| 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 | 47.6 | Very low | 61.9 | Low | 233 Ų | 233 | 108.4 Ų | 108.4 | 100% | 1.148 | 60% | 0.597 | S | S | * | * | 0 | 35.2 | 0 | -138.2 | -172.6 | -56.3 | 0 | 0 | 111.8 | |||||
| 2 | E | 53.2 | Low | 64.5 | Low | 122 Ų | 122 | 105.1 Ų | 105.1 | 57% | 0.57 | 58% | 0.582 | S | S | * | * | trans | -109.6 | -14.8 | -174 | -77.4 | -157 | 157 | 0 | 0 | 118.6 | F4 T6 K190 | E2-F4 PolarHBondContact O-N 2.96Å; E2-T6 PolarHBondContact O-OG1 3.39Å; E2-K190 IonicContact OE1-NZ 3.56Å | ||
| 3 | P | 54.4 | Low | 66.9 | Low | 102 Ų | 102 | 98.4 Ų | 98.4 | 66% | 0.662 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.3 | -32.1 | -169.4 | 22.4 | -28.9 | 0 | 0 | 0 | 113.9 | Q7 | P3-Q7 PolarHBondContact O-N 3.05Å; P3-Q7 VanDerWaalsContact O-N 3.12Å |
| 4 | F | 39.9 | Very low | 68.9 | Low | 166 Ų | 166 | 104.5 Ų | 104.5 | 73% | 0.728 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.8 | -44 | -175.7 | -169.1 | -100.1 | 0 | 0 | 0 | 113.3 | E2 T6 Q7 C8 | E2-F4 PolarHBondContact O-N 2.96Å; F4-T6 VanDerWaalsContact C-N 3.3Å; F4-T6 PolarHBondContact O-N 3.24Å; F4-Q7 PolarHBondContact O-N 2.93Å; F4-C8 PolarHBondContact O-N 2.93Å; F4-C8 VanDerWaalsContact O-N 3.1Å |
| 5 | L | 49.4 | Very low | 70.7 | Confident | 135 Ų | 135 | 100.4 Ų | 100.4 | 71% | 0.707 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.1 | -37.2 | 177 | -71.2 | 171.3 | 0 | 0 | 0 | 111.8 | S9 | L5-S9 WeakPolarHBondContact O-CB 3.46Å; L5-S9 PolarHBondContact O-N 3.08Å |
| 6 | T | 59.3 | Low | 72.3 | Confident | 84 Ų | 84 | 96.1 Ų | 96.1 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -42 | 179.2 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | E2 F4 S9 A10 | E2-T6 PolarHBondContact O-OG1 3.39Å; F4-T6 VanDerWaalsContact C-N 3.3Å; F4-T6 PolarHBondContact O-N 3.24Å; T6-S9 PolarHBondContact O-N 2.91Å; T6-A10 PolarHBondContact O-N 3.37Å |
| 7 | Q | 56.8 | Low | 73.7 | Confident | 145 Ų | 145 | 93.5 Ų | 93.5 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -42.8 | 176.5 | -107.3 | 179.2 | -2.2 | 0 | 0 | 112.3 | P3 F4 S9 A10 A11 | P3-Q7 PolarHBondContact O-N 3.05Å; P3-Q7 VanDerWaalsContact O-N 3.12Å; F4-Q7 PolarHBondContact O-N 2.93Å; Q7-S9 VanDerWaalsContact C-N 3.33Å; Q7-S9 PolarHBondContact O-N 3.31Å; Q7-A10 PolarHBondContact O-N 2.96Å; Q7-A11 PolarHBondContact O-N 3.42Å; Q7-A11 VanDerWaalsContact O-N 3.11Å |
| 8 | C | 60.2 | Low | 74.9 | Confident | 72 Ų | 72 | 97.8 Ų | 97.8 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 176.2 | -164.1 | 0 | 0 | 0 | 0 | 110.6 | F4 A10 A11 V12 | F4-C8 PolarHBondContact O-N 2.93Å; F4-C8 VanDerWaalsContact O-N 3.1Å; C8-A10 PolarHBondContact O-N 3.36Å; C8-A11 PolarHBondContact O-N 3.38Å; C8-V12 WeakPolarHBondContact O-CB 3.3Å; C8-V12 WeakPolarHBondContact O-CG2 3.4Å; C8-V12 PolarHBondContact O-N 3.1Å |
| 9 | S | 82.1 | Confident | 76 | Confident | 21 Ų | 21 | 101.2 Ų | 101.2 | 15% | 0.147 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 112.6 | L5 T6 Q7 A11 V12 K13 | L5-S9 WeakPolarHBondContact O-CB 3.46Å; L5-S9 PolarHBondContact O-N 3.08Å; T6-S9 PolarHBondContact O-N 2.91Å; Q7-S9 VanDerWaalsContact C-N 3.33Å; Q7-S9 PolarHBondContact O-N 3.31Å; S9-A11 PolarHBondContact O-N 3.5Å; S9-V12 PolarHBondContact O-N 2.74Å; S9-K13 VanDerWaalsContact O-CB 3.24Å; S9-K13 WeakPolarHBondContact O-CB 3.39Å; S9-K13 WeakPolarHBondContact O-CG 3.4Å; S9-K13 PolarHBondContact O-N 3.36Å |
| 10 | A | 87.4 | Confident | 77 | Confident | 50 Ų | 50 | 96.4 Ų | 96.4 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | T6 Q7 C8 R14 | T6-A10 PolarHBondContact O-N 3.37Å; Q7-A10 PolarHBondContact O-N 2.96Å; C8-A10 PolarHBondContact O-N 3.36Å; A10-R14 WeakPolarHBondContact O-CB 3.28Å; A10-R14 PolarHBondContact O-N 3.01Å |
| 11 | A | 90.4 | Very high | 77.8 | Confident | 62 Ų | 62 | 93.3 Ų | 93.3 | 51% | 0.512 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.2 | -45.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q7 C8 S9 R14 G15 | Q7-A11 PolarHBondContact O-N 3.42Å; Q7-A11 VanDerWaalsContact O-N 3.11Å; C8-A11 PolarHBondContact O-N 3.38Å; S9-A11 PolarHBondContact O-N 3.5Å; A11-R14 WeakPolarHBondContact O-CB 3.48Å; A11-R14 PolarHBondContact O-N 3.43Å; A11-G15 PolarHBondContact O-N 3.01Å |
| 12 | V | 93.4 | Very high | 80.1 | Confident | 69 Ų | 69 | 83.6 Ų | 83.6 | 42% | 0.418 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 176.8 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | C8 S9 R14 G15 I16 P187 | C8-V12 WeakPolarHBondContact O-CB 3.3Å; C8-V12 WeakPolarHBondContact O-CG2 3.4Å; C8-V12 PolarHBondContact O-N 3.1Å; S9-V12 PolarHBondContact O-N 2.74Å; V12-R14 VanDerWaalsContact C-N 3.26Å; V12-R14 PolarHBondContact O-N 3.15Å; V12-G15 PolarHBondContact O-N 2.97Å; V12-G15 VanDerWaalsContact O-N 3.1Å; V12-I16 HydrophobicContact CG1-CD1 4.06Å; V12-I16 WeakPolarHBondContact O-CG1 3.37Å; V12-I16 PolarHBondContact O-N 3.35Å; V12-P187 HydrophobicContact CB-CG 4.45Å; V12-P187 HydrophobicContact CG1-CB 4.36Å; V12-P187 HydrophobicContact CG1-CG 3.91Å |
| 13 | K | 95.2 | Very high | 82.1 | Confident | 18 Ų | 18 | 80.3 Ų | 80.3 | 8% | 0.078 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -54.8 | -40.9 | 174.4 | -77.8 | -177.5 | 176.2 | -173.5 | 0 | 111.8 | S9 R17 L149 P187 D192 | S9-K13 VanDerWaalsContact O-CB 3.24Å; S9-K13 WeakPolarHBondContact O-CB 3.39Å; S9-K13 WeakPolarHBondContact O-CG 3.4Å; S9-K13 PolarHBondContact O-N 3.36Å; K13-R17 VanDerWaalsContact O-CG 3.31Å; K13-R17 WeakPolarHBondContact O-CG 3.38Å; K13-R17 PolarHBondContact O-N 2.94Å; K13-R17 VanDerWaalsContact O-N 3.08Å; K13-L149 HydrophobicContact CB-CD1 3.95Å; K13-L149 HydrophobicContact CD-CD1 3.94Å; K13-L149 HydrophobicContact CG-CD1 3.7Å; K13-P187 WeakPolarHBondContact CE-O 3.46Å; K13-P187 HydrophobicContact CG-CB 4.33Å; K13-P187 HydrophobicContact CG-CG 3.61Å; K13-D192 IonicContact NZ-OD1 3.69Å; K13-D192 PolarHBondContact NZ-OD1 3Å; K13-D192 IonicContact NZ-OD2 2.91Å; K13-D192 PolarHBondContact NZ-OD2 3.16Å |
| 14 | R | 94.8 | Very high | 84 | Confident | 184 Ų | 184 | 75.8 Ų | 75.8 | 69% | 0.694 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.7 | -42.6 | 177 | -170.8 | -171.7 | -57.7 | 180 | 1.6 | 112 | A10 A11 V12 R17 K18 | A10-R14 WeakPolarHBondContact O-CB 3.28Å; A10-R14 PolarHBondContact O-N 3.01Å; A11-R14 WeakPolarHBondContact O-CB 3.48Å; A11-R14 PolarHBondContact O-N 3.43Å; V12-R14 VanDerWaalsContact C-N 3.26Å; V12-R14 PolarHBondContact O-N 3.15Å; R14-R17 PolarHBondContact O-N 3.28Å; R14-K18 PolarHBondContact O-N 2.78Å |
| 15 | G | 96.1 | Very high | 86.5 | Confident | 43 Ų | 43 | 77 Ų | 77 | 44% | 0.443 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A11 V12 R17 K18 K19 | A11-G15 PolarHBondContact O-N 3.01Å; V12-G15 PolarHBondContact O-N 2.97Å; V12-G15 VanDerWaalsContact O-N 3.1Å; G15-R17 PolarHBondContact O-N 3.28Å; G15-K18 PolarHBondContact O-N 3.39Å; G15-K19 PolarHBondContact O-N 3.03Å |
| 16 | I | 96.4 | Very high | 88.7 | Confident | 31 Ų | 31 | 78.1 Ų | 78.1 | 16% | 0.159 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 176.8 | -64 | 169.4 | 0 | 0 | 0 | 110.7 | V12 K18 K19 V20 A141 L149 L183 L186 P187 | V12-I16 HydrophobicContact CG1-CD1 4.06Å; V12-I16 WeakPolarHBondContact O-CG1 3.37Å; V12-I16 PolarHBondContact O-N 3.35Å; I16-K18 VanDerWaalsContact C-N 3.31Å; I16-K18 PolarHBondContact O-N 3.12Å; I16-K19 PolarHBondContact O-N 2.89Å; I16-K19 VanDerWaalsContact O-N 3.16Å; I16-V20 HydrophobicContact CG2-CG2 4.16Å; I16-V20 WeakPolarHBondContact O-CG2 3.39Å; I16-V20 PolarHBondContact O-N 3.25Å; I16-A141 HydrophobicContact CG2-CB 4.27Å; I16-L149 HydrophobicContact CB-CD2 3.81Å; I16-L149 HydrophobicContact CG2-CD2 3.51Å; I16-L183 HydrophobicContact CG2-CD1 3.56Å; I16-L186 HydrophobicContact CD1-CD2 4.35Å; I16-L186 HydrophobicContact CG2-CD2 4.27Å; I16-P187 HydrophobicContact CD1-CG 3.82Å |
| 17 | R | 96 | Very high | 90.3 | Very high | 52 Ų | 52 | 75.4 Ų | 75.4 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55.3 | -47 | 177.3 | -73.2 | 175.6 | -168.9 | 111.7 | 2 | 112.1 | K13 R14 G15 V21 V140 L149 G150 | K13-R17 VanDerWaalsContact O-CG 3.31Å; K13-R17 WeakPolarHBondContact O-CG 3.38Å; K13-R17 PolarHBondContact O-N 2.94Å; K13-R17 VanDerWaalsContact O-N 3.08Å; R14-R17 PolarHBondContact O-N 3.28Å; G15-R17 PolarHBondContact O-N 3.28Å; R17-V21 VanDerWaalsContact O-CB 3.31Å; R17-V21 WeakPolarHBondContact O-CB 3.43Å; R17-V21 VanDerWaalsContact O-CG2 3.24Å; R17-V21 WeakPolarHBondContact O-CG2 3.43Å; R17-V21 PolarHBondContact O-N 3.19Å; R17-V140 HydrophobicContact CB-CG1 4.24Å; R17-V140 HydrophobicContact CG-CB 4.36Å; R17-V140 HydrophobicContact CG-CG1 4.11Å; R17-V140 HydrophobicContact CG-CG2 4.35Å; R17-L149 HydrophobicContact CG-CD2 3.95Å; R17-L149 HydrophobicContact CG-CG 4.21Å; R17-G150 PolarHBondContact NE-O 2.94Å; R17-G150 PolarHBondContact NH2-O 2.85Å |
| 18 | K | 95.7 | Very high | 92.1 | Very high | 172 Ų | 172 | 72.8 Ų | 72.8 | 75% | 0.748 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 179 | -174.3 | 179.5 | 177.7 | -176.9 | 0 | 111.4 | R14 G15 I16 G22 | R14-K18 PolarHBondContact O-N 2.78Å; G15-K18 PolarHBondContact O-N 3.39Å; I16-K18 VanDerWaalsContact C-N 3.31Å; I16-K18 PolarHBondContact O-N 3.12Å; K18-G22 PolarHBondContact O-N 3.37Å |
| 19 | K | 96.3 | Very high | 93.7 | Very high | 162 Ų | 162 | 73.5 Ų | 73.5 | 70% | 0.704 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.7 | -51.9 | 179.2 | -177 | -177.5 | 176.6 | -175 | 0 | 111.5 | G15 I16 G22 S23 | G15-K19 PolarHBondContact O-N 3.03Å; I16-K19 PolarHBondContact O-N 2.89Å; I16-K19 VanDerWaalsContact O-N 3.16Å; K19-G22 PolarHBondContact O-N 3.49Å; K19-S23 PolarHBondContact O-N 3.31Å |
| 20 | V | 96.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 78.1 Ų | 78.1 | 3% | 0.03 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70 | -45.4 | -174.9 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | I16 G22 S23 L24 V140 A141 Q181 L183 | I16-V20 HydrophobicContact CG2-CG2 4.16Å; I16-V20 WeakPolarHBondContact O-CG2 3.39Å; I16-V20 PolarHBondContact O-N 3.25Å; V20-G22 PolarHBondContact O-N 3.07Å; V20-S23 WeakPolarHBondContact O-CB 3.43Å; V20-S23 PolarHBondContact O-N 3Å; V20-S23 VanDerWaalsContact O-N 3.07Å; V20-L24 HydrophobicContact CG1-CD1 4.24Å; V20-L24 HydrophobicContact CG1-CG 4.5Å; V20-L24 WeakPolarHBondContact O-CG 3.43Å; V20-L24 PolarHBondContact O-N 2.96Å; V20-V140 HydrophobicContact CB-CG1 4.08Å; V20-V140 HydrophobicContact CG1-CG1 4.29Å; V20-V140 WeakPolarHBondContact CG1-O 3.49Å; V20-A141 HydrophobicContact CG2-CB 4.23Å; V20-Q181 HydrophobicContact CG1-CB 4.4Å; V20-Q181 HydrophobicContact CG1-CG 3.94Å; V20-L183 HydrophobicContact CG2-CD1 4.29Å |
| 21 | V | 93.7 | Very high | 94.7 | Very high | 32 Ų | 32 | 77.7 Ų | 77.7 | 19% | 0.194 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.8 | -36.7 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | R17 L24 R25 V140 | R17-V21 VanDerWaalsContact O-CB 3.31Å; R17-V21 WeakPolarHBondContact O-CB 3.43Å; R17-V21 VanDerWaalsContact O-CG2 3.24Å; R17-V21 WeakPolarHBondContact O-CG2 3.43Å; R17-V21 PolarHBondContact O-N 3.19Å; V21-L24 PolarHBondContact O-N 2.83Å; V21-R25 VanDerWaalsContact O-CG 3.3Å; V21-R25 WeakPolarHBondContact O-CG 3.24Å; V21-R25 PolarHBondContact O-N 3.12Å; V21-R25 VanDerWaalsContact O-N 3.12Å; V21-V140 HydrophobicContact CG2-CG1 3.88Å |
| 22 | G | 95.2 | Very high | 95 | Very high | 28 Ų | 28 | 75.7 Ų | 75.7 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K18 K19 V20 R25 L26 | K18-G22 PolarHBondContact O-N 3.37Å; K19-G22 PolarHBondContact O-N 3.49Å; V20-G22 PolarHBondContact O-N 3.07Å; G22-R25 PolarHBondContact O-N 2.93Å; G22-L26 WeakPolarHBondContact O-CG 3.31Å; G22-L26 PolarHBondContact O-N 3.31Å |
| 23 | S | 95.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 76.9 Ų | 76.9 | 38% | 0.378 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 176.2 | -162.1 | 0 | 0 | 0 | 0 | 111.9 | K19 V20 R25 L26 A27 | K19-S23 PolarHBondContact O-N 3.31Å; V20-S23 WeakPolarHBondContact O-CB 3.43Å; V20-S23 PolarHBondContact O-N 3Å; V20-S23 VanDerWaalsContact O-N 3.07Å; S23-R25 VanDerWaalsContact C-N 3.3Å; S23-R25 PolarHBondContact O-N 3.38Å; S23-L26 PolarHBondContact O-N 3.38Å; S23-L26 VanDerWaalsContact O-N 3.1Å; S23-A27 PolarHBondContact O-N 2.79Å |
