | -50.6 | -25 | 0 | 0 | 0 | 111.6 | R50 D131 K132 | R50-D129 IonicContact NH2-OD2 3.85Å; D129-D131 VanDerWaalsContact C-N 3.31Å; D129-D131 PolarHBondContact O-N 3.01Å; D129-K132 HydrophobicContact CB-CD 4.17Å; D129-K132 HydrophobicContact CB-CG 4.33Å; D129-K132 PolarHBondContact O-N 3.25Å; D129-K132 WeakPolarHBondContact OD2-CE 3.4Å; D129-K132 IonicContact OD2-NZ 2.63Å; D129-K132 PolarHBondContact OD2-NZ 2.87Å | ||
| 130 | L | 93.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -61.1 | -38.9 | 179 | 179.5 | 66.3 | 0 | 0 | 0 | 111.9 | L25 P27 V107 F112 L128 K132 V133 | L25-L130 HydrophobicContact CB-CD1 4.14Å; L25-L130 HydrophobicContact CD2-CD1 3.82Å; L25-L130 HydrophobicContact CG-CD1 4.21Å; P27-L130 HydrophobicContact CG-CD2 3.87Å; V107-L130 HydrophobicContact CG1-CD1 3.73Å; V107-L130 HydrophobicContact CG1-CD2 3.66Å; V107-L130 HydrophobicContact CG1-CG 4.31Å; F112-L130 HydrophobicContact CE1-CD1 4.43Å; F112-L130 HydrophobicContact CZ-CD1 4.08Å; L128-L130 PolarHBondContact O-N 3.41Å; L128-L130 VanDerWaalsContact O-N 3.15Å; L130-K132 PolarHBondContact O-N 2.86Å; L130-V133 VanDerWaalsContact O-CB 3.28Å; L130-V133 WeakPolarHBondContact O-CB 3.21Å; L130-V133 WeakPolarHBondContact O-CG2 3.39Å; L130-V133 PolarHBondContact O-N 2.96Å |
| 131 | D | 88.4 | Confident | 95.6 | Very high | 126 Ų | 126 | 43.6 Ų | 43.6 | 67% | 0.674 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -62.2 | -15.5 | -176.5 | -60 | -19.9 | 0 | 0 | 0 | 113.7 | D129 | D129-D131 VanDerWaalsContact C-N 3.31Å; D129-D131 PolarHBondContact O-N 3.01Å |
| 132 | K | 89.2 | Confident | 95.6 | Very high | 111 Ų | 111 | 43 Ų | 43 | 48% | 0.483 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -93.6 | -5.4 | 176.5 | -65.9 | 177.2 | -178.8 | 154.2 | 0 | 113 | R50 D129 L130 D134 | R50-K132 WeakPolarHBondContact CA-O 3.36Å; R50-K132 WeakPolarHBondContact CB-O 3.12Å; R50-K132 HydrophobicContact CG-CB 3.94Å; R50-K132 WeakPolarHBondContact CG-O 3.41Å; D129-K132 HydrophobicContact CB-CD 4.17Å; D129-K132 HydrophobicContact CB-CG 4.33Å; D129-K132 PolarHBondContact O-N 3.25Å; D129-K132 WeakPolarHBondContact OD2-CE 3.4Å; D129-K132 IonicContact OD2-NZ 2.63Å; D129-K132 PolarHBondContact OD2-NZ 2.87Å; L130-K132 PolarHBondContact O-N 2.86Å; K132-D134 PolarHBondContact O-N 2.84Å |
| 133 | V | 94 | Very high | 95.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -82.9 | 112.3 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | I21 L25 F48 A61 L130 | I21-V133 HydrophobicContact CD1-CG1 4.44Å; L25-V133 HydrophobicContact CB-CB 4.31Å; L25-V133 HydrophobicContact CB-CG1 4.26Å; L25-V133 HydrophobicContact CD2-CG1 4.11Å; L25-V133 PolarHBondContact N-O 2.78Å; L25-V133 VanDerWaalsContact N-O 3.13Å; F48-V133 HydrophobicContact CB-CG1 3.78Å; F48-V133 HydrophobicContact CD1-CG1 4.21Å; F48-V133 HydrophobicContact CG-CG1 4.49Å; A61-V133 HydrophobicContact CB-CG2 3.42Å; A61-V133 VanDerWaalsContact CB-CG2 3.42Å; L130-V133 VanDerWaalsContact O-CB 3.28Å; L130-V133 WeakPolarHBondContact O-CB 3.21Å; L130-V133 WeakPolarHBondContact O-CG2 3.39Å; L130-V133 PolarHBondContact O-N 2.96Å | ||
| 134 | D | 90.5 | Very high | 95 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | trans | -132.6 | 1.9 | -171.1 | 68.6 | 8.4 | 0 | 0 | 0 | 113.1 | T20 I21 T49 G51 K132 G281 V282 | T20-D134 CarbonylContact C-O 3.53Å; T20-D134 WeakPolarHBondContact CA-O 3.46Å; I21-D134 PolarHBondContact N-O 3.36Å; T49-D134 PolarHBondContact O-N 3.24Å; T49-D134 VanDerWaalsContact O-N 3.12Å; G51-D134 VanDerWaalsContact CA-OD1 3.24Å; G51-D134 WeakPolarHBondContact CA-OD1 3.43Å; G51-D134 PolarHBondContact N-OD1 2.9Å; K132-D134 PolarHBondContact O-N 2.84Å; D134-G281 WeakPolarHBondContact CB-O 3.24Å; D134-V282 VanDerWaalsContact OD2-CG2 3.32Å; D134-V282 WeakPolarHBondContact OD2-CG2 3.47Å; D134-V282 PolarHBondContact OD2-N 2.97Å | ||
| 135 | T | 91.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 134.9 | -173.1 | -61.6 | 0 | 0 | 0 | 0 | 110.3 | G19 T49 N52 G281 | G19-T135 WeakPolarHBondContact O-CA 3.45Å; T49-T135 PolarHBondContact N-O 2.99Å; T49-T135 PolarHBondContact O-N 3.41Å; T49-T135 WeakPolarHBondContact OG1-CB 3.21Å; T49-T135 VanDerWaalsContact OG1-CG2 3.31Å; T49-T135 WeakPolarHBondContact OG1-CG2 3.43Å; N52-T135 HydrophobicContact CB-CG2 4.07Å; T135-G281 WeakPolarHBondContact OG1-CA 3.38Å |
| 136 | L | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 120.8 | 167.1 | 179.1 | 68.3 | 0 | 0 | 0 | 108.7 | A18 G19 I21 V31 I33 V46 F48 I138 I147 F149 | A18-L136 WeakPolarHBondContact CA-O 3.16Å; G19-L136 PolarHBondContact N-O 2.73Å; G19-L136 PolarHBondContact O-N 3.15Å; I21-L136 HydrophobicContact CD1-CB 4.27Å; I21-L136 HydrophobicContact CG1-CB 4.25Å; V31-L136 HydrophobicContact CG1-CD2 4.19Å; I33-L136 HydrophobicContact CD1-CD2 4.41Å; V46-L136 HydrophobicContact CG1-CD1 3.67Å; F48-L136 HydrophobicContact CD1-CD1 4.24Å; F48-L136 HydrophobicContact CD2-CD1 4.48Å; F48-L136 HydrophobicContact CE1-CD1 3.95Å; F48-L136 HydrophobicContact CE2-CD1 4.2Å; F48-L136 HydrophobicContact CZ-CD1 3.93Å; L136-I138 HydrophobicContact CD2-CD1 4.38Å; L136-I138 HydrophobicContact CG-CG1 4.37Å; L136-I147 HydrophobicContact CD2-CD1 4.06Å; L136-I147 HydrophobicContact CD2-CG2 3.57Å; L136-F149 HydrophobicContact CB-CZ 4.21Å; L136-F149 HydrophobicContact CD2-CE1 4.41Å; L136-F149 HydrophobicContact CD2-CZ 3.86Å |
| 137 | A | 95.8 | Very high | 93.4 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | F17 A18 D47 | F17-A137 CarbonylContact O-C 3.52Å; F17-A137 WeakPolarHBondContact O-CA 3.47Å; A18-A137 HydrophobicContact CB-CB 4.48Å; D47-A137 HydrophobicContact CB-CB 4.26Å; D47-A137 PolarHBondContact N-O 2.96Å; D47-A137 PolarHBondContact O-N 2.84Å |
| 138 | I | 98.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.6 | 177.1 | -54.2 | 179.2 | 0 | 0 | 0 | 108.3 | I15 P16 F17 I33 Q45 V46 L136 V142 V144 I147 | I15-I138 HydrophobicContact CD1-CB 4.13Å; I15-I138 HydrophobicContact CD1-CG2 3.98Å; P16-I138 CarbonylContact C-O 3.58Å; P16-I138 WeakPolarHBondContact CA-O 3.4Å; F17-I138 HydrophobicContact CB-CB 4.41Å; F17-I138 HydrophobicContact CD1-CG1 4.42Å; F17-I138 PolarHBondContact N-O 3.28Å; F17-I138 PolarHBondContact O-N 2.8Å; I33-I138 HydrophobicContact CD1-CD1 4.17Å; I33-I138 HydrophobicContact CG2-CD1 4.19Å; Q45-I138 WeakPolarHBondContact O-CA 3.24Å; V46-I138 HydrophobicContact CG1-CG1 4.45Å; V46-I138 HydrophobicContact CG2-CG1 4.39Å; V46-I138 HydrophobicContact CG2-CG2 4.5Å; L136-I138 HydrophobicContact CD2-CD1 4.38Å; L136-I138 HydrophobicContact CG-CG1 4.37Å; I138-V142 HydrophobicContact CG2-CG1 3.79Å; I138-V144 HydrophobicContact CD1-CG2 4.08Å; I138-V144 HydrophobicContact CG2-CG2 4.13Å; I138-I147 HydrophobicContact CD1-CD1 3.74Å; I138-I147 HydrophobicContact CD1-CG1 4.34Å |
| 139 | S | 96.3 | Very high | 92.6 | Very high | 32 Ų | 32 | 36.5 Ų | 36.5 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 174.3 | -179.4 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | F44 Q45 | F44-S139 CarbonylContact C-O 3.49Å; F44-S139 WeakPolarHBondContact CA-O 3.35Å; F44-S139 WeakPolarHBondContact CB-O 3.45Å; Q45-S139 WeakPolarHBondContact CG-OG 3.46Å; Q45-S139 PolarHBondContact N-O 2.77Å; Q45-S139 PolarHBondContact NE2-OG 3.05Å; Q45-S139 PolarHBondContact O-N 2.86Å |
| 140 | G | 96.2 | Very high | 92.4 | Very high | 45 Ų | 45 | 34.5 Ų | 34.5 | 46% | 0.464 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 81.8 | -161.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I15 V142 | I15-G140 WeakPolarHBondContact CG2-O 3.26Å; G140-V142 PolarHBondContact O-N 3.07Å |
| 141 | K | 96.7 | Very high | 92.1 | Very high | 82 Ų | 82 | 36.4 Ų | 36.4 | 36% | 0.357 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -92.6 | 85.4 | -165.7 | -165.5 | 155.6 | -178.3 | -172.6 | 0 | 111.5 | P38 D40 C41 R43 | P38-K141 HydrophobicContact CB-CG 4.31Å; P38-K141 WeakPolarHBondContact CD-O 3.38Å; P38-K141 HydrophobicContact CG-CG 4.04Å; D40-K141 VanDerWaalsContact CG-CE 3.4Å; D40-K141 WeakPolarHBondContact O-CE 3.13Å; D40-K141 PolarHBondContact O-NZ 3.38Å; D40-K141 WeakPolarHBondContact OD1-CE 3.31Å; D40-K141 IonicContact OD1-NZ 3.59Å; D40-K141 PolarHBondContact OD1-NZ 2.91Å; D40-K141 VanDerWaalsContact OD1-NZ 3.1Å; D40-K141 WeakPolarHBondContact OD2-CE 3.49Å; D40-K141 IonicContact OD2-NZ 3.9Å; D40-K141 PolarHBondContact OD2-NZ 3.27Å; C41-K141 HydrophobicContact CB-CB 4.38Å; C41-K141 HydrophobicContact CB-CG 4.34Å; C41-K141 PolarHBondContact SG-O 2.85Å; R43-K141 PolarHBondContact O-N 2.84Å |
| 142 | V | 98.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | trans | -149.1 | 148.3 | 180 | 63.5 | 0 | 0 | 0 | 0 | 109.9 | I15 F44 F101 I138 G140 V144 | I15-V142 HydrophobicContact CG1-CG1 4.45Å; I15-V142 HydrophobicContact CG2-CG1 4.32Å; F44-V142 HydrophobicContact CB-CB 3.73Å; F44-V142 HydrophobicContact CB-CG1 3.81Å; F44-V142 HydrophobicContact CD1-CB 4.19Å; F44-V142 HydrophobicContact CD1-CG2 4.43Å; F44-V142 HydrophobicContact CD2-CB 4.14Å; F44-V142 HydrophobicContact CD2-CG1 4.17Å; F44-V142 HydrophobicContact CD2-CG2 4.26Å; F44-V142 HydrophobicContact CG-CB 3.78Å; F44-V142 HydrophobicContact CG-CG1 4.11Å; F44-V142 HydrophobicContact CG-CG2 4.22Å; F101-V142 HydrophobicContact CE1-CG2 3.7Å; F101-V142 HydrophobicContact CZ-CG2 3.9Å; I138-V142 HydrophobicContact CG2-CG1 3.79Å; G140-V142 PolarHBondContact O-N 3.07Å; V142-V144 HydrophobicContact CG1-CG2 4.39Å; V142-V144 HydrophobicContact CG2-CG2 4.43Å | ||
| 143 | K | 91.1 | Very high | 90.4 | Very high | 128 Ų | 128 | 31 Ų | 31 | 56% | 0.557 | 19% | 0.187 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.7 | 165.9 | -176.1 | 176.8 | -180 | 178.7 | 0 | 108.1 | G35 T36 Q145 | G35-K143 CarbonylContact C-O 3.57Å; G35-K143 WeakPolarHBondContact CA-O 3.49Å; T36-K143 PolarHBondContact N-O 3.47Å; T36-K143 PolarHBondContact O-N 3.29Å; K143-Q145 PolarHBondContact O-OE1 2.82Å |
| 144 | V | 92.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128 | 176.6 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | P13 I15 I33 I138 V142 I147 | P13-V144 HydrophobicContact CG-CB 3.94Å; P13-V144 HydrophobicContact CG-CG1 3.72Å; I15-V144 HydrophobicContact CD1-CB 4.26Å; I15-V144 HydrophobicContact CD1-CG2 3.9Å; I15-V144 HydrophobicContact CG1-CG2 4.43Å; I33-V144 HydrophobicContact CG2-CG1 4.15Å; I33-V144 HydrophobicContact CG2-CG2 4.42Å; I138-V144 HydrophobicContact CD1-CG2 4.08Å; I138-V144 HydrophobicContact CG2-CG2 4.13Å; V142-V144 HydrophobicContact CG1-CG2 4.39Å; V142-V144 HydrophobicContact CG2-CG2 4.43Å; V144-I147 HydrophobicContact CG1-CD1 4.22Å; V144-I147 HydrophobicContact CG1-CG1 3.74Å |
| 145 | Q | 85.4 | Confident | 85.8 | Confident | 56 Ų | 56 | 41.7 Ų | 41.7 | 26% | 0.262 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -40.9 | 178.4 | -75.4 | 84.5 | -16.5 | 0 | 0 | 111 | N12 Q34 T36 K143 | N12-Q145 PolarHBondContact N-O 3.41Å; Q34-Q145 PolarHBondContact O-N 2.88Å; Q34-Q145 PolarHBondContact O-OE1 2.8Å; T36-Q145 PolarHBondContact OG1-NE2 2.94Å; K143-Q145 PolarHBondContact O-OE1 2.82Å |
| 146 | A | 81.6 | Confident | 83.3 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 13% | 0.132 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 144.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V10 L11 I33 Q34 | V10-A146 CarbonylContact O-C 3.13Å; V10-A146 WeakPolarHBondContact O-CA 3.33Å; L11-A146 HydrophobicContact CD2-CB 4Å; I33-A146 WeakPolarHBondContact CA-O 3.35Å; Q34-A146 HydrophobicContact CB-CB 4.38Å; Q34-A146 PolarHBondContact N-O 2.91Å; Q34-A146 PolarHBondContact O-N 2.92Å |
| 147 | I | 94.3 | Very high | 80.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.8 | 166.2 | -53.8 | 170.8 | 0 | 0 | 0 | 106.5 | T9 V10 P13 F17 V31 L32 I33 L136 I138 V144 F149 | T9-I147 CarbonylContact C-O 3.51Å; T9-I147 VanDerWaalsContact CA-O 3.31Å; T9-I147 WeakPolarHBondContact CA-O 3.02Å; V10-I147 HydrophobicContact CB-CB 4.19Å; V10-I147 PolarHBondContact N-O 2.85Å; V10-I147 PolarHBondContact O-N 2.84Å; P13-I147 HydrophobicContact CG-CD1 4.03Å; F17-I147 HydrophobicContact CD1-CD1 3.78Å; F17-I147 HydrophobicContact CE1-CD1 3.5Å; F17-I147 HydrophobicContact CZ-CD1 4.06Å; V31-I147 HydrophobicContact CG1-CG2 4.3Å; L32-I147 CarbonylContact O-C 3.57Å; L32-I147 VanDerWaalsContact O-CA 3.24Å; L32-I147 WeakPolarHBondContact O-CA 3.31Å; I33-I147 HydrophobicContact CG1-CG2 4.49Å; L136-I147 HydrophobicContact CD2-CD1 4.06Å; L136-I147 HydrophobicContact CD2-CG2 3.57Å; I138-I147 HydrophobicContact CD1-CD1 3.74Å; I138-I147 HydrophobicContact CD1-CG1 4.34Å; V144-I147 HydrophobicContact CG1-CD1 4.22Å; V144-I147 HydrophobicContact CG1-CG1 3.74Å; I147-F149 HydrophobicContact CG2-CD2 4.34Å; I147-F149 HydrophobicContact CG2-CE2 3.61Å; I147-F149 HydrophobicContact CG2-CZ 3.85Å |
| 148 | G | 88.8 | Confident | 77.9 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 133.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V31 L32 | V31-G148 CarbonylContact C-O 3.54Å; V31-G148 WeakPolarHBondContact CA-O 3.47Å; L32-G148 PolarHBondContact N-O 3.16Å; L32-G148 PolarHBondContact O-N 2.81Å |
| 149 | F | 90.9 | Very high | 75.1 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.013 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 123.2 | 174.2 | -58.9 | -96.1 | 0 | 0 | 0 | 108.3 | P6 K7 Q8 I21 M30 V31 L136 I147 | P6-F149 CarbonylContact C-O 3.56Å; P6-F149 VanDerWaalsContact C-O 3.31Å; P6-F149 WeakPolarHBondContact CA-O 3.21Å; P6-F149 WeakPolarHBondContact CB-O 3.45Å; K7-F149 HydrophobicContact CG-CB 4Å; K7-F149 WeakPolarHBondContact CG-O 3.5Å; K7-F149 PolarHBondContact N-O 2.63Å; Q8-F149 HydrophobicContact CB-CB 4.15Å; Q8-F149 HydrophobicContact CB-CD2 3.76Å; Q8-F149 HydrophobicContact CB-CG 4.29Å; Q8-F149 HydrophobicContact CG-CD2 3.81Å; Q8-F149 HydrophobicContact CG-CE2 4.21Å; Q8-F149 PolarHBondContact O-N 3.46Å; I21-F149 HydrophobicContact CB-CE1 4.25Å; I21-F149 HydrophobicContact CD1-CE1 4.07Å; I21-F149 HydrophobicContact CG1-CE1 3.71Å; I21-F149 HydrophobicContact CG1-CZ 4.08Å; I21-F149 HydrophobicContact CG2-CD1 3.84Å; I21-F149 HydrophobicContact CG2-CE1 3.82Å; M30-F149 CarbonylContact O-C 3.59Å; M30-F149 WeakPolarHBondContact O-CA 3.06Å; V31-F149 HydrophobicContact CB-CD1 4.41Å; V31-F149 HydrophobicContact CB-CE1 4.5Å; V31-F149 HydrophobicContact CG1-CD1 4.05Å; V31-F149 HydrophobicContact CG1-CE1 3.8Å; V31-F149 HydrophobicContact CG1-CZ 4.32Å; V31-F149 HydrophobicContact CG2-CD1 3.67Å; V31-F149 HydrophobicContact CG2-CE1 3.89Å; L136-F149 HydrophobicContact CB-CZ 4.21Å; L136-F149 HydrophobicContact CD2-CE1 4.41Å; L136-F149 HydrophobicContact CD2-CZ 3.86Å; I147-F149 HydrophobicContact CG2-CD2 4.34Å; I147-F149 HydrophobicContact CG2-CE2 3.61Å; I147-F149 HydrophobicContact CG2-CZ 3.85Å |
| 150 | F | 88.9 | Confident | 72.2 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 19% | 0.193 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.1 | -175.1 | -65 | -96.5 | 0 | 0 | 0 | 110.1 | T4 P6 E29 M30 L32 | T4-F150 WeakPolarHBondContact O-CD1 3.39Å; T4-F150 VanDerWaalsContact O-CE1 3.3Å; T4-F150 WeakPolarHBondContact O-CE1 3.46Å; P6-F150 HydrophobicContact CB-CD1 4.07Å; P6-F150 HydrophobicContact CB-CD2 4.46Å; P6-F150 HydrophobicContact CB-CE1 3.8Å; P6-F150 HydrophobicContact CB-CE2 4.19Å; P6-F150 HydrophobicContact CB-CG 4.4Å; P6-F150 HydrophobicContact CB-CZ 3.86Å; P6-F150 HydrophobicContact CG-CE1 4.12Å; P6-F150 HydrophobicContact CG-CZ 4.2Å; E29-F150 VanDerWaalsContact CA-O 3.29Å; E29-F150 WeakPolarHBondContact CA-O 3.38Å; E29-F150 WeakPolarHBondContact CB-O 3.46Å; M30-F150 HydrophobicContact CB-CB 4.25Å; M30-F150 PolarHBondContact N-O 3.2Å; M30-F150 PolarHBondContact O-N 2.85Å; L32-F150 HydrophobicContact CB-CD2 4.34Å; L32-F150 HydrophobicContact CB-CE2 3.73Å; L32-F150 HydrophobicContact CD2-CE2 3.99Å; L32-F150 HydrophobicContact CD2-CZ 4.26Å |