| 24 | L | 94.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 81.6 Ų | 81.6 | 4% | 0.037 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.7 | -35 | -180 | -68.4 | 171.7 | 0 | 0 | 0 | 112.8 | V20 V21 L26 A27 L32 V63 F178 E180 Q181 | V20-L24 HydrophobicContact CG1-CD1 4.24Å; V20-L24 HydrophobicContact CG1-CG 4.5Å; V20-L24 WeakPolarHBondContact O-CG 3.43Å; V20-L24 PolarHBondContact O-N 2.96Å; V21-L24 PolarHBondContact O-N 2.83Å; L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 2.96Å; L24-A27 PolarHBondContact O-N 3.16Å; L24-L32 HydrophobicContact CD2-CD2 4.3Å; L24-V63 HydrophobicContact CB-CB 4.46Å; L24-V63 WeakPolarHBondContact CD1-O 3.49Å; L24-F178 HydrophobicContact CD2-CB 4.16Å; L24-F178 HydrophobicContact CD2-CD2 3.56Å; L24-F178 HydrophobicContact CD2-CE2 4.36Å; L24-F178 HydrophobicContact CD2-CG 4.23Å; L24-E180 HydrophobicContact CD2-CB 3.93Å; L24-E180 HydrophobicContact CD2-CG 4.46Å; L24-Q181 HydrophobicContact CD1-CG 3.97Å; L24-Q181 HydrophobicContact CD2-CG 4.12Å; L24-Q181 HydrophobicContact CG-CG 4.43Å |
| 25 | R | 92.7 | Very high | 95.5 | Very high | 192 Ų | 192 | 72.8 Ų | 72.8 | 73% | 0.725 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -71.5 | -19.7 | 175.9 | -72.8 | 174.7 | 179.8 | -168.3 | -1.4 | 113.9 | V21 G22 S23 V63 | V21-R25 VanDerWaalsContact O-CG 3.3Å; V21-R25 WeakPolarHBondContact O-CG 3.24Å; V21-R25 PolarHBondContact O-N 3.12Å; V21-R25 VanDerWaalsContact O-N 3.12Å; G22-R25 PolarHBondContact O-N 2.93Å; S23-R25 VanDerWaalsContact C-N 3.3Å; S23-R25 PolarHBondContact O-N 3.38Å; R25-V63 HydrophobicContact CG-CG1 4.24Å |
| 26 | L | 93.9 | Very high | 95.6 | Very high | 157 Ų | 157 | 71 Ų | 71 | 82% | 0.822 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -101.2 | -10.9 | 179.3 | -66.9 | 173.7 | 0 | 0 | 0 | 112.6 | G22 S23 L24 | G22-L26 WeakPolarHBondContact O-CG 3.31Å; G22-L26 PolarHBondContact O-N 3.31Å; S23-L26 PolarHBondContact O-N 3.38Å; S23-L26 VanDerWaalsContact O-N 3.1Å; L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 2.96Å |
| 27 | A | 94 | Very high | 95.7 | Very high | 27 Ų | 27 | 73.4 Ų | 73.4 | 22% | 0.223 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -68.7 | 151.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S23 L24 S29 L32 | S23-A27 PolarHBondContact O-N 2.79Å; L24-A27 PolarHBondContact O-N 3.16Å; A27-S29 PolarHBondContact O-N 3.05Å; A27-L32 HydrophobicContact CB-CD1 4.06Å; A27-L32 HydrophobicContact CB-CD2 4Å; A27-L32 HydrophobicContact CB-CG 3.99Å |
| 28 | D | 94.5 | Very high | 95.8 | Very high | 91 Ų | 91 | 73.6 Ų | 73.6 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | trans | -67.3 | 126 | 174 | -179.4 | 5 | 0 | 0 | 0 | 109.8 | N30 D31 L32 | D28-N30 PolarHBondContact O-N 3.04Å; D28-N30 PolarHBondContact OD1-N 3.47Å; D28-D31 HydrophobicContact CB-CB 4.18Å; D28-D31 PolarHBondContact O-N 3.01Å; D28-D31 VanDerWaalsContact O-N 3.16Å; D28-L32 PolarHBondContact O-N 3.3Å | ||
| 29 | S | 93.2 | Very high | 96 | Very high | 87 Ų | 87 | 65.4 Ų | 65.4 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.6 | -32.8 | 176 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | A27 Q33 | A27-S29 PolarHBondContact O-N 3.05Å; S29-Q33 WeakPolarHBondContact O-CB 3.36Å; S29-Q33 PolarHBondContact O-N 3.21Å |
| 30 | N | 95.5 | Very high | 96.1 | Very high | 118 Ų | 118 | 59.4 Ų | 59.4 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.1 | -42.4 | 177.8 | -67.4 | -41.9 | 0 | 0 | 0 | 111.3 | D28 Q33 E34 | D28-N30 PolarHBondContact O-N 3.04Å; D28-N30 PolarHBondContact OD1-N 3.47Å; N30-Q33 PolarHBondContact O-N 3.35Å; N30-E34 PolarHBondContact O-N 2.92Å |
| 31 | D | 96.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 63 Ų | 63 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 174.9 | 178.2 | 67.3 | 0 | 0 | 0 | 110.9 | D28 Q33 E34 Q35 R179 | D28-D31 HydrophobicContact CB-CB 4.18Å; D28-D31 PolarHBondContact O-N 3.01Å; D28-D31 VanDerWaalsContact O-N 3.16Å; D31-Q33 VanDerWaalsContact C-N 3.26Å; D31-Q33 PolarHBondContact O-N 3.1Å; D31-E34 PolarHBondContact O-N 3.07Å; D31-E34 VanDerWaalsContact O-N 3.15Å; D31-Q35 WeakPolarHBondContact O-CB 3.43Å; D31-Q35 VanDerWaalsContact O-CG 3.28Å; D31-Q35 WeakPolarHBondContact O-CG 3.43Å; D31-Q35 PolarHBondContact O-N 3.35Å; D31-Q35 PolarHBondContact OD2-NE2 3.15Å; D31-R179 IonicContact OD1-CZ 2.7Å; D31-R179 IonicContact OD1-NE 2.79Å; D31-R179 IonicContact OD1-NH2 2.65Å; D31-R179 PolarHBondContact OD1-NH2 3.22Å; D31-R179 IonicContact OD2-NE 3.1Å; D31-R179 IonicContact OD2-NH2 3.97Å |
| 32 | L | 96.7 | Very high | 96.4 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.9 | -35.6 | 176 | -66.3 | -176.9 | 0 | 0 | 0 | 112.6 | L24 A27 D28 S36 F178 | L24-L32 HydrophobicContact CD2-CD2 4.3Å; A27-L32 HydrophobicContact CB-CD1 4.06Å; A27-L32 HydrophobicContact CB-CD2 4Å; A27-L32 HydrophobicContact CB-CG 3.99Å; D28-L32 PolarHBondContact O-N 3.3Å; L32-S36 WeakPolarHBondContact O-CB 3.5Å; L32-S36 PolarHBondContact O-N 3.43Å; L32-S36 PolarHBondContact O-OG 2.9Å; L32-F178 HydrophobicContact CB-CE1 4.17Å; L32-F178 HydrophobicContact CB-CZ 4.15Å; L32-F178 HydrophobicContact CD2-CB 4.37Å; L32-F178 HydrophobicContact CD2-CD1 3.9Å; L32-F178 HydrophobicContact CD2-CD2 3.96Å; L32-F178 HydrophobicContact CD2-CE1 4.07Å; L32-F178 HydrophobicContact CD2-CE2 4.09Å; L32-F178 HydrophobicContact CD2-CG 3.83Å; L32-F178 HydrophobicContact CD2-CZ 4.14Å; L32-F178 VanDerWaalsContact O-CE1 3.27Å; L32-F178 WeakPolarHBondContact O-CE1 3.49Å |
| 33 | Q | 96.8 | Very high | 96.6 | Very high | 94 Ų | 94 | 64 Ų | 64 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.5 | -39.6 | 175.9 | -170.8 | 61.1 | 42.7 | 0 | 0 | 112.3 | S29 N30 D31 S36 T37 | S29-Q33 WeakPolarHBondContact O-CB 3.36Å; S29-Q33 PolarHBondContact O-N 3.21Å; N30-Q33 PolarHBondContact O-N 3.35Å; D31-Q33 VanDerWaalsContact C-N 3.26Å; D31-Q33 PolarHBondContact O-N 3.1Å; Q33-S36 PolarHBondContact O-N 3.48Å; Q33-T37 PolarHBondContact O-N 3.01Å; Q33-T37 PolarHBondContact O-OG1 2.72Å |
| 34 | E | 97.9 | Very high | 96.7 | Very high | 117 Ų | 117 | 65.5 Ų | 65.5 | 55% | 0.547 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 173.6 | -176.1 | 177.1 | -177.1 | 0 | 0 | 110.8 | N30 D31 S36 T37 I38 | N30-E34 PolarHBondContact O-N 2.92Å; D31-E34 PolarHBondContact O-N 3.07Å; D31-E34 VanDerWaalsContact O-N 3.15Å; E34-S36 VanDerWaalsContact C-N 3.31Å; E34-S36 PolarHBondContact O-N 3.28Å; E34-T37 WeakPolarHBondContact O-CB 3.44Å; E34-T37 PolarHBondContact O-N 2.73Å; E34-T37 VanDerWaalsContact O-N 3.08Å; E34-I38 HydrophobicContact CG-CD1 4.22Å; E34-I38 WeakPolarHBondContact O-CG1 3.15Å; E34-I38 PolarHBondContact O-N 3.34Å |
| 35 | Q | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 173.9 | -70.2 | -167.6 | 58.7 | 0 | 0 | 111.5 | D31 T37 I38 I39 F178 R179 E180 P201 | D31-Q35 WeakPolarHBondContact O-CB 3.43Å; D31-Q35 VanDerWaalsContact O-CG 3.28Å; D31-Q35 WeakPolarHBondContact O-CG 3.43Å; D31-Q35 PolarHBondContact O-N 3.35Å; D31-Q35 PolarHBondContact OD2-NE2 3.15Å; Q35-T37 VanDerWaalsContact C-N 3.28Å; Q35-T37 PolarHBondContact O-N 3.08Å; Q35-I38 PolarHBondContact O-N 2.98Å; Q35-I39 WeakPolarHBondContact O-CB 3.5Å; Q35-I39 WeakPolarHBondContact O-CD1 3.49Å; Q35-I39 WeakPolarHBondContact O-CG1 3.48Å; Q35-I39 PolarHBondContact O-N 3.1Å; Q35-F178 HydrophobicContact CB-CD1 3.7Å; Q35-F178 HydrophobicContact CB-CE1 4.05Å; Q35-F178 HydrophobicContact CG-CD1 4.46Å; Q35-F178 VanDerWaalsContact OE1-CA 3.27Å; Q35-R179 VanDerWaalsContact CD-NE 3.28Å; Q35-R179 VanDerWaalsContact CG-NH2 3.28Å; Q35-E180 PolarHBondContact NE2-OE2 3.35Å; Q35-E180 VanDerWaalsContact NE2-OE2 3.08Å; Q35-P201 HydrophobicContact CB-CB 4.49Å; Q35-P201 HydrophobicContact CB-CG 3.53Å; Q35-P201 HydrophobicContact CG-CB 4.3Å; Q35-P201 HydrophobicContact CG-CG 3.55Å; Q35-P201 VanDerWaalsContact OE1-CG 3.31Å |
| 36 | S | 98.3 | Very high | 97.2 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.4 | -39.6 | 177 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | L32 Q33 E34 I39 F40 D66 F178 | L32-S36 WeakPolarHBondContact O-CB 3.5Å; L32-S36 PolarHBondContact O-N 3.43Å; L32-S36 PolarHBondContact O-OG 2.9Å; Q33-S36 PolarHBondContact O-N 3.48Å; E34-S36 VanDerWaalsContact C-N 3.31Å; E34-S36 PolarHBondContact O-N 3.28Å; S36-I39 PolarHBondContact O-N 3.3Å; S36-F40 WeakPolarHBondContact O-CB 3.35Å; S36-F40 PolarHBondContact O-N 3.46Å; S36-D66 PolarHBondContact OG-N 3.02Å; S36-F178 WeakPolarHBondContact OG-CE1 3.2Å |
| 37 | T | 98.4 | Very high | 97.4 | Very high | 81 Ų | 81 | 58.9 Ų | 58.9 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 177.8 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | Q33 E34 Q35 F40 S41 | Q33-T37 PolarHBondContact O-N 3.01Å; Q33-T37 PolarHBondContact O-OG1 2.72Å; E34-T37 WeakPolarHBondContact O-CB 3.44Å; E34-T37 PolarHBondContact O-N 2.73Å; E34-T37 VanDerWaalsContact O-N 3.08Å; Q35-T37 VanDerWaalsContact C-N 3.28Å; Q35-T37 PolarHBondContact O-N 3.08Å; T37-F40 PolarHBondContact O-N 2.97Å; T37-S41 PolarHBondContact O-N 3.21Å |
| 38 | I | 98.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 58.2 Ų | 58.2 | 28% | 0.282 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 176.8 | -64.4 | 166.6 | 0 | 0 | 0 | 110.5 | E34 Q35 F40 S41 K42 P201 | E34-I38 HydrophobicContact CG-CD1 4.22Å; E34-I38 WeakPolarHBondContact O-CG1 3.15Å; E34-I38 PolarHBondContact O-N 3.34Å; Q35-I38 PolarHBondContact O-N 2.98Å; I38-F40 VanDerWaalsContact C-N 3.33Å; I38-F40 PolarHBondContact O-N 3.39Å; I38-S41 WeakPolarHBondContact O-CB 3.16Å; I38-S41 PolarHBondContact O-N 2.92Å; I38-K42 HydrophobicContact CG2-CD 4.39Å; I38-K42 WeakPolarHBondContact O-CG 3.32Å; I38-K42 PolarHBondContact O-N 3Å; I38-P201 HydrophobicContact CB-CB 4.42Å; I38-P201 HydrophobicContact CD1-CB 4.34Å; I38-P201 HydrophobicContact CG2-CB 4.21Å; I38-P201 WeakPolarHBondContact CG2-OXT 3.35Å |
| 39 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 178.7 | -68.8 | 164 | 0 | 0 | 0 | 110.6 | Q35 S36 S41 K42 L43 V65 L176 A177 F178 I199 P201 | Q35-I39 WeakPolarHBondContact O-CB 3.5Å; Q35-I39 WeakPolarHBondContact O-CD1 3.49Å; Q35-I39 WeakPolarHBondContact O-CG1 3.48Å; Q35-I39 PolarHBondContact O-N 3.1Å; S36-I39 PolarHBondContact O-N 3.3Å; I39-S41 PolarHBondContact O-N 3.46Å; I39-K42 PolarHBondContact O-N 3.01Å; I39-L43 WeakPolarHBondContact O-CB 3.48Å; I39-L43 PolarHBondContact O-N 3.12Å; I39-V65 HydrophobicContact CB-CG1 4.29Å; I39-V65 HydrophobicContact CD1-CG1 4.04Å; I39-V65 HydrophobicContact CD1-CG2 3.61Å; I39-V65 HydrophobicContact CG2-CG1 3.98Å; I39-L176 HydrophobicContact CG2-CB 4.13Å; I39-L176 HydrophobicContact CG2-CD1 4.37Å; I39-L176 HydrophobicContact CG2-CD2 3.76Å; I39-L176 HydrophobicContact CG2-CG 4.29Å; I39-A177 VanDerWaalsContact CD1-O 3.31Å; I39-A177 WeakPolarHBondContact CD1-O 3.43Å; I39-F178 HydrophobicContact CD1-CD1 4.35Å; I39-I199 HydrophobicContact CB-CG2 4.46Å; I39-I199 HydrophobicContact CG2-CG2 3.98Å; I39-P201 HydrophobicContact CD1-CG 4.09Å; I39-P201 HydrophobicContact CG1-CG 4.08Å |
| 40 | F | 98.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 53.5 Ų | 53.5 | 16% | 0.162 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.7 | 173.8 | -122.6 | 0 | 0 | 0 | 112 | S36 T37 I38 K42 L43 K44 P69 I70 D73 | S36-F40 WeakPolarHBondContact O-CB 3.35Å; S36-F40 PolarHBondContact O-N 3.46Å; T37-F40 PolarHBondContact O-N 2.97Å; I38-F40 VanDerWaalsContact C-N 3.33Å; I38-F40 PolarHBondContact O-N 3.39Å; F40-K42 PolarHBondContact O-N 3.33Å; F40-L43 PolarHBondContact O-N 3.36Å; F40-K44 HydrophobicContact CE1-CD 4.25Å; F40-K44 HydrophobicContact CE2-CB 4.29Å; F40-K44 HydrophobicContact CE2-CD 4.45Å; F40-K44 HydrophobicContact CZ-CD 3.89Å; F40-K44 VanDerWaalsContact O-CB 3.22Å; F40-K44 WeakPolarHBondContact O-CB 3.43Å; F40-K44 PolarHBondContact O-N 3.08Å; F40-P69 HydrophobicContact CD1-CB 3.73Å; F40-P69 HydrophobicContact CD2-CB 4.08Å; F40-P69 HydrophobicContact CE1-CB 3.71Å; F40-P69 HydrophobicContact CE2-CB 4.07Å; F40-P69 HydrophobicContact CG-CB 3.91Å; F40-P69 HydrophobicContact CZ-CB 3.88Å; F40-P69 WeakPolarHBondContact CZ-O 3.39Å; F40-I70 HydrophobicContact CD2-CG1 3.69Å; F40-I70 HydrophobicContact CE2-CG1 4.13Å; F40-D73 HydrophobicContact CE2-CB 3.99Å; F40-D73 HydrophobicContact CZ-CB 3.89Å |
| 41 | S | 98.7 | Very high | 98.2 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 55% | 0.552 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.8 | -47.5 | 176.3 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | T37 I38 I39 K44 S45 | T37-S41 PolarHBondContact O-N 3.21Å; I38-S41 WeakPolarHBondContact O-CB 3.16Å; I38-S41 PolarHBondContact O-N 2.92Å; I39-S41 PolarHBondContact O-N 3.46Å; S41-K44 PolarHBondContact O-N 3.37Å; S41-S45 PolarHBondContact O-N 2.92Å; S41-S45 PolarHBondContact O-OG 3.25Å |
| 42 | K | 98.7 | Very high | 98.3 | Very high | 82 Ų | 82 | 50 Ų | 50 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.2 | -50 | 175.6 | -70 | -178.6 | -176.6 | -178 | 0 | 111.6 | I38 I39 F40 K44 S45 H46 I199 S200 P201 | I38-K42 HydrophobicContact CG2-CD 4.39Å; I38-K42 WeakPolarHBondContact O-CG 3.32Å; I38-K42 PolarHBondContact O-N 3Å; I39-K42 PolarHBondContact O-N 3.01Å; F40-K42 PolarHBondContact O-N 3.33Å; K42-K44 PolarHBondContact O-N 3.34Å; K42-S45 PolarHBondContact O-N 2.96Å; K42-S45 PolarHBondContact O-OG 3.47Å; K42-H46 PolarHBondContact O-N 3.49Å; K42-H46 VanDerWaalsContact O-N 3.15Å; K42-I199 HydrophobicContact CB-CG2 3.65Å; K42-I199 HydrophobicContact CD-CG2 3.96Å; K42-I199 HydrophobicContact CG-CG2 4.45Å; K42-S200 WeakPolarHBondContact CD-O 3.39Å; K42-S200 PolarHBondContact NZ-O 3.38Å; K42-P201 WeakPolarHBondContact CE-OXT 3.24Å; K42-P201 PolarHBondContact NZ-O 3.29Å; K42-P201 VanDerWaalsContact NZ-O 3.12Å; K42-P201 PolarHBondContact NZ-OXT 2.81Å |
| 43 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 178.8 | 178.1 | 67 | 0 | 0 | 0 | 111.9 | I39 F40 S45 H46 Y49 I70 I136 I174 L176 I199 | I39-L43 WeakPolarHBondContact O-CB 3.48Å; I39-L43 PolarHBondContact O-N 3.12Å; F40-L43 PolarHBondContact O-N 3.36Å; L43-S45 PolarHBondContact O-N 3.07Å; L43-S45 VanDerWaalsContact O-N 3.17Å; L43-H46 VanDerWaalsContact O-CB 3.26Å; L43-H46 WeakPolarHBondContact O-CB 3.48Å; L43-H46 PolarHBondContact O-N 3.38Å; L43-Y49 HydrophobicContact CD1-CD2 3.97Å; L43-Y49 HydrophobicContact CD1-CG 4.07Å; L43-Y49 HydrophobicContact CD2-CD2 4.32Å; L43-Y49 HydrophobicContact CD2-CE2 4.36Å; L43-Y49 HydrophobicContact CG-CD2 3.99Å; L43-Y49 HydrophobicContact CG-CE2 4.4Å; L43-Y49 HydrophobicContact CG-CG 4.08Å; L43-Y49 WeakPolarHBondContact O-CB 3.35Å; L43-Y49 WeakPolarHBondContact O-CD1 3.37Å; L43-I70 HydrophobicContact CD2-CD1 3.5Å; L43-I70 VanDerWaalsContact CD2-CD1 3.5Å; L43-I70 HydrophobicContact CD2-CG1 3.84Å; L43-I70 HydrophobicContact CD2-CG2 4.08Å; L43-I136 HydrophobicContact CD1-CD1 3.82Å; L43-I136 HydrophobicContact CD2-CD1 4.06Å; L43-I174 HydrophobicContact CD1-CD1 3.85Å; L43-I174 HydrophobicContact CD1-CG2 4.2Å; L43-L176 HydrophobicContact CD2-CD1 4.49Å; L43-L176 HydrophobicContact CD2-CD2 4.36Å; L43-I199 HydrophobicContact CB-CD1 3.95Å; L43-I199 HydrophobicContact CD1-CD1 3.91Å |
| 44 | K | 98.2 | Very high | 98.4 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -27.1 | -178.1 | -175.3 | 175.6 | 175.1 | 169.7 | 0 | 112.8 | F40 S41 K42 L50 D73 R77 | F40-K44 HydrophobicContact CE1-CD 4.25Å; F40-K44 HydrophobicContact CE2-CB 4.29Å; F40-K44 HydrophobicContact CE2-CD 4.45Å; F40-K44 HydrophobicContact CZ-CD 3.89Å; F40-K44 VanDerWaalsContact O-CB 3.22Å; F40-K44 WeakPolarHBondContact O-CB 3.43Å; F40-K44 PolarHBondContact O-N 3.08Å; S41-K44 PolarHBondContact O-N 3.37Å; K42-K44 PolarHBondContact O-N 3.34Å; K44-L50 WeakPolarHBondContact O-CD2 3.47Å; K44-D73 WeakPolarHBondContact CE-OD1 3.31Å; K44-D73 IonicContact NZ-OD1 3.95Å; K44-D73 PolarHBondContact NZ-OD1 3.46Å; K44-R77 VanDerWaalsContact CG-NH2 3.3Å; K44-R77 PolarHBondContact O-NH2 3.45Å |
| 45 | S | 98.3 | Very high | 98.5 | Very high | 82 Ų | 82 | 46.3 Ų | 46.3 | 57% | 0.573 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -93 | -7.8 | 175.1 | 71.6 | 0 | 0 | 0 | 0 | 114.5 | S41 K42 L43 | S41-S45 PolarHBondContact O-N 2.92Å; S41-S45 PolarHBondContact O-OG 3.25Å; K42-S45 PolarHBondContact O-N 2.96Å; K42-S45 PolarHBondContact O-OG 3.47Å; L43-S45 PolarHBondContact O-N 3.07Å; L43-S45 VanDerWaalsContact O-N 3.17Å |
| 46 | H | 98.6 | Very high | 98.5 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | trans | -72 | 132 | -172.2 | -167.7 | -85.4 | 0 | 0 | 0 | 111.8 | K42 L43 A48 Y49 L50 F197 | K42-H46 PolarHBondContact O-N 3.49Å; K42-H46 VanDerWaalsContact O-N 3.15Å; L43-H46 VanDerWaalsContact O-CB 3.26Å; L43-H46 WeakPolarHBondContact O-CB 3.48Å; L43-H46 PolarHBondContact O-N 3.38Å; H46-A48 VanDerWaalsContact C-N 3.35Å; H46-A48 WeakPolarHBondContact ND1-CB 3.27Å; H46-A48 PolarHBondContact ND1-N 3Å; H46-A48 PolarHBondContact O-N 3.08Å; H46-Y49 PolarHBondContact O-N 3Å; H46-L50 PolarHBondContact O-N 2.93Å; H46-F197 AromaticContact CE1-CD2 3.95Å; H46-F197 AromaticContact CE1-CE2 3.98Å; H46-F197 AromaticContact NE2-CD1 3.87Å; H46-F197 AromaticContact NE2-CG 3.99Å | ||
| 47 | P | 98.3 | Very high | 98.5 | Very high | 97 Ų | 97 | 46 Ų | 46 | 63% | 0.63 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -55.4 | -43.5 | -176.9 | -28.4 | 35.2 | 0 | 0 | 0 | 114.2 | Y49 L50 A51 | P47-Y49 VanDerWaalsContact C-N 3.32Å; P47-Y49 PolarHBondContact O-N 3.1Å; P47-L50 PolarHBondContact O-N 2.71Å; P47-A51 WeakPolarHBondContact O-CB 3.37Å; P47-A51 PolarHBondContact O-N 2.7Å |
| 48 | A | 98.1 | Very high | 98.4 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -37.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H46 S52 L172 I174 F197 | H46-A48 VanDerWaalsContact C-N 3.35Å; H46-A48 WeakPolarHBondContact ND1-CB 3.27Å; H46-A48 PolarHBondContact ND1-N 3Å; H46-A48 PolarHBondContact O-N 3.08Å; A48-S52 WeakPolarHBondContact O-CB 3.39Å; A48-S52 PolarHBondContact O-N 2.65Å; A48-S52 VanDerWaalsContact O-N 3.16Å; A48-S52 PolarHBondContact O-OG 3.06Å; A48-L172 HydrophobicContact CB-CD1 4.02Å; A48-I174 HydrophobicContact CB-CD1 4.38Å; A48-F197 HydrophobicContact CB-CE2 4.42Å |
| 49 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.7 | -41.2 | 178.1 | 177.7 | -99.3 | 0 | 0 | 0 | 111.4 | L43 H46 P47 I70 D73 L74 K79 L134 | L43-Y49 HydrophobicContact CD1-CD2 3.97Å; L43-Y49 HydrophobicContact CD1-CG 4.07Å; L43-Y49 HydrophobicContact CD2-CD2 4.32Å; L43-Y49 HydrophobicContact CD2-CE2 4.36Å; L43-Y49 HydrophobicContact CG-CD2 3.99Å; L43-Y49 HydrophobicContact CG-CE2 4.4Å; L43-Y49 HydrophobicContact CG-CG 4.08Å; L43-Y49 WeakPolarHBondContact O-CB 3.35Å; L43-Y49 WeakPolarHBondContact O-CD1 3.37Å; H46-Y49 PolarHBondContact O-N 3Å; P47-Y49 VanDerWaalsContact C-N 3.32Å; P47-Y49 PolarHBondContact O-N 3.1Å; Y49-I70 HydrophobicContact CE2-CG2 4.15Å; Y49-D73 VanDerWaalsContact CE1-OD2 3.26Å; Y49-D73 WeakPolarHBondContact CE1-OD2 3.19Å; Y49-D73 PolarHBondContact OH-OD2 2.76Å; Y49-L74 HydrophobicContact CE2-CD2 3.7Å; Y49-L74 HydrophobicContact CE2-CG 4.45Å; Y49-L74 WeakPolarHBondContact OH-CD2 3.38Å; Y49-K79 PolarHBondContact O-NZ 3.01Å; Y49-L134 HydrophobicContact CD2-CD2 3.88Å; Y49-L134 HydrophobicContact CG-CD2 4.48Å |
| 50 | L | 98.5 | Very high | 98 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 41% | 0.408 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.1 | -68.2 | 173.3 | 0 | 0 | 0 | 111.8 | K44 H46 P47 K79 | K44-L50 WeakPolarHBondContact O-CD2 3.47Å; H46-L50 PolarHBondContact O-N 2.93Å; P47-L50 PolarHBondContact O-N 2.71Å; L50-K79 PolarHBondContact O-NZ 3.06Å |
| 51 | A | 98.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 68% | 0.678 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -74.6 | -22.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P47 | P47-A51 WeakPolarHBondContact O-CB 3.37Å; P47-A51 PolarHBondContact O-N 2.7Å |
| 52 | S | 98.5 | Very high | 96.7 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | trans | -79.6 | 129.7 | -175.2 | -66 | 0 | 0 | 0 | 0 | 112.5 | A48 K79 L134 | A48-S52 WeakPolarHBondContact O-CB 3.39Å; A48-S52 PolarHBondContact O-N 2.65Å; A48-S52 VanDerWaalsContact O-N 3.16Å; A48-S52 PolarHBondContact O-OG 3.06Å; S52-K79 WeakPolarHBondContact O-CD 3.43Å; S52-K79 WeakPolarHBondContact O-CE 3.19Å; S52-K79 PolarHBondContact O-NZ 3.41Å; S52-L134 VanDerWaalsContact OG-CB 3.28Å; S52-L134 WeakPolarHBondContact OG-CB 3.26Å | ||
| 53 | E | 98.3 | Very high | 96.1 | Very high | 131 Ų | 131 | 41.6 Ų | 41.6 | 61% | 0.612 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -93.9 | -36.6 | 178.5 | -67.1 | -178.6 | 176.5 | 0 | 0 | 112 | K79 V80 D133 | E53-K79 WeakPolarHBondContact O-CB 3.41Å; E53-V80 PolarHBondContact O-N 3.21Å; E53-D133 PolarHBondContact N-OD2 2.66Å |
| 54 | R | 98.3 | Very high | 95.9 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 105 | -178.7 | -60 | 175.4 | 62.4 | 88 | -8.9 | 109.3 | V80 F82 E124 S129 G131 D133 L134 | R54-V80 HydrophobicContact CG-CB 4.09Å; R54-V80 HydrophobicContact CG-CG2 4.26Å; R54-F82 HydrophobicContact CB-CE2 4.26Å; R54-E124 IonicContact CZ-OE1 2.98Å; R54-E124 IonicContact NH1-OE1 3.38Å; R54-E124 PolarHBondContact NH1-OE1 2.65Å; R54-E124 IonicContact NH2-OE1 3.69Å; R54-E124 PolarHBondContact NH2-OE1 2.83Å; R54-S129 PolarHBondContact NH2-OG 3.06Å; R54-G131 PolarHBondContact NE-O 2.93Å; R54-G131 PolarHBondContact NH2-O 3.23Å; R54-D133 PolarHBondContact N-OD2 2.87Å; R54-D133 PolarHBondContact O-N 3Å; R54-L134 PolarHBondContact O-N 3.01Å |
| 55 | V | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.3 | -171.3 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | L74 K79 V80 F82 L134 I136 | V55-L74 HydrophobicContact CB-CD1 4.09Å; V55-L74 HydrophobicContact CB-CD2 3.69Å; V55-L74 HydrophobicContact CG1-CD1 4.08Å; V55-L74 HydrophobicContact CG1-CD2 3.97Å; V55-L74 HydrophobicContact CG2-CD2 3.78Å; V55-K79 HydrophobicContact CG2-CD 4.4Å; V55-V80 PolarHBondContact N-O 2.76Å; V55-F82 PolarHBondContact O-N 2.84Å; V55-L134 WeakPolarHBondContact CA-O 3.45Å; V55-L134 HydrophobicContact CG1-CB 4.43Å; V55-L134 HydrophobicContact CG1-CD2 4.23Å; V55-L134 HydrophobicContact CG1-CG 4.25Å; V55-L134 HydrophobicContact CG2-CB 4.4Å; V55-I136 HydrophobicContact CG1-CG1 4.1Å |
| 56 | S | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 133.3 | 167.1 | 180 | 0 | 0 | 0 | 0 | 110.4 | F82 M95 L134 I136 | S56-F82 CarbonylContact C-O 3.54Å; S56-F82 VanDerWaalsContact CA-O 3.3Å; S56-F82 WeakPolarHBondContact CA-O 3.26Å; S56-M95 WeakPolarHBondContact OG-CE 3.46Å; S56-M95 PolarHBondContact OG-SD 2.9Å; S56-L134 PolarHBondContact N-O 3.46Å; S56-I136 WeakPolarHBondContact O-CB 3.38Å; S56-I136 PolarHBondContact O-N 3.19Å |
| 57 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 135 | 175.6 | 61.6 | 0 | 0 | 0 | 0 | 110.2 | T67 I70 V71 L74 F82 P84 I136 | V57-T67 HydrophobicContact CG2-CG2 4.09Å; V57-I70 HydrophobicContact CG2-CB 4.37Å; V57-I70 HydrophobicContact CG2-CG2 4.07Å; V57-V71 HydrophobicContact CG1-CG2 3.77Å; V57-L74 HydrophobicContact CB-CD1 4.4Å; V57-L74 HydrophobicContact CG1-CD1 3.89Å; V57-F82 PolarHBondContact N-O 3.34Å; V57-P84 VanDerWaalsContact O-CD 3.28Å; V57-P84 WeakPolarHBondContact O-CD 3.42Å; V57-I136 HydrophobicContact CB-CB 4.35Å; V57-I136 HydrophobicContact CB-CG1 4.44Å; V57-I136 HydrophobicContact CG2-CB 4.24Å; V57-I136 HydrophobicContact CG2-CG1 4.5Å; V57-I136 HydrophobicContact CG2-CG2 4.39Å |
| 58 | Y | 96.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 34 Ų | 34 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | trans | -74.9 | 151.3 | 173.4 | 68.5 | -87.7 | 0 | 0 | 0 | 110.2 | E64 V65 T67 I136 P138 L176 | Y58-E64 HydrophobicContact CE2-CB 3.84Å; Y58-E64 HydrophobicContact CE2-CG 4.33Å; Y58-V65 PolarHBondContact OH-O 2.79Å; Y58-T67 HydrophobicContact CD1-CG2 4.14Å; Y58-T67 HydrophobicContact CD2-CG2 4Å; Y58-T67 HydrophobicContact CE1-CG2 3.69Å; Y58-T67 HydrophobicContact CE2-CG2 3.5Å; Y58-T67 HydrophobicContact CG-CG2 4.29Å; Y58-T67 WeakPolarHBondContact O-CB 3.18Å; Y58-T67 PolarHBondContact O-OG1 3.2Å; Y58-I136 HydrophobicContact CD1-CG2 4.3Å; Y58-I136 HydrophobicContact CE1-CG2 4.05Å; Y58-P138 HydrophobicContact CD1-CB 3.73Å; Y58-P138 HydrophobicContact CD1-CG 3.92Å; Y58-P138 HydrophobicContact CD2-CB 4Å; Y58-P138 HydrophobicContact CD2-CG 4.45Å; Y58-P138 HydrophobicContact CE1-CB 3.86Å; Y58-P138 HydrophobicContact CE2-CB 4.14Å; Y58-P138 HydrophobicContact CG-CB 3.79Å; Y58-P138 HydrophobicContact CG-CG 3.87Å; Y58-L176 HydrophobicContact CE1-CD1 4.46Å | ||