| 151 | P | 87.2 | Confident | 69.7 | Low | 55 Ų | 55 | 65.5 Ų | 65.5 | 36% | 0.357 | 42% | 0.419 | S | S | . | . | trans | -64.9 | 147.5 | 176.8 | 28.7 | -34 | 0 | 0 | 0 | 110.6 | ||||
| 152 | G | 78.8 | Confident | 66.9 | Low | 17 Ų | 17 | 66.8 Ų | 66.8 | 18% | 0.175 | 43% | 0.433 | C | S | . | . | trans | -68.5 | 145.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G28 N154 | G28-G152 VanDerWaalsContact C-CA 3.42Å; G28-G152 WeakPolarHBondContact O-CA 3.3Å; G152-N154 PolarHBondContact O-N 3.12Å | ||
| 153 | S | 64 | Low | 63.8 | Low | 106 Ų | 106 | 72 Ų | 72 | 74% | 0.741 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 18.6 | -179.1 | 59.1 | 0 | 0 | 0 | 0 | 114.9 | ||
| 154 | N | 47.7 | Very low | 61.1 | Low | 143 Ų | 143 | 72.7 Ų | 72.7 | 77% | 0.765 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 10.6 | -177.4 | -78.1 | -6.1 | 0 | 0 | 0 | 113.7 | G152 G156 | G152-N154 PolarHBondContact O-N 3.12Å; N154-G156 PolarHBondContact O-N 3.21Å |
| 155 | S | 40.4 | Very low | 58.3 | Low | 104 Ų | 104 | 79.3 Ų | 79.3 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -75.4 | 115.9 | 158.3 | 43.8 | 0 | 0 | 0 | 0 | 107.6 | ||
| 156 | G | 38.2 | Very low | 56 | Low | 54 Ų | 54 | 87.2 Ų | 87.2 | 56% | 0.557 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 164.2 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | N154 | N154-G156 PolarHBondContact O-N 3.21Š|
| 157 | P | 35.5 | Very low | 53.7 | Low | 123 Ų | 123 | 89.3 Ų | 89.3 | 80% | 0.799 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 135.4 | -176.6 | 21.5 | -31 | 0 | 0 | 0 | 109.7 | ||
| 158 | P | 45.5 | Very low | 51.1 | Low | 107 Ų | 107 | 95.6 Ų | 95.6 | 70% | 0.695 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 146.6 | 173.9 | 25.1 | -31.7 | 0 | 0 | 0 | 108.2 | ||
| 159 | P | 39 | Very low | 48.5 | Very low | 104 Ų | 104 | 102.8 Ų | 102.8 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 134.5 | 173.8 | 19.8 | -29.7 | 0 | 0 | 0 | 108.9 | G161 | P159-G161 PolarHBondContact O-N 3.43Š|
| 160 | P | 34.3 | Very low | 45.9 | Very low | 140 Ų | 140 | 106.7 Ų | 106.7 | 91% | 0.909 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 108.7 | -178.3 | 23.2 | -29.8 | 0 | 0 | 0 | 108.4 | ||
| 161 | G | 44.3 | Very low | 43.6 | Very low | 71 Ų | 71 | 111.2 Ų | 111.2 | 73% | 0.732 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 158.3 | 1.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | P159 | P159-G161 PolarHBondContact O-N 3.43Š|
| 162 | V | 37 | Very low | 41.6 | Very low | 109 Ų | 109 | 111.5 Ų | 111.5 | 66% | 0.661 | 69% | 0.689 | S | S | * | * | trans | -117.3 | 93.7 | 176.1 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | N164 | V162-N164 PolarHBondContact O-N 3.19Š| ||
| 163 | V | 33.5 | Very low | 40.1 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | trans | -72 | 90.9 | 168.3 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | N165 | V163-N165 PolarHBondContact O-N 3.48Š| ||
| 164 | N | 33.9 | Very low | 39.5 | Very low | 142 Ų | 142 | 111.1 Ų | 111.1 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | -90.2 | 83.9 | 167 | -83.3 | -8 | 0 | 0 | 0 | 109.5 | V162 R166 | V162-N164 PolarHBondContact O-N 3.19Å; N164-R166 PolarHBondContact O-N 2.9Å | ||
| 165 | N | 34.9 | Very low | 39.6 | Very low | 142 Ų | 142 | 108.2 Ų | 108.2 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | trans | -68.7 | 99.3 | 155.2 | -89.3 | -14.1 | 0 | 0 | 0 | 108 | V163 | V163-N165 PolarHBondContact O-N 3.48Š| ||
| 166 | R | 38.1 | Very low | 40.4 | Very low | 223 Ų | 223 | 105.7 Ų | 105.7 | 84% | 0.842 | 65% | 0.646 | S | S | * | * | trans | -163.8 | 104.7 | 154.3 | -103.2 | 161.2 | -148.7 | -140.3 | 9.3 | 109.2 | N164 | N164-R166 PolarHBondContact O-N 2.9Š| ||
| 167 | G | 33.3 | Very low | 41.2 | Very low | 59 Ų | 59 | 106.9 Ų | 106.9 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | trans | -66.9 | 178 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q169 | G167-Q169 PolarHBondContact O-N 3.41Å; G167-Q169 VanDerWaalsContact O-N 3.1Å | ||
| 168 | P | 38.6 | Very low | 42.6 | Very low | 133 Ų | 133 | 109.3 Ų | 109.3 | 86% | 0.864 | 65% | 0.652 | S | S | * | * | trans | -67.9 | 112.2 | -173 | 27.6 | -31 | 0 | 0 | 0 | 109.6 | ||||
| 169 | Q | 33.7 | Very low | 44.3 | Very low | 155 Ų | 155 | 108.5 Ų | 108.5 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | trans | -87.7 | 109.2 | 161.8 | -76.4 | -160.4 | -1.7 | 0 | 0 | 108.1 | G167 | G167-Q169 PolarHBondContact O-N 3.41Å; G167-Q169 VanDerWaalsContact O-N 3.1Å | ||
| 170 | A | 36.6 | Very low | 46.7 | Very low | 85 Ų | 85 | 105.8 Ų | 105.8 | 70% | 0.702 | 62% | 0.622 | S | S | * | * | trans | -58.3 | 143.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 171 | N | 40.9 | Very low | 49.5 | Very low | 139 Ų | 139 | 102.1 Ų | 102.1 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | trans | 55.8 | 85.4 | 157.4 | -62.5 | -8.4 | 0 | 0 | 0 | 116.5 | V173 | N171-V173 VanDerWaalsContact C-N 3.27Å; N171-V173 HydrophobicContact CB-CG2 4Å; N171-V173 PolarHBondContact O-N 2.62Å | ||
| 172 | E | 44.6 | Very low | 51.8 | Low | 61 Ų | 61 | 101.2 Ų | 101.2 | 29% | 0.285 | 58% | 0.577 | S | S | . | * | trans | -75.7 | 89.4 | 153.7 | -59.5 | -127.3 | 140.8 | 0 | 0 | 107.7 | L174 K190 H196 | E172-L174 PolarHBondContact O-N 2.99Å; E172-K190 WeakPolarHBondContact OE1-CD 3.44Å; E172-K190 IonicContact OE1-NZ 3.41Å; E172-K190 PolarHBondContact OE1-NZ 2.63Å; E172-H196 IonicContact OE2-CE1 2.6Å; E172-H196 PolarHBondContact OE2-CE1 2.8Å; E172-H196 IonicContact OE2-NE2 3.81Å; E172-H196 PolarHBondContact OE2-NE2 3.26Å | ||
| 173 | V | 47.8 | Very low | 54.6 | Low | 86 Ų | 86 | 100.3 Ų | 100.3 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | trans | -66 | 101.3 | -174.6 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | N171 S175 T189 | N171-V173 VanDerWaalsContact C-N 3.27Å; N171-V173 HydrophobicContact CB-CG2 4Å; N171-V173 PolarHBondContact O-N 2.62Å; V173-S175 PolarHBondContact O-N 3.1Å; V173-S175 VanDerWaalsContact O-N 3.13Å; V173-T189 WeakPolarHBondContact O-CG2 3.18Å; V173-T189 PolarHBondContact O-OG1 3.44Å; V173-T189 VanDerWaalsContact O-OG1 3.13Å | ||
| 174 | L | 52.2 | Low | 57.5 | Low | 30 Ų | 30 | 94.7 Ų | 94.7 | 16% | 0.157 | 54% | 0.539 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -47.8 | 108.2 | 143.9 | -98.9 | 173.9 | 0 | 0 | 0 | 107.3 | E172 M176 L188 I311 L313 | E172-L174 PolarHBondContact O-N 2.99Å; L174-M176 HydrophobicContact CB-CG 4Å; L174-M176 HydrophobicContact CD1-CE 4.13Å; L174-M176 HydrophobicContact CD1-CG 4.36Å; L174-M176 HydrophobicContact CD1-SD 3.85Å; L174-M176 HydrophobicContact CD2-CG 3.83Å; L174-M176 HydrophobicContact CD2-SD 3.99Å; L174-M176 HydrophobicContact CG-CG 4.29Å; L174-M176 HydrophobicContact CG-SD 4.37Å; L174-M176 PolarHBondContact O-N 3.05Å; L174-L188 HydrophobicContact CD2-CD2 3.52Å; L174-L188 HydrophobicContact CG-CD2 4.24Å; L174-I311 HydrophobicContact CD1-CG2 4.46Å; L174-L313 HydrophobicContact CD1-CB 3.26Å; L174-L313 VanDerWaalsContact CD1-N 3.32Å; L174-L313 HydrophobicContact CD2-CB 4.49Å; L174-L313 HydrophobicContact CG-CB 3.56Å; L174-L313 HydrophobicContact CG-CD2 4.09Å; L174-L313 HydrophobicContact CG-CG 4.47Å |
| 175 | S | 49.1 | Very low | 60.3 | Low | 81 Ų | 81 | 94.4 Ų | 94.4 | 57% | 0.566 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 73.6 | 167.9 | 174.4 | 0 | 0 | 0 | 0 | 107.2 | V173 K187 | V173-S175 PolarHBondContact O-N 3.1Å; V173-S175 VanDerWaalsContact O-N 3.13Å; S175-K187 PolarHBondContact N-O 2.82Å |
| 176 | M | 57.1 | Low | 62.9 | Low | 51 Ų | 51 | 87.8 Ų | 87.8 | 25% | 0.251 | 49% | 0.493 | S | S | . | . | trans | -88.7 | 137.9 | 173.2 | -66.9 | -166.5 | -42.4 | 0 | 0 | 109.5 | L174 F184 I311 | L174-M176 HydrophobicContact CB-CG 4Å; L174-M176 HydrophobicContact CD1-CE 4.13Å; L174-M176 HydrophobicContact CD1-CG 4.36Å; L174-M176 HydrophobicContact CD1-SD 3.85Å; L174-M176 HydrophobicContact CD2-CG 3.83Å; L174-M176 HydrophobicContact CD2-SD 3.99Å; L174-M176 HydrophobicContact CG-CG 4.29Å; L174-M176 HydrophobicContact CG-SD 4.37Å; L174-M176 PolarHBondContact O-N 3.05Å; M176-F184 HydrophobicContact CB-CZ 4.48Å; M176-F184 HydrophobicContact CG-CZ 3.95Å; M176-F184 HydrophobicContact SD-CE1 4.29Å; M176-F184 HydrophobicContact SD-CE2 4.43Å; M176-F184 HydrophobicContact SD-CZ 3.55Å; M176-F184 VanDerWaalsContact SD-CZ 3.55Å; M176-I311 HydrophobicContact CE-CB 3.81Å; M176-I311 HydrophobicContact CE-CG2 4.14Å; M176-I311 WeakPolarHBondContact CE-O 3.36Å; M176-I311 HydrophobicContact SD-CB 3.72Å; M176-I311 HydrophobicContact SD-CD1 4.43Å; M176-I311 HydrophobicContact SD-CG2 3.58Å; M176-I311 VanDerWaalsContact SD-CG2 3.58Å | ||
| 177 | S | 54.9 | Low | 65.4 | Low | 80 Ų | 80 | 83.6 Ų | 83.6 | 56% | 0.559 | 48% | 0.481 | S | S | * | . | trans | -60.7 | 143.6 | 157.1 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | D179 | S177-D179 PolarHBondContact O-N 3.32Å; S177-D179 WeakPolarHBondContact OG-CB 3.41Å; S177-D179 PolarHBondContact OG-N 3.14Å | ||
| 178 | D | 66.2 | Low | 68 | Low | 174 Ų | 174 | 81 Ų | 81 | 93% | 0.93 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -61.9 | -9.4 | 167.9 | -70.6 | -36.2 | 0 | 0 | 0 | 111.8 | L180 | D178-L180 PolarHBondContact O-N 2.74Š|
| 179 | D | 81.1 | Confident | 70.1 | Confident | 89 Ų | 89 | 79.1 Ų | 79.1 | 48% | 0.476 | 44% | 0.439 | S | S | . | . | trans | -78.5 | 109.1 | 173 | -173 | 16.6 | 0 | 0 | 0 | 112.1 | S177 S181 | S177-D179 PolarHBondContact O-N 3.32Å; S177-D179 WeakPolarHBondContact OG-CB 3.41Å; S177-D179 PolarHBondContact OG-N 3.14Å; D179-S181 VanDerWaalsContact C-N 3.32Å; D179-S181 WeakPolarHBondContact OD1-CB 3.39Å; D179-S181 PolarHBondContact OD1-N 2.88Å; D179-S181 PolarHBondContact OD1-OG 2.77Å; D179-S181 VanDerWaalsContact OD1-OG 3.05Å; D179-S181 PolarHBondContact OD2-OG 2.83Å | ||
| 180 | L | 89.6 | Confident | 72.5 | Confident | 48 Ų | 48 | 77.3 Ų | 77.3 | 25% | 0.251 | 43% | 0.429 | S | S | . | . | trans | -92.8 | 17.6 | 173 | -64.2 | 178.7 | 0 | 0 | 0 | 112.6 | D178 F184 L308 L309 I311 | D178-L180 PolarHBondContact O-N 2.74Å; L180-F184 HydrophobicContact CD2-CD2 4.31Å; L180-F184 HydrophobicContact CD2-CE2 3.99Å; L180-L308 HydrophobicContact CB-CB 3.91Å; L180-L309 WeakPolarHBondContact CD1-O 3.45Å; L180-I311 HydrophobicContact CD2-CD1 4.14Å; L180-I311 HydrophobicContact CD2-CG1 4.36Å | ||
| 181 | S | 92 | Very high | 75.1 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 43% | 0.434 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 149.3 | 175.6 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | D179 P183 F184 | D179-S181 VanDerWaalsContact C-N 3.32Å; D179-S181 WeakPolarHBondContact OD1-CB 3.39Å; D179-S181 PolarHBondContact OD1-N 2.88Å; D179-S181 PolarHBondContact OD1-OG 2.77Å; D179-S181 VanDerWaalsContact OD1-OG 3.05Å; D179-S181 PolarHBondContact OD2-OG 2.83Å; S181-P183 CarbonylContact O-C 3.44Å; S181-F184 WeakPolarHBondContact O-CA 3.1Å; S181-F184 PolarHBondContact O-N 2.84Å |
| 182 | L | 93.4 | Very high | 77.7 | Confident | 53 Ų | 53 | 67 Ų | 67 | 28% | 0.277 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -96.2 | 140.5 | 175.1 | -65.4 | -177.8 | 0 | 0 | 0 | 110.7 | F184 I302 G304 L306 L308 | L182-F184 HydrophobicContact CD2-CB 3.92Å; L182-I302 HydrophobicContact CD2-CB 4.25Å; L182-I302 HydrophobicContact CD2-CG2 4.03Å; L182-I302 WeakPolarHBondContact CD2-O 3.4Å; L182-G304 WeakPolarHBondContact CD1-O 3.38Å; L182-L306 HydrophobicContact CD1-CD1 3.76Å; L182-L306 HydrophobicContact CD1-CG 3.84Å; L182-L306 WeakPolarHBondContact CD1-O 3.45Å; L182-L306 HydrophobicContact CD2-CD1 4.36Å; L182-L306 HydrophobicContact CG-CD1 4.47Å; L182-L308 HydrophobicContact CD2-CD1 3.52Å; L182-L308 HydrophobicContact CD2-CG 3.94Å; L182-L308 HydrophobicContact CG-CD1 4.49Å |
| 183 | P | 95.6 | Very high | 79.9 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | S | Bend | cis | -71.5 | 129.5 | 0.2 | 31.4 | -36.5 | 0 | 0 | 0 | 112.4 | S181 L303 | S181-P183 CarbonylContact O-C 3.44Å; P183-L303 HydrophobicContact CB-CD1 4.43Å; P183-L303 HydrophobicContact CB-CD2 3.56Å; P183-L303 HydrophobicContact CB-CG 3.56Å |
| 184 | F | 94.6 | Very high | 81.9 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 135.4 | 179.5 | 175.6 | -90.9 | 0 | 0 | 0 | 110.2 | M176 L180 S181 L182 L300 E301 I302 L308 I311 | M176-F184 HydrophobicContact CB-CZ 4.48Å; M176-F184 HydrophobicContact CG-CZ 3.95Å; M176-F184 HydrophobicContact SD-CE1 4.29Å; M176-F184 HydrophobicContact SD-CE2 4.43Å; M176-F184 HydrophobicContact SD-CZ 3.55Å; M176-F184 VanDerWaalsContact SD-CZ 3.55Å; L180-F184 HydrophobicContact CD2-CD2 4.31Å; L180-F184 HydrophobicContact CD2-CE2 3.99Å; S181-F184 WeakPolarHBondContact O-CA 3.1Å; S181-F184 PolarHBondContact O-N 2.84Å; L182-F184 HydrophobicContact CD2-CB 3.92Å; F184-L300 HydrophobicContact CE1-CD2 4.23Å; F184-L300 HydrophobicContact CE1-CG 4.46Å; F184-E301 CarbonylContact O-C 3.58Å; F184-E301 WeakPolarHBondContact O-CA 3.04Å; F184-I302 HydrophobicContact CB-CB 4.26Å; F184-I302 HydrophobicContact CD1-CD1 4.29Å; F184-I302 HydrophobicContact CD1-CG1 4.33Å; F184-I302 PolarHBondContact N-O 2.92Å; F184-I302 PolarHBondContact O-N 3.3Å; F184-L308 HydrophobicContact CB-CD1 3.44Å; F184-L308 VanDerWaalsContact CB-CD1 3.44Å; F184-L308 HydrophobicContact CD1-CD1 4.35Å; F184-L308 HydrophobicContact CD2-CD1 4.15Å; F184-L308 HydrophobicContact CG-CD1 3.72Å; F184-I311 HydrophobicContact CD1-CD1 3.58Å; F184-I311 HydrophobicContact CD2-CD1 4.28Å; F184-I311 HydrophobicContact CE1-CD1 3.34Å; F184-I311 HydrophobicContact CE2-CD1 4.06Å; F184-I311 HydrophobicContact CG-CD1 4.06Å; F184-I311 HydrophobicContact CZ-CD1 3.6Å |
| 185 | R | 92.6 | Very high | 83.3 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 122.2 | 169.6 | -77.8 | -170 | 172.9 | -136.5 | 11.4 | 111.2 | E299 L300 E301 | R185-E299 IonicContact NH1-OE2 3.94Å; R185-E299 PolarHBondContact NH1-OE2 3.13Å; R185-L300 CarbonylContact C-O 3.6Å; R185-L300 WeakPolarHBondContact CA-O 3.29Å; R185-E301 HydrophobicContact CG-CB 4.17Å; R185-E301 HydrophobicContact CG-CG 4.31Å; R185-E301 IonicContact CZ-OE1 3.08Å; R185-E301 IonicContact NE-OE1 2.94Å; R185-E301 PolarHBondContact NE-OE1 2.84Å; R185-E301 IonicContact NH2-OE1 2.66Å; R185-E301 PolarHBondContact NH2-OE1 3.3Å |
| 186 | G | 90 | Very high | 85.2 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E299 L300 | G186-E299 WeakPolarHBondContact O-CA 3.48Å; G186-L300 PolarHBondContact N-O 3.21Å; G186-L300 PolarHBondContact O-N 2.88Å |
| 187 | K | 90.1 | Very high | 86.6 | Confident | 136 Ų | 136 | 62.5 Ų | 62.5 | 59% | 0.591 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 133.8 | 175 | -71.8 | -170 | 176.3 | -173.4 | 0 | 111.8 | S175 T298 | S175-K187 PolarHBondContact N-O 2.82Å; K187-T298 WeakPolarHBondContact CA-O 3.33Å |
| 188 | L | 87.6 | Confident | 88.4 | Confident | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 104.7 | 172.6 | -48.9 | 166.7 | 0 | 0 | 0 | 107.8 | L174 K190 G191 L192 I297 T298 L313 | L174-L188 HydrophobicContact CD2-CD2 3.52Å; L174-L188 HydrophobicContact CG-CD2 4.24Å; L188-K190 VanDerWaalsContact C-N 3.26Å; L188-K190 PolarHBondContact O-N 2.87Å; L188-K190 VanDerWaalsContact O-N 3.15Å; L188-G191 PolarHBondContact O-N 2.8Å; L188-G191 VanDerWaalsContact O-N 3.14Å; L188-L192 HydrophobicContact CD1-CD2 3.77Å; L188-L192 HydrophobicContact CD1-CG 4.01Å; L188-I297 WeakPolarHBondContact CD1-O 3.35Å; L188-T298 PolarHBondContact N-O 3.43Å; L188-L313 HydrophobicContact CD2-CD1 4.15Å; L188-L313 HydrophobicContact CD2-CD2 3.74Å; L188-L313 HydrophobicContact CD2-CG 4.46Å |