| 59 | L | 95.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 11% | 0.105 | 21% | 0.209 | C | C | . | . | trans | -92.4 | 109.6 | 173.7 | -57.3 | -172.6 | 0 | 0 | 0 | 107.9 | V71 V83 V104 L107 R115 | L59-V71 HydrophobicContact CD2-CG2 4.09Å; L59-V83 HydrophobicContact CD1-CG1 4.3Å; L59-V83 HydrophobicContact CD2-CG1 3.85Å; L59-V83 HydrophobicContact CG-CB 4.38Å; L59-V83 HydrophobicContact CG-CG1 4.09Å; L59-V104 HydrophobicContact CD1-CG1 3.88Å; L59-V104 HydrophobicContact CD2-CG1 3.7Å; L59-V104 HydrophobicContact CG-CG1 4.49Å; L59-L107 HydrophobicContact CD1-CD1 3.66Å; L59-R115 HydrophobicContact CB-CB 4.26Å; L59-R115 HydrophobicContact CD1-CB 3.66Å; L59-R115 WeakPolarHBondContact CD1-O 3.31Å | ||
| 60 | S | 92.9 | Very high | 95.7 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 23% | 0.231 | 21% | 0.21 | C | C | . | . | trans | -62.9 | 135.8 | -167.1 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | V65 T67 | S60-V65 WeakPolarHBondContact CB-O 3.12Å; S60-T67 PolarHBondContact N-OG1 3.38Å; S60-T67 PolarHBondContact OG-N 2.97Å; S60-T67 VanDerWaalsContact OG-N 3.15Å; S60-T67 PolarHBondContact OG-OG1 2.86Å | ||
| 61 | T | 88.3 | Confident | 95.7 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 14% | 0.135 | 19% | 0.191 | C | C | . | . | trans | -80.8 | 168 | 163.6 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | V63 E64 I114 | T61-V63 PolarHBondContact O-N 3.45Å; T61-E64 WeakPolarHBondContact CB-OE2 3.31Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.36Å; T61-E64 PolarHBondContact N-OE2 3.46Å; T61-E64 PolarHBondContact O-N 3.1Å; T61-E64 VanDerWaalsContact OG1-CD 3.3Å; T61-E64 WeakPolarHBondContact OG1-CG 3.45Å; T61-E64 PolarHBondContact OG1-OE2 3.43Å; T61-I114 HydrophobicContact CG2-CG1 3.71Å | ||
| 62 | P | 82.8 | Confident | 95.7 | Very high | 115 Ų | 115 | 34.7 Ų | 34.7 | 75% | 0.747 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -12.3 | 179.7 | -26.7 | 36 | 0 | 0 | 0 | 116.2 | ||
| 63 | V | 86.1 | Confident | 95.7 | Very high | 42 Ų | 42 | 35.2 Ų | 35.2 | 26% | 0.255 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 16.1 | 178.7 | -63.3 | 0 | 0 | 0 | 0 | 112.1 | L24 R25 T61 | L24-V63 HydrophobicContact CB-CB 4.46Å; L24-V63 WeakPolarHBondContact CD1-O 3.49Å; R25-V63 HydrophobicContact CG-CG1 4.24Å; T61-V63 PolarHBondContact O-N 3.45Å |
| 64 | E | 95 | Very high | 95.7 | Very high | 25 Ų | 25 | 29 Ų | 29 | 12% | 0.117 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -118.1 | 163.6 | 174 | -69.5 | 169.8 | 138.2 | 0 | 0 | 109.7 | Y58 T61 D66 P138 F178 | Y58-E64 HydrophobicContact CE2-CB 3.84Å; Y58-E64 HydrophobicContact CE2-CG 4.33Å; T61-E64 WeakPolarHBondContact CB-OE2 3.31Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.36Å; T61-E64 PolarHBondContact N-OE2 3.46Å; T61-E64 PolarHBondContact O-N 3.1Å; T61-E64 VanDerWaalsContact OG1-CD 3.3Å; T61-E64 WeakPolarHBondContact OG1-CG 3.45Å; T61-E64 PolarHBondContact OG1-OE2 3.43Å; E64-D66 PolarHBondContact O-N 3.18Å; E64-P138 WeakPolarHBondContact OE1-CB 3.24Å; E64-F178 WeakPolarHBondContact O-CZ 3.42Å |
| 65 | V | 97.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | trans | -58 | 130.1 | 172.4 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | I39 Y58 S60 T67 L176 F178 | I39-V65 HydrophobicContact CB-CG1 4.29Å; I39-V65 HydrophobicContact CD1-CG1 4.04Å; I39-V65 HydrophobicContact CD1-CG2 3.61Å; I39-V65 HydrophobicContact CG2-CG1 3.98Å; Y58-V65 PolarHBondContact OH-O 2.79Å; S60-V65 WeakPolarHBondContact CB-O 3.12Å; V65-T67 WeakPolarHBondContact O-CG2 3.44Å; V65-T67 PolarHBondContact O-N 3.31Å; V65-T67 VanDerWaalsContact O-N 3.1Å; V65-L176 HydrophobicContact CB-CB 4.11Å; V65-L176 HydrophobicContact CG1-CB 4.31Å; V65-L176 HydrophobicContact CG1-CD1 4.28Å; V65-L176 HydrophobicContact CG2-CB 4.03Å; V65-F178 VanDerWaalsContact CA-CZ 3.48Å; V65-F178 HydrophobicContact CB-CE1 4.42Å; V65-F178 HydrophobicContact CB-CZ 4.3Å; V65-F178 HydrophobicContact CG2-CD1 4Å; V65-F178 HydrophobicContact CG2-CD2 4.31Å; V65-F178 HydrophobicContact CG2-CE1 3.83Å; V65-F178 HydrophobicContact CG2-CE2 4.18Å; V65-F178 HydrophobicContact CG2-CG 4.25Å; V65-F178 HydrophobicContact CG2-CZ 3.95Å | ||
| 66 | D | 96.9 | Very high | 95.6 | Very high | 38 Ų | 38 | 33 Ų | 33 | 20% | 0.203 | 20% | 0.199 | C | C | . | . | trans | -62.6 | 114.5 | 179.8 | 176.5 | 21 | 0 | 0 | 0 | 110.6 | S36 E64 T68 | S36-D66 PolarHBondContact OG-N 3.02Å; E64-D66 PolarHBondContact O-N 3.18Å; D66-T68 WeakPolarHBondContact OD1-CB 3.43Å; D66-T68 PolarHBondContact OD1-N 3.3Å; D66-T68 PolarHBondContact OD1-OG1 3.28Å | ||
| 67 | T | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | trans | -95.3 | -1.6 | -179.3 | 60 | 0 | 0 | 0 | 0 | 113.3 | V57 Y58 S60 V65 I70 V71 L176 | V57-T67 HydrophobicContact CG2-CG2 4.09Å; Y58-T67 HydrophobicContact CD1-CG2 4.14Å; Y58-T67 HydrophobicContact CD2-CG2 4Å; Y58-T67 HydrophobicContact CE1-CG2 3.69Å; Y58-T67 HydrophobicContact CE2-CG2 3.5Å; Y58-T67 HydrophobicContact CG-CG2 4.29Å; Y58-T67 WeakPolarHBondContact O-CB 3.18Å; Y58-T67 PolarHBondContact O-OG1 3.2Å; S60-T67 PolarHBondContact N-OG1 3.38Å; S60-T67 PolarHBondContact OG-N 2.97Å; S60-T67 VanDerWaalsContact OG-N 3.15Å; S60-T67 PolarHBondContact OG-OG1 2.86Å; V65-T67 WeakPolarHBondContact O-CG2 3.44Å; V65-T67 PolarHBondContact O-N 3.31Å; V65-T67 VanDerWaalsContact O-N 3.1Å; T67-I70 HydrophobicContact CG2-CD1 4.06Å; T67-I70 WeakPolarHBondContact O-CA 3.38Å; T67-I70 WeakPolarHBondContact O-CB 3.28Å; T67-I70 PolarHBondContact O-N 2.93Å; T67-V71 PolarHBondContact O-N 2.79Å; T67-L176 HydrophobicContact CG2-CD1 4.44Å | ||
| 68 | T | 96.2 | Very high | 95.5 | Very high | 78 Ų | 78 | 44.8 Ų | 44.8 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55 | -44.3 | 178.5 | -49.5 | 0 | 0 | 0 | 0 | 112.5 | D66 I70 V71 K72 | D66-T68 WeakPolarHBondContact OD1-CB 3.43Å; D66-T68 PolarHBondContact OD1-N 3.3Å; D66-T68 PolarHBondContact OD1-OG1 3.28Å; T68-I70 VanDerWaalsContact C-N 3.26Å; T68-I70 PolarHBondContact O-N 3.39Å; T68-V71 PolarHBondContact O-N 3.43Å; T68-K72 PolarHBondContact O-N 2.84Å; T68-K72 VanDerWaalsContact O-N 3.12Å |
| 69 | P | 97.9 | Very high | 95.6 | Very high | 41 Ų | 41 | 45.9 Ų | 45.9 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.5 | -30.9 | 176 | -23 | 35.6 | 0 | 0 | 0 | 113.4 | F40 D73 | F40-P69 HydrophobicContact CD1-CB 3.73Å; F40-P69 HydrophobicContact CD2-CB 4.08Å; F40-P69 HydrophobicContact CE1-CB 3.71Å; F40-P69 HydrophobicContact CE2-CB 4.07Å; F40-P69 HydrophobicContact CG-CB 3.91Å; F40-P69 HydrophobicContact CZ-CB 3.88Å; F40-P69 WeakPolarHBondContact CZ-O 3.39Å; P69-D73 WeakPolarHBondContact O-CB 3.1Å; P69-D73 PolarHBondContact O-N 3.44Å |
| 70 | I | 98.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.5 | -49.1 | 178.8 | -55.8 | 171.1 | 0 | 0 | 0 | 109.7 | F40 L43 Y49 V57 T67 T68 K72 D73 L74 L176 | F40-I70 HydrophobicContact CD2-CG1 3.69Å; F40-I70 HydrophobicContact CE2-CG1 4.13Å; L43-I70 HydrophobicContact CD2-CD1 3.5Å; L43-I70 VanDerWaalsContact CD2-CD1 3.5Å; L43-I70 HydrophobicContact CD2-CG1 3.84Å; L43-I70 HydrophobicContact CD2-CG2 4.08Å; Y49-I70 HydrophobicContact CE2-CG2 4.15Å; V57-I70 HydrophobicContact CG2-CB 4.37Å; V57-I70 HydrophobicContact CG2-CG2 4.07Å; T67-I70 HydrophobicContact CG2-CD1 4.06Å; T67-I70 WeakPolarHBondContact O-CA 3.38Å; T67-I70 WeakPolarHBondContact O-CB 3.28Å; T67-I70 PolarHBondContact O-N 2.93Å; T68-I70 VanDerWaalsContact C-N 3.26Å; T68-I70 PolarHBondContact O-N 3.39Å; I70-K72 VanDerWaalsContact C-N 3.27Å; I70-K72 PolarHBondContact O-N 3.32Å; I70-D73 PolarHBondContact O-N 3.49Å; I70-D73 VanDerWaalsContact O-N 3.1Å; I70-L74 HydrophobicContact CG2-CD1 4.39Å; I70-L74 HydrophobicContact CG2-CG 4.38Å; I70-L74 WeakPolarHBondContact O-CG 3.46Å; I70-L74 PolarHBondContact O-N 2.89Å; I70-L176 HydrophobicContact CD1-CD1 3.51Å |
| 71 | V | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.2 | -45.4 | 176.7 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | V57 L59 T67 T68 D73 L74 F75 L101 V104 | V57-V71 HydrophobicContact CG1-CG2 3.77Å; L59-V71 HydrophobicContact CD2-CG2 4.09Å; T67-V71 PolarHBondContact O-N 2.79Å; T68-V71 PolarHBondContact O-N 3.43Å; V71-D73 PolarHBondContact O-N 3.2Å; V71-L74 PolarHBondContact O-N 2.66Å; V71-F75 HydrophobicContact CG1-CD2 3.86Å; V71-F75 HydrophobicContact CG1-CE2 3.57Å; V71-F75 WeakPolarHBondContact O-CD2 3.28Å; V71-F75 PolarHBondContact O-N 3Å; V71-L101 HydrophobicContact CB-CD1 4.46Å; V71-L101 HydrophobicContact CG1-CD1 3.81Å; V71-V104 HydrophobicContact CG1-CB 4.32Å; V71-V104 HydrophobicContact CG1-CG1 4.2Å; V71-V104 HydrophobicContact CG1-CG2 4.03Å |
| 72 | K | 98.1 | Very high | 96.4 | Very high | 142 Ų | 142 | 43.6 Ų | 43.6 | 62% | 0.617 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.1 | -43.1 | 176.5 | -176.6 | 176.5 | 179.2 | 178.2 | 0 | 112.3 | T68 I70 G76 L101 | T68-K72 PolarHBondContact O-N 2.84Å; T68-K72 VanDerWaalsContact O-N 3.12Å; I70-K72 VanDerWaalsContact C-N 3.27Å; I70-K72 PolarHBondContact O-N 3.32Å; K72-G76 PolarHBondContact O-N 3.39Å; K72-L101 HydrophobicContact CB-CD2 4.36Å; K72-L101 HydrophobicContact CG-CD2 4.26Å |
| 73 | D | 98.6 | Very high | 97.1 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 9% | 0.091 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.3 | -37.7 | 179.3 | -173 | 85.2 | 0 | 0 | 0 | 112.5 | F40 K44 Y49 P69 I70 V71 G76 R77 | F40-D73 HydrophobicContact CE2-CB 3.99Å; F40-D73 HydrophobicContact CZ-CB 3.89Å; K44-D73 WeakPolarHBondContact CE-OD1 3.31Å; K44-D73 IonicContact NZ-OD1 3.95Å; K44-D73 PolarHBondContact NZ-OD1 3.46Å; Y49-D73 VanDerWaalsContact CE1-OD2 3.26Å; Y49-D73 WeakPolarHBondContact CE1-OD2 3.19Å; Y49-D73 PolarHBondContact OH-OD2 2.76Å; P69-D73 WeakPolarHBondContact O-CB 3.1Å; P69-D73 PolarHBondContact O-N 3.44Å; I70-D73 PolarHBondContact O-N 3.49Å; I70-D73 VanDerWaalsContact O-N 3.1Å; V71-D73 PolarHBondContact O-N 3.2Å; D73-G76 PolarHBondContact O-N 3.04Å; D73-R77 WeakPolarHBondContact O-CB 3.46Å; D73-R77 VanDerWaalsContact O-CG 3.28Å; D73-R77 WeakPolarHBondContact O-CG 3.3Å; D73-R77 PolarHBondContact O-N 3.01Å; D73-R77 IonicContact OD1-NE 2.83Å; D73-R77 PolarHBondContact OD1-NE 3.34Å; D73-R77 IonicContact OD1-NH2 2.84Å; D73-R77 VanDerWaalsContact OD2-CD 3.3Å; D73-R77 WeakPolarHBondContact OD2-CD 3.37Å; D73-R77 IonicContact OD2-CZ 3.82Å; D73-R77 IonicContact OD2-NE 3.72Å; D73-R77 PolarHBondContact OD2-NE 2.98Å; D73-R77 IonicContact OD2-NH2 2.65Å |
| 74 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -51.1 | 174.2 | -71.3 | 177.5 | 0 | 0 | 0 | 111.3 | Y49 V55 V57 I70 V71 R77 N78 K79 C81 | Y49-L74 HydrophobicContact CE2-CD2 3.7Å; Y49-L74 HydrophobicContact CE2-CG 4.45Å; Y49-L74 WeakPolarHBondContact OH-CD2 3.38Å; V55-L74 HydrophobicContact CB-CD1 4.09Å; V55-L74 HydrophobicContact CB-CD2 3.69Å; V55-L74 HydrophobicContact CG1-CD1 4.08Å; V55-L74 HydrophobicContact CG1-CD2 3.97Å; V55-L74 HydrophobicContact CG2-CD2 3.78Å; V57-L74 HydrophobicContact CB-CD1 4.4Å; V57-L74 HydrophobicContact CG1-CD1 3.89Å; I70-L74 HydrophobicContact CG2-CD1 4.39Å; I70-L74 HydrophobicContact CG2-CG 4.38Å; I70-L74 WeakPolarHBondContact O-CG 3.46Å; I70-L74 PolarHBondContact O-N 2.89Å; V71-L74 PolarHBondContact O-N 2.66Å; L74-R77 PolarHBondContact O-N 3.12Å; L74-N78 PolarHBondContact O-N 3.23Å; L74-K79 HydrophobicContact CB-CB 4.47Å; L74-K79 HydrophobicContact CD2-CB 4.06Å; L74-K79 HydrophobicContact CD2-CD 3.72Å; L74-K79 PolarHBondContact O-N 3.19Å; L74-C81 HydrophobicContact CD1-CB 4.3Å |
| 75 | F | 97.9 | Very high | 97.4 | Very high | 40 Ų | 40 | 35.6 Ų | 35.6 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 176.6 | -72.1 | -60.9 | 0 | 0 | 0 | 112 | V71 R77 N78 C81 M98 S100 L101 V104 | V71-F75 HydrophobicContact CG1-CD2 3.86Å; V71-F75 HydrophobicContact CG1-CE2 3.57Å; V71-F75 WeakPolarHBondContact O-CD2 3.28Å; V71-F75 PolarHBondContact O-N 3Å; F75-R77 PolarHBondContact O-N 3.11Å; F75-N78 PolarHBondContact O-N 3.48Å; F75-C81 HydrophobicContact CE1-CB 4.03Å; F75-C81 HydrophobicContact CE2-CB 4.31Å; F75-C81 HydrophobicContact CZ-CB 3.81Å; F75-M98 HydrophobicContact CZ-CB 3.9Å; F75-S100 WeakPolarHBondContact CE2-O 3.47Å; F75-S100 WeakPolarHBondContact CZ-O 3.43Å; F75-L101 HydrophobicContact CD2-CB 3.99Å; F75-L101 HydrophobicContact CE2-CB 4.37Å; F75-V104 HydrophobicContact CE2-CG2 4.06Å; F75-V104 HydrophobicContact CZ-CG2 4.34Å |
| 76 | G | 97.8 | Very high | 96.9 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 68% | 0.68 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62 | -22.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | K72 D73 | K72-G76 PolarHBondContact O-N 3.39Å; D73-G76 PolarHBondContact O-N 3.04Å |
| 77 | R | 97.5 | Very high | 95.9 | Very high | 95 Ų | 95 | 39.6 Ų | 39.6 | 36% | 0.358 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 7.8 | 175.6 | -67.4 | 176.1 | -177.1 | -100.6 | 12.2 | 113.7 | K44 D73 L74 F75 K79 | K44-R77 VanDerWaalsContact CG-NH2 3.3Å; K44-R77 PolarHBondContact O-NH2 3.45Å; D73-R77 WeakPolarHBondContact O-CB 3.46Å; D73-R77 VanDerWaalsContact O-CG 3.28Å; D73-R77 WeakPolarHBondContact O-CG 3.3Å; D73-R77 PolarHBondContact O-N 3.01Å; D73-R77 IonicContact OD1-NE 2.83Å; D73-R77 PolarHBondContact OD1-NE 3.34Å; D73-R77 IonicContact OD1-NH2 2.84Å; D73-R77 VanDerWaalsContact OD2-CD 3.3Å; D73-R77 WeakPolarHBondContact OD2-CD 3.37Å; D73-R77 IonicContact OD2-CZ 3.82Å; D73-R77 IonicContact OD2-NE 3.72Å; D73-R77 PolarHBondContact OD2-NE 2.98Å; D73-R77 IonicContact OD2-NH2 2.65Å; L74-R77 PolarHBondContact O-N 3.12Å; F75-R77 PolarHBondContact O-N 3.11Å; R77-K79 HydrophobicContact CB-CD 4.37Å; R77-K79 HydrophobicContact CB-CG 4.11Å; R77-K79 PolarHBondContact O-N 3.15Å |
| 78 | N | 97.3 | Very high | 94.5 | Very high | 152 Ų | 152 | 49.1 Ų | 49.1 | 81% | 0.813 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 30.1 | -174.7 | -59.1 | -48.6 | 0 | 0 | 0 | 114 | L74 F75 | L74-N78 PolarHBondContact O-N 3.23Å; F75-N78 PolarHBondContact O-N 3.48Å |
| 79 | K | 98.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 13% | 0.13 | 27% | 0.272 | C | S | . | . | trans | -78.8 | 156.3 | 172.5 | -66.8 | -179.7 | -177 | -64 | 0 | 110 | Y49 L50 S52 E53 V55 L74 R77 C81 | Y49-K79 PolarHBondContact O-NZ 3.01Å; L50-K79 PolarHBondContact O-NZ 3.06Å; S52-K79 WeakPolarHBondContact O-CD 3.43Å; S52-K79 WeakPolarHBondContact O-CE 3.19Å; S52-K79 PolarHBondContact O-NZ 3.41Å; E53-K79 WeakPolarHBondContact O-CB 3.41Å; V55-K79 HydrophobicContact CG2-CD 4.4Å; L74-K79 HydrophobicContact CB-CB 4.47Å; L74-K79 HydrophobicContact CD2-CB 4.06Å; L74-K79 HydrophobicContact CD2-CD 3.72Å; L74-K79 PolarHBondContact O-N 3.19Å; R77-K79 HydrophobicContact CB-CD 4.37Å; R77-K79 HydrophobicContact CB-CG 4.11Å; R77-K79 PolarHBondContact O-N 3.15Å; K79-C81 PolarHBondContact O-N 3.27Å | ||
| 80 | V | 98 | Very high | 91.8 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.17 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 113.9 | 174.9 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | E53 R54 V55 F82 R97 | E53-V80 PolarHBondContact O-N 3.21Å; R54-V80 HydrophobicContact CG-CB 4.09Å; R54-V80 HydrophobicContact CG-CG2 4.26Å; V55-V80 PolarHBondContact N-O 2.76Å; V80-F82 HydrophobicContact CB-CE2 4.15Å; V80-F82 HydrophobicContact CG1-CD2 4.11Å; V80-F82 HydrophobicContact CG1-CE2 3.36Å; V80-F82 HydrophobicContact CG1-CZ 3.89Å; V80-R97 HydrophobicContact CG1-CG 3.99Å |
| 81 | C | 98.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.9 | -178.8 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | L74 F75 K79 R97 M98 | L74-C81 HydrophobicContact CD1-CB 4.3Å; F75-C81 HydrophobicContact CE1-CB 4.03Å; F75-C81 HydrophobicContact CE2-CB 4.31Å; F75-C81 HydrophobicContact CZ-CB 3.81Å; K79-C81 PolarHBondContact O-N 3.27Å; C81-R97 WeakPolarHBondContact O-CA 3.41Å; C81-M98 HydrophobicContact CB-CB 4.47Å; C81-M98 PolarHBondContact O-N 3.46Å |
| 82 | F | 98.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 147.4 | 169.8 | -69.6 | -95.2 | 0 | 0 | 0 | 110.6 | R54 V55 S56 V57 V80 M95 V96 R97 E124 V132 | R54-F82 HydrophobicContact CB-CE2 4.26Å; V55-F82 PolarHBondContact O-N 2.84Å; S56-F82 CarbonylContact C-O 3.54Å; S56-F82 VanDerWaalsContact CA-O 3.3Å; S56-F82 WeakPolarHBondContact CA-O 3.26Å; V57-F82 PolarHBondContact N-O 3.34Å; V80-F82 HydrophobicContact CB-CE2 4.15Å; V80-F82 HydrophobicContact CG1-CD2 4.11Å; V80-F82 HydrophobicContact CG1-CE2 3.36Å; V80-F82 HydrophobicContact CG1-CZ 3.89Å; F82-M95 HydrophobicContact CB-CB 3.97Å; F82-M95 HydrophobicContact CD1-CB 4.37Å; F82-M95 WeakPolarHBondContact CD1-O 3.38Å; F82-V96 CarbonylContact C-O 3.58Å; F82-V96 VanDerWaalsContact CA-O 3.3Å; F82-V96 WeakPolarHBondContact CA-O 3.47Å; F82-V96 VanDerWaalsContact CD1-C 3.48Å; F82-R97 HydrophobicContact CD1-CB 4.11Å; F82-R97 HydrophobicContact CE1-CB 3.7Å; F82-R97 HydrophobicContact CZ-CB 4.06Å; F82-R97 HydrophobicContact CZ-CG 4.42Å; F82-E124 HydrophobicContact CE1-CG 4.46Å; F82-V132 HydrophobicContact CB-CG1 4.37Å; F82-V132 HydrophobicContact CD2-CG1 3.77Å; F82-V132 HydrophobicContact CE2-CG1 4.27Å; F82-V132 HydrophobicContact CG-CG1 4.02Å |
| 83 | V | 96.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 151 | 174.2 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | L59 L85 M95 V96 M98 P117 | L59-V83 HydrophobicContact CD1-CG1 4.3Å; L59-V83 HydrophobicContact CD2-CG1 3.85Å; L59-V83 HydrophobicContact CG-CB 4.38Å; L59-V83 HydrophobicContact CG-CG1 4.09Å; V83-L85 PolarHBondContact O-N 3.03Å; V83-M95 WeakPolarHBondContact O-CA 3.3Å; V83-V96 HydrophobicContact CG2-CG2 4.15Å; V83-V96 PolarHBondContact N-O 2.82Å; V83-V96 PolarHBondContact O-N 3.17Å; V83-M98 HydrophobicContact CB-CG 4.31Å; V83-M98 HydrophobicContact CG1-CG 3.71Å; V83-M98 HydrophobicContact CG2-CG 3.7Å; V83-M98 HydrophobicContact CG2-SD 3.59Å; V83-M98 VanDerWaalsContact CG2-SD 3.59Å; V83-P117 HydrophobicContact CG2-CG 4.47Å |
| 84 | P | 94.5 | Very high | 89.2 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 134.8 | 174.4 | -23.4 | 32.7 | 0 | 0 | 0 | 112.9 | V57 F86 M93 M95 Y156 | V57-P84 VanDerWaalsContact O-CD 3.28Å; V57-P84 WeakPolarHBondContact O-CD 3.42Å; P84-F86 HydrophobicContact CB-CE2 3.97Å; P84-F86 HydrophobicContact CB-CZ 4.05Å; P84-M93 HydrophobicContact CB-CG 4.2Å; P84-M93 HydrophobicContact CB-SD 3.89Å; P84-M95 VanDerWaalsContact CA-SD 3.53Å; P84-M95 HydrophobicContact CB-SD 3.96Å; P84-M95 HydrophobicContact CG-CE 4.26Å; P84-M95 HydrophobicContact CG-SD 3.75Å; P84-Y156 WeakPolarHBondContact CG-OH 3.1Å |
| 85 | L | 92.4 | Very high | 89 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 116.7 | 166.3 | 176.4 | 63.8 | 0 | 0 | 0 | 108.8 | V83 M93 D94 V96 P117 | V83-L85 PolarHBondContact O-N 3.03Å; L85-M93 WeakPolarHBondContact O-CA 3.22Å; L85-D94 PolarHBondContact N-O 2.92Å; L85-D94 PolarHBondContact O-N 3.26Å; L85-V96 HydrophobicContact CB-CG1 4.02Å; L85-V96 HydrophobicContact CB-CG2 3.84Å; L85-V96 HydrophobicContact CD2-CG1 3.77Å; L85-V96 HydrophobicContact CD2-CG2 4.38Å; L85-P117 HydrophobicContact CD1-CB 4.21Å; L85-P117 WeakPolarHBondContact CD1-O 3.47Å |
| 86 | F | 87.8 | Confident | 88.9 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 18% | 0.18 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 122.8 | 176.8 | -57.5 | -83.2 | 0 | 0 | 0 | 109.9 | P84 M93 Y155 | P84-F86 HydrophobicContact CB-CE2 3.97Å; P84-F86 HydrophobicContact CB-CZ 4.05Å; F86-M93 HydrophobicContact CD1-CB 4.13Å; F86-M93 HydrophobicContact CD1-CG 4Å; F86-M93 HydrophobicContact CD1-SD 4.28Å; F86-M93 HydrophobicContact CE1-CB 4.27Å; F86-M93 HydrophobicContact CE1-CG 3.87Å; F86-M93 HydrophobicContact CE1-SD 3.53Å; F86-M93 VanDerWaalsContact CE1-SD 3.53Å; F86-M93 HydrophobicContact CZ-CG 4.46Å; F86-M93 HydrophobicContact CZ-SD 3.89Å; F86-Y155 AromaticContact CD1-CD1 3.98Å; F86-Y155 HydrophobicContact CD1-CD1 3.98Å; F86-Y155 AromaticContact CD1-CD2 3.77Å; F86-Y155 HydrophobicContact CD1-CD2 3.77Å; F86-Y155 AromaticContact CD1-CE1 3.99Å; F86-Y155 HydrophobicContact CD1-CE1 3.99Å; F86-Y155 AromaticContact CD1-CE2 3.79Å; F86-Y155 HydrophobicContact CD1-CE2 3.79Å; F86-Y155 AromaticContact CD1-CG 3.88Å; F86-Y155 HydrophobicContact CD1-CG 3.88Å; F86-Y155 AromaticContact CD1-CZ 3.92Å; F86-Y155 HydrophobicContact CE1-CD1 4.27Å; F86-Y155 AromaticContact CE1-CD2 3.56Å; F86-Y155 HydrophobicContact CE1-CD2 3.56Å; F86-Y155 HydrophobicContact CE1-CE2 4Å; F86-Y155 AromaticContact CE1-CG 3.72Å; F86-Y155 HydrophobicContact CE1-CG 3.72Å |
| 87 | E | 76.9 | Confident | 88.9 | Confident | 82 Ų | 82 | 51 Ų | 51 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | trans | -83.3 | 126.5 | 173.6 | -71.7 | -172.2 | -169.4 | 0 | 0 | 109.7 | D89 C90 A92 | E87-D89 PolarHBondContact O-N 3.49Å; E87-C90 WeakPolarHBondContact CB-SG 3.49Å; E87-C90 PolarHBondContact OE2-SG 3.29Å; E87-A92 PolarHBondContact N-O 2.83Å; E87-A92 VanDerWaalsContact N-O 3.15Å | ||
| 88 | K | 66.6 | Low | 88.8 | Confident | 201 Ų | 201 | 46.6 Ų | 46.6 | 87% | 0.874 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -28.8 | -172.6 | -70.2 | -178.4 | 179 | 176.5 | 0 | 113.2 | ||
| 89 | D | 69.2 | Low | 88.7 | Confident | 162 Ų | 162 | 44.8 Ų | 44.8 | 87% | 0.866 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -19.7 | -164.8 | -57.3 | -42.7 | 0 | 0 | 0 | 114.5 | E87 | E87-D89 PolarHBondContact O-N 3.49Š|
| 90 | C | 68.7 | Low | 88.6 | Confident | 66 Ų | 66 | 45.4 Ų | 45.4 | 45% | 0.446 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 8.3 | -166.1 | 66.4 | 0 | 0 | 0 | 0 | 115.4 | E87 A92 | E87-C90 WeakPolarHBondContact CB-SG 3.49Å; E87-C90 PolarHBondContact OE2-SG 3.29Å; C90-A92 HydrophobicContact CB-CB 4.47Å; C90-A92 PolarHBondContact O-N 2.94Å; C90-A92 WeakPolarHBondContact SG-CB 3.44Å |
| 91 | N | 73.8 | Confident | 88.4 | Confident | 89 Ų | 89 | 47.1 Ų | 47.1 | 48% | 0.476 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 48.5 | 23.6 | -171.8 | -73.7 | -54.2 | 0 | 0 | 0 | 112.9 | Y155 R158 | N91-Y155 VanDerWaalsContact C-CE1 3.43Å; N91-Y155 WeakPolarHBondContact O-CD1 3.42Å; N91-Y155 VanDerWaalsContact O-CE1 3.24Å; N91-Y155 WeakPolarHBondContact O-CE1 3.49Å; N91-R158 PolarHBondContact O-NE 2.8Å; N91-R158 PolarHBondContact O-NH2 2.84Å |
| 92 | A | 82.4 | Confident | 88.2 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 17% | 0.174 | 27% | 0.266 | C | S | . | . | trans | -95.9 | 153.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | E87 C90 | E87-A92 PolarHBondContact N-O 2.83Å; E87-A92 VanDerWaalsContact N-O 3.15Å; C90-A92 HydrophobicContact CB-CB 4.47Å; C90-A92 PolarHBondContact O-N 2.94Å; C90-A92 WeakPolarHBondContact SG-CB 3.44Å | ||
| 93 | M | 90.8 | Very high | 88 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.7 | 169.9 | -178.3 | -175 | 71.5 | 0 | 0 | 105.8 | P84 L85 F86 M95 Y155 Y156 Y159 R162 | P84-M93 HydrophobicContact CB-CG 4.2Å; P84-M93 HydrophobicContact CB-SD 3.89Å; L85-M93 WeakPolarHBondContact O-CA 3.22Å; F86-M93 HydrophobicContact CD1-CB 4.13Å; F86-M93 HydrophobicContact CD1-CG 4Å; F86-M93 HydrophobicContact CD1-SD 4.28Å; F86-M93 HydrophobicContact CE1-CB 4.27Å; F86-M93 HydrophobicContact CE1-CG 3.87Å; F86-M93 HydrophobicContact CE1-SD 3.53Å; F86-M93 VanDerWaalsContact CE1-SD 3.53Å; F86-M93 HydrophobicContact CZ-CG 4.46Å; F86-M93 HydrophobicContact CZ-SD 3.89Å; M93-M95 HydrophobicContact CE-CE 3.44Å; M93-M95 VanDerWaalsContact CE-CE 3.44Å; M93-M95 HydrophobicContact CE-SD 4.33Å; M93-M95 HydrophobicContact SD-CE 4.23Å; M93-Y155 HydrophobicContact CB-CD1 3.87Å; M93-Y155 HydrophobicContact CB-CG 4.27Å; M93-Y156 HydrophobicContact CE-CD1 4.01Å; M93-Y156 HydrophobicContact CE-CD2 4.14Å; M93-Y156 HydrophobicContact CE-CE1 4.12Å; M93-Y156 HydrophobicContact CE-CE2 4.23Å; M93-Y156 HydrophobicContact CE-CG 4.02Å; M93-Y156 HydrophobicContact SD-CD2 4.31Å; M93-Y156 HydrophobicContact SD-CE2 4.01Å; M93-Y159 HydrophobicContact CE-CD2 4.38Å; M93-Y159 HydrophobicContact CE-CG 3.93Å; M93-R162 PolarHBondContact O-NH1 3.42Å; M93-R162 VanDerWaalsContact O-NH1 3.16Å |
| 94 | D | 91.1 | Very high | 87.8 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.059 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 165.9 | 165.4 | -162.1 | 8.7 | 0 | 0 | 0 | 109.1 | L85 S125 | L85-D94 PolarHBondContact N-O 2.92Å; L85-D94 PolarHBondContact O-N 3.26Å; D94-S125 VanDerWaalsContact CG-OG 3.3Å; D94-S125 PolarHBondContact OD1-OG 3.27Å; D94-S125 WeakPolarHBondContact OD2-CB 3.5Å; D94-S125 PolarHBondContact OD2-OG 2.91Å |