| 189 | T | 81.5 | Confident | 89.6 | Confident | 93 Ų | 93 | 51.1 Ų | 51.1 | 57% | 0.571 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -28.5 | -167.1 | 42.8 | 0 | 0 | 0 | 0 | 115 | V173 | V173-T189 WeakPolarHBondContact O-CG2 3.18Å; V173-T189 PolarHBondContact O-OG1 3.44Å; V173-T189 VanDerWaalsContact O-OG1 3.13Å |
| 190 | K | 86.1 | Confident | 90.3 | Very high | 117 Ų | 117 | 46.9 Ų | 46.9 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 8.7 | 177.5 | -59.2 | -173.5 | -161.2 | 157.7 | 0 | 113.8 | E172 L188 | E172-K190 WeakPolarHBondContact OE1-CD 3.44Å; E172-K190 IonicContact OE1-NZ 3.41Å; E172-K190 PolarHBondContact OE1-NZ 2.63Å; L188-K190 VanDerWaalsContact C-N 3.26Å; L188-K190 PolarHBondContact O-N 2.87Å; L188-K190 VanDerWaalsContact O-N 3.15Å |
| 191 | G | 90.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | 66 | -163.1 | -169 | 0 | 0 | 0 | 0 | 0 | 113.6 | L188 S295 I297 | L188-G191 PolarHBondContact O-N 2.8Å; L188-G191 VanDerWaalsContact O-N 3.14Å; G191-S295 WeakPolarHBondContact CA-O 3.41Å; G191-I297 CarbonylContact C-O 3.56Å; G191-I297 WeakPolarHBondContact CA-O 3Å | ||
| 192 | L | 93.9 | Very high | 90.3 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | trans | -92.5 | 153.4 | -179.7 | -64.8 | -178.6 | 0 | 0 | 0 | 112.5 | L188 H196 I198 L215 F275 L294 S295 I297 L313 | L188-L192 HydrophobicContact CD1-CD2 3.77Å; L188-L192 HydrophobicContact CD1-CG 4.01Å; L192-H196 HydrophobicContact CD2-CB 4.16Å; L192-I198 HydrophobicContact CD1-CD1 4.38Å; L192-I198 HydrophobicContact CD2-CD1 4.17Å; L192-L215 HydrophobicContact CD1-CD1 3.88Å; L192-F275 HydrophobicContact CD1-CE1 3.98Å; L192-F275 HydrophobicContact CD1-CZ 4.36Å; L192-L294 HydrophobicContact CB-CB 4.28Å; L192-L294 PolarHBondContact N-O 3.41Å; L192-L294 CarbonylContact O-C 3.52Å; L192-L294 VanDerWaalsContact O-CB 3.23Å; L192-L294 WeakPolarHBondContact O-CB 3.46Å; L192-S295 PolarHBondContact O-N 2.95Å; L192-I297 HydrophobicContact CB-CB 4.48Å; L192-I297 HydrophobicContact CD1-CB 4.16Å; L192-I297 HydrophobicContact CD1-CD1 4.44Å; L192-I297 HydrophobicContact CD1-CG2 3.8Å; L192-I297 HydrophobicContact CG-CB 4.23Å; L192-I297 HydrophobicContact CG-CG2 4.21Å; L192-I297 PolarHBondContact N-O 2.85Å; L192-L313 HydrophobicContact CD2-CD1 4.15Å | ||
| 193 | S | 91.3 | Very high | 90.2 | Very high | 53 Ų | 53 | 44.3 Ų | 44.3 | 37% | 0.371 | 24% | 0.238 | S | C | . | . | trans | -137.9 | 163.8 | 173.1 | 84.4 | 0 | 0 | 0 | 0 | 109.5 | G195 H196 | S193-G195 PolarHBondContact O-N 3.23Å; S193-H196 PolarHBondContact N-ND1 2.88Å; S193-H196 WeakPolarHBondContact O-CB 3.45Å; S193-H196 PolarHBondContact O-N 2.85Å; S193-H196 VanDerWaalsContact O-N 3.09Å; S193-H196 PolarHBondContact OG-CD2 2.72Å; S193-H196 PolarHBondContact OG-CE1 3.22Å; S193-H196 PolarHBondContact OG-ND1 2.87Å; S193-H196 PolarHBondContact OG-NE2 2.95Å | ||
| 194 | V | 89.8 | Confident | 90.2 | Very high | 89 Ų | 89 | 40.2 Ų | 40.2 | 54% | 0.539 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 129.2 | 177.7 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | A272 L294 | V194-A272 HydrophobicContact CG1-CB 4.37Å; V194-A272 HydrophobicContact CG2-CB 4.31Å; V194-L294 HydrophobicContact CG2-CD1 3.96Å |
| 195 | G | 81.8 | Confident | 90.2 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 46% | 0.464 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -17.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S193 T197 C270 | S193-G195 PolarHBondContact O-N 3.23Å; G195-T197 PolarHBondContact O-N 2.72Å; G195-T197 PolarHBondContact O-OG1 2.83Å; G195-C270 PolarHBondContact N-O 2.84Å |
| 196 | H | 89 | Confident | 90.1 | Very high | 16 Ų | 16 | 41.8 Ų | 41.8 | 7% | 0.074 | 23% | 0.233 | C | C | . | . | trans | -61.6 | 139.2 | 176.6 | -75.2 | 171.8 | 0 | 0 | 0 | 111.4 | E172 L192 S193 C270 L313 W314 | E172-H196 IonicContact OE2-CE1 2.6Å; E172-H196 PolarHBondContact OE2-CE1 2.8Å; E172-H196 IonicContact OE2-NE2 3.81Å; E172-H196 PolarHBondContact OE2-NE2 3.26Å; L192-H196 HydrophobicContact CD2-CB 4.16Å; S193-H196 PolarHBondContact N-ND1 2.88Å; S193-H196 WeakPolarHBondContact O-CB 3.45Å; S193-H196 PolarHBondContact O-N 2.85Å; S193-H196 VanDerWaalsContact O-N 3.09Å; S193-H196 PolarHBondContact OG-CD2 2.72Å; S193-H196 PolarHBondContact OG-CE1 3.22Å; S193-H196 PolarHBondContact OG-ND1 2.87Å; S193-H196 PolarHBondContact OG-NE2 2.95Å; H196-C270 HydrophobicContact CB-CB 4.45Å; H196-C270 WeakPolarHBondContact O-CB 3.22Å; H196-C270 PolarHBondContact O-N 3.09Å; H196-L313 HydrophobicContact CB-CD1 4.49Å; H196-W314 CarbonylContact C-O 3.56Å; H196-W314 VanDerWaalsContact CA-O 3.25Å; H196-W314 WeakPolarHBondContact CA-O 3.04Å | ||
| 197 | T | 86.9 | Confident | 90.3 | Very high | 11 Ų | 11 | 51.8 Ų | 51.8 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 124 | -179 | -58.8 | 0 | 0 | 0 | 0 | 110.1 | L22 G195 I267 I268 L269 L313 W314 | L22-T197 HydrophobicContact CD1-CG2 4.19Å; G195-T197 PolarHBondContact O-N 2.72Å; G195-T197 PolarHBondContact O-OG1 2.83Å; T197-I267 HydrophobicContact CG2-CG2 3.3Å; T197-I268 WeakPolarHBondContact CA-O 3.42Å; T197-L269 WeakPolarHBondContact OG1-CD1 3.28Å; T197-L313 WeakPolarHBondContact O-CA 3.3Å; T197-W314 PolarHBondContact N-O 3.13Å; T197-W314 PolarHBondContact O-N 3.35Å |
| 198 | I | 93.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 119.4 | 170.9 | -56.8 | 167.9 | 0 | 0 | 0 | 108.1 | L192 I200 L215 I267 I268 L300 K312 L313 | L192-I198 HydrophobicContact CD1-CD1 4.38Å; L192-I198 HydrophobicContact CD2-CD1 4.17Å; I198-I200 HydrophobicContact CG2-CD1 4.34Å; I198-I200 HydrophobicContact CG2-CG1 4.08Å; I198-L215 HydrophobicContact CD1-CD1 4.12Å; I198-L215 HydrophobicContact CD1-CD2 3.34Å; I198-L215 HydrophobicContact CD1-CG 4.39Å; I198-I267 CarbonylContact O-C 3.57Å; I198-I267 WeakPolarHBondContact O-CA 3.38Å; I198-I268 HydrophobicContact CB-CB 4.34Å; I198-I268 PolarHBondContact N-O 3.2Å; I198-I268 PolarHBondContact O-N 3.39Å; I198-L300 HydrophobicContact CG2-CD2 4.02Å; I198-K312 CarbonylContact C-O 3.52Å; I198-K312 WeakPolarHBondContact CA-O 3.37Å; I198-L313 HydrophobicContact CD1-CD1 4.49Å; I198-L313 HydrophobicContact CG1-CD1 3.54Å |
| 199 | T | 90.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.9 | 172.7 | -53 | 0 | 0 | 0 | 0 | 109.2 | K201 E265 M266 I267 I311 K312 W314 | T199-K201 HydrophobicContact CG2-CG 4.37Å; T199-E265 HydrophobicContact CG2-CG 3.96Å; T199-M266 CarbonylContact C-O 3.31Å; T199-M266 WeakPolarHBondContact CA-O 3.15Å; T199-I267 HydrophobicContact CG2-CG1 4.18Å; T199-I311 CarbonylContact O-C 3.5Å; T199-I311 VanDerWaalsContact O-CA 3.31Å; T199-I311 WeakPolarHBondContact O-CA 3.3Å; T199-K312 PolarHBondContact N-O 3.48Å; T199-K312 PolarHBondContact O-N 2.77Å; T199-W314 PolarHBondContact OG1-NE1 3.24Å |
| 200 | I | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119.3 | 177.1 | -59.2 | 164.2 | 0 | 0 | 0 | 107.4 | I198 V213 F264 M266 I268 L300 I302 L308 | I198-I200 HydrophobicContact CG2-CD1 4.34Å; I198-I200 HydrophobicContact CG2-CG1 4.08Å; I200-V213 HydrophobicContact CD1-CB 4.33Å; I200-V213 HydrophobicContact CD1-CG1 3.46Å; I200-V213 VanDerWaalsContact CD1-CG1 3.46Å; I200-V213 HydrophobicContact CD1-CG2 3.89Å; I200-F264 HydrophobicContact CG2-CE2 4.23Å; I200-M266 HydrophobicContact CB-CB 4.39Å; I200-M266 HydrophobicContact CD1-SD 4.37Å; I200-M266 PolarHBondContact N-O 2.78Å; I200-M266 PolarHBondContact O-N 3.26Å; I200-I268 HydrophobicContact CD1-CD1 4.41Å; I200-L300 HydrophobicContact CD1-CD1 4.27Å; I200-I302 HydrophobicContact CD1-CD1 3.78Å; I200-I302 HydrophobicContact CG1-CD1 4.04Å; I200-I302 HydrophobicContact CG2-CD1 3.84Å; I200-L308 HydrophobicContact CG2-CD2 3.79Å |
| 201 | K | 90.7 | Very high | 92.5 | Very high | 28 Ų | 28 | 43 Ų | 43 | 12% | 0.122 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.4 | 172.8 | -57.3 | -175.6 | 175.9 | -143.4 | 0 | 108.7 | T199 Y263 F264 E265 L309 D310 | T199-K201 HydrophobicContact CG2-CG 4.37Å; K201-Y263 HydrophobicContact CB-CE2 4.18Å; K201-Y263 WeakPolarHBondContact CD-OH 3.33Å; K201-F264 WeakPolarHBondContact CA-O 3.23Å; K201-E265 WeakPolarHBondContact CE-OE2 3.29Å; K201-E265 HydrophobicContact CG-CG 4.25Å; K201-E265 IonicContact NZ-OE2 3.85Å; K201-E265 PolarHBondContact NZ-OE2 2.89Å; K201-L309 HydrophobicContact CB-CB 4.29Å; K201-L309 PolarHBondContact O-N 3.39Å; K201-D310 HydrophobicContact CB-CB 3.93Å; K201-D310 HydrophobicContact CD-CB 4Å; K201-D310 HydrophobicContact CG-CB 4.15Å; K201-D310 PolarHBondContact N-O 2.65Å; K201-D310 PolarHBondContact O-N 3.21Å |
| 202 | G | 91.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 174.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y263 F264 Q307 | G202-Y263 CarbonylContact O-C 3.56Å; G202-Y263 WeakPolarHBondContact O-CA 3.31Å; G202-Y263 WeakPolarHBondContact O-CD2 3.21Å; G202-F264 PolarHBondContact N-O 3.26Å; G202-F264 WeakPolarHBondContact O-CD1 3.36Å; G202-F264 PolarHBondContact O-N 2.68Å; G202-Q307 CarbonylContact C-O 3.52Å; G202-Q307 WeakPolarHBondContact CA-O 3.45Å |
| 203 | Q | 90.8 | Very high | 93.1 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 127.7 | 167.9 | -174.2 | 175.4 | 23.8 | 0 | 0 | 107.3 | G261 E262 L306 Q307 L309 | Q203-G261 WeakPolarHBondContact CG-O 3.25Å; Q203-G261 PolarHBondContact NE2-O 2.68Å; Q203-E262 WeakPolarHBondContact CA-O 3.27Å; Q203-L306 CarbonylContact O-C 3.51Å; Q203-L306 VanDerWaalsContact O-CA 3.3Å; Q203-L306 WeakPolarHBondContact O-CA 3.36Å; Q203-L306 WeakPolarHBondContact O-CB 3.4Å; Q203-Q307 PolarHBondContact N-O 3.49Å; Q203-Q307 PolarHBondContact O-N 2.79Å; Q203-L309 HydrophobicContact CB-CD1 4.41Å |
| 204 | T | 95.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 150.2 | 175.4 | 70.9 | 0 | 0 | 0 | 0 | 109.7 | F211 M231 F258 S259 P260 G261 E262 F264 | T204-F211 HydrophobicContact CG2-CE1 4.25Å; T204-M231 HydrophobicContact CG2-CE 4.42Å; T204-F258 HydrophobicContact CG2-CB 4.47Å; T204-S259 PolarHBondContact OG1-O 3.06Å; T204-P260 WeakPolarHBondContact OG1-CA 3.3Å; T204-G261 WeakPolarHBondContact O-CA 3.22Å; T204-G261 PolarHBondContact O-N 3.13Å; T204-G261 PolarHBondContact OG1-N 3.38Å; T204-E262 PolarHBondContact N-O 3.33Å; T204-E262 PolarHBondContact OG1-N 3.02Å; T204-F264 HydrophobicContact CG2-CD1 4.01Å; T204-F264 HydrophobicContact CG2-CE1 4.23Å |
| 205 | S | 95.7 | Very high | 93.9 | Very high | 47 Ų | 47 | 38 Ų | 38 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | trans | -60.6 | 161.7 | 174.2 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | Y207 P208 G261 D305 L306 | S205-Y207 PolarHBondContact O-N 3.32Å; S205-P208 WeakPolarHBondContact O-CD 3.28Å; S205-P208 VanDerWaalsContact O-CG 3.27Å; S205-P208 WeakPolarHBondContact O-CG 3.46Å; S205-G261 PolarHBondContact O-N 2.99Å; S205-D305 PolarHBondContact N-O 2.76Å; S205-D305 PolarHBondContact OG-O 2.89Å; S205-L306 PolarHBondContact OG-N 3.28Å | ||
| 206 | L | 89.9 | Confident | 94.6 | Very high | 126 Ų | 126 | 36.6 Ų | 36.6 | 66% | 0.66 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -62.9 | -25.8 | 178.2 | -69 | 175.4 | 0 | 0 | 0 | 113.5 | P260 | L206-P260 WeakPolarHBondContact O-CB 3.48Š|
| 207 | Y | 95.3 | Very high | 95 | Very high | 213 Ų | 213 | 36 Ų | 36 | 84% | 0.835 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -134.2 | 64.1 | 179.3 | -54.3 | -75.6 | 0 | 0 | 0 | 110.8 | S205 | S205-Y207 PolarHBondContact O-N 3.32Š|
| 208 | P | 96.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 36 Ų | 36 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | trans | -79.7 | 132 | -172.8 | 27 | -18 | 0 | 0 | 0 | 110.2 | S205 M231 P260 D305 | S205-P208 WeakPolarHBondContact O-CD 3.28Å; S205-P208 VanDerWaalsContact O-CG 3.27Å; S205-P208 WeakPolarHBondContact O-CG 3.46Å; P208-M231 HydrophobicContact CB-CE 4.19Å; P208-M231 HydrophobicContact CB-CG 3.9Å; P208-M231 HydrophobicContact CG-CG 3.79Å; P208-M231 VanDerWaalsContact O-CB 3.22Å; P208-M231 WeakPolarHBondContact O-CB 3.29Å; P208-M231 WeakPolarHBondContact O-CG 3.37Å; P208-P260 HydrophobicContact CG-CB 4.07Å; P208-P260 HydrophobicContact CG-CG 4.2Å; P208-D305 HydrophobicContact CB-CB 3.66Å | ||
| 209 | H | 97.3 | Very high | 95 | Very high | 122 Ų | 122 | 43.7 Ų | 43.7 | 57% | 0.565 | 22% | 0.22 | S | C | * | . | trans | -83.9 | -53.1 | 165.9 | -178.6 | -87.5 | 0 | 0 | 0 | 110.1 | M231 D305 | H209-M231 PolarHBondContact O-N 2.71Å; H209-D305 WeakPolarHBondContact CA-OD2 3.21Å; H209-D305 WeakPolarHBondContact CB-OD2 3.41Å; H209-D305 PolarHBondContact N-OD2 2.66Å | ||
| 210 | S | 98.3 | Very high | 95.2 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -166.4 | 157.2 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 111.9 | P229 D305 | S210-P229 VanDerWaalsContact CA-O 3.29Å; S210-P229 WeakPolarHBondContact CA-O 3.42Å; S210-P229 VanDerWaalsContact CB-O 3.24Å; S210-P229 WeakPolarHBondContact CB-O 3.25Å; S210-D305 PolarHBondContact N-OD2 2.94Å; S210-D305 PolarHBondContact O-N 3.47Å |
| 211 | F | 98.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 170 | 161.1 | 70.6 | -98.7 | 0 | 0 | 0 | 110.2 | T204 V213 N228 P229 M231 F258 F264 M266 L303 L306 | T204-F211 HydrophobicContact CG2-CE1 4.25Å; F211-V213 HydrophobicContact CD2-CG2 4.32Å; F211-V213 HydrophobicContact CE2-CG2 4.13Å; F211-N228 PolarHBondContact O-ND2 3.17Å; F211-P229 HydrophobicContact CD1-CB 4.44Å; F211-P229 HydrophobicContact CD1-CG 4.45Å; F211-P229 HydrophobicContact CD2-CG 4.41Å; F211-P229 HydrophobicContact CE1-CB 4.05Å; F211-P229 HydrophobicContact CE1-CG 3.9Å; F211-P229 HydrophobicContact CE2-CG 3.88Å; F211-P229 HydrophobicContact CZ-CB 4.26Å; F211-P229 HydrophobicContact CZ-CG 3.6Å; F211-P229 PolarHBondContact N-O 2.86Å; F211-P229 VanDerWaalsContact O-CD 3.31Å; F211-P229 WeakPolarHBondContact O-CD 3.2Å; F211-M231 HydrophobicContact CD1-CE 3.32Å; F211-M231 HydrophobicContact CE1-CE 3.54Å; F211-M231 HydrophobicContact CG-CE 4.5Å; F211-F258 AromaticContact CE1-CD1 3.97Å; F211-F258 HydrophobicContact CE1-CD1 3.97Å; F211-F258 HydrophobicContact CE1-CD2 4.5Å; F211-F258 HydrophobicContact CE1-CE1 4.11Å; F211-F258 HydrophobicContact CE1-CG 4.18Å; F211-F258 HydrophobicContact CE1-CZ 4.43Å; F211-F258 AromaticContact CZ-CD1 3.95Å; F211-F258 HydrophobicContact CZ-CD1 3.95Å; F211-F258 AromaticContact CZ-CE1 3.6Å; F211-F258 HydrophobicContact CZ-CE1 3.6Å; F211-F258 HydrophobicContact CZ-CE2 4.2Å; F211-F258 HydrophobicContact CZ-CG 4.4Å; F211-F258 AromaticContact CZ-CZ 3.74Å; F211-F258 HydrophobicContact CZ-CZ 3.74Å; F211-F264 HydrophobicContact CE1-CE1 4.46Å; F211-F264 HydrophobicContact CE2-CZ 4.32Å; F211-F264 HydrophobicContact CZ-CE1 4.31Å; F211-F264 HydrophobicContact CZ-CE2 4.34Å; F211-F264 HydrophobicContact CZ-CZ 4.03Å; F211-M266 HydrophobicContact CE2-CE 3.95Å; F211-M266 HydrophobicContact CZ-CE 4.15Å; F211-L303 CarbonylContact C-O 3.49Å; F211-L303 VanDerWaalsContact CA-O 3.29Å; F211-L303 WeakPolarHBondContact CA-O 2.94Å; F211-L303 VanDerWaalsContact CB-O 3.29Å; F211-L303 WeakPolarHBondContact CB-O 3.46Å; F211-L306 HydrophobicContact CB-CD2 3.58Å; F211-L306 HydrophobicContact CB-CG 4.34Å; F211-L306 HydrophobicContact CD1-CD2 3.95Å; F211-L306 HydrophobicContact CD2-CD2 3.44Å; F211-L306 VanDerWaalsContact CD2-CD2 3.44Å; F211-L306 HydrophobicContact CE1-CD2 4.47Å; F211-L306 HydrophobicContact CE2-CD2 3.99Å; F211-L306 HydrophobicContact CG-CD2 3.42Å; F211-L306 VanDerWaalsContact CG-CD2 3.42Å; F211-L306 HydrophobicContact CZ-CD2 4.47Å |