| 95 | M | 95.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.3 | 168.7 | -53.6 | -64 | -166.7 | 0 | 0 | 108 | S56 F82 V83 P84 M93 S126 V135 Y156 Y159 | S56-M95 WeakPolarHBondContact OG-CE 3.46Å; S56-M95 PolarHBondContact OG-SD 2.9Å; F82-M95 HydrophobicContact CB-CB 3.97Å; F82-M95 HydrophobicContact CD1-CB 4.37Å; F82-M95 WeakPolarHBondContact CD1-O 3.38Å; V83-M95 WeakPolarHBondContact O-CA 3.3Å; P84-M95 VanDerWaalsContact CA-SD 3.53Å; P84-M95 HydrophobicContact CB-SD 3.96Å; P84-M95 HydrophobicContact CG-CE 4.26Å; P84-M95 HydrophobicContact CG-SD 3.75Å; M93-M95 HydrophobicContact CE-CE 3.44Å; M93-M95 VanDerWaalsContact CE-CE 3.44Å; M93-M95 HydrophobicContact CE-SD 4.33Å; M93-M95 HydrophobicContact SD-CE 4.23Å; M95-S126 PolarHBondContact O-N 3.46Å; M95-S126 PolarHBondContact O-OG 2.84Å; M95-V135 HydrophobicContact CE-CG1 4.14Å; M95-Y156 HydrophobicContact CE-CD1 4.32Å; M95-Y156 HydrophobicContact CE-CE1 3.7Å; M95-Y159 HydrophobicContact CB-CE2 4.21Å; M95-Y159 HydrophobicContact CE-CD1 4.11Å; M95-Y159 HydrophobicContact CE-CE1 4.13Å; M95-Y159 HydrophobicContact CE-CG 4.35Å; M95-Y159 HydrophobicContact CG-CD2 4.15Å; M95-Y159 HydrophobicContact CG-CE1 4Å; M95-Y159 HydrophobicContact CG-CE2 3.45Å; M95-Y159 VanDerWaalsContact CG-CE2 3.45Å; M95-Y159 WeakPolarHBondContact CG-OH 3.41Å |
| 96 | V | 96 | Very high | 87.6 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141 | -175.3 | -66.2 | 0 | 0 | 0 | 0 | 111.1 | F82 V83 L85 P117 R123 E124 | F82-V96 CarbonylContact C-O 3.58Å; F82-V96 VanDerWaalsContact CA-O 3.3Å; F82-V96 WeakPolarHBondContact CA-O 3.47Å; F82-V96 VanDerWaalsContact CD1-C 3.48Å; V83-V96 HydrophobicContact CG2-CG2 4.15Å; V83-V96 PolarHBondContact N-O 2.82Å; V83-V96 PolarHBondContact O-N 3.17Å; L85-V96 HydrophobicContact CB-CG1 4.02Å; L85-V96 HydrophobicContact CB-CG2 3.84Å; L85-V96 HydrophobicContact CD2-CG1 3.77Å; L85-V96 HydrophobicContact CD2-CG2 4.38Å; V96-P117 HydrophobicContact CG2-CG 3.72Å; V96-R123 HydrophobicContact CB-CB 4.05Å; V96-R123 HydrophobicContact CG1-CB 4.25Å; V96-E124 WeakPolarHBondContact CA-O 3.44Å |
| 97 | R | 96.8 | Very high | 87.8 | Confident | 74 Ų | 74 | 63.1 Ų | 63.1 | 28% | 0.279 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 141.9 | -177 | -174 | 172.4 | 176.2 | 176 | 2.8 | 111.9 | V80 C81 F82 R123 E124 | V80-R97 HydrophobicContact CG1-CG 3.99Å; C81-R97 WeakPolarHBondContact O-CA 3.41Å; F82-R97 HydrophobicContact CD1-CB 4.11Å; F82-R97 HydrophobicContact CE1-CB 3.7Å; F82-R97 HydrophobicContact CZ-CB 4.06Å; F82-R97 HydrophobicContact CZ-CG 4.42Å; R97-R123 PolarHBondContact O-NH1 3.07Å; R97-E124 HydrophobicContact CB-CB 3.85Å; R97-E124 WeakPolarHBondContact CD-OE2 3.24Å; R97-E124 IonicContact CZ-OE2 3.08Å; R97-E124 PolarHBondContact N-O 2.85Å; R97-E124 IonicContact NE-OE2 3.45Å; R97-E124 IonicContact NH1-OE2 2.79Å; R97-E124 PolarHBondContact NH1-OE2 3.22Å |
| 98 | M | 96 | Very high | 88.3 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 142.3 | 168.2 | -55.2 | -55.1 | -60 | 0 | 0 | 109.3 | F75 C81 V83 E103 V104 L107 P117 R123 | F75-M98 HydrophobicContact CZ-CB 3.9Å; C81-M98 HydrophobicContact CB-CB 4.47Å; C81-M98 PolarHBondContact O-N 3.46Å; V83-M98 HydrophobicContact CB-CG 4.31Å; V83-M98 HydrophobicContact CG1-CG 3.71Å; V83-M98 HydrophobicContact CG2-CG 3.7Å; V83-M98 HydrophobicContact CG2-SD 3.59Å; V83-M98 VanDerWaalsContact CG2-SD 3.59Å; M98-E103 HydrophobicContact CE-CB 3.97Å; M98-E103 VanDerWaalsContact CE-CD 3.42Å; M98-E103 HydrophobicContact CE-CG 3.51Å; M98-V104 HydrophobicContact CB-CG2 3.79Å; M98-V104 HydrophobicContact CE-CB 4.4Å; M98-V104 HydrophobicContact CE-CG2 3.7Å; M98-V104 HydrophobicContact CG-CG2 3.77Å; M98-L107 HydrophobicContact CE-CD1 3.82Å; M98-L107 HydrophobicContact CE-CD2 4Å; M98-L107 HydrophobicContact CE-CG 4.05Å; M98-L107 HydrophobicContact SD-CD1 4.33Å; M98-P117 HydrophobicContact SD-CG 4.28Å; M98-R123 PolarHBondContact SD-NH1 3.49Å; M98-R123 VanDerWaalsContact SD-NH1 3.41Å |
| 99 | H | 95.1 | Very high | 89.1 | Confident | 114 Ų | 114 | 57.2 Ų | 57.2 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | trans | -105.3 | -22.4 | -173.8 | -65.8 | -80.4 | 0 | 0 | 0 | 113.3 | E103 | H99-E103 WeakPolarHBondContact CB-OE2 3.39Å; H99-E103 IonicContact CD2-OE2 3.77Å; H99-E103 IonicContact CG-OE2 3.91Å; H99-E103 PolarHBondContact N-OE2 3.29Å | ||
| 100 | S | 95.3 | Very high | 89.7 | Confident | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 27% | 0.268 | S | S | . | . | trans | -152 | 162.4 | 175.3 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | F75 E102 E103 V104 | F75-S100 WeakPolarHBondContact CE2-O 3.47Å; F75-S100 WeakPolarHBondContact CZ-O 3.43Å; S100-E102 VanDerWaalsContact C-N 3.26Å; S100-E102 PolarHBondContact O-N 2.83Å; S100-E102 PolarHBondContact OG-N 2.88Å; S100-E103 WeakPolarHBondContact O-CB 3.42Å; S100-E103 PolarHBondContact O-N 3.25Å; S100-E103 WeakPolarHBondContact OG-CB 3.3Å; S100-E103 PolarHBondContact OG-N 2.83Å; S100-V104 PolarHBondContact O-N 2.96Å | ||
| 101 | L | 94.5 | Very high | 90.2 | Very high | 63 Ų | 63 | 55 Ų | 55 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 170.9 | -179 | 62.6 | 0 | 0 | 0 | 111.1 | V71 K72 F75 E103 V104 T105 | V71-L101 HydrophobicContact CB-CD1 4.46Å; V71-L101 HydrophobicContact CG1-CD1 3.81Å; K72-L101 HydrophobicContact CB-CD2 4.36Å; K72-L101 HydrophobicContact CG-CD2 4.26Å; F75-L101 HydrophobicContact CD2-CB 3.99Å; F75-L101 HydrophobicContact CE2-CB 4.37Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-E103 PolarHBondContact O-N 2.83Å; L101-V104 PolarHBondContact O-N 3.33Å; L101-T105 HydrophobicContact CD1-CG2 4.49Å; L101-T105 WeakPolarHBondContact O-CG2 3.32Å; L101-T105 PolarHBondContact O-N 2.89Å; L101-T105 PolarHBondContact O-OG1 3.21Å |
| 102 | E | 93.7 | Very high | 90.2 | Very high | 122 Ų | 122 | 59 Ų | 59 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.4 | -46.5 | 176.9 | -179.1 | 178.1 | -175.3 | 0 | 0 | 111.2 | S100 V104 T105 Q106 | S100-E102 VanDerWaalsContact C-N 3.26Å; S100-E102 PolarHBondContact O-N 2.83Å; S100-E102 PolarHBondContact OG-N 2.88Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 2.74Å; E102-T105 WeakPolarHBondContact CA-OG1 3.38Å; E102-T105 PolarHBondContact O-N 2.81Å; E102-T105 VanDerWaalsContact O-N 3.1Å; E102-T105 PolarHBondContact O-OG1 2.94Å; E102-Q106 HydrophobicContact CG-CG 4.44Å; E102-Q106 VanDerWaalsContact CG-NE2 3.31Å; E102-Q106 WeakPolarHBondContact O-CG 3.12Å; E102-Q106 PolarHBondContact O-N 3.15Å; E102-Q106 PolarHBondContact OE1-NE2 2.86Å |
| 103 | E | 94.1 | Very high | 90.1 | Very high | 39 Ų | 39 | 62.8 Ų | 62.8 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 178.4 | -167.2 | -167.1 | 174.1 | 0 | 0 | 111.7 | M98 H99 S100 L101 Q106 L107 R123 | M98-E103 HydrophobicContact CE-CB 3.97Å; M98-E103 VanDerWaalsContact CE-CD 3.42Å; M98-E103 HydrophobicContact CE-CG 3.51Å; H99-E103 WeakPolarHBondContact CB-OE2 3.39Å; H99-E103 IonicContact CD2-OE2 3.77Å; H99-E103 IonicContact CG-OE2 3.91Å; H99-E103 PolarHBondContact N-OE2 3.29Å; S100-E103 WeakPolarHBondContact O-CB 3.42Å; S100-E103 PolarHBondContact O-N 3.25Å; S100-E103 WeakPolarHBondContact OG-CB 3.3Å; S100-E103 PolarHBondContact OG-N 2.83Å; L101-E103 VanDerWaalsContact C-N 3.32Å; L101-E103 PolarHBondContact O-N 2.83Å; E103-Q106 PolarHBondContact O-N 3.43Å; E103-L107 WeakPolarHBondContact O-CG 3.46Å; E103-L107 PolarHBondContact O-N 3.23Å; E103-R123 IonicContact OE1-CZ 3.3Å; E103-R123 IonicContact OE1-NH1 3.39Å; E103-R123 PolarHBondContact OE1-NH1 2.85Å; E103-R123 IonicContact OE1-NH2 3.86Å; E103-R123 PolarHBondContact OE1-NH2 2.81Å |
| 104 | V | 93.3 | Very high | 89.6 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.1 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | L59 V71 F75 M98 S100 L101 E102 Q106 L107 | L59-V104 HydrophobicContact CD1-CG1 3.88Å; L59-V104 HydrophobicContact CD2-CG1 3.7Å; L59-V104 HydrophobicContact CG-CG1 4.49Å; V71-V104 HydrophobicContact CG1-CB 4.32Å; V71-V104 HydrophobicContact CG1-CG1 4.2Å; V71-V104 HydrophobicContact CG1-CG2 4.03Å; F75-V104 HydrophobicContact CE2-CG2 4.06Å; F75-V104 HydrophobicContact CZ-CG2 4.34Å; M98-V104 HydrophobicContact CB-CG2 3.79Å; M98-V104 HydrophobicContact CE-CB 4.4Å; M98-V104 HydrophobicContact CE-CG2 3.7Å; M98-V104 HydrophobicContact CG-CG2 3.77Å; S100-V104 PolarHBondContact O-N 2.96Å; L101-V104 PolarHBondContact O-N 3.33Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 2.74Å; V104-Q106 VanDerWaalsContact C-N 3.28Å; V104-Q106 PolarHBondContact O-N 3.17Å; V104-L107 WeakPolarHBondContact O-CB 3.35Å; V104-L107 PolarHBondContact O-N 3.5Å |
| 105 | T | 89.5 | Confident | 89.3 | Confident | 73 Ų | 73 | 69 Ų | 69 | 45% | 0.448 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.8 | -22.8 | -179.1 | 57.6 | 0 | 0 | 0 | 0 | 113.8 | L101 E102 | L101-T105 HydrophobicContact CD1-CG2 4.49Å; L101-T105 WeakPolarHBondContact O-CG2 3.32Å; L101-T105 PolarHBondContact O-N 2.89Å; L101-T105 PolarHBondContact O-OG1 3.21Å; E102-T105 WeakPolarHBondContact CA-OG1 3.38Å; E102-T105 PolarHBondContact O-N 2.81Å; E102-T105 VanDerWaalsContact O-N 3.1Å; E102-T105 PolarHBondContact O-OG1 2.94Å |
| 106 | Q | 92.1 | Very high | 88.8 | Confident | 132 Ų | 132 | 69.8 Ų | 69.8 | 62% | 0.617 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -1.8 | 178.9 | -70.2 | 174.2 | -3.5 | 0 | 0 | 113.4 | E102 E103 V104 | E102-Q106 HydrophobicContact CG-CG 4.44Å; E102-Q106 VanDerWaalsContact CG-NE2 3.31Å; E102-Q106 WeakPolarHBondContact O-CG 3.12Å; E102-Q106 PolarHBondContact O-N 3.15Å; E102-Q106 PolarHBondContact OE1-NE2 2.86Å; E103-Q106 PolarHBondContact O-N 3.43Å; V104-Q106 VanDerWaalsContact C-N 3.28Å; V104-Q106 PolarHBondContact O-N 3.17Å |
| 107 | L | 91.5 | Very high | 88.2 | Confident | 15 Ų | 15 | 69.9 Ų | 69.9 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 138.6 | 178 | -70.5 | 179.7 | 0 | 0 | 0 | 111.3 | L59 M98 E103 V104 R115 P117 | L59-L107 HydrophobicContact CD1-CD1 3.66Å; M98-L107 HydrophobicContact CE-CD1 3.82Å; M98-L107 HydrophobicContact CE-CD2 4Å; M98-L107 HydrophobicContact CE-CG 4.05Å; M98-L107 HydrophobicContact SD-CD1 4.33Å; E103-L107 WeakPolarHBondContact O-CG 3.46Å; E103-L107 PolarHBondContact O-N 3.23Å; V104-L107 WeakPolarHBondContact O-CB 3.35Å; V104-L107 PolarHBondContact O-N 3.5Å; L107-R115 HydrophobicContact CB-CB 4.12Å; L107-P117 HydrophobicContact CD1-CG 4.35Å; L107-P117 HydrophobicContact CD2-CB 4.32Å; L107-P117 HydrophobicContact CD2-CG 3.89Å |
| 108 | P | 88.1 | Confident | 87.5 | Confident | 56 Ų | 56 | 73.4 Ų | 73.4 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 150.5 | 174.4 | 28.3 | -33.3 | 0 | 0 | 0 | 110.9 | R115 Q116 L118 | P108-R115 WeakPolarHBondContact O-CA 3.2Å; P108-Q116 WeakPolarHBondContact CD-O 3.47Å; P108-Q116 PolarHBondContact O-N 3.01Å; P108-L118 HydrophobicContact CB-CD2 4.29Å; P108-L118 HydrophobicContact CG-CD2 3.54Å; P108-L118 HydrophobicContact CG-CG 3.77Å |
| 109 | E | 84.2 | Confident | 86.7 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -90.1 | 136.7 | 172.5 | -71.7 | 178.6 | -168.2 | 0 | 0 | 110.3 | R115 | E109-R115 HydrophobicContact CG-CG 3.47Å; E109-R115 VanDerWaalsContact CG-CG 3.47Å; E109-R115 IonicContact OE1-CZ 3.89Å; E109-R115 IonicContact OE1-NE 3.73Å; E109-R115 PolarHBondContact OE1-NE 3Å; E109-R115 IonicContact OE1-NH2 2.78Å; E109-R115 PolarHBondContact OE1-NH2 2.93Å; E109-R115 VanDerWaalsContact OE1-NH2 3.08Å |
| 110 | T | 81.7 | Confident | 86 | Confident | 32 Ų | 32 | 73.8 Ų | 73.8 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 172 | 169.9 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | W112 N113 I114 Q116 | T110-W112 PolarHBondContact O-N 3.22Å; T110-W112 PolarHBondContact OG1-N 3.41Å; T110-N113 PolarHBondContact O-N 3.4Å; T110-I114 PolarHBondContact N-O 2.84Å; T110-I114 PolarHBondContact OG1-N 3.29Å; T110-I114 PolarHBondContact OG1-O 2.99Å; T110-I114 VanDerWaalsContact OG1-O 3.12Å; T110-Q116 HydrophobicContact CG2-CG 3.61Å |
| 111 | I | 78.7 | Confident | 85.1 | Confident | 150 Ų | 150 | 78.2 Ų | 78.2 | 77% | 0.769 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -11 | 171.5 | 63.4 | 169.5 | 0 | 0 | 0 | 114.1 | ||
| 112 | W | 73.2 | Confident | 84.6 | Confident | 172 Ų | 172 | 79.1 Ų | 79.1 | 65% | 0.652 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 12 | 176.8 | -54.6 | -61.5 | 0 | 0 | 0 | 113 | T110 I114 | T110-W112 PolarHBondContact O-N 3.22Å; T110-W112 PolarHBondContact OG1-N 3.41Å; W112-I114 HydrophobicContact CB-CD1 4.11Å; W112-I114 HydrophobicContact CB-CG1 4.27Å; W112-I114 PolarHBondContact O-N 3.48Å |
| 113 | N | 79.8 | Confident | 84.4 | Confident | 101 Ų | 101 | 76 Ų | 76 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 58.2 | 26.4 | -175.1 | -54.2 | -29.5 | 0 | 0 | 0 | 113.5 | T110 | T110-N113 PolarHBondContact O-N 3.4Š|
| 114 | I | 80.5 | Confident | 84.4 | Confident | 45 Ų | 45 | 76.8 Ų | 76.8 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | trans | -97.8 | 122.8 | 174.3 | -60.3 | 168.6 | 0 | 0 | 0 | 107.3 | T61 T110 W112 | T61-I114 HydrophobicContact CG2-CG1 3.71Å; T110-I114 PolarHBondContact N-O 2.84Å; T110-I114 PolarHBondContact OG1-N 3.29Å; T110-I114 PolarHBondContact OG1-O 2.99Å; T110-I114 VanDerWaalsContact OG1-O 3.12Å; W112-I114 HydrophobicContact CB-CD1 4.11Å; W112-I114 HydrophobicContact CB-CG1 4.27Å; W112-I114 PolarHBondContact O-N 3.48Å | ||
| 115 | R | 86.2 | Confident | 84.4 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 39% | 0.389 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -71.1 | 130.7 | 169.3 | -70.4 | -178.2 | -172.9 | 169.2 | 1.8 | 109.5 | L59 L107 P108 E109 | L59-R115 HydrophobicContact CB-CB 4.26Å; L59-R115 HydrophobicContact CD1-CB 3.66Å; L59-R115 WeakPolarHBondContact CD1-O 3.31Å; L107-R115 HydrophobicContact CB-CB 4.12Å; P108-R115 WeakPolarHBondContact O-CA 3.2Å; E109-R115 HydrophobicContact CG-CG 3.47Å; E109-R115 VanDerWaalsContact CG-CG 3.47Å; E109-R115 IonicContact OE1-CZ 3.89Å; E109-R115 IonicContact OE1-NE 3.73Å; E109-R115 PolarHBondContact OE1-NE 3Å; E109-R115 IonicContact OE1-NH2 2.78Å; E109-R115 PolarHBondContact OE1-NH2 2.93Å; E109-R115 VanDerWaalsContact OE1-NH2 3.08Å |
| 116 | Q | 85.2 | Confident | 84.7 | Confident | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.075 | 38% | 0.382 | C | S | . | . | trans | -156.4 | 160.6 | 172.1 | 60.2 | 171.3 | 75.8 | 0 | 0 | 110.3 | P108 T110 | P108-Q116 WeakPolarHBondContact CD-O 3.47Å; P108-Q116 PolarHBondContact O-N 3.01Å; T110-Q116 HydrophobicContact CG2-CG 3.61Å | ||
| 117 | P | 83.3 | Confident | 84.8 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.013 | 36% | 0.355 | C | S | . | . | trans | -58.2 | 150.6 | 166.7 | -27.2 | 39.2 | 0 | 0 | 0 | 113 | V83 L85 V96 M98 L107 N119 R123 | V83-P117 HydrophobicContact CG2-CG 4.47Å; L85-P117 HydrophobicContact CD1-CB 4.21Å; L85-P117 WeakPolarHBondContact CD1-O 3.47Å; V96-P117 HydrophobicContact CG2-CG 3.72Å; M98-P117 HydrophobicContact SD-CG 4.28Å; L107-P117 HydrophobicContact CD1-CG 4.35Å; L107-P117 HydrophobicContact CD2-CB 4.32Å; L107-P117 HydrophobicContact CD2-CG 3.89Å; P117-N119 VanDerWaalsContact C-N 3.3Å; P117-N119 PolarHBondContact O-N 3.1Å; P117-R123 VanDerWaalsContact CB-NE 3.3Å | ||
| 118 | L | 80.8 | Confident | 84.9 | Confident | 147 Ų | 147 | 73.5 Ų | 73.5 | 77% | 0.77 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -64.2 | -37.1 | 177.1 | -71.4 | 174.9 | 0 | 0 | 0 | 112.3 | P108 | P108-L118 HydrophobicContact CB-CD2 4.29Å; P108-L118 HydrophobicContact CG-CD2 3.54Å; P108-L118 HydrophobicContact CG-CG 3.77Å |
| 119 | N | 79.7 | Confident | 85.1 | Confident | 76 Ų | 76 | 72.7 Ų | 72.7 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | trans | -157.7 | 174.7 | 179.1 | 58.2 | 54.6 | 0 | 0 | 0 | 109.6 | P117 I121 | P117-N119 VanDerWaalsContact C-N 3.3Å; P117-N119 PolarHBondContact O-N 3.1Å; N119-I121 VanDerWaalsContact C-N 3.32Å; N119-I121 HydrophobicContact CB-CG1 4.3Å; N119-I121 WeakPolarHBondContact OD1-CB 3.07Å; N119-I121 WeakPolarHBondContact OD1-CG1 3.3Å; N119-I121 PolarHBondContact OD1-N 3.16Å | ||
| 120 | S | 79.8 | Confident | 85.5 | Confident | 50 Ų | 50 | 76.8 Ų | 76.8 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -85.3 | -1.1 | 177.2 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | G122 R123 | S120-G122 PolarHBondContact O-N 2.78Å; S120-R123 PolarHBondContact O-N 3.41Å |
| 121 | I | 78 | Confident | 86.2 | Confident | 136 Ų | 136 | 75.2 Ų | 75.2 | 70% | 0.697 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 125.6 | -173.2 | -56.6 | 174.4 | 0 | 0 | 0 | 109.3 | N119 R123 | N119-I121 VanDerWaalsContact C-N 3.32Å; N119-I121 HydrophobicContact CB-CG1 4.3Å; N119-I121 WeakPolarHBondContact OD1-CB 3.07Å; N119-I121 WeakPolarHBondContact OD1-CG1 3.3Å; N119-I121 PolarHBondContact OD1-N 3.16Å; I121-R123 PolarHBondContact O-N 2.77Å |
| 122 | G | 82.6 | Confident | 87.2 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 85% | 0.845 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 5.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | S120 | S120-G122 PolarHBondContact O-N 2.78Š|
| 123 | R | 90 | Very high | 88.3 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 22% | 0.215 | 33% | 0.326 | C | S | . | . | trans | -102.5 | 139.2 | 179.2 | -62.6 | -173 | 170.3 | -81.6 | -6 | 111.6 | V96 R97 M98 E103 P117 S120 I121 S125 | V96-R123 HydrophobicContact CB-CB 4.05Å; V96-R123 HydrophobicContact CG1-CB 4.25Å; R97-R123 PolarHBondContact O-NH1 3.07Å; M98-R123 PolarHBondContact SD-NH1 3.49Å; M98-R123 VanDerWaalsContact SD-NH1 3.41Å; E103-R123 IonicContact OE1-CZ 3.3Å; E103-R123 IonicContact OE1-NH1 3.39Å; E103-R123 PolarHBondContact OE1-NH1 2.85Å; E103-R123 IonicContact OE1-NH2 3.86Å; E103-R123 PolarHBondContact OE1-NH2 2.81Å; P117-R123 VanDerWaalsContact CB-NE 3.3Å; S120-R123 PolarHBondContact O-N 3.41Å; I121-R123 PolarHBondContact O-N 2.77Å; R123-S125 PolarHBondContact O-N 3.46Å | ||
| 124 | E | 93.7 | Very high | 89.2 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | trans | -67.2 | 115.9 | 169.7 | -179.2 | -172.2 | 153.3 | 0 | 0 | 109 | R54 F82 V96 R97 S129 | R54-E124 IonicContact CZ-OE1 2.98Å; R54-E124 IonicContact NH1-OE1 3.38Å; R54-E124 PolarHBondContact NH1-OE1 2.65Å; R54-E124 IonicContact NH2-OE1 3.69Å; R54-E124 PolarHBondContact NH2-OE1 2.83Å; F82-E124 HydrophobicContact CE1-CG 4.46Å; V96-E124 WeakPolarHBondContact CA-O 3.44Å; R97-E124 HydrophobicContact CB-CB 3.85Å; R97-E124 WeakPolarHBondContact CD-OE2 3.24Å; R97-E124 IonicContact CZ-OE2 3.08Å; R97-E124 PolarHBondContact N-O 2.85Å; R97-E124 IonicContact NE-OE2 3.45Å; R97-E124 IonicContact NH1-OE2 2.79Å; R97-E124 PolarHBondContact NH1-OE2 3.22Å; E124-S129 PolarHBondContact OE1-OG 2.86Å | ||
| 125 | S | 94.4 | Very high | 90.1 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -77.1 | 135.5 | 168.8 | 162.9 | 0 | 0 | 0 | 0 | 110.1 | D94 R123 L127 N128 S129 | D94-S125 VanDerWaalsContact CG-OG 3.3Å; D94-S125 PolarHBondContact OD1-OG 3.27Å; D94-S125 WeakPolarHBondContact OD2-CB 3.5Å; D94-S125 PolarHBondContact OD2-OG 2.91Å; R123-S125 PolarHBondContact O-N 3.46Å; S125-L127 VanDerWaalsContact C-N 3.3Å; S125-L127 PolarHBondContact O-N 2.57Å; S125-L127 PolarHBondContact OG-N 3.4Å; S125-N128 PolarHBondContact O-N 2.75Å; S125-N128 PolarHBondContact OG-N 3.09Å; S125-S129 VanDerWaalsContact O-CB 3.29Å; S125-S129 WeakPolarHBondContact O-CB 3.46Å; S125-S129 PolarHBondContact O-N 3.21Å; S125-S129 PolarHBondContact O-OG 3.26Å |
| 126 | S | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -62.8 | -39.4 | 174.9 | 66 | 0 | 0 | 0 | 0 | 111.8 | M95 S129 G131 Y159 F167 | M95-S126 PolarHBondContact O-N 3.46Å; M95-S126 PolarHBondContact O-OG 2.84Å; S126-S129 PolarHBondContact O-N 2.95Å; S126-S129 PolarHBondContact O-OG 2.68Å; S126-G131 WeakPolarHBondContact O-CA 3.41Å; S126-G131 PolarHBondContact O-N 2.91Å; S126-Y159 PolarHBondContact OG-OH 3.39Å; S126-F167 WeakPolarHBondContact O-CZ 3.47Å |
| 127 | L | 94 | Very high | 91.3 | Very high | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -30.9 | -178 | -65.5 | 177 | 0 | 0 | 0 | 112.3 | S125 S129 Y159 R162 H163 Q166 F167 | S125-L127 VanDerWaalsContact C-N 3.3Å; S125-L127 PolarHBondContact O-N 2.57Å; S125-L127 PolarHBondContact OG-N 3.4Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-Y159 HydrophobicContact CD1-CD2 4.25Å; L127-Y159 HydrophobicContact CD1-CE2 4.13Å; L127-Y159 HydrophobicContact CD2-CE2 4.05Å; L127-Y159 HydrophobicContact CG-CE2 3.94Å; L127-R162 HydrophobicContact CD1-CB 4.1Å; L127-R162 HydrophobicContact CD2-CB 4.43Å; L127-H163 HydrophobicContact CD2-CB 4.14Å; L127-Q166 WeakPolarHBondContact O-CG 3.47Å; L127-F167 HydrophobicContact CD2-CE2 4.22Å; L127-F167 WeakPolarHBondContact O-CZ 3.46Å |
| 128 | N | 92.6 | Very high | 92 | Very high | 142 Ų | 142 | 49.4 Ų | 49.4 | 76% | 0.759 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 11.1 | 176.6 | -58.5 | -29.9 | 0 | 0 | 0 | 113.6 | S125 | S125-N128 PolarHBondContact O-N 2.75Å; S125-N128 PolarHBondContact OG-N 3.09Å |
| 129 | S | 92.7 | Very high | 92.7 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 27% | 0.273 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -119.9 | 179.8 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | R54 E124 S125 S126 L127 F167 | R54-S129 PolarHBondContact NH2-OG 3.06Å; E124-S129 PolarHBondContact OE1-OG 2.86Å; S125-S129 VanDerWaalsContact O-CB 3.29Å; S125-S129 WeakPolarHBondContact O-CB 3.46Å; S125-S129 PolarHBondContact O-N 3.21Å; S125-S129 PolarHBondContact O-OG 3.26Å; S126-S129 PolarHBondContact O-N 2.95Å; S126-S129 PolarHBondContact O-OG 2.68Å; L127-S129 VanDerWaalsContact C-N 3.31Å; S129-F167 WeakPolarHBondContact O-CE1 3.44Å |
| 130 | R | 94.1 | Very high | 93.5 | Very high | 188 Ų | 188 | 39.2 Ų | 39.2 | 71% | 0.709 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 9.3 | -176.5 | -65.9 | 179.2 | 63.1 | -172.9 | -4 | 113.5 | ||
| 131 | G | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | 74.1 | -163 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R54 S126 F167 | R54-G131 PolarHBondContact NE-O 2.93Å; R54-G131 PolarHBondContact NH2-O 3.23Å; S126-G131 WeakPolarHBondContact O-CA 3.41Å; S126-G131 PolarHBondContact O-N 2.91Å; G131-F167 VanDerWaalsContact CA-CZ 3.44Å | ||
| 132 | V | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -125.7 | 149.4 | 171.7 | -68.8 | 0 | 0 | 0 | 0 | 109.3 | F82 V135 Y159 H163 P171 | F82-V132 HydrophobicContact CB-CG1 4.37Å; F82-V132 HydrophobicContact CD2-CG1 3.77Å; F82-V132 HydrophobicContact CE2-CG1 4.27Å; F82-V132 HydrophobicContact CG-CG1 4.02Å; V132-V135 HydrophobicContact CG2-CG2 3.59Å; V132-Y159 HydrophobicContact CG2-CE1 4.36Å; V132-Y159 WeakPolarHBondContact CG2-OH 3.32Å; V132-H163 PolarHBondContact N-NE2 3.45Å; V132-H163 VanDerWaalsContact N-NE2 3.15Å; V132-H163 PolarHBondContact O-NE2 3.33Å; V132-P171 HydrophobicContact CG2-CB 3.88Å; V132-P171 HydrophobicContact CG2-CG 4.28Å; V132-P171 WeakPolarHBondContact O-CB 3.43Å | ||
| 133 | D | 98.2 | Very high | 96.1 | Very high | 35 Ų | 35 | 26.4 Ų | 26.4 | 19% | 0.187 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -83 | -38.7 | 177.2 | -56.3 | -42.7 | 0 | 0 | 0 | 110.7 | E53 R54 R169 L172 | E53-D133 PolarHBondContact N-OD2 2.66Å; R54-D133 PolarHBondContact N-OD2 2.87Å; R54-D133 PolarHBondContact O-N 3Å; D133-R169 IonicContact OD1-NH2 3.72Å; D133-R169 PolarHBondContact OD1-NH2 3.37Å; D133-L172 WeakPolarHBondContact O-CB 3.39Å; D133-L172 PolarHBondContact O-N 3.3Å |
| 134 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 137.3 | -176.1 | 170.5 | 64.2 | 0 | 0 | 0 | 111.6 | Y49 S52 R54 V55 S56 I136 L172 I174 | Y49-L134 HydrophobicContact CD2-CD2 3.88Å; Y49-L134 HydrophobicContact CG-CD2 4.48Å; S52-L134 VanDerWaalsContact OG-CB 3.28Å; S52-L134 WeakPolarHBondContact OG-CB 3.26Å; R54-L134 PolarHBondContact O-N 3.01Å; V55-L134 WeakPolarHBondContact CA-O 3.45Å; V55-L134 HydrophobicContact CG1-CB 4.43Å; V55-L134 HydrophobicContact CG1-CD2 4.23Å; V55-L134 HydrophobicContact CG1-CG 4.25Å; V55-L134 HydrophobicContact CG2-CB 4.4Å; S56-L134 PolarHBondContact N-O 3.46Å; L134-I136 HydrophobicContact CD1-CD1 4.28Å; L134-I136 HydrophobicContact CD2-CD1 3.82Å; L134-I136 HydrophobicContact CG-CD1 3.99Å; L134-L172 CarbonylContact C-O 3.54Å; L134-L172 WeakPolarHBondContact CA-O 3.38Å; L134-L172 HydrophobicContact CD1-CB 4.13Å; L134-I174 HydrophobicContact CD1-CB 4.19Å; L134-I174 HydrophobicContact CD1-CD1 3.72Å; L134-I174 HydrophobicContact CD1-CG1 3.62Å; L134-I174 HydrophobicContact CD2-CD1 4.11Å |