| 212 | L | 98.4 | Very high | 95.5 | Very high | 39 Ų | 39 | 51.9 Ų | 51.9 | 20% | 0.204 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 149.9 | 175.4 | 67.6 | 78.9 | 0 | 0 | 0 | 112.3 | N214 L227 I302 L303 | L212-N214 HydrophobicContact CD1-CB 4.44Å; L212-N214 WeakPolarHBondContact CD1-ND2 3.35Å; L212-L227 CarbonylContact C-O 3.49Å; L212-L227 WeakPolarHBondContact CA-O 3.42Å; L212-I302 WeakPolarHBondContact O-CA 3.33Å; L212-I302 WeakPolarHBondContact O-CG2 3.5Å; L212-L303 HydrophobicContact CD1-CB 4.11Å; L212-L303 HydrophobicContact CD1-CD1 3.51Å; L212-L303 HydrophobicContact CD1-CG 4.42Å; L212-L303 HydrophobicContact CD2-CB 4.45Å; L212-L303 HydrophobicContact CG-CB 4.03Å; L212-L303 HydrophobicContact CG-CD1 4.27Å; L212-L303 PolarHBondContact N-O 3.03Å; L212-L303 PolarHBondContact O-N 3.22Å; L212-L303 VanDerWaalsContact O-N 3.15Å |
| 213 | V | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 120.3 | 169.5 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | I200 F211 L227 M266 I268 L300 E301 I302 | I200-V213 HydrophobicContact CD1-CB 4.33Å; I200-V213 HydrophobicContact CD1-CG1 3.46Å; I200-V213 VanDerWaalsContact CD1-CG1 3.46Å; I200-V213 HydrophobicContact CD1-CG2 3.89Å; F211-V213 HydrophobicContact CD2-CG2 4.32Å; F211-V213 HydrophobicContact CE2-CG2 4.13Å; V213-L227 HydrophobicContact CB-CB 4.17Å; V213-L227 PolarHBondContact N-O 3.44Å; V213-L227 WeakPolarHBondContact O-CB 3.45Å; V213-L227 PolarHBondContact O-N 2.81Å; V213-M266 HydrophobicContact CB-SD 4.47Å; V213-M266 HydrophobicContact CG2-CE 4.36Å; V213-M266 HydrophobicContact CG2-SD 4.04Å; V213-I268 HydrophobicContact CG1-CD1 3.9Å; V213-L300 HydrophobicContact CG1-CD1 3.77Å; V213-E301 CarbonylContact C-O 3.55Å; V213-E301 WeakPolarHBondContact CA-O 3.32Å; V213-I302 HydrophobicContact CG1-CG1 4.38Å; V213-I302 HydrophobicContact CG2-CG1 4.27Å; V213-I302 HydrophobicContact CG2-CG2 4.32Å |
| 214 | N | 98.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.4 | -178.7 | -71.6 | -18.9 | 0 | 0 | 0 | 109.8 | L212 R216 I223 L225 H226 L300 E301 | L212-N214 HydrophobicContact CD1-CB 4.44Å; L212-N214 WeakPolarHBondContact CD1-ND2 3.35Å; N214-R216 HydrophobicContact CB-CG 3.98Å; N214-I223 HydrophobicContact CB-CG2 4.03Å; N214-L225 CarbonylContact C-O 3.45Å; N214-L225 WeakPolarHBondContact CA-O 3.44Å; N214-H226 PolarHBondContact OD1-ND1 3.4Å; N214-L300 WeakPolarHBondContact O-CA 3.32Å; N214-E301 HydrophobicContact CB-CB 4Å; N214-E301 HydrophobicContact CB-CG 4.36Å; N214-E301 PolarHBondContact N-O 2.91Å; N214-E301 PolarHBondContact ND2-OE2 2.82Å; N214-E301 PolarHBondContact O-N 3.24Å |
| 215 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 110 | 161 | -56.7 | -177.4 | 0 | 0 | 0 | 108.1 | L192 I198 A224 L225 I268 F275 I297 E299 L300 | L192-L215 HydrophobicContact CD1-CD1 3.88Å; I198-L215 HydrophobicContact CD1-CD1 4.12Å; I198-L215 HydrophobicContact CD1-CD2 3.34Å; I198-L215 HydrophobicContact CD1-CG 4.39Å; L215-A224 PolarHBondContact O-N 2.84Å; L215-L225 HydrophobicContact CB-CB 4.13Å; L215-L225 HydrophobicContact CD1-CB 4.19Å; L215-L225 HydrophobicContact CD1-CD2 3.87Å; L215-L225 HydrophobicContact CG-CB 4.28Å; L215-L225 HydrophobicContact CG-CD2 4.36Å; L215-L225 PolarHBondContact N-O 3.31Å; L215-L225 PolarHBondContact O-N 2.87Å; L215-I268 HydrophobicContact CD1-CG2 4.15Å; L215-F275 HydrophobicContact CD1-CD1 4.39Å; L215-F275 HydrophobicContact CD1-CE1 3.94Å; L215-F275 HydrophobicContact CD1-CZ 4.13Å; L215-I297 HydrophobicContact CB-CG2 3.66Å; L215-E299 WeakPolarHBondContact CA-O 3.39Å; L215-L300 HydrophobicContact CD2-CD1 3.8Å |
| 216 | R | 98.2 | Very high | 96.5 | Very high | 16 Ų | 16 | 47 Ų | 47 | 6% | 0.06 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 149.8 | -170.9 | -50.5 | -179.6 | 62.5 | 107.9 | 3.3 | 111.9 | N214 E221 D222 I223 I297 T298 E299 E301 | N214-R216 HydrophobicContact CB-CG 3.98Å; R216-E221 IonicContact CZ-OE2 2.99Å; R216-E221 PolarHBondContact NH2-O 3.46Å; R216-E221 IonicContact NH2-OE2 3.1Å; R216-E221 PolarHBondContact NH2-OE2 2.79Å; R216-D222 WeakPolarHBondContact CA-O 3.46Å; R216-I223 HydrophobicContact CG-CG1 4.38Å; R216-I297 CarbonylContact O-C 3.59Å; R216-I297 WeakPolarHBondContact O-CA 3.33Å; R216-T298 PolarHBondContact O-N 2.89Å; R216-T298 VanDerWaalsContact O-N 3.13Å; R216-E299 HydrophobicContact CB-CB 3.99Å; R216-E299 PolarHBondContact N-O 3.35Å; R216-E299 PolarHBondContact O-N 3.21Å; R216-E301 WeakPolarHBondContact CD-OE2 3.5Å; R216-E301 HydrophobicContact CG-CB 4.45Å; R216-E301 IonicContact CZ-OE2 2.62Å; R216-E301 IonicContact NH1-OE1 2.74Å; R216-E301 IonicContact NH1-OE2 3.14Å; R216-E301 PolarHBondContact NH1-OE2 2.88Å |
| 217 | V | 96.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.1 | 173.7 | 174.2 | 0 | 0 | 0 | 0 | 108.9 | T220 D222 A224 V291 R296 | V217-T220 WeakPolarHBondContact CB-OG1 3.33Å; V217-T220 HydrophobicContact CG1-CG2 4.15Å; V217-T220 WeakPolarHBondContact CG1-OG1 3.41Å; V217-T220 PolarHBondContact O-N 3.09Å; V217-T220 PolarHBondContact O-OG1 3.16Å; V217-D222 HydrophobicContact CB-CB 3.95Å; V217-D222 HydrophobicContact CG2-CB 4.05Å; V217-D222 PolarHBondContact N-O 2.79Å; V217-A224 HydrophobicContact CG2-CB 4.24Å; V217-V291 HydrophobicContact CG2-CG1 4.25Å; V217-V291 HydrophobicContact CG2-CG2 4.22Å; V217-R296 CarbonylContact C-O 3.56Å; V217-R296 VanDerWaalsContact CA-O 3.29Å; V217-R296 WeakPolarHBondContact CA-O 3.3Å; V217-R296 HydrophobicContact CG1-CB 4.06Å |
| 218 | G | 91.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 139.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T220 R296 T298 | G218-T220 PolarHBondContact O-N 3.35Å; G218-R296 PolarHBondContact N-O 3.44Å; G218-T298 WeakPolarHBondContact CA-OG1 3.21Å; G218-T298 PolarHBondContact N-OG1 3.46Å |
| 219 | N | 89.3 | Confident | 97.1 | Very high | 165 Ų | 165 | 30.8 Ų | 30.8 | 88% | 0.882 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 22.8 | 179.8 | -48.5 | -56 | 0 | 0 | 0 | 114.4 | ||
| 220 | T | 93.9 | Very high | 97.2 | Very high | 47 Ų | 47 | 29.4 Ų | 29.4 | 29% | 0.288 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -138.1 | 169.3 | 176.6 | 70.6 | 0 | 0 | 0 | 0 | 110.7 | V217 G218 D222 | V217-T220 WeakPolarHBondContact CB-OG1 3.33Å; V217-T220 HydrophobicContact CG1-CG2 4.15Å; V217-T220 WeakPolarHBondContact CG1-OG1 3.41Å; V217-T220 PolarHBondContact O-N 3.09Å; V217-T220 PolarHBondContact O-OG1 3.16Å; G218-T220 PolarHBondContact O-N 3.35Å; T220-D222 VanDerWaalsContact C-N 3.27Å; T220-D222 PolarHBondContact OG1-N 3.28Å |
| 221 | E | 94.1 | Very high | 97.1 | Very high | 132 Ų | 132 | 29.2 Ų | 29.2 | 62% | 0.617 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -84.8 | -1.8 | 169.5 | -66.1 | -57 | 148.7 | 0 | 0 | 113.3 | R216 Y241 | R216-E221 IonicContact CZ-OE2 2.99Å; R216-E221 PolarHBondContact NH2-O 3.46Å; R216-E221 IonicContact NH2-OE2 3.1Å; R216-E221 PolarHBondContact NH2-OE2 2.79Å; E221-Y241 WeakPolarHBondContact O-CD1 3.49Å |
| 222 | D | 97.5 | Very high | 96.8 | Very high | 32 Ų | 32 | 38.5 Ų | 38.5 | 17% | 0.171 | 19% | 0.188 | C | C | . | . | trans | -69.5 | 135.9 | -176.2 | -73.4 | -13 | 0 | 0 | 0 | 111.7 | R216 V217 T220 Y241 L242 S243 | R216-D222 WeakPolarHBondContact CA-O 3.46Å; V217-D222 HydrophobicContact CB-CB 3.95Å; V217-D222 HydrophobicContact CG2-CB 4.05Å; V217-D222 PolarHBondContact N-O 2.79Å; T220-D222 VanDerWaalsContact C-N 3.27Å; T220-D222 PolarHBondContact OG1-N 3.28Å; D222-Y241 CarbonylContact C-O 3.54Å; D222-Y241 VanDerWaalsContact CA-O 3.27Å; D222-Y241 WeakPolarHBondContact CA-O 3.43Å; D222-L242 HydrophobicContact CB-CD2 3.99Å; D222-L242 WeakPolarHBondContact OD1-CA 3.1Å; D222-S243 PolarHBondContact OD1-N 2.88Å | ||
| 223 | I | 98.8 | Very high | 96.6 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 108.4 | 175 | -53.3 | 172.4 | 0 | 0 | 0 | 107.9 | N214 R216 L225 H226 S240 Y241 W246 | N214-I223 HydrophobicContact CB-CG2 4.03Å; R216-I223 HydrophobicContact CG-CG1 4.38Å; I223-L225 WeakPolarHBondContact CG2-O 3.43Å; I223-H226 HydrophobicContact CG2-CB 3.93Å; I223-S240 CarbonylContact O-C 3.53Å; I223-S240 VanDerWaalsContact O-CA 3.22Å; I223-S240 WeakPolarHBondContact O-CA 3.35Å; I223-S240 VanDerWaalsContact O-CB 3.28Å; I223-S240 WeakPolarHBondContact O-CB 3.46Å; I223-Y241 PolarHBondContact N-O 3.02Å; I223-Y241 PolarHBondContact O-N 2.87Å; I223-W246 HydrophobicContact CD1-CH2 4.12Å |
| 224 | A | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -41 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L215 V217 S240 V291 I297 | L215-A224 PolarHBondContact O-N 2.84Å; V217-A224 HydrophobicContact CG2-CB 4.24Å; A224-S240 PolarHBondContact O-OG 2.85Å; A224-V291 HydrophobicContact CB-CB 4Å; A224-V291 HydrophobicContact CB-CG2 3.76Å; A224-I297 HydrophobicContact CB-CD1 3.53Å; A224-I297 HydrophobicContact CB-CG1 3.77Å; A224-I297 HydrophobicContact CB-CG2 4.49Å |
| 225 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 116.8 | 174.3 | 174.5 | 68.3 | 0 | 0 | 0 | 109.3 | N214 L215 I223 L227 I268 F275 Y287 | N214-L225 CarbonylContact C-O 3.45Å; N214-L225 WeakPolarHBondContact CA-O 3.44Å; L215-L225 HydrophobicContact CB-CB 4.13Å; L215-L225 HydrophobicContact CD1-CB 4.19Å; L215-L225 HydrophobicContact CD1-CD2 3.87Å; L215-L225 HydrophobicContact CG-CB 4.28Å; L215-L225 HydrophobicContact CG-CD2 4.36Å; L215-L225 PolarHBondContact N-O 3.31Å; L215-L225 PolarHBondContact O-N 2.87Å; I223-L225 WeakPolarHBondContact CG2-O 3.43Å; L225-L227 HydrophobicContact CD1-CD2 3.89Å; L225-L227 HydrophobicContact CD1-CG 4.18Å; L225-L227 HydrophobicContact CD2-CD1 4.09Å; L225-L227 HydrophobicContact CD2-CD2 4.39Å; L225-L227 HydrophobicContact CD2-CG 4.07Å; L225-L227 HydrophobicContact CG-CD2 4.24Å; L225-L227 HydrophobicContact CG-CG 3.98Å; L225-I268 HydrophobicContact CD2-CD1 4.5Å; L225-I268 HydrophobicContact CD2-CG2 3.93Å; L225-F275 HydrophobicContact CB-CD2 4.17Å; L225-F275 HydrophobicContact CB-CE2 4.09Å; L225-F275 HydrophobicContact CD1-CD2 4.46Å; L225-F275 HydrophobicContact CD2-CB 4.15Å; L225-F275 HydrophobicContact CD2-CD1 4.49Å; L225-F275 HydrophobicContact CD2-CD2 3.96Å; L225-F275 HydrophobicContact CD2-CG 3.94Å; L225-F275 HydrophobicContact CG-CD2 4.43Å; L225-Y287 HydrophobicContact CD1-CD1 3.39Å; L225-Y287 HydrophobicContact CD1-CE1 3.85Å; L225-Y287 HydrophobicContact CD1-CG 3.74Å |
| 226 | H | 98.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 43.6 Ų | 43.6 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.8 | 168.1 | 175.4 | 63.8 | 0 | 0 | 0 | 108.2 | N214 I223 N228 R238 N239 W246 | N214-H226 PolarHBondContact OD1-ND1 3.4Å; I223-H226 HydrophobicContact CG2-CB 3.93Å; H226-N228 VanDerWaalsContact NE2-CB 3.29Å; H226-N228 WeakPolarHBondContact NE2-CB 3.25Å; H226-R238 WeakPolarHBondContact O-CA 3.33Å; H226-N239 WeakPolarHBondContact CB-O 3.32Å; H226-N239 PolarHBondContact N-O 3.45Å; H226-N239 PolarHBondContact O-N 3.07Å; H226-N239 VanDerWaalsContact O-N 3.09Å; H226-W246 HydrophobicContact CB-CH2 3.85Å; H226-W246 HydrophobicContact CB-CZ3 3.63Å; H226-W246 AromaticContact CD2-CH2 3.51Å; H226-W246 AromaticContact CD2-CZ3 3.6Å; H226-W246 AromaticContact CG-CH2 3.48Å; H226-W246 VanDerWaalsContact CG-CH2 3.48Å; H226-W246 AromaticContact CG-CZ3 3.65Å; H226-W246 AromaticContact ND1-CH2 3.84Å; H226-W246 AromaticContact NE2-CH2 3.87Å |
| 227 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.4 | 174 | -69.5 | -179.6 | 0 | 0 | 0 | 108 | L212 V213 L225 F236 R238 M266 I268 V277 L285 | L212-L227 CarbonylContact C-O 3.49Å; L212-L227 WeakPolarHBondContact CA-O 3.42Å; V213-L227 HydrophobicContact CB-CB 4.17Å; V213-L227 PolarHBondContact N-O 3.44Å; V213-L227 WeakPolarHBondContact O-CB 3.45Å; V213-L227 PolarHBondContact O-N 2.81Å; L225-L227 HydrophobicContact CD1-CD2 3.89Å; L225-L227 HydrophobicContact CD1-CG 4.18Å; L225-L227 HydrophobicContact CD2-CD1 4.09Å; L225-L227 HydrophobicContact CD2-CD2 4.39Å; L225-L227 HydrophobicContact CD2-CG 4.07Å; L225-L227 HydrophobicContact CG-CD2 4.24Å; L225-L227 HydrophobicContact CG-CG 3.98Å; L227-F236 HydrophobicContact CB-CE2 3.8Å; L227-F236 HydrophobicContact CB-CZ 4.26Å; L227-F236 HydrophobicContact CD1-CZ 4.49Å; L227-F236 HydrophobicContact CD2-CE2 4.04Å; L227-F236 HydrophobicContact CD2-CZ 4.26Å; L227-F236 HydrophobicContact CG-CE2 4.41Å; L227-R238 HydrophobicContact CD2-CB 3.85Å; L227-M266 HydrophobicContact CD1-SD 3.92Å; L227-I268 HydrophobicContact CD1-CD1 3.73Å; L227-I268 HydrophobicContact CD1-CG1 4.11Å; L227-V277 HydrophobicContact CD1-CG1 4.3Å; L227-V277 HydrophobicContact CD1-CG2 3.98Å; L227-V277 HydrophobicContact CD2-CG2 4.33Å; L227-L285 HydrophobicContact CD2-CD1 4.42Å |
| 228 | N | 98.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 89.1 | -176.5 | 179.4 | -139 | 0 | 0 | 0 | 112.3 | F211 H226 R230 I237 | F211-N228 PolarHBondContact O-ND2 3.17Å; H226-N228 VanDerWaalsContact NE2-CB 3.29Å; H226-N228 WeakPolarHBondContact NE2-CB 3.25Å; N228-R230 PolarHBondContact O-N 2.98Å; N228-R230 PolarHBondContact OD1-NE 2.82Å; N228-R230 PolarHBondContact OD1-NH2 2.77Å; N228-I237 HydrophobicContact CB-CB 4.5Å; N228-I237 PolarHBondContact N-O 2.8Å; N228-I237 PolarHBondContact O-N 2.81Å |
| 229 | P | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 127.2 | 165.3 | -21.9 | 35.9 | 0 | 0 | 0 | 110.9 | S210 F211 M231 F236 F256 F258 | S210-P229 VanDerWaalsContact CA-O 3.29Å; S210-P229 WeakPolarHBondContact CA-O 3.42Å; S210-P229 VanDerWaalsContact CB-O 3.24Å; S210-P229 WeakPolarHBondContact CB-O 3.25Å; F211-P229 HydrophobicContact CD1-CB 4.44Å; F211-P229 HydrophobicContact CD1-CG 4.45Å; F211-P229 HydrophobicContact CD2-CG 4.41Å; F211-P229 HydrophobicContact CE1-CB 4.05Å; F211-P229 HydrophobicContact CE1-CG 3.9Å; F211-P229 HydrophobicContact CE2-CG 3.88Å; F211-P229 HydrophobicContact CZ-CB 4.26Å; F211-P229 HydrophobicContact CZ-CG 3.6Å; F211-P229 PolarHBondContact N-O 2.86Å; F211-P229 VanDerWaalsContact O-CD 3.31Å; F211-P229 WeakPolarHBondContact O-CD 3.2Å; P229-M231 HydrophobicContact CB-CE 4.13Å; P229-M231 HydrophobicContact CB-SD 4.31Å; P229-F236 HydrophobicContact CB-CD2 4.38Å; P229-F236 HydrophobicContact CG-CD2 3.71Å; P229-F236 HydrophobicContact CG-CE1 4.39Å; P229-F236 HydrophobicContact CG-CE2 3.49Å; P229-F236 VanDerWaalsContact CG-CE2 3.49Å; P229-F236 HydrophobicContact CG-CG 4.26Å; P229-F236 HydrophobicContact CG-CZ 3.86Å; P229-F256 HydrophobicContact CB-CE2 4.13Å; P229-F256 HydrophobicContact CB-CZ 4.03Å; P229-F258 HydrophobicContact CB-CD2 3.57Å; P229-F258 HydrophobicContact CB-CE2 3.7Å; P229-F258 HydrophobicContact CB-CG 4.43Å; P229-F258 HydrophobicContact CG-CD2 3.76Å; P229-F258 HydrophobicContact CG-CE2 3.31Å; P229-F258 HydrophobicContact CG-CZ 3.97Å |
| 230 | R | 98.1 | Very high | 97.2 | Very high | 92 Ų | 92 | 35.4 Ų | 35.4 | 35% | 0.347 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 114.5 | 174.4 | -59.7 | -176.3 | -176.2 | 162.6 | 10.2 | 109.7 | N228 A234 V235 I237 E249 | N228-R230 PolarHBondContact O-N 2.98Å; N228-R230 PolarHBondContact OD1-NE 2.82Å; N228-R230 PolarHBondContact OD1-NH2 2.77Å; R230-A234 WeakPolarHBondContact O-CA 3.45Å; R230-A234 PolarHBondContact O-N 2.82Å; R230-V235 HydrophobicContact CB-CG2 3.85Å; R230-V235 HydrophobicContact CG-CG2 4.32Å; R230-V235 PolarHBondContact N-O 2.8Å; R230-V235 PolarHBondContact O-N 2.88Å; R230-I237 VanDerWaalsContact NH1-CD1 3.28Å; R230-E249 IonicContact NH2-OE1 2.89Å |
| 231 | M | 95.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 36 Ų | 36 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -44.8 | -160.6 | -72.5 | 46.8 | -178.4 | 0 | 0 | 111.1 | T204 P208 H209 F211 P229 A233 A234 F256 F258 | T204-M231 HydrophobicContact CG2-CE 4.42Å; P208-M231 HydrophobicContact CB-CE 4.19Å; P208-M231 HydrophobicContact CB-CG 3.9Å; P208-M231 HydrophobicContact CG-CG 3.79Å; P208-M231 VanDerWaalsContact O-CB 3.22Å; P208-M231 WeakPolarHBondContact O-CB 3.29Å; P208-M231 WeakPolarHBondContact O-CG 3.37Å; H209-M231 PolarHBondContact O-N 2.71Å; F211-M231 HydrophobicContact CD1-CE 3.32Å; F211-M231 HydrophobicContact CE1-CE 3.54Å; F211-M231 HydrophobicContact CG-CE 4.5Å; P229-M231 HydrophobicContact CB-CE 4.13Å; P229-M231 HydrophobicContact CB-SD 4.31Å; M231-A233 VanDerWaalsContact C-N 3.31Å; M231-A233 PolarHBondContact O-N 2.93Å; M231-A234 PolarHBondContact O-N 3.1Å; M231-A234 VanDerWaalsContact O-N 3.13Å; M231-F256 HydrophobicContact SD-CZ 4.29Å; M231-F258 HydrophobicContact CE-CB 4.45Å |
| 232 | K | 92.9 | Very high | 97.2 | Very high | 197 Ų | 197 | 31.8 Ų | 31.8 | 86% | 0.857 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -38.8 | -179 | -175.8 | 177.5 | 179.8 | -179.6 | 0 | 112.9 | ||
| 233 | A | 94.4 | Very high | 97 | Very high | 68 Ų | 68 | 35 Ų | 35 | 56% | 0.562 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -7.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M231 V235 | M231-A233 VanDerWaalsContact C-N 3.31Å; M231-A233 PolarHBondContact O-N 2.93Å; A233-V235 HydrophobicContact CB-CG1 4.27Å; A233-V235 HydrophobicContact CB-CG2 3.96Å; A233-V235 PolarHBondContact O-N 2.8Å |
| 234 | A | 95.2 | Very high | 96.6 | Very high | 46 Ų | 46 | 42.3 Ų | 42.3 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | R230 M231 F256 | R230-A234 WeakPolarHBondContact O-CA 3.45Å; R230-A234 PolarHBondContact O-N 2.82Å; M231-A234 PolarHBondContact O-N 3.1Å; M231-A234 VanDerWaalsContact O-N 3.13Å; A234-F256 HydrophobicContact CB-CB 3.97Å; A234-F256 HydrophobicContact CB-CD1 4.16Å; A234-F256 HydrophobicContact CB-CD2 4.41Å; A234-F256 HydrophobicContact CB-CG 3.93Å; A234-F256 WeakPolarHBondContact O-CD2 3.24Å |
| 235 | V | 96.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 45.8 Ų | 45.8 | 22% | 0.224 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.6 | 177.8 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | R230 A233 I237 F256 | R230-V235 HydrophobicContact CB-CG2 3.85Å; R230-V235 HydrophobicContact CG-CG2 4.32Å; R230-V235 PolarHBondContact N-O 2.8Å; R230-V235 PolarHBondContact O-N 2.88Å; A233-V235 HydrophobicContact CB-CG1 4.27Å; A233-V235 HydrophobicContact CB-CG2 3.96Å; A233-V235 PolarHBondContact O-N 2.8Å; V235-I237 HydrophobicContact CG2-CD1 4.03Å; V235-I237 HydrophobicContact CG2-CG1 4.16Å; V235-F256 WeakPolarHBondContact O-CE2 3.29Å |
| 236 | F | 97.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 93.5 | 173.4 | -164.7 | 171.9 | 0 | 0 | 0 | 108.8 | L227 P229 L253 F256 P257 F258 M266 V279 L285 | L227-F236 HydrophobicContact CB-CE2 3.8Å; L227-F236 HydrophobicContact CB-CZ 4.26Å; L227-F236 HydrophobicContact CD1-CZ 4.49Å; L227-F236 HydrophobicContact CD2-CE2 4.04Å; L227-F236 HydrophobicContact CD2-CZ 4.26Å; L227-F236 HydrophobicContact CG-CE2 4.41Å; P229-F236 HydrophobicContact CB-CD2 4.38Å; P229-F236 HydrophobicContact CG-CD2 3.71Å; P229-F236 HydrophobicContact CG-CE1 4.39Å; P229-F236 HydrophobicContact CG-CE2 3.49Å; P229-F236 VanDerWaalsContact CG-CE2 3.49Å; P229-F236 HydrophobicContact CG-CG 4.26Å; P229-F236 HydrophobicContact CG-CZ 3.86Å; F236-L253 HydrophobicContact CB-CD1 4.32Å; F236-F256 HydrophobicContact CB-CD2 4.44Å; F236-F256 HydrophobicContact CB-CE2 4.38Å; F236-P257 HydrophobicContact CD1-CG 4.23Å; F236-F258 AromaticContact CD1-CE2 3.9Å; F236-F258 HydrophobicContact CD1-CE2 3.9Å; F236-F258 AromaticContact CE1-CE2 3.64Å; F236-F258 HydrophobicContact CE1-CE2 3.64Å; F236-F258 HydrophobicContact CE1-CZ 4.06Å; F236-F258 HydrophobicContact CZ-CE2 4.1Å; F236-F258 HydrophobicContact CZ-CZ 4.36Å; F236-M266 HydrophobicContact CE1-CE 4.48Å; F236-M266 HydrophobicContact CZ-CE 3.84Å; F236-V279 HydrophobicContact CE1-CG2 4.35Å; F236-L285 HydrophobicContact CD1-CD2 3.95Å; F236-L285 HydrophobicContact CE1-CD2 4.05Å; F236-L285 HydrophobicContact CG-CD2 4.2Å; F236-L285 HydrophobicContact CZ-CD2 4.39Å |
| 237 | I | 98.3 | Very high | 96 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 139.2 | -177.1 | -68.2 | 162.6 | 0 | 0 | 0 | 109.4 | N228 R230 V235 E249 N251 | N228-I237 HydrophobicContact CB-CB 4.5Å; N228-I237 PolarHBondContact N-O 2.8Å; N228-I237 PolarHBondContact O-N 2.81Å; R230-I237 VanDerWaalsContact NH1-CD1 3.28Å; V235-I237 HydrophobicContact CG2-CD1 4.03Å; V235-I237 HydrophobicContact CG2-CG1 4.16Å; I237-E249 HydrophobicContact CG2-CB 4.26Å; I237-E249 HydrophobicContact CG2-CG 3.97Å; I237-N251 HydrophobicContact CG1-CB 4.23Å |
| 238 | R | 98.6 | Very high | 95.8 | Very high | 16 Ų | 16 | 57 Ų | 57 | 6% | 0.06 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.2 | 167.7 | 65.8 | -157.9 | 133.2 | 142.1 | -7.7 | 111.4 | H226 L227 E250 T252 L285 D286 Y287 | H226-R238 WeakPolarHBondContact O-CA 3.33Å; L227-R238 HydrophobicContact CD2-CB 3.85Å; R238-E250 HydrophobicContact CG-CB 3.64Å; R238-E250 WeakPolarHBondContact CG-O 3.31Å; R238-E250 PolarHBondContact N-O 3.32Å; R238-E250 IonicContact NH1-OE2 3.95Å; R238-E250 PolarHBondContact O-N 3.01Å; R238-T252 PolarHBondContact NH2-O 3.05Å; R238-L285 VanDerWaalsContact CZ-CB 3.45Å; R238-D286 PolarHBondContact NH1-O 3.14Å; R238-Y287 HydrophobicContact CB-CD2 4.17Å; R238-Y287 HydrophobicContact CB-CE2 4.4Å; R238-Y287 HydrophobicContact CG-CD2 3.6Å; R238-Y287 HydrophobicContact CG-CE2 3.99Å; R238-Y287 HydrophobicContact CG-CG 4.47Å |
| 239 | N | 98.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 179.8 | -176.7 | -153.4 | -16.6 | 0 | 0 | 0 | 110.8 | H226 W246 G247 P248 Y287 R290 | H226-N239 WeakPolarHBondContact CB-O 3.32Å; H226-N239 PolarHBondContact N-O 3.45Å; H226-N239 PolarHBondContact O-N 3.07Å; H226-N239 VanDerWaalsContact O-N 3.09Å; N239-W246 HydrophobicContact CB-CE3 3.87Å; N239-W246 HydrophobicContact CB-CZ3 3.97Å; N239-G247 PolarHBondContact ND2-O 3.1Å; N239-G247 WeakPolarHBondContact OD1-CA 3.38Å; N239-G247 PolarHBondContact OD1-N 2.99Å; N239-G247 PolarHBondContact OD1-O 2.83Å; N239-P248 PolarHBondContact OD1-O 3.11Å; N239-P248 VanDerWaalsContact OD1-O 3.1Å; N239-Y287 WeakPolarHBondContact CA-OH 3.11Å; N239-Y287 PolarHBondContact O-OH 2.94Å; N239-R290 PolarHBondContact OD1-NH1 2.9Å |
| 240 | S | 98.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 142.7 | 166.7 | -54.8 | 0 | 0 | 0 | 0 | 108.2 | I223 A224 G247 Y287 | I223-S240 CarbonylContact O-C 3.53Å; I223-S240 VanDerWaalsContact O-CA 3.22Å; I223-S240 WeakPolarHBondContact O-CA 3.35Å; I223-S240 VanDerWaalsContact O-CB 3.28Å; I223-S240 WeakPolarHBondContact O-CB 3.46Å; A224-S240 PolarHBondContact O-OG 2.85Å; S240-G247 PolarHBondContact O-N 3.24Å; S240-Y287 PolarHBondContact N-OH 3.13Å; S240-Y287 PolarHBondContact OG-OH 2.98Å |
| 241 | Y | 97.8 | Very high | 95.7 | Very high | 59 Ų | 59 | 63.5 Ų | 63.5 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 108.8 | 170.2 | -177.3 | -101.2 | 0 | 0 | 0 | 106.8 | E221 D222 I223 E244 C245 W246 | E221-Y241 WeakPolarHBondContact O-CD1 3.49Å; D222-Y241 CarbonylContact C-O 3.54Å; D222-Y241 VanDerWaalsContact CA-O 3.27Å; D222-Y241 WeakPolarHBondContact CA-O 3.43Å; I223-Y241 PolarHBondContact N-O 3.02Å; I223-Y241 PolarHBondContact O-N 2.87Å; Y241-E244 VanDerWaalsContact CE2-C 3.41Å; Y241-E244 WeakPolarHBondContact CE2-O 3.13Å; Y241-E244 VanDerWaalsContact CZ-CA 3.43Å; Y241-E244 WeakPolarHBondContact OH-CA 3.43Å; Y241-E244 PolarHBondContact OH-O 2.98Å; Y241-C245 CarbonylContact C-O 3.59Å; Y241-C245 WeakPolarHBondContact CA-O 3.45Å; Y241-C245 VanDerWaalsContact CD2-C 3.45Å; Y241-W246 AromaticContact CD2-CD1 3.8Å; Y241-W246 AromaticContact CD2-CD2 3.79Å; Y241-W246 HydrophobicContact CD2-CD2 3.79Å; Y241-W246 AromaticContact CD2-CE2 3.77Å; Y241-W246 HydrophobicContact CD2-CE3 4.41Å; Y241-W246 AromaticContact CD2-CG 3.84Å; Y241-W246 HydrophobicContact CD2-CG 3.84Å; Y241-W246 HydrophobicContact CD2-CZ2 4.38Å; Y241-W246 AromaticContact CD2-NE1 3.75Å; Y241-W246 HydrophobicContact CG-CD2 4.45Å |
| 242 | L | 91.4 | Very high | 95.5 | Very high | 43 Ų | 43 | 67.7 Ų | 67.7 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.6 | -172.7 | -58.6 | 175.7 | 0 | 0 | 0 | 109 | D222 E244 C245 R290 V291 | D222-L242 HydrophobicContact CB-CD2 3.99Å; D222-L242 WeakPolarHBondContact OD1-CA 3.1Å; L242-E244 VanDerWaalsContact C-N 3.28Å; L242-E244 PolarHBondContact O-N 2.93Å; L242-C245 PolarHBondContact N-O 3.37Å; L242-C245 PolarHBondContact O-N 2.78Å; L242-C245 PolarHBondContact O-SG 3.34Å; L242-R290 HydrophobicContact CD1-CB 3.94Å; L242-V291 HydrophobicContact CD1-CG2 4.32Å; L242-V291 HydrophobicContact CD2-CG2 3.57Å |
| 243 | S | 91.9 | Very high | 95.3 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 49.3 | 179.5 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | D222 C245 | D222-S243 PolarHBondContact OD1-N 2.88Å; S243-C245 PolarHBondContact O-N 2.98Å; S243-C245 VanDerWaalsContact O-N 3.13Å |
| 244 | E | 90.4 | Very high | 94.7 | Very high | 163 Ų | 163 | 62 Ų | 62 | 76% | 0.762 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 12.9 | 177.1 | -55.2 | -178.7 | 170.8 | 0 | 0 | 115.9 | Y241 L242 | Y241-E244 VanDerWaalsContact CE2-C 3.41Å; Y241-E244 WeakPolarHBondContact CE2-O 3.13Å; Y241-E244 VanDerWaalsContact CZ-CA 3.43Å; Y241-E244 WeakPolarHBondContact OH-CA 3.43Å; Y241-E244 PolarHBondContact OH-O 2.98Å; L242-E244 VanDerWaalsContact C-N 3.28Å; L242-E244 PolarHBondContact O-N 2.93Å |
| 245 | C | 92.4 | Very high | 94.2 | Very high | 74 Ų | 74 | 63.1 Ų | 63.1 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.3 | 179.3 | 73.2 | 0 | 0 | 0 | 0 | 113 | Y241 L242 S243 | Y241-C245 CarbonylContact C-O 3.59Å; Y241-C245 WeakPolarHBondContact CA-O 3.45Å; Y241-C245 VanDerWaalsContact CD2-C 3.45Å; L242-C245 PolarHBondContact N-O 3.37Å; L242-C245 PolarHBondContact O-N 2.78Å; L242-C245 PolarHBondContact O-SG 3.34Å; S243-C245 PolarHBondContact O-N 2.98Å; S243-C245 VanDerWaalsContact O-N 3.13Å |
| 246 | W | 97.9 | Very high | 94.1 | Very high | 127 Ų | 127 | 63.7 Ų | 63.7 | 48% | 0.481 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135.1 | 169.6 | -75.1 | 105.1 | 0 | 0 | 0 | 110 | I223 H226 N239 Y241 | I223-W246 HydrophobicContact CD1-CH2 4.12Å; H226-W246 HydrophobicContact CB-CH2 3.85Å; H226-W246 HydrophobicContact CB-CZ3 3.63Å; H226-W246 AromaticContact CD2-CH2 3.51Å; H226-W246 AromaticContact CD2-CZ3 3.6Å; H226-W246 AromaticContact CG-CH2 3.48Å; H226-W246 VanDerWaalsContact CG-CH2 3.48Å; H226-W246 AromaticContact CG-CZ3 3.65Å; H226-W246 AromaticContact ND1-CH2 3.84Å; H226-W246 AromaticContact NE2-CH2 3.87Å; N239-W246 HydrophobicContact CB-CE3 3.87Å; N239-W246 HydrophobicContact CB-CZ3 3.97Å; Y241-W246 AromaticContact CD2-CD1 3.8Å; Y241-W246 AromaticContact CD2-CD2 3.79Å; Y241-W246 HydrophobicContact CD2-CD2 3.79Å; Y241-W246 AromaticContact CD2-CE2 3.77Å; Y241-W246 HydrophobicContact CD2-CE3 4.41Å; Y241-W246 AromaticContact CD2-CG 3.84Å; Y241-W246 HydrophobicContact CD2-CG 3.84Å; Y241-W246 HydrophobicContact CD2-CZ2 4.38Å; Y241-W246 AromaticContact CD2-NE1 3.75Å; Y241-W246 HydrophobicContact CG-CD2 4.45Å |
| 247 | G | 93.8 | Very high | 93.8 | Very high | 30 Ų | 30 | 64.8 Ų | 64.8 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | trans | -75 | -170.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N239 S240 | N239-G247 PolarHBondContact ND2-O 3.1Å; N239-G247 WeakPolarHBondContact OD1-CA 3.38Å; N239-G247 PolarHBondContact OD1-N 2.99Å; N239-G247 PolarHBondContact OD1-O 2.83Å; S240-G247 PolarHBondContact O-N 3.24Å | ||
| 248 | P | 95.7 | Very high | 93.6 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 63% | 0.63 | 36% | 0.361 | S | S | * | . | trans | -66.4 | 133.1 | 171.3 | 26.1 | -33.1 | 0 | 0 | 0 | 111.1 | N239 R290 | N239-P248 PolarHBondContact OD1-O 3.11Å; N239-P248 VanDerWaalsContact OD1-O 3.1Å; P248-R290 PolarHBondContact O-NH1 2.97Å; P248-R290 VanDerWaalsContact O-NH1 3.13Å; P248-R290 PolarHBondContact O-NH2 2.83Å | ||
| 249 | E | 98.2 | Very high | 93.2 | Very high | 105 Ų | 105 | 67.6 Ų | 67.6 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | trans | -70.1 | 142.7 | 173.2 | -67.4 | -170.8 | 163.8 | 0 | 0 | 111.2 | R230 I237 | R230-E249 IonicContact NH2-OE1 2.89Å; I237-E249 HydrophobicContact CG2-CB 4.26Å; I237-E249 HydrophobicContact CG2-CG 3.97Å | ||
| 250 | E | 98.1 | Very high | 93 | Very high | 60 Ų | 60 | 71.1 Ų | 71.1 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -116.4 | 133.2 | 165.5 | -65.8 | 167.5 | -136.1 | 0 | 0 | 108.1 | R238 Y287 R290 | R238-E250 HydrophobicContact CG-CB 3.64Å; R238-E250 WeakPolarHBondContact CG-O 3.31Å; R238-E250 PolarHBondContact N-O 3.32Å; R238-E250 IonicContact NH1-OE2 3.95Å; R238-E250 PolarHBondContact O-N 3.01Å; E250-Y287 VanDerWaalsContact OE1-CE2 3.32Å; E250-Y287 WeakPolarHBondContact OE1-CE2 3.45Å; E250-R290 IonicContact OE1-CZ 2.76Å; E250-R290 IonicContact OE1-NH2 3.68Å; E250-R290 PolarHBondContact OE1-NH2 2.77Å |
| 251 | N | 96.1 | Very high | 92.3 | Very high | 76 Ų | 76 | 71.5 Ų | 71.5 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | trans | -144 | 8.8 | -175.8 | 63.9 | 8.1 | 0 | 0 | 0 | 113.8 | I237 L253 | I237-N251 HydrophobicContact CG1-CB 4.23Å; N251-L253 WeakPolarHBondContact O-CD2 3.41Å; N251-L253 PolarHBondContact O-N 3.32Å | ||
| 252 | T | 91.8 | Very high | 91.7 | Very high | 112 Ų | 112 | 73 Ų | 73 | 69% | 0.687 | 42% | 0.418 | S | S | * | . | trans | -64 | 130.7 | 173.9 | -49.4 | 0 | 0 | 0 | 0 | 109.6 | R238 | R238-T252 PolarHBondContact NH2-O 3.05Š| ||
| 253 | L | 87.4 | Confident | 91.6 | Very high | 48 Ų | 48 | 74.7 Ų | 74.7 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | trans | -147.7 | 150.8 | 177.4 | 71.6 | 164.2 | 0 | 0 | 0 | 110.6 | F236 N251 S255 F256 | F236-L253 HydrophobicContact CB-CD1 4.32Å; N251-L253 WeakPolarHBondContact O-CD2 3.41Å; N251-L253 PolarHBondContact O-N 3.32Å; L253-S255 VanDerWaalsContact CD1-C 3.41Å; L253-S255 WeakPolarHBondContact CD1-O 3.41Å; L253-F256 VanDerWaalsContact CD1-CA 3.4Å; L253-F256 HydrophobicContact CD1-CB 3.93Å; L253-F256 HydrophobicContact CD1-CD2 4.07Å | ||
| 254 | P | 81.5 | Confident | 91.5 | Very high | 98 Ų | 98 | 70 Ų | 70 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -69 | -40.5 | 173.3 | 26.8 | -32.7 | 0 | 0 | 0 | 112 | Q284 | P254-Q284 VanDerWaalsContact CD-O 3.31Å; P254-Q284 WeakPolarHBondContact CD-O 3.43Å |
| 255 | S | 86 | Confident | 91.6 | Very high | 70 Ų | 70 | 62.6 Ų | 62.6 | 49% | 0.49 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -162.8 | 145.9 | 178.4 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | L253 P257 Q284 | L253-S255 VanDerWaalsContact CD1-C 3.41Å; L253-S255 WeakPolarHBondContact CD1-O 3.41Å; S255-P257 WeakPolarHBondContact O-CD 3.08Å; S255-Q284 PolarHBondContact O-OE1 3.14Å |
| 256 | F | 94.5 | Very high | 91.7 | Very high | 49 Ų | 49 | 59 Ų | 59 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | trans | -71.3 | 120.5 | 178.8 | -170.6 | -106.4 | 0 | 0 | 0 | 111.3 | P229 M231 A234 V235 F236 L253 F258 | P229-F256 HydrophobicContact CB-CE2 4.13Å; P229-F256 HydrophobicContact CB-CZ 4.03Å; M231-F256 HydrophobicContact SD-CZ 4.29Å; A234-F256 HydrophobicContact CB-CB 3.97Å; A234-F256 HydrophobicContact CB-CD1 4.16Å; A234-F256 HydrophobicContact CB-CD2 4.41Å; A234-F256 HydrophobicContact CB-CG 3.93Å; A234-F256 WeakPolarHBondContact O-CD2 3.24Å; V235-F256 WeakPolarHBondContact O-CE2 3.29Å; F236-F256 HydrophobicContact CB-CD2 4.44Å; F236-F256 HydrophobicContact CB-CE2 4.38Å; L253-F256 VanDerWaalsContact CD1-CA 3.4Å; L253-F256 HydrophobicContact CD1-CB 3.93Å; L253-F256 HydrophobicContact CD1-CD2 4.07Å; F256-F258 WeakPolarHBondContact CD1-O 3.34Å; F256-F258 HydrophobicContact CE1-CB 3.83Å; F256-F258 HydrophobicContact CE1-CD2 4.42Å; F256-F258 VanDerWaalsContact CE1-O 3.3Å; F256-F258 WeakPolarHBondContact CE1-O 3.43Å; F256-F258 HydrophobicContact CE2-CD2 4.26Å; F256-F258 HydrophobicContact CZ-CB 4.13Å; F256-F258 HydrophobicContact CZ-CD2 4.02Å | ||
| 257 | P | 91.4 | Very high | 91.5 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 16% | 0.156 | 31% | 0.309 | C | S | . | . | trans | -96.1 | 7.2 | -164.1 | 37.6 | -37.3 | 0 | 0 | 0 | 114.8 | F236 S255 V279 Q284 | F236-P257 HydrophobicContact CD1-CG 4.23Å; S255-P257 WeakPolarHBondContact O-CD 3.08Å; P257-V279 HydrophobicContact CB-CB 3.86Å; P257-V279 HydrophobicContact CB-CG1 3.87Å; P257-V279 HydrophobicContact CB-CG2 4.4Å; P257-V279 HydrophobicContact CG-CB 4.05Å; P257-V279 HydrophobicContact CG-CG1 4.22Å; P257-V279 HydrophobicContact CG-CG2 4.02Å; P257-Q284 HydrophobicContact CB-CG 4.27Å; P257-Q284 HydrophobicContact CG-CG 4.05Å | ||
| 258 | F | 94.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 4% | 0.044 | 29% | 0.294 | C | S | . | . | trans | -117.5 | 143.5 | -177.5 | -55.8 | -76.2 | 0 | 0 | 0 | 111.6 | T204 F211 P229 M231 F236 F256 F264 M266 V279 | T204-F258 HydrophobicContact CG2-CB 4.47Å; F211-F258 AromaticContact CE1-CD1 3.97Å; F211-F258 HydrophobicContact CE1-CD1 3.97Å; F211-F258 HydrophobicContact CE1-CD2 4.5Å; F211-F258 HydrophobicContact CE1-CE1 4.11Å; F211-F258 HydrophobicContact CE1-CG 4.18Å; F211-F258 HydrophobicContact CE1-CZ 4.43Å; F211-F258 AromaticContact CZ-CD1 3.95Å; F211-F258 HydrophobicContact CZ-CD1 3.95Å; F211-F258 AromaticContact CZ-CE1 3.6Å; F211-F258 HydrophobicContact CZ-CE1 3.6Å; F211-F258 HydrophobicContact CZ-CE2 4.2Å; F211-F258 HydrophobicContact CZ-CG 4.4Å; F211-F258 AromaticContact CZ-CZ 3.74Å; F211-F258 HydrophobicContact CZ-CZ 3.74Å; P229-F258 HydrophobicContact CB-CD2 3.57Å; P229-F258 HydrophobicContact CB-CE2 3.7Å; P229-F258 HydrophobicContact CB-CG 4.43Å; P229-F258 HydrophobicContact CG-CD2 3.76Å; P229-F258 HydrophobicContact CG-CE2 3.31Å; P229-F258 HydrophobicContact CG-CZ 3.97Å; M231-F258 HydrophobicContact CE-CB 4.45Å; F236-F258 AromaticContact CD1-CE2 3.9Å; F236-F258 HydrophobicContact CD1-CE2 3.9Å; F236-F258 AromaticContact CE1-CE2 3.64Å; F236-F258 HydrophobicContact CE1-CE2 3.64Å; F236-F258 HydrophobicContact CE1-CZ 4.06Å; F236-F258 HydrophobicContact CZ-CE2 4.1Å; F236-F258 HydrophobicContact CZ-CZ 4.36Å; F256-F258 WeakPolarHBondContact CD1-O 3.34Å; F256-F258 HydrophobicContact CE1-CB 3.83Å; F256-F258 HydrophobicContact CE1-CD2 4.42Å; F256-F258 VanDerWaalsContact CE1-O 3.3Å; F256-F258 WeakPolarHBondContact CE1-O 3.43Å; F256-F258 HydrophobicContact CE2-CD2 4.26Å; F256-F258 HydrophobicContact CZ-CB 4.13Å; F256-F258 HydrophobicContact CZ-CD2 4.02Å; F258-F264 HydrophobicContact CD1-CB 4.09Å; F258-F264 HydrophobicContact CD1-CD1 4.29Å; F258-F264 HydrophobicContact CD1-CG 4.05Å; F258-F264 HydrophobicContact CE1-CB 4.01Å; F258-F264 HydrophobicContact CE1-CD1 4.35Å; F258-F264 AromaticContact CE1-CD2 3.83Å; F258-F264 HydrophobicContact CE1-CD2 3.83Å; F258-F264 HydrophobicContact CE1-CE2 4.42Å; F258-F264 AromaticContact CE1-CG 3.8Å; F258-F264 HydrophobicContact CE1-CG 3.8Å; F258-M266 HydrophobicContact CE1-CE 4.28Å; F258-M266 HydrophobicContact CZ-CE 3.6Å; F258-V279 HydrophobicContact CD1-CG1 4.4Å; F258-V279 HydrophobicContact CE1-CG1 3.74Å; F258-V279 HydrophobicContact CE1-CG2 4.2Å; F258-V279 HydrophobicContact CE2-CG2 4.38Å; F258-V279 HydrophobicContact CZ-CB 4.46Å; F258-V279 HydrophobicContact CZ-CG1 4Å; F258-V279 HydrophobicContact CZ-CG2 3.64Å | ||
| 259 | S | 90.6 | Very high | 91.6 | Very high | 68 Ų | 68 | 49.1 Ų | 49.1 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | trans | -134.2 | 145.4 | 176.6 | -71.7 | 0 | 0 | 0 | 0 | 110.5 | T204 G261 E262 | T204-S259 PolarHBondContact OG1-O 3.06Å; S259-G261 PolarHBondContact O-N 3.46Å; S259-E262 WeakPolarHBondContact O-CB 3.13Å; S259-E262 PolarHBondContact O-N 3.4Å | ||
| 260 | P | 93.9 | Very high | 91.4 | Very high | 77 Ų | 77 | 44.2 Ų | 44.2 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 132.8 | 178.8 | -27 | 35.8 | 0 | 0 | 0 | 113.5 | T204 L206 P208 E262 | T204-P260 WeakPolarHBondContact OG1-CA 3.3Å; L206-P260 WeakPolarHBondContact O-CB 3.48Å; P208-P260 HydrophobicContact CG-CB 4.07Å; P208-P260 HydrophobicContact CG-CG 4.2Å; P260-E262 PolarHBondContact O-N 2.85Å |
| 261 | G | 83.9 | Confident | 91 | Very high | 11 Ų | 11 | 44 Ų | 44 | 11% | 0.113 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | -3.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q203 T204 S205 S259 | Q203-G261 WeakPolarHBondContact CG-O 3.25Å; Q203-G261 PolarHBondContact NE2-O 2.68Å; T204-G261 WeakPolarHBondContact O-CA 3.22Å; T204-G261 PolarHBondContact O-N 3.13Å; T204-G261 PolarHBondContact OG1-N 3.38Å; S205-G261 PolarHBondContact O-N 2.99Å; S259-G261 PolarHBondContact O-N 3.46Å |
| 262 | E | 84.1 | Confident | 90.7 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 43% | 0.425 | 25% | 0.252 | S | S | . | . | trans | -90.7 | 148.9 | -174 | -67.4 | -62.6 | 145.5 | 0 | 0 | 112.6 | Q203 T204 S259 P260 | Q203-E262 WeakPolarHBondContact CA-O 3.27Å; T204-E262 PolarHBondContact N-O 3.33Å; T204-E262 PolarHBondContact OG1-N 3.02Å; S259-E262 WeakPolarHBondContact O-CB 3.13Å; S259-E262 PolarHBondContact O-N 3.4Å; P260-E262 PolarHBondContact O-N 2.85Å | ||
| 263 | Y | 89.1 | Confident | 90.7 | Very high | 78 Ų | 78 | 44.5 Ų | 44.5 | 31% | 0.306 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 146.6 | 170 | 170.8 | -91.1 | 0 | 0 | 0 | 110.9 | K201 G202 E265 L309 | K201-Y263 HydrophobicContact CB-CE2 4.18Å; K201-Y263 WeakPolarHBondContact CD-OH 3.33Å; G202-Y263 CarbonylContact O-C 3.56Å; G202-Y263 WeakPolarHBondContact O-CA 3.31Å; G202-Y263 WeakPolarHBondContact O-CD2 3.21Å; Y263-E265 HydrophobicContact CE1-CB 4.2Å; Y263-L309 HydrophobicContact CD2-CD1 3.82Å; Y263-L309 HydrophobicContact CE2-CD1 4.06Å |
| 264 | F | 90.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 148.6 | 167 | 72.5 | -89.3 | 0 | 0 | 0 | 111.9 | I200 K201 G202 T204 F211 F258 M266 V279 N280 L306 | I200-F264 HydrophobicContact CG2-CE2 4.23Å; K201-F264 WeakPolarHBondContact CA-O 3.23Å; G202-F264 PolarHBondContact N-O 3.26Å; G202-F264 WeakPolarHBondContact O-CD1 3.36Å; G202-F264 PolarHBondContact O-N 2.68Å; T204-F264 HydrophobicContact CG2-CD1 4.01Å; T204-F264 HydrophobicContact CG2-CE1 4.23Å; F211-F264 HydrophobicContact CE1-CE1 4.46Å; F211-F264 HydrophobicContact CE2-CZ 4.32Å; F211-F264 HydrophobicContact CZ-CE1 4.31Å; F211-F264 HydrophobicContact CZ-CE2 4.34Å; F211-F264 HydrophobicContact CZ-CZ 4.03Å; F258-F264 HydrophobicContact CD1-CB 4.09Å; F258-F264 HydrophobicContact CD1-CD1 4.29Å; F258-F264 HydrophobicContact CD1-CG 4.05Å; F258-F264 HydrophobicContact CE1-CB 4.01Å; F258-F264 HydrophobicContact CE1-CD1 4.35Å; F258-F264 AromaticContact CE1-CD2 3.83Å; F258-F264 HydrophobicContact CE1-CD2 3.83Å; F258-F264 HydrophobicContact CE1-CE2 4.42Å; F258-F264 AromaticContact CE1-CG 3.8Å; F258-F264 HydrophobicContact CE1-CG 3.8Å; F264-M266 HydrophobicContact CD2-CB 4.07Å; F264-M266 HydrophobicContact CE2-CB 4.11Å; F264-V279 HydrophobicContact CB-CG1 4.33Å; F264-N280 WeakPolarHBondContact CA-OD1 3.33Å; F264-L306 HydrophobicContact CE1-CB 4.41Å; F264-L306 HydrophobicContact CE1-CD2 4.36Å; F264-L306 HydrophobicContact CZ-CD2 4.05Å |
| 265 | E | 91.7 | Very high | 92 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 113.9 | 162 | -177.7 | -178.6 | 80 | 0 | 0 | 107.9 | T20 T199 K201 Y263 I267 V279 N280 | T20-E265 WeakPolarHBondContact CB-OE1 3.48Å; T20-E265 PolarHBondContact N-OE1 2.69Å; T20-E265 PolarHBondContact OG1-OE1 2.89Å; T199-E265 HydrophobicContact CG2-CG 3.96Å; K201-E265 WeakPolarHBondContact CE-OE2 3.29Å; K201-E265 HydrophobicContact CG-CG 4.25Å; K201-E265 IonicContact NZ-OE2 3.85Å; K201-E265 PolarHBondContact NZ-OE2 2.89Å; Y263-E265 HydrophobicContact CE1-CB 4.2Å; E265-I267 HydrophobicContact CG-CG1 4.32Å; E265-V279 CarbonylContact O-C 3.56Å; E265-V279 VanDerWaalsContact O-CA 3.28Å; E265-V279 WeakPolarHBondContact O-CA 3.47Å; E265-N280 PolarHBondContact N-OD1 2.98Å; E265-N280 PolarHBondContact O-N 3.28Å |
| 266 | M | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 134 | 171.9 | 178.7 | -173.3 | -65.9 | 0 | 0 | 109.1 | T199 I200 F211 V213 L227 F236 F258 F264 I268 V277 A278 V279 | T199-M266 CarbonylContact C-O 3.31Å; T199-M266 WeakPolarHBondContact CA-O 3.15Å; I200-M266 HydrophobicContact CB-CB 4.39Å; I200-M266 HydrophobicContact CD1-SD 4.37Å; I200-M266 PolarHBondContact N-O 2.78Å; I200-M266 PolarHBondContact O-N 3.26Å; F211-M266 HydrophobicContact CE2-CE 3.95Å; F211-M266 HydrophobicContact CZ-CE 4.15Å; V213-M266 HydrophobicContact CB-SD 4.47Å; V213-M266 HydrophobicContact CG2-CE 4.36Å; V213-M266 HydrophobicContact CG2-SD 4.04Å; L227-M266 HydrophobicContact CD1-SD 3.92Å; F236-M266 HydrophobicContact CE1-CE 4.48Å; F236-M266 HydrophobicContact CZ-CE 3.84Å; F258-M266 HydrophobicContact CE1-CE 4.28Å; F258-M266 HydrophobicContact CZ-CE 3.6Å; F264-M266 HydrophobicContact CD2-CB 4.07Å; F264-M266 HydrophobicContact CE2-CB 4.11Å; M266-I268 HydrophobicContact CG-CG1 4.43Å; M266-I268 HydrophobicContact SD-CD1 4.38Å; M266-I268 HydrophobicContact SD-CG1 4.37Å; M266-V277 HydrophobicContact CG-CG1 3.98Å; M266-V277 HydrophobicContact SD-CG1 4.42Å; M266-A278 CarbonylContact C-O 3.47Å; M266-A278 WeakPolarHBondContact CA-O 3.45Å; M266-V279 HydrophobicContact CB-CG2 4.44Å; M266-V279 HydrophobicContact CG-CG2 4.36Å |
| 267 | I | 92.9 | Very high | 92.6 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.2 | 173.4 | -60.4 | 175.2 | 0 | 0 | 0 | 109.5 | T20 L22 T197 I198 T199 E265 V277 A278 | T20-I267 VanDerWaalsContact CB-CD1 3.5Å; T20-I267 HydrophobicContact CG2-CD1 4.02Å; L22-I267 HydrophobicContact CD2-CD1 3.82Å; L22-I267 HydrophobicContact CD2-CG2 3.85Å; T197-I267 HydrophobicContact CG2-CG2 3.3Å; I198-I267 CarbonylContact O-C 3.57Å; I198-I267 WeakPolarHBondContact O-CA 3.38Å; T199-I267 HydrophobicContact CG2-CG1 4.18Å; E265-I267 HydrophobicContact CG-CG1 4.32Å; I267-V277 VanDerWaalsContact O-CA 3.25Å; I267-V277 WeakPolarHBondContact O-CA 3.35Å; I267-A278 PolarHBondContact N-O 3.45Å; I267-A278 PolarHBondContact O-N 2.96Å |
| 268 | I | 97.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 107.7 | 172.7 | -50.3 | 171.7 | 0 | 0 | 0 | 107.5 | T197 I198 I200 V213 L215 L225 L227 M266 F275 K276 V277 | T197-I268 WeakPolarHBondContact CA-O 3.42Å; I198-I268 HydrophobicContact CB-CB 4.34Å; I198-I268 PolarHBondContact N-O 3.2Å; I198-I268 PolarHBondContact O-N 3.39Å; I200-I268 HydrophobicContact CD1-CD1 4.41Å; V213-I268 HydrophobicContact CG1-CD1 3.9Å; L215-I268 HydrophobicContact CD1-CG2 4.15Å; L225-I268 HydrophobicContact CD2-CD1 4.5Å; L225-I268 HydrophobicContact CD2-CG2 3.93Å; L227-I268 HydrophobicContact CD1-CD1 3.73Å; L227-I268 HydrophobicContact CD1-CG1 4.11Å; M266-I268 HydrophobicContact CG-CG1 4.43Å; M266-I268 HydrophobicContact SD-CD1 4.38Å; M266-I268 HydrophobicContact SD-CG1 4.37Å; I268-F275 HydrophobicContact CG2-CB 4.27Å; I268-F275 HydrophobicContact CG2-CD1 3.92Å; I268-F275 HydrophobicContact CG2-CG 4.35Å; I268-K276 WeakPolarHBondContact CA-O 3.29Å; I268-V277 HydrophobicContact CG1-CG2 4.27Å; I268-V277 HydrophobicContact CG2-CG2 4.35Å |
| 269 | L | 93.9 | Very high | 92.1 | Very high | 38 Ų | 38 | 35.8 Ų | 35.8 | 20% | 0.199 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.9 | 175.1 | 172.7 | 65.5 | 0 | 0 | 0 | 109.7 | T197 E271 F275 K276 | T197-L269 WeakPolarHBondContact OG1-CD1 3.28Å; L269-E271 HydrophobicContact CD2-CG 4.12Å; L269-E271 HydrophobicContact CG-CG 4.19Å; L269-F275 CarbonylContact O-C 3.48Å; L269-F275 VanDerWaalsContact O-CA 3.29Å; L269-F275 WeakPolarHBondContact O-CA 3.45Å; L269-K276 HydrophobicContact CB-CB 4.31Å; L269-K276 PolarHBondContact N-O 2.8Å; L269-K276 PolarHBondContact O-N 3.3Å |
| 270 | C | 93.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 106.3 | 174.8 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | G195 H196 F275 L294 | G195-C270 PolarHBondContact N-O 2.84Å; H196-C270 HydrophobicContact CB-CB 4.45Å; H196-C270 WeakPolarHBondContact O-CB 3.22Å; H196-C270 PolarHBondContact O-N 3.09Å; C270-F275 HydrophobicContact CB-CD1 4.25Å; C270-F275 HydrophobicContact CB-CE1 4.07Å; C270-L294 VanDerWaalsContact SG-CD1 3.55Å |
| 271 | E | 91.1 | Very high | 90.5 | Very high | 57 Ų | 57 | 30.3 Ų | 30.3 | 27% | 0.266 | 16% | 0.155 | S | C | . | . | trans | -95.5 | 177.1 | 171.9 | -63.4 | -172.3 | 149.7 | 0 | 0 | 111.3 | L269 H273 Q274 K276 H289 | L269-E271 HydrophobicContact CD2-CG 4.12Å; L269-E271 HydrophobicContact CG-CG 4.19Å; E271-H273 PolarHBondContact O-N 2.85Å; E271-Q274 WeakPolarHBondContact CA-O 3.31Å; E271-Q274 HydrophobicContact CB-CG 4.41Å; E271-Q274 WeakPolarHBondContact CB-O 3.13Å; E271-Q274 PolarHBondContact N-O 2.89Å; E271-Q274 PolarHBondContact OE2-NE2 2.83Å; E271-K276 VanDerWaalsContact CD-CE 3.44Å; E271-K276 VanDerWaalsContact CD-NZ 3.31Å; E271-K276 HydrophobicContact CG-CG 4.36Å; E271-K276 WeakPolarHBondContact OE1-CD 3.38Å; E271-K276 VanDerWaalsContact OE1-CE 3.3Å; E271-K276 WeakPolarHBondContact OE1-CE 3.41Å; E271-K276 IonicContact OE1-NZ 3.3Å; E271-K276 PolarHBondContact OE1-NZ 3.15Å; E271-K276 WeakPolarHBondContact OE2-CE 3.37Å; E271-K276 IonicContact OE2-NZ 2.79Å; E271-K276 PolarHBondContact OE2-NZ 2.85Å; E271-K276 VanDerWaalsContact OE2-NZ 3.14Å; E271-H289 PolarHBondContact O-NE2 2.85Å | ||
| 272 | A | 89.1 | Confident | 89.8 | Confident | 52 Ų | 52 | 32.4 Ų | 32.4 | 43% | 0.43 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -60 | -29.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V194 | V194-A272 HydrophobicContact CG1-CB 4.37Å; V194-A272 HydrophobicContact CG2-CB 4.31Å |
| 273 | H | 91.8 | Very high | 89.8 | Confident | 146 Ų | 146 | 32.4 Ų | 32.4 | 68% | 0.676 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -129.5 | -7.9 | -172 | -57.2 | -50.5 | 0 | 0 | 0 | 114.3 | E271 H289 | E271-H273 PolarHBondContact O-N 2.85Å; H273-H289 PolarHBondContact O-N 3.25Å |
| 274 | Q | 97.1 | Very high | 90 | Very high | 34 Ų | 34 | 29.2 Ų | 29.2 | 16% | 0.159 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 162.4 | -175 | 60.5 | -176.2 | 22.6 | 0 | 0 | 112 | E271 K276 D286 Y287 H289 | E271-Q274 WeakPolarHBondContact CA-O 3.31Å; E271-Q274 HydrophobicContact CB-CG 4.41Å; E271-Q274 WeakPolarHBondContact CB-O 3.13Å; E271-Q274 PolarHBondContact N-O 2.89Å; E271-Q274 PolarHBondContact OE2-NE2 2.83Å; Q274-K276 VanDerWaalsContact NE2-CE 3.34Å; Q274-D286 VanDerWaalsContact NE2-CG 3.34Å; Q274-D286 PolarHBondContact NE2-OD2 3.06Å; Q274-Y287 CarbonylContact C-O 3.56Å; Q274-Y287 WeakPolarHBondContact CA-O 3.48Å; Q274-Y287 VanDerWaalsContact CB-O 3.3Å; Q274-Y287 WeakPolarHBondContact CB-O 3.35Å; Q274-H289 PolarHBondContact N-CD2 2.91Å; Q274-H289 VanDerWaalsContact N-CD2 3.31Å; Q274-H289 PolarHBondContact N-NE2 2.83Å; Q274-H289 PolarHBondContact O-CE1 2.77Å; Q274-H289 VanDerWaalsContact O-CE1 3.28Å; Q274-H289 PolarHBondContact O-NE2 3.37Å |
| 275 | F | 98.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 139.8 | 160.6 | -63 | -73.2 | 0 | 0 | 0 | 109.9 | L192 L215 L225 I268 L269 C270 D286 Y287 H289 L294 I297 | L192-F275 HydrophobicContact CD1-CE1 3.98Å; L192-F275 HydrophobicContact CD1-CZ 4.36Å; L215-F275 HydrophobicContact CD1-CD1 4.39Å; L215-F275 HydrophobicContact CD1-CE1 3.94Å; L215-F275 HydrophobicContact CD1-CZ 4.13Å; L225-F275 HydrophobicContact CB-CD2 4.17Å; L225-F275 HydrophobicContact CB-CE2 4.09Å; L225-F275 HydrophobicContact CD1-CD2 4.46Å; L225-F275 HydrophobicContact CD2-CB 4.15Å; L225-F275 HydrophobicContact CD2-CD1 4.49Å; L225-F275 HydrophobicContact CD2-CD2 3.96Å; L225-F275 HydrophobicContact CD2-CG 3.94Å; L225-F275 HydrophobicContact CG-CD2 4.43Å; I268-F275 HydrophobicContact CG2-CB 4.27Å; I268-F275 HydrophobicContact CG2-CD1 3.92Å; I268-F275 HydrophobicContact CG2-CG 4.35Å; L269-F275 CarbonylContact O-C 3.48Å; L269-F275 VanDerWaalsContact O-CA 3.29Å; L269-F275 WeakPolarHBondContact O-CA 3.45Å; C270-F275 HydrophobicContact CB-CD1 4.25Å; C270-F275 HydrophobicContact CB-CE1 4.07Å; F275-D286 CarbonylContact O-C 3.57Å; F275-D286 WeakPolarHBondContact O-CA 3.42Å; F275-Y287 HydrophobicContact CD2-CD1 4.25Å; F275-Y287 PolarHBondContact N-O 3.13Å; F275-Y287 PolarHBondContact O-N 3.13Å; F275-H289 AromaticContact CD1-CE1 3.9Å; F275-H289 AromaticContact CD2-CE1 3.59Å; F275-H289 AromaticContact CD2-ND1 3.42Å; F275-H289 WeakPolarHBondContact CD2-ND1 3.46Å; F275-H289 AromaticContact CE1-CE1 3.81Å; F275-H289 AromaticContact CE2-CE1 3.51Å; F275-H289 AromaticContact CE2-ND1 3.25Å; F275-H289 WeakPolarHBondContact CE2-ND1 3.39Å; F275-H289 AromaticContact CG-CE1 3.79Å; F275-H289 AromaticContact CZ-CE1 3.61Å; F275-H289 AromaticContact CZ-ND1 3.76Å; F275-H289 PolarHBondContact N-CE1 3.02Å; F275-L294 HydrophobicContact CZ-CD2 4.29Å; F275-I297 HydrophobicContact CZ-CD1 3.81Å |
| 276 | K | 96.8 | Very high | 90.5 | Very high | 65 Ų | 65 | 31.9 Ų | 31.9 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 133.1 | 164.5 | -61.1 | -163.4 | 162.9 | 147 | 0 | 109.3 | I268 L269 E271 Q274 D286 | I268-K276 WeakPolarHBondContact CA-O 3.29Å; L269-K276 HydrophobicContact CB-CB 4.31Å; L269-K276 PolarHBondContact N-O 2.8Å; L269-K276 PolarHBondContact O-N 3.3Å; E271-K276 VanDerWaalsContact CD-CE 3.44Å; E271-K276 VanDerWaalsContact CD-NZ 3.31Å; E271-K276 HydrophobicContact CG-CG 4.36Å; E271-K276 WeakPolarHBondContact OE1-CD 3.38Å; E271-K276 VanDerWaalsContact OE1-CE 3.3Å; E271-K276 WeakPolarHBondContact OE1-CE 3.41Å; E271-K276 IonicContact OE1-NZ 3.3Å; E271-K276 PolarHBondContact OE1-NZ 3.15Å; E271-K276 WeakPolarHBondContact OE2-CE 3.37Å; E271-K276 IonicContact OE2-NZ 2.79Å; E271-K276 PolarHBondContact OE2-NZ 2.85Å; E271-K276 VanDerWaalsContact OE2-NZ 3.14Å; Q274-K276 VanDerWaalsContact NE2-CE 3.34Å; K276-D286 WeakPolarHBondContact CG-OD1 3.16Å |
| 277 | V | 96.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.9 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | L227 M266 I267 I268 Q284 L285 | L227-V277 HydrophobicContact CD1-CG1 4.3Å; L227-V277 HydrophobicContact CD1-CG2 3.98Å; L227-V277 HydrophobicContact CD2-CG2 4.33Å; M266-V277 HydrophobicContact CG-CG1 3.98Å; M266-V277 HydrophobicContact SD-CG1 4.42Å; I267-V277 VanDerWaalsContact O-CA 3.25Å; I267-V277 WeakPolarHBondContact O-CA 3.35Å; I268-V277 HydrophobicContact CG1-CG2 4.27Å; I268-V277 HydrophobicContact CG2-CG2 4.35Å; V277-Q284 PolarHBondContact O-N 2.83Å; V277-L285 HydrophobicContact CB-CD1 3.58Å; V277-L285 HydrophobicContact CB-CG 3.85Å; V277-L285 HydrophobicContact CG2-CD1 3.5Å; V277-L285 VanDerWaalsContact CG2-CD1 3.5Å; V277-L285 HydrophobicContact CG2-CG 4.32Å; V277-L285 PolarHBondContact N-O 3.27Å; V277-L285 PolarHBondContact O-N 3Å |
| 278 | A | 87.9 | Confident | 90.8 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 10% | 0.099 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T20 M266 I267 V282 | T20-A278 HydrophobicContact CG2-CB 4.45Å; M266-A278 CarbonylContact C-O 3.47Å; M266-A278 WeakPolarHBondContact CA-O 3.45Å; I267-A278 PolarHBondContact N-O 3.45Å; I267-A278 PolarHBondContact O-N 2.96Å; A278-V282 WeakPolarHBondContact CA-O 3.31Å |
| 279 | V | 87.5 | Confident | 90.8 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 125.8 | 172 | -179.9 | 0 | 0 | 0 | 0 | 107 | F236 P257 F258 F264 E265 M266 G281 V282 Q284 | F236-V279 HydrophobicContact CE1-CG2 4.35Å; P257-V279 HydrophobicContact CB-CB 3.86Å; P257-V279 HydrophobicContact CB-CG1 3.87Å; P257-V279 HydrophobicContact CB-CG2 4.4Å; P257-V279 HydrophobicContact CG-CB 4.05Å; P257-V279 HydrophobicContact CG-CG1 4.22Å; P257-V279 HydrophobicContact CG-CG2 4.02Å; F258-V279 HydrophobicContact CD1-CG1 4.4Å; F258-V279 HydrophobicContact CE1-CG1 3.74Å; F258-V279 HydrophobicContact CE1-CG2 4.2Å; F258-V279 HydrophobicContact CE2-CG2 4.38Å; F258-V279 HydrophobicContact CZ-CB 4.46Å; F258-V279 HydrophobicContact CZ-CG1 4Å; F258-V279 HydrophobicContact CZ-CG2 3.64Å; F264-V279 HydrophobicContact CB-CG1 4.33Å; E265-V279 CarbonylContact O-C 3.56Å; E265-V279 VanDerWaalsContact O-CA 3.28Å; E265-V279 WeakPolarHBondContact O-CA 3.47Å; M266-V279 HydrophobicContact CB-CG2 4.44Å; M266-V279 HydrophobicContact CG-CG2 4.36Å; V279-G281 PolarHBondContact O-N 2.71Å; V279-V282 PolarHBondContact N-O 3.29Å; V279-V282 PolarHBondContact O-N 2.61Å; V279-V282 VanDerWaalsContact O-N 3.07Å; V279-Q284 HydrophobicContact CB-CG 3.9Å; V279-Q284 HydrophobicContact CG2-CG 3.85Å |
| 280 | N | 80.8 | Confident | 91 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 45 | 171.8 | -79.1 | -13.7 | 0 | 0 | 0 | 113.8 | N52 F264 E265 V282 | N52-N280 WeakPolarHBondContact ND2-CA 3.29Å; N52-N280 WeakPolarHBondContact ND2-CB 3.29Å; N52-N280 PolarHBondContact ND2-OD1 2.81Å; N52-N280 WeakPolarHBondContact OD1-CB 3.09Å; N52-N280 PolarHBondContact OD1-ND2 2.89Å; F264-N280 WeakPolarHBondContact CA-OD1 3.33Å; E265-N280 PolarHBondContact N-OD1 2.98Å; E265-N280 PolarHBondContact O-N 3.28Å; N280-V282 PolarHBondContact O-N 2.79Å |
| 281 | G | 69.9 | Low | 91.1 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -36.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T20 D134 T135 V279 | T20-G281 VanDerWaalsContact OG1-CA 3.31Å; T20-G281 WeakPolarHBondContact OG1-CA 3.36Å; T20-G281 PolarHBondContact OG1-N 3Å; D134-G281 WeakPolarHBondContact CB-O 3.24Å; T135-G281 WeakPolarHBondContact OG1-CA 3.38Å; V279-G281 PolarHBondContact O-N 2.71Å |
| 282 | V | 69.8 | Low | 91.3 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 34% | 0.339 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.7 | -165.2 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | D134 A278 V279 N280 Q284 | D134-V282 VanDerWaalsContact OD2-CG2 3.32Å; D134-V282 WeakPolarHBondContact OD2-CG2 3.47Å; D134-V282 PolarHBondContact OD2-N 2.97Å; A278-V282 WeakPolarHBondContact CA-O 3.31Å; V279-V282 PolarHBondContact N-O 3.29Å; V279-V282 PolarHBondContact O-N 2.61Å; V279-V282 VanDerWaalsContact O-N 3.07Å; N280-V282 PolarHBondContact O-N 2.79Å; V282-Q284 WeakPolarHBondContact O-CG 3.37Å; V282-Q284 PolarHBondContact O-N 3.01Å; V282-Q284 PolarHBondContact O-NE2 3.01Å |
| 283 | H | 84.8 | Confident | 91.6 | Very high | 91 Ų | 91 | 46.8 Ų | 46.8 | 42% | 0.421 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 129.1 | 170.3 | 177.6 | 71.7 | 0 | 0 | 0 | 111 | L285 D286 | H283-L285 VanDerWaalsContact CE1-C 3.41Å; H283-L285 PolarHBondContact CE1-O 3.12Å; H283-D286 IonicContact CE1-OD1 2.69Å; H283-D286 PolarHBondContact CE1-OD1 3.24Å; H283-D286 IonicContact NE2-OD1 3.86Å; H283-D286 PolarHBondContact NE2-OD1 3.18Å |
| 284 | Q | 92.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -45 | -176.8 | -60.1 | -56.5 | -39.3 | 0 | 0 | 112.1 | P254 S255 P257 V277 V279 V282 | P254-Q284 VanDerWaalsContact CD-O 3.31Å; P254-Q284 WeakPolarHBondContact CD-O 3.43Å; S255-Q284 PolarHBondContact O-OE1 3.14Å; P257-Q284 HydrophobicContact CB-CG 4.27Å; P257-Q284 HydrophobicContact CG-CG 4.05Å; V277-Q284 PolarHBondContact O-N 2.83Å; V279-Q284 HydrophobicContact CB-CG 3.9Å; V279-Q284 HydrophobicContact CG2-CG 3.85Å; V282-Q284 WeakPolarHBondContact O-CG 3.37Å; V282-Q284 PolarHBondContact O-N 3.01Å; V282-Q284 PolarHBondContact O-NE2 3.01Å |
| 285 | L | 95.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 153.2 | -168.4 | 63.2 | 81.4 | 0 | 0 | 0 | 114.7 | L227 F236 R238 V277 H283 | L227-L285 HydrophobicContact CD2-CD1 4.42Å; F236-L285 HydrophobicContact CD1-CD2 3.95Å; F236-L285 HydrophobicContact CE1-CD2 4.05Å; F236-L285 HydrophobicContact CG-CD2 4.2Å; F236-L285 HydrophobicContact CZ-CD2 4.39Å; R238-L285 VanDerWaalsContact CZ-CB 3.45Å; V277-L285 HydrophobicContact CB-CD1 3.58Å; V277-L285 HydrophobicContact CB-CG 3.85Å; V277-L285 HydrophobicContact CG2-CD1 3.5Å; V277-L285 VanDerWaalsContact CG2-CD1 3.5Å; V277-L285 HydrophobicContact CG2-CG 4.32Å; V277-L285 PolarHBondContact N-O 3.27Å; V277-L285 PolarHBondContact O-N 3Å; H283-L285 VanDerWaalsContact CE1-C 3.41Å; H283-L285 PolarHBondContact CE1-O 3.12Å |
| 286 | D | 96.7 | Very high | 91.6 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 32% | 0.321 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.6 | 171.5 | -78.8 | -4.7 | 0 | 0 | 0 | 110 | R238 Q274 F275 K276 H283 | R238-D286 PolarHBondContact NH1-O 3.14Å; Q274-D286 VanDerWaalsContact NE2-CG 3.34Å; Q274-D286 PolarHBondContact NE2-OD2 3.06Å; F275-D286 CarbonylContact O-C 3.57Å; F275-D286 WeakPolarHBondContact O-CA 3.42Å; K276-D286 WeakPolarHBondContact CG-OD1 3.16Å; H283-D286 IonicContact CE1-OD1 2.69Å; H283-D286 PolarHBondContact CE1-OD1 3.24Å; H283-D286 IonicContact NE2-OD1 3.86Å; H283-D286 PolarHBondContact NE2-OD1 3.18Å |
| 287 | Y | 98.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 111.1 | 178.6 | -172.6 | -104.4 | 0 | 0 | 0 | 111.4 | L225 R238 N239 S240 E250 Q274 F275 R290 | L225-Y287 HydrophobicContact CD1-CD1 3.39Å; L225-Y287 HydrophobicContact CD1-CE1 3.85Å; L225-Y287 HydrophobicContact CD1-CG 3.74Å; R238-Y287 HydrophobicContact CB-CD2 4.17Å; R238-Y287 HydrophobicContact CB-CE2 4.4Å; R238-Y287 HydrophobicContact CG-CD2 3.6Å; R238-Y287 HydrophobicContact CG-CE2 3.99Å; R238-Y287 HydrophobicContact CG-CG 4.47Å; N239-Y287 WeakPolarHBondContact CA-OH 3.11Å; N239-Y287 PolarHBondContact O-OH 2.94Å; S240-Y287 PolarHBondContact N-OH 3.13Å; S240-Y287 PolarHBondContact OG-OH 2.98Å; E250-Y287 VanDerWaalsContact OE1-CE2 3.32Å; E250-Y287 WeakPolarHBondContact OE1-CE2 3.45Å; Q274-Y287 CarbonylContact C-O 3.56Å; Q274-Y287 WeakPolarHBondContact CA-O 3.48Å; Q274-Y287 VanDerWaalsContact CB-O 3.3Å; Q274-Y287 WeakPolarHBondContact CB-O 3.35Å; F275-Y287 HydrophobicContact CD2-CD1 4.25Å; F275-Y287 PolarHBondContact N-O 3.13Å; F275-Y287 PolarHBondContact O-N 3.13Å; Y287-R290 HydrophobicContact CE1-CG 4.41Å; Y287-R290 VanDerWaalsContact OH-CD 3.29Å; Y287-R290 WeakPolarHBondContact OH-CD 3.5Å; Y287-R290 PolarHBondContact OH-NE 2.83Å; Y287-R290 PolarHBondContact OH-NH1 2.75Å |
| 288 | K | 98 | Very high | 91.6 | Very high | 153 Ų | 153 | 46.2 Ų | 46.2 | 67% | 0.665 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 138.3 | -180 | -69.6 | -176.9 | 179.9 | 178.2 | 0 | 111.1 | R290 | K288-R290 PolarHBondContact O-N 3.19Å; K288-R290 VanDerWaalsContact O-N 3.16Å |
| 289 | H | 97.5 | Very high | 92 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | trans | -60.4 | 120.6 | -179.9 | -67 | -30.4 | 0 | 0 | 0 | 110.4 | E271 H273 Q274 F275 Q292 | E271-H289 PolarHBondContact O-NE2 2.85Å; H273-H289 PolarHBondContact O-N 3.25Å; Q274-H289 PolarHBondContact N-CD2 2.91Å; Q274-H289 VanDerWaalsContact N-CD2 3.31Å; Q274-H289 PolarHBondContact N-NE2 2.83Å; Q274-H289 PolarHBondContact O-CE1 2.77Å; Q274-H289 VanDerWaalsContact O-CE1 3.28Å; Q274-H289 PolarHBondContact O-NE2 3.37Å; F275-H289 AromaticContact CD1-CE1 3.9Å; F275-H289 AromaticContact CD2-CE1 3.59Å; F275-H289 AromaticContact CD2-ND1 3.42Å; F275-H289 WeakPolarHBondContact CD2-ND1 3.46Å; F275-H289 AromaticContact CE1-CE1 3.81Å; F275-H289 AromaticContact CE2-CE1 3.51Å; F275-H289 AromaticContact CE2-ND1 3.25Å; F275-H289 WeakPolarHBondContact CE2-ND1 3.39Å; F275-H289 AromaticContact CG-CE1 3.79Å; F275-H289 AromaticContact CZ-CE1 3.61Å; F275-H289 AromaticContact CZ-ND1 3.76Å; F275-H289 PolarHBondContact N-CE1 3.02Å; H289-Q292 PolarHBondContact O-NE2 2.91Å | ||
| 290 | R | 97.5 | Very high | 92.4 | Very high | 70 Ų | 70 | 47.1 Ų | 47.1 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -93.4 | -22.1 | 167.8 | -57.6 | -167.5 | -172 | 165.3 | 5.1 | 111.8 | N239 L242 P248 E250 Y287 K288 | N239-R290 PolarHBondContact OD1-NH1 2.9Å; L242-R290 HydrophobicContact CD1-CB 3.94Å; P248-R290 PolarHBondContact O-NH1 2.97Å; P248-R290 VanDerWaalsContact O-NH1 3.13Å; P248-R290 PolarHBondContact O-NH2 2.83Å; E250-R290 IonicContact OE1-CZ 2.76Å; E250-R290 IonicContact OE1-NH2 3.68Å; E250-R290 PolarHBondContact OE1-NH2 2.77Å; Y287-R290 HydrophobicContact CE1-CG 4.41Å; Y287-R290 VanDerWaalsContact OH-CD 3.29Å; Y287-R290 WeakPolarHBondContact OH-CD 3.5Å; Y287-R290 PolarHBondContact OH-NE 2.83Å; Y287-R290 PolarHBondContact OH-NH1 2.75Å; K288-R290 PolarHBondContact O-N 3.19Å; K288-R290 VanDerWaalsContact O-N 3.16Å |
| 291 | V | 95.7 | Very high | 93.1 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -106.5 | 113 | 167.1 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | V217 A224 L242 | V217-V291 HydrophobicContact CG2-CG1 4.25Å; V217-V291 HydrophobicContact CG2-CG2 4.22Å; A224-V291 HydrophobicContact CB-CB 4Å; A224-V291 HydrophobicContact CB-CG2 3.76Å; L242-V291 HydrophobicContact CD1-CG2 4.32Å; L242-V291 HydrophobicContact CD2-CG2 3.57Å |
| 292 | Q | 94.7 | Very high | 94.5 | Very high | 136 Ų | 136 | 46.3 Ų | 46.3 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | trans | -78.9 | -32.8 | -175.3 | -58.6 | -55.9 | -46.8 | 0 | 0 | 112.9 | H289 L294 | H289-Q292 PolarHBondContact O-NE2 2.91Å; Q292-L294 PolarHBondContact O-N 2.88Å; Q292-L294 VanDerWaalsContact O-N 3.11Å | ||
| 293 | D | 95.4 | Very high | 95.8 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | trans | -83.5 | 88.2 | 179 | -173.9 | 0.2 | 0 | 0 | 0 | 110.2 | S295 R296 | D293-S295 PolarHBondContact O-N 2.85Å; D293-S295 WeakPolarHBondContact OD1-CB 3.27Å; D293-S295 PolarHBondContact OD1-N 2.9Å; D293-S295 PolarHBondContact OD1-OG 3.13Å; D293-R296 HydrophobicContact CB-CG 4.14Å; D293-R296 WeakPolarHBondContact O-CB 3.42Å; D293-R296 PolarHBondContact O-N 2.85Å; D293-R296 VanDerWaalsContact O-N 3.12Å; D293-R296 WeakPolarHBondContact OD2-CD 3.46Å; D293-R296 VanDerWaalsContact OD2-CG 3.31Å; D293-R296 WeakPolarHBondContact OD2-CG 3.48Å | ||
| 294 | L | 96.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 9% | 0.094 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -59.9 | -28.5 | -178.2 | -60.5 | 173.5 | 0 | 0 | 0 | 112.7 | L192 V194 C270 F275 Q292 R296 I297 | L192-L294 HydrophobicContact CB-CB 4.28Å; L192-L294 PolarHBondContact N-O 3.41Å; L192-L294 CarbonylContact O-C 3.52Å; L192-L294 VanDerWaalsContact O-CB 3.23Å; L192-L294 WeakPolarHBondContact O-CB 3.46Å; V194-L294 HydrophobicContact CG2-CD1 3.96Å; C270-L294 VanDerWaalsContact SG-CD1 3.55Å; F275-L294 HydrophobicContact CZ-CD2 4.29Å; Q292-L294 PolarHBondContact O-N 2.88Å; Q292-L294 VanDerWaalsContact O-N 3.11Å; L294-R296 PolarHBondContact O-N 3.4Å; L294-I297 HydrophobicContact CD2-CD1 4.06Å; L294-I297 WeakPolarHBondContact O-CB 3.38Å; L294-I297 PolarHBondContact O-N 3.15Å |
| 295 | S | 95.3 | Very high | 96.7 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -65.2 | -20 | 179.4 | 76.3 | 0 | 0 | 0 | 0 | 112.7 | G191 L192 D293 I297 T298 | G191-S295 WeakPolarHBondContact CA-O 3.41Å; L192-S295 PolarHBondContact O-N 2.95Å; D293-S295 PolarHBondContact O-N 2.85Å; D293-S295 WeakPolarHBondContact OD1-CB 3.27Å; D293-S295 PolarHBondContact OD1-N 2.9Å; D293-S295 PolarHBondContact OD1-OG 3.13Å; S295-I297 VanDerWaalsContact C-N 3.33Å; S295-T298 WeakPolarHBondContact O-CG2 3.35Å |
| 296 | R | 96.2 | Very high | 96.8 | Very high | 117 Ų | 117 | 46.1 Ų | 46.1 | 44% | 0.442 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -79.5 | -14.8 | 175 | -64.9 | -178.6 | 61.4 | -168.3 | -5.7 | 113.6 | V217 G218 D293 L294 T298 | V217-R296 CarbonylContact C-O 3.56Å; V217-R296 VanDerWaalsContact CA-O 3.29Å; V217-R296 WeakPolarHBondContact CA-O 3.3Å; V217-R296 HydrophobicContact CG1-CB 4.06Å; G218-R296 PolarHBondContact N-O 3.44Å; D293-R296 HydrophobicContact CB-CG 4.14Å; D293-R296 WeakPolarHBondContact O-CB 3.42Å; D293-R296 PolarHBondContact O-N 2.85Å; D293-R296 VanDerWaalsContact O-N 3.12Å; D293-R296 WeakPolarHBondContact OD2-CD 3.46Å; D293-R296 VanDerWaalsContact OD2-CG 3.31Å; D293-R296 WeakPolarHBondContact OD2-CG 3.48Å; L294-R296 PolarHBondContact O-N 3.4Å; R296-T298 PolarHBondContact O-N 2.76Å; R296-T298 VanDerWaalsContact O-N 3.13Å |
| 297 | I | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 89.5 | 179.1 | -52.6 | 177.1 | 0 | 0 | 0 | 108.2 | L188 G191 L192 L215 R216 A224 F275 L294 S295 | L188-I297 WeakPolarHBondContact CD1-O 3.35Å; G191-I297 CarbonylContact C-O 3.56Å; G191-I297 WeakPolarHBondContact CA-O 3Å; L192-I297 HydrophobicContact CB-CB 4.48Å; L192-I297 HydrophobicContact CD1-CB 4.16Å; L192-I297 HydrophobicContact CD1-CD1 4.44Å; L192-I297 HydrophobicContact CD1-CG2 3.8Å; L192-I297 HydrophobicContact CG-CB 4.23Å; L192-I297 HydrophobicContact CG-CG2 4.21Å; L192-I297 PolarHBondContact N-O 2.85Å; L215-I297 HydrophobicContact CB-CG2 3.66Å; R216-I297 CarbonylContact O-C 3.59Å; R216-I297 WeakPolarHBondContact O-CA 3.33Å; A224-I297 HydrophobicContact CB-CD1 3.53Å; A224-I297 HydrophobicContact CB-CG1 3.77Å; A224-I297 HydrophobicContact CB-CG2 4.49Å; F275-I297 HydrophobicContact CZ-CD1 3.81Å; L294-I297 HydrophobicContact CD2-CD1 4.06Å; L294-I297 WeakPolarHBondContact O-CB 3.38Å; L294-I297 PolarHBondContact O-N 3.15Å; S295-I297 VanDerWaalsContact C-N 3.33Å |
| 298 | T | 95.8 | Very high | 96.5 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 3.7 | -168.9 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | K187 L188 R216 G218 S295 R296 | K187-T298 WeakPolarHBondContact CA-O 3.33Å; L188-T298 PolarHBondContact N-O 3.43Å; R216-T298 PolarHBondContact O-N 2.89Å; R216-T298 VanDerWaalsContact O-N 3.13Å; G218-T298 WeakPolarHBondContact CA-OG1 3.21Å; G218-T298 PolarHBondContact N-OG1 3.46Å; S295-T298 WeakPolarHBondContact O-CG2 3.35Å; R296-T298 PolarHBondContact O-N 2.76Å; R296-T298 VanDerWaalsContact O-N 3.13Å |
| 299 | E | 95.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 45.5 Ų | 45.5 | 15% | 0.15 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 132.1 | -174.2 | -73.7 | -179.5 | -148.7 | 0 | 0 | 111.4 | R185 G186 L215 R216 | R185-E299 IonicContact NH1-OE2 3.94Å; R185-E299 PolarHBondContact NH1-OE2 3.13Å; G186-E299 WeakPolarHBondContact O-CA 3.48Å; L215-E299 WeakPolarHBondContact CA-O 3.39Å; R216-E299 HydrophobicContact CB-CB 3.99Å; R216-E299 PolarHBondContact N-O 3.35Å; R216-E299 PolarHBondContact O-N 3.21Å |
| 300 | L | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.4 | 167.7 | 172.6 | 64.5 | 0 | 0 | 0 | 108.1 | F184 R185 G186 I198 I200 V213 N214 L215 I302 I311 | F184-L300 HydrophobicContact CE1-CD2 4.23Å; F184-L300 HydrophobicContact CE1-CG 4.46Å; R185-L300 CarbonylContact C-O 3.6Å; R185-L300 WeakPolarHBondContact CA-O 3.29Å; G186-L300 PolarHBondContact N-O 3.21Å; G186-L300 PolarHBondContact O-N 2.88Å; I198-L300 HydrophobicContact CG2-CD2 4.02Å; I200-L300 HydrophobicContact CD1-CD1 4.27Å; V213-L300 HydrophobicContact CG1-CD1 3.77Å; N214-L300 WeakPolarHBondContact O-CA 3.32Å; L215-L300 HydrophobicContact CD2-CD1 3.8Å; L300-I302 HydrophobicContact CD1-CD1 4.38Å; L300-I302 HydrophobicContact CD1-CG1 4.15Å; L300-I302 HydrophobicContact CD2-CD1 4.27Å; L300-I302 HydrophobicContact CG-CD1 4.35Å; L300-I302 HydrophobicContact CG-CG1 4.25Å; L300-I311 HydrophobicContact CD2-CD1 4.34Å; L300-I311 HydrophobicContact CD2-CG2 3.68Å |
| 301 | E | 96.9 | Very high | 94.9 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.1 | 177.2 | 164.1 | 179.7 | -110.4 | 0 | 0 | 109.8 | F184 R185 V213 N214 R216 L303 | F184-E301 CarbonylContact O-C 3.58Å; F184-E301 WeakPolarHBondContact O-CA 3.04Å; R185-E301 HydrophobicContact CG-CB 4.17Å; R185-E301 HydrophobicContact CG-CG 4.31Å; R185-E301 IonicContact CZ-OE1 3.08Å; R185-E301 IonicContact NE-OE1 2.94Å; R185-E301 PolarHBondContact NE-OE1 2.84Å; R185-E301 IonicContact NH2-OE1 2.66Å; R185-E301 PolarHBondContact NH2-OE1 3.3Å; V213-E301 CarbonylContact C-O 3.55Å; V213-E301 WeakPolarHBondContact CA-O 3.32Å; N214-E301 HydrophobicContact CB-CB 4Å; N214-E301 HydrophobicContact CB-CG 4.36Å; N214-E301 PolarHBondContact N-O 2.91Å; N214-E301 PolarHBondContact ND2-OE2 2.82Å; N214-E301 PolarHBondContact O-N 3.24Å; R216-E301 WeakPolarHBondContact CD-OE2 3.5Å; R216-E301 HydrophobicContact CG-CB 4.45Å; R216-E301 IonicContact CZ-OE2 2.62Å; R216-E301 IonicContact NH1-OE1 2.74Å; R216-E301 IonicContact NH1-OE2 3.14Å; R216-E301 PolarHBondContact NH1-OE2 2.88Å; E301-L303 VanDerWaalsContact CD-CD1 3.47Å; E301-L303 HydrophobicContact CG-CD1 3.16Å |
| 302 | I | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 131.5 | 179.4 | -51.5 | 176.4 | 0 | 0 | 0 | 109.1 | L182 F184 I200 L212 V213 L300 L306 L308 I311 | L182-I302 HydrophobicContact CD2-CB 4.25Å; L182-I302 HydrophobicContact CD2-CG2 4.03Å; L182-I302 WeakPolarHBondContact CD2-O 3.4Å; F184-I302 HydrophobicContact CB-CB 4.26Å; F184-I302 HydrophobicContact CD1-CD1 4.29Å; F184-I302 HydrophobicContact CD1-CG1 4.33Å; F184-I302 PolarHBondContact N-O 2.92Å; F184-I302 PolarHBondContact O-N 3.3Å; I200-I302 HydrophobicContact CD1-CD1 3.78Å; I200-I302 HydrophobicContact CG1-CD1 4.04Å; I200-I302 HydrophobicContact CG2-CD1 3.84Å; L212-I302 WeakPolarHBondContact O-CA 3.33Å; L212-I302 WeakPolarHBondContact O-CG2 3.5Å; V213-I302 HydrophobicContact CG1-CG1 4.38Å; V213-I302 HydrophobicContact CG2-CG1 4.27Å; V213-I302 HydrophobicContact CG2-CG2 4.32Å; L300-I302 HydrophobicContact CD1-CD1 4.38Å; L300-I302 HydrophobicContact CD1-CG1 4.15Å; L300-I302 HydrophobicContact CD2-CD1 4.27Å; L300-I302 HydrophobicContact CG-CD1 4.35Å; L300-I302 HydrophobicContact CG-CG1 4.25Å; I302-L306 HydrophobicContact CG2-CD1 4.45Å; I302-L306 HydrophobicContact CG2-CD2 4.07Å; I302-L308 HydrophobicContact CB-CD1 4.35Å; I302-L308 HydrophobicContact CD1-CD1 4.24Å; I302-L308 HydrophobicContact CD1-CD2 3.83Å; I302-L308 HydrophobicContact CG2-CD1 4.42Å; I302-L308 HydrophobicContact CG2-CD2 4.19Å; I302-I311 HydrophobicContact CD1-CD1 3.75Å; I302-I311 HydrophobicContact CD1-CG1 4.45Å |
| 303 | L | 98 | Very high | 93.6 | Very high | 51 Ų | 51 | 40.4 Ų | 40.4 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 164 | 179.9 | -63.8 | 93.3 | 0 | 0 | 0 | 111.2 | P183 F211 L212 E301 | P183-L303 HydrophobicContact CB-CD1 4.43Å; P183-L303 HydrophobicContact CB-CD2 3.56Å; P183-L303 HydrophobicContact CB-CG 3.56Å; F211-L303 CarbonylContact C-O 3.49Å; F211-L303 VanDerWaalsContact CA-O 3.29Å; F211-L303 WeakPolarHBondContact CA-O 2.94Å; F211-L303 VanDerWaalsContact CB-O 3.29Å; F211-L303 WeakPolarHBondContact CB-O 3.46Å; L212-L303 HydrophobicContact CD1-CB 4.11Å; L212-L303 HydrophobicContact CD1-CD1 3.51Å; L212-L303 HydrophobicContact CD1-CG 4.42Å; L212-L303 HydrophobicContact CD2-CB 4.45Å; L212-L303 HydrophobicContact CG-CB 4.03Å; L212-L303 HydrophobicContact CG-CD1 4.27Å; L212-L303 PolarHBondContact N-O 3.03Å; L212-L303 PolarHBondContact O-N 3.22Å; L212-L303 VanDerWaalsContact O-N 3.15Å; E301-L303 VanDerWaalsContact CD-CD1 3.47Å; E301-L303 HydrophobicContact CG-CD1 3.16Å |
| 304 | G | 97.7 | Very high | 92.5 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.5 | -154.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L182 L306 | L182-G304 WeakPolarHBondContact CD1-O 3.38Å; G304-L306 VanDerWaalsContact C-N 3.34Å; G304-L306 PolarHBondContact O-N 3.06Å |
| 305 | D | 97.9 | Very high | 92.3 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 29% | 0.294 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -86.4 | 67.8 | -161.4 | -52.5 | -41.6 | 0 | 0 | 0 | 113.2 | S205 P208 H209 S210 | S205-D305 PolarHBondContact N-O 2.76Å; S205-D305 PolarHBondContact OG-O 2.89Å; P208-D305 HydrophobicContact CB-CB 3.66Å; H209-D305 WeakPolarHBondContact CA-OD2 3.21Å; H209-D305 WeakPolarHBondContact CB-OD2 3.41Å; H209-D305 PolarHBondContact N-OD2 2.66Å; S210-D305 PolarHBondContact N-OD2 2.94Å; S210-D305 PolarHBondContact O-N 3.47Å |
| 306 | L | 97.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.068 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 165.6 | 174.7 | 67.1 | 89.1 | 0 | 0 | 0 | 112.5 | L182 Q203 S205 F211 F264 I302 G304 L308 | L182-L306 HydrophobicContact CD1-CD1 3.76Å; L182-L306 HydrophobicContact CD1-CG 3.84Å; L182-L306 WeakPolarHBondContact CD1-O 3.45Å; L182-L306 HydrophobicContact CD2-CD1 4.36Å; L182-L306 HydrophobicContact CG-CD1 4.47Å; Q203-L306 CarbonylContact O-C 3.51Å; Q203-L306 VanDerWaalsContact O-CA 3.3Å; Q203-L306 WeakPolarHBondContact O-CA 3.36Å; Q203-L306 WeakPolarHBondContact O-CB 3.4Å; S205-L306 PolarHBondContact OG-N 3.28Å; F211-L306 HydrophobicContact CB-CD2 3.58Å; F211-L306 HydrophobicContact CB-CG 4.34Å; F211-L306 HydrophobicContact CD1-CD2 3.95Å; F211-L306 HydrophobicContact CD2-CD2 3.44Å; F211-L306 VanDerWaalsContact CD2-CD2 3.44Å; F211-L306 HydrophobicContact CE1-CD2 4.47Å; F211-L306 HydrophobicContact CE2-CD2 3.99Å; F211-L306 HydrophobicContact CG-CD2 3.42Å; F211-L306 VanDerWaalsContact CG-CD2 3.42Å; F211-L306 HydrophobicContact CZ-CD2 4.47Å; F264-L306 HydrophobicContact CE1-CB 4.41Å; F264-L306 HydrophobicContact CE1-CD2 4.36Å; F264-L306 HydrophobicContact CZ-CD2 4.05Å; I302-L306 HydrophobicContact CG2-CD1 4.45Å; I302-L306 HydrophobicContact CG2-CD2 4.07Å; G304-L306 VanDerWaalsContact C-N 3.34Å; G304-L306 PolarHBondContact O-N 3.06Å; L306-L308 HydrophobicContact CD1-CB 4.36Å; L306-L308 HydrophobicContact CD1-CD2 3.66Å; L306-L308 HydrophobicContact CD1-CG 3.57Å |
| 307 | Q | 94.5 | Very high | 91.9 | Very high | 115 Ų | 115 | 38.3 Ų | 38.3 | 54% | 0.537 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126.9 | 161.7 | -179.5 | 179 | 12.2 | 0 | 0 | 108.5 | G202 Q203 L309 | G202-Q307 CarbonylContact C-O 3.52Å; G202-Q307 WeakPolarHBondContact CA-O 3.45Å; Q203-Q307 PolarHBondContact N-O 3.49Å; Q203-Q307 PolarHBondContact O-N 2.79Å; Q307-L309 HydrophobicContact CG-CD2 4.24Å |
| 308 | L | 94.8 | Very high | 91.6 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 137.9 | 171.3 | -74.5 | 172.6 | 0 | 0 | 0 | 110.2 | L180 L182 F184 I200 I302 L306 I311 | L180-L308 HydrophobicContact CB-CB 3.91Å; L182-L308 HydrophobicContact CD2-CD1 3.52Å; L182-L308 HydrophobicContact CD2-CG 3.94Å; L182-L308 HydrophobicContact CG-CD1 4.49Å; F184-L308 HydrophobicContact CB-CD1 3.44Å; F184-L308 VanDerWaalsContact CB-CD1 3.44Å; F184-L308 HydrophobicContact CD1-CD1 4.35Å; F184-L308 HydrophobicContact CD2-CD1 4.15Å; F184-L308 HydrophobicContact CG-CD1 3.72Å; I200-L308 HydrophobicContact CG2-CD2 3.79Å; I302-L308 HydrophobicContact CB-CD1 4.35Å; I302-L308 HydrophobicContact CD1-CD1 4.24Å; I302-L308 HydrophobicContact CD1-CD2 3.83Å; I302-L308 HydrophobicContact CG2-CD1 4.42Å; I302-L308 HydrophobicContact CG2-CD2 4.19Å; L306-L308 HydrophobicContact CD1-CB 4.36Å; L306-L308 HydrophobicContact CD1-CD2 3.66Å; L306-L308 HydrophobicContact CD1-CG 3.57Å; L308-I311 HydrophobicContact CD1-CD1 4Å; L308-I311 HydrophobicContact CD2-CD1 4.3Å; L308-I311 HydrophobicContact CD2-CG1 4.46Å |
| 309 | L | 84.3 | Confident | 91.3 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 40% | 0.403 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -36.1 | -178.6 | -60.2 | 176.3 | 0 | 0 | 0 | 112.2 | L180 K201 Q203 Y263 Q307 | L180-L309 WeakPolarHBondContact CD1-O 3.45Å; K201-L309 HydrophobicContact CB-CB 4.29Å; K201-L309 PolarHBondContact O-N 3.39Å; Q203-L309 HydrophobicContact CB-CD1 4.41Å; Y263-L309 HydrophobicContact CD2-CD1 3.82Å; Y263-L309 HydrophobicContact CE2-CD1 4.06Å; Q307-L309 HydrophobicContact CG-CD2 4.24Å |
| 310 | D | 85.8 | Confident | 91 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 146.6 | 180 | -168.8 | 20.2 | 0 | 0 | 0 | 109.6 | K201 K312 | K201-D310 HydrophobicContact CB-CB 3.93Å; K201-D310 HydrophobicContact CD-CB 4Å; K201-D310 HydrophobicContact CG-CB 4.15Å; K201-D310 PolarHBondContact N-O 2.65Å; K201-D310 PolarHBondContact O-N 3.21Å; D310-K312 WeakPolarHBondContact OD1-CE 3.44Å; D310-K312 IonicContact OD1-NZ 2.9Å; D310-K312 WeakPolarHBondContact OD2-CE 3.08Å; D310-K312 IonicContact OD2-NZ 2.64Å; D310-K312 PolarHBondContact OD2-NZ 3.05Å |
| 311 | I | 88.2 | Confident | 90.6 | Very high | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 131.5 | 170.6 | -61.8 | 171.6 | 0 | 0 | 0 | 107.6 | L174 M176 L180 F184 T199 L300 I302 L308 | L174-I311 HydrophobicContact CD1-CG2 4.46Å; M176-I311 HydrophobicContact CE-CB 3.81Å; M176-I311 HydrophobicContact CE-CG2 4.14Å; M176-I311 WeakPolarHBondContact CE-O 3.36Å; M176-I311 HydrophobicContact SD-CB 3.72Å; M176-I311 HydrophobicContact SD-CD1 4.43Å; M176-I311 HydrophobicContact SD-CG2 3.58Å; M176-I311 VanDerWaalsContact SD-CG2 3.58Å; L180-I311 HydrophobicContact CD2-CD1 4.14Å; L180-I311 HydrophobicContact CD2-CG1 4.36Å; F184-I311 HydrophobicContact CD1-CD1 3.58Å; F184-I311 HydrophobicContact CD2-CD1 4.28Å; F184-I311 HydrophobicContact CE1-CD1 3.34Å; F184-I311 HydrophobicContact CE2-CD1 4.06Å; F184-I311 HydrophobicContact CG-CD1 4.06Å; F184-I311 HydrophobicContact CZ-CD1 3.6Å; T199-I311 CarbonylContact O-C 3.5Å; T199-I311 VanDerWaalsContact O-CA 3.31Å; T199-I311 WeakPolarHBondContact O-CA 3.3Å; L300-I311 HydrophobicContact CD2-CD1 4.34Å; L300-I311 HydrophobicContact CD2-CG2 3.68Å; I302-I311 HydrophobicContact CD1-CD1 3.75Å; I302-I311 HydrophobicContact CD1-CG1 4.45Å; L308-I311 HydrophobicContact CD1-CD1 4Å; L308-I311 HydrophobicContact CD2-CD1 4.3Å; L308-I311 HydrophobicContact CD2-CG1 4.46Å |
| 312 | K | 83.8 | Confident | 90.1 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140.7 | 178.5 | -64.7 | -173.1 | 173.8 | 134.8 | 0 | 111.1 | I198 T199 D310 W314 | I198-K312 CarbonylContact C-O 3.52Å; I198-K312 WeakPolarHBondContact CA-O 3.37Å; T199-K312 PolarHBondContact N-O 3.48Å; T199-K312 PolarHBondContact O-N 2.77Å; D310-K312 WeakPolarHBondContact OD1-CE 3.44Å; D310-K312 IonicContact OD1-NZ 2.9Å; D310-K312 WeakPolarHBondContact OD2-CE 3.08Å; D310-K312 IonicContact OD2-NZ 2.64Å; D310-K312 PolarHBondContact OD2-NZ 3.05Å; K312-W314 HydrophobicContact CB-CZ2 3.69Å; K312-W314 HydrophobicContact CD-CH2 3.65Å; K312-W314 HydrophobicContact CD-CZ2 3.22Å; K312-W314 HydrophobicContact CG-CZ2 4.04Å |
| 313 | L | 81.1 | Confident | 89.5 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 12% | 0.12 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.4 | 170.7 | -177.9 | 78.4 | 0 | 0 | 0 | 107.4 | L174 L188 L192 H196 T197 I198 | L174-L313 HydrophobicContact CD1-CB 3.26Å; L174-L313 VanDerWaalsContact CD1-N 3.32Å; L174-L313 HydrophobicContact CD2-CB 4.49Å; L174-L313 HydrophobicContact CG-CB 3.56Å; L174-L313 HydrophobicContact CG-CD2 4.09Å; L174-L313 HydrophobicContact CG-CG 4.47Å; L188-L313 HydrophobicContact CD2-CD1 4.15Å; L188-L313 HydrophobicContact CD2-CD2 3.74Å; L188-L313 HydrophobicContact CD2-CG 4.46Å; L192-L313 HydrophobicContact CD2-CD1 4.15Å; H196-L313 HydrophobicContact CB-CD1 4.49Å; T197-L313 WeakPolarHBondContact O-CA 3.3Å; I198-L313 HydrophobicContact CD1-CD1 4.49Å; I198-L313 HydrophobicContact CG1-CD1 3.54Å |
| 314 | W | 70.6 | Confident | 88.7 | Confident | 118 Ų | 118 | 50.5 Ų | 50.5 | 45% | 0.447 | 26% | 0.257 | S | S | . | . | trans | -133.7 | 0 | 178.2 | -37.9 | 88.4 | 0 | 0 | 0 | 109.9 | H196 T197 T199 K312 | H196-W314 CarbonylContact C-O 3.56Å; H196-W314 VanDerWaalsContact CA-O 3.25Å; H196-W314 WeakPolarHBondContact CA-O 3.04Å; T197-W314 PolarHBondContact N-O 3.13Å; T197-W314 PolarHBondContact O-N 3.35Å; T199-W314 PolarHBondContact OG1-NE1 3.24Å; K312-W314 HydrophobicContact CB-CZ2 3.69Å; K312-W314 HydrophobicContact CD-CH2 3.65Å; K312-W314 HydrophobicContact CD-CZ2 3.22Å; K312-W314 HydrophobicContact CG-CZ2 4.04Å |
Retrieved 314 of 314 residues in 936.3 ms
(Link to these results)