| 135 | V | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 111.4 | 170.3 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | M95 V132 T137 Y156 Y159 F160 P171 L172 I174 | M95-V135 HydrophobicContact CE-CG1 4.14Å; V132-V135 HydrophobicContact CG2-CG2 3.59Å; V135-T137 WeakPolarHBondContact CG1-OG1 3.28Å; V135-T137 PolarHBondContact O-N 3.46Å; V135-T137 PolarHBondContact O-OG1 2.99Å; V135-Y156 HydrophobicContact CG1-CD1 4.25Å; V135-Y156 HydrophobicContact CG1-CE1 3.9Å; V135-Y159 HydrophobicContact CG2-CE1 4.12Å; V135-F160 HydrophobicContact CB-CE1 4.09Å; V135-F160 HydrophobicContact CG1-CE1 4.09Å; V135-F160 HydrophobicContact CG1-CZ 4.47Å; V135-F160 HydrophobicContact CG2-CE1 4.13Å; V135-P171 HydrophobicContact CG2-CB 3.94Å; V135-P171 HydrophobicContact CG2-CG 3.6Å; V135-L172 PolarHBondContact N-O 2.76Å; V135-I174 PolarHBondContact O-N 2.94Å; V135-I174 VanDerWaalsContact O-N 3.07Å |
| 136 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 110.2 | 164.9 | -51.1 | -55 | 0 | 0 | 0 | 107.1 | L43 V55 S56 V57 Y58 L134 I174 L176 | L43-I136 HydrophobicContact CD1-CD1 3.82Å; L43-I136 HydrophobicContact CD2-CD1 4.06Å; V55-I136 HydrophobicContact CG1-CG1 4.1Å; S56-I136 WeakPolarHBondContact O-CB 3.38Å; S56-I136 PolarHBondContact O-N 3.19Å; V57-I136 HydrophobicContact CB-CB 4.35Å; V57-I136 HydrophobicContact CB-CG1 4.44Å; V57-I136 HydrophobicContact CG2-CB 4.24Å; V57-I136 HydrophobicContact CG2-CG1 4.5Å; V57-I136 HydrophobicContact CG2-CG2 4.39Å; Y58-I136 HydrophobicContact CD1-CG2 4.3Å; Y58-I136 HydrophobicContact CE1-CG2 4.05Å; L134-I136 HydrophobicContact CD1-CD1 4.28Å; L134-I136 HydrophobicContact CD2-CD1 3.82Å; L134-I136 HydrophobicContact CG-CD1 3.99Å; I136-I174 WeakPolarHBondContact CA-O 3.36Å; I136-I174 HydrophobicContact CD1-CB 4.2Å; I136-L176 HydrophobicContact CG2-CD1 3.45Å; I136-L176 VanDerWaalsContact CG2-CD1 3.45Å; I136-L176 HydrophobicContact CG2-CD2 4.38Å; I136-L176 HydrophobicContact CG2-CG 3.7Å |
| 137 | T | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 120.9 | -162.8 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | V135 Y156 F160 I174 G175 L195 | V135-T137 WeakPolarHBondContact CG1-OG1 3.28Å; V135-T137 PolarHBondContact O-N 3.46Å; V135-T137 PolarHBondContact O-OG1 2.99Å; T137-Y156 HydrophobicContact CG2-CD1 3.77Å; T137-Y156 HydrophobicContact CG2-CE1 4.18Å; T137-Y156 HydrophobicContact CG2-CG 4.16Å; T137-F160 HydrophobicContact CG2-CZ 4.13Å; T137-I174 PolarHBondContact N-O 3.15Å; T137-G175 WeakPolarHBondContact O-CA 3.43Å; T137-L195 HydrophobicContact CG2-CD1 4.39Å; T137-L195 HydrophobicContact CG2-CD2 3.97Å |
| 138 | P | 96.8 | Very high | 96.9 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 8% | 0.078 | 17% | 0.167 | C | C | . | . | trans | -76.9 | 163.1 | 174.1 | 33.4 | -32.7 | 0 | 0 | 0 | 111.2 | Y58 E64 Y156 | Y58-P138 HydrophobicContact CD1-CB 3.73Å; Y58-P138 HydrophobicContact CD1-CG 3.92Å; Y58-P138 HydrophobicContact CD2-CB 4Å; Y58-P138 HydrophobicContact CD2-CG 4.45Å; Y58-P138 HydrophobicContact CE1-CB 3.86Å; Y58-P138 HydrophobicContact CE2-CB 4.14Å; Y58-P138 HydrophobicContact CG-CB 3.79Å; Y58-P138 HydrophobicContact CG-CG 3.87Å; E64-P138 WeakPolarHBondContact OE1-CB 3.24Å; P138-Y156 WeakPolarHBondContact CD-OH 3.5Å; P138-Y156 HydrophobicContact CG-CD2 4.34Å; P138-Y156 HydrophobicContact CG-CE1 4.42Å; P138-Y156 HydrophobicContact CG-CE2 3.46Å; P138-Y156 VanDerWaalsContact CG-CE2 3.46Å; P138-Y156 WeakPolarHBondContact CG-OH 3.41Å | ||
| 139 | G | 96.4 | Very high | 97.1 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | trans | -170.8 | 160.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F142 Q181 | G139-F142 VanDerWaalsContact CA-CZ 3.42Å; G139-Q181 PolarHBondContact O-NE2 2.95Å | ||
| 140 | V | 96.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.024 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -83.1 | -41.9 | 175.2 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | R17 V20 V21 L149 Q181 | R17-V140 HydrophobicContact CB-CG1 4.24Å; R17-V140 HydrophobicContact CG-CB 4.36Å; R17-V140 HydrophobicContact CG-CG1 4.11Å; R17-V140 HydrophobicContact CG-CG2 4.35Å; V20-V140 HydrophobicContact CB-CG1 4.08Å; V20-V140 HydrophobicContact CG1-CG1 4.29Å; V20-V140 WeakPolarHBondContact CG1-O 3.49Å; V21-V140 HydrophobicContact CG2-CG1 3.88Å; V140-L149 WeakPolarHBondContact CA-O 3.4Å; V140-L149 WeakPolarHBondContact CB-O 3.2Å; V140-L149 PolarHBondContact N-O 2.98Å; V140-Q181 PolarHBondContact O-NE2 2.94Å |
| 141 | A | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 155.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I16 V20 L149 Q181 L183 L186 | I16-A141 HydrophobicContact CG2-CB 4.27Å; V20-A141 HydrophobicContact CG2-CB 4.23Å; A141-L149 HydrophobicContact CB-CB 4.16Å; A141-L149 HydrophobicContact CB-CD2 4.41Å; A141-L149 PolarHBondContact N-O 3.08Å; A141-L149 PolarHBondContact O-N 3.39Å; A141-Q181 CarbonylContact C-O 3.59Å; A141-Q181 VanDerWaalsContact CA-O 3.31Å; A141-Q181 WeakPolarHBondContact CA-O 2.82Å; A141-L183 HydrophobicContact CB-CD1 3.96Å; A141-L183 HydrophobicContact CB-CG 4.36Å; A141-L186 HydrophobicContact CB-CD2 3.92Å |
| 142 | F | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 159.9 | -178.8 | -57 | -97.2 | 0 | 0 | 0 | 110.3 | G139 Q147 R148 L176 A177 Q181 I182 L183 L195 V198 | G139-F142 VanDerWaalsContact CA-CZ 3.42Å; F142-Q147 CarbonylContact C-O 3.52Å; F142-Q147 WeakPolarHBondContact CA-O 3.21Å; F142-R148 HydrophobicContact CD1-CB 4.19Å; F142-R148 HydrophobicContact CD1-CG 4.01Å; F142-R148 HydrophobicContact CE1-CB 4.36Å; F142-R148 HydrophobicContact CE1-CG 3.74Å; F142-L176 WeakPolarHBondContact CE2-O 3.43Å; F142-A177 HydrophobicContact CB-CB 4.43Å; F142-A177 HydrophobicContact CD2-CB 3.48Å; F142-A177 VanDerWaalsContact CD2-CB 3.48Å; F142-A177 HydrophobicContact CE2-CB 3.88Å; F142-A177 HydrophobicContact CG-CB 4.11Å; F142-Q181 HydrophobicContact CD2-CB 4.27Å; F142-Q181 PolarHBondContact N-O 2.8Å; F142-I182 HydrophobicContact CB-CD1 4.15Å; F142-I182 WeakPolarHBondContact O-CA 3.02Å; F142-L183 PolarHBondContact O-N 2.98Å; F142-L195 HydrophobicContact CD1-CD1 4.03Å; F142-L195 HydrophobicContact CE1-CD1 3.79Å; F142-V198 HydrophobicContact CB-CG1 3.99Å; F142-V198 HydrophobicContact CB-CG2 4.25Å; F142-V198 HydrophobicContact CD1-CG1 4.49Å; F142-V198 HydrophobicContact CD1-CG2 4.07Å; F142-V198 HydrophobicContact CG-CG1 4.29Å |
| 143 | T | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -107.2 | 157 | 159.8 | 66.4 | 0 | 0 | 0 | 0 | 109.6 | S145 G146 Q147 L183 L186 | T143-S145 PolarHBondContact O-N 2.79Å; T143-S145 VanDerWaalsContact O-N 3.14Å; T143-S145 PolarHBondContact OG1-N 2.98Å; T143-S145 PolarHBondContact OG1-OG 2.8Å; T143-G146 PolarHBondContact O-N 3.29Å; T143-G146 PolarHBondContact OG1-N 2.8Å; T143-Q147 HydrophobicContact CG2-CB 3.87Å; T143-Q147 HydrophobicContact CG2-CG 4.3Å; T143-Q147 VanDerWaalsContact CG2-OE1 3.31Å; T143-Q147 PolarHBondContact N-O 3.07Å; T143-Q147 VanDerWaalsContact OG1-CB 3.26Å; T143-Q147 WeakPolarHBondContact OG1-CB 3.24Å; T143-Q147 WeakPolarHBondContact OG1-CG 3.29Å; T143-Q147 PolarHBondContact OG1-N 2.85Å; T143-L183 WeakPolarHBondContact CA-O 3.44Å; T143-L183 WeakPolarHBondContact CG2-O 3.13Å; T143-L186 HydrophobicContact CG2-CB 4.42Å; T143-L186 HydrophobicContact CG2-CD1 4.16Å; T143-L186 HydrophobicContact CG2-CG 3.93Å | ||
| 144 | S | 95.7 | Very high | 96.1 | Very high | 109 Ų | 109 | 27.8 Ų | 27.8 | 76% | 0.762 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.3 | 171.4 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | G146 | S144-G146 VanDerWaalsContact C-N 3.3Å; S144-G146 PolarHBondContact O-N 3.36Å |
| 145 | S | 96.3 | Very high | 95.9 | Very high | 60 Ų | 60 | 30.1 Ų | 30.1 | 42% | 0.42 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -3.6 | 176.3 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | T143 K194 | T143-S145 PolarHBondContact O-N 2.79Å; T143-S145 VanDerWaalsContact O-N 3.14Å; T143-S145 PolarHBondContact OG1-N 2.98Å; T143-S145 PolarHBondContact OG1-OG 2.8Å; S145-K194 WeakPolarHBondContact O-CE 2.69Å; S145-K194 PolarHBondContact O-NZ 3.2Å |
| 146 | G | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 98.7 | 4.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T143 S144 L195 | T143-G146 PolarHBondContact O-N 3.29Å; T143-G146 PolarHBondContact OG1-N 2.8Å; S144-G146 VanDerWaalsContact C-N 3.3Å; S144-G146 PolarHBondContact O-N 3.36Å; G146-L195 PolarHBondContact O-N 2.81Å |
| 147 | Q | 97.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 32.3 Ų | 32.3 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | trans | -67.2 | 143.6 | 170.5 | -57.8 | 176.8 | -20.2 | 0 | 0 | 109.2 | F142 T143 L186 I188 | F142-Q147 CarbonylContact C-O 3.52Å; F142-Q147 WeakPolarHBondContact CA-O 3.21Å; T143-Q147 HydrophobicContact CG2-CB 3.87Å; T143-Q147 HydrophobicContact CG2-CG 4.3Å; T143-Q147 VanDerWaalsContact CG2-OE1 3.31Å; T143-Q147 PolarHBondContact N-O 3.07Å; T143-Q147 VanDerWaalsContact OG1-CB 3.26Å; T143-Q147 WeakPolarHBondContact OG1-CB 3.24Å; T143-Q147 WeakPolarHBondContact OG1-CG 3.29Å; T143-Q147 PolarHBondContact OG1-N 2.85Å; Q147-L186 HydrophobicContact CB-CB 4.32Å; Q147-L186 HydrophobicContact CB-CD1 4.07Å; Q147-L186 VanDerWaalsContact OE1-N 3.1Å; Q147-I188 HydrophobicContact CB-CG2 4.09Å; Q147-I188 HydrophobicContact CG-CG2 4.11Å | ||
| 148 | R | 97.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137 | -177.3 | -178.1 | -173.7 | 68.2 | 100.2 | 7.5 | 111 | F142 D157 L195 | F142-R148 HydrophobicContact CD1-CB 4.19Å; F142-R148 HydrophobicContact CD1-CG 4.01Å; F142-R148 HydrophobicContact CE1-CB 4.36Å; F142-R148 HydrophobicContact CE1-CG 3.74Å; R148-D157 IonicContact CZ-OD1 2.8Å; R148-D157 IonicContact NH2-OD1 3.36Å; R148-D157 PolarHBondContact NH2-OD1 2.66Å; R148-D157 IonicContact NH2-OD2 2.75Å; R148-D157 PolarHBondContact NH2-OD2 3.47Å; R148-L195 HydrophobicContact CB-CD1 4.28Å; R148-L195 HydrophobicContact CB-CG 4.19Å; R148-L195 HydrophobicContact CG-CD1 4.45Å |
| 149 | L | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 103.4 | 168 | -178 | 63.5 | 0 | 0 | 0 | 109.5 | K13 I16 R17 V140 A141 L186 | K13-L149 HydrophobicContact CB-CD1 3.95Å; K13-L149 HydrophobicContact CD-CD1 3.94Å; K13-L149 HydrophobicContact CG-CD1 3.7Å; I16-L149 HydrophobicContact CB-CD2 3.81Å; I16-L149 HydrophobicContact CG2-CD2 3.51Å; R17-L149 HydrophobicContact CG-CD2 3.95Å; R17-L149 HydrophobicContact CG-CG 4.21Å; V140-L149 WeakPolarHBondContact CA-O 3.4Å; V140-L149 WeakPolarHBondContact CB-O 3.2Å; V140-L149 PolarHBondContact N-O 2.98Å; A141-L149 HydrophobicContact CB-CB 4.16Å; A141-L149 HydrophobicContact CB-CD2 4.41Å; A141-L149 PolarHBondContact N-O 3.08Å; A141-L149 PolarHBondContact O-N 3.39Å; L149-L186 HydrophobicContact CB-CD1 4.02Å; L149-L186 HydrophobicContact CB-CD2 4.11Å; L149-L186 HydrophobicContact CD2-CD2 4.29Å |
| 150 | G | 94.7 | Very high | 95.4 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 14% | 0.144 | 20% | 0.204 | C | C | . | . | trans | -79.1 | -178.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R17 G152 | R17-G150 PolarHBondContact NE-O 2.94Å; R17-G150 PolarHBondContact NH2-O 2.85Å; G150-G152 PolarHBondContact O-N 3.49Å | ||
| 151 | H | 91.5 | Very high | 95.3 | Very high | 119 Ų | 119 | 41.1 Ų | 41.1 | 55% | 0.551 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -66 | -7.3 | -179.9 | -70.1 | -92.2 | 0 | 0 | 0 | 115.2 | ||
| 152 | G | 90 | Very high | 95.2 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 51% | 0.505 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 108.4 | -5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | G150 | G150-G152 PolarHBondContact O-N 3.49Š|
| 153 | K | 89.4 | Confident | 95.1 | Very high | 135 Ų | 135 | 45.8 Ų | 45.8 | 59% | 0.587 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -82.5 | -16.7 | 174.3 | -66 | -65.7 | -175.3 | 173.4 | 0 | 114.1 | Y155 R158 | K153-Y155 VanDerWaalsContact C-N 3.33Å; K153-Y155 HydrophobicContact CB-CD2 3.5Å; K153-Y155 VanDerWaalsContact CB-CD2 3.5Å; K153-Y155 HydrophobicContact CB-CE2 3.39Å; K153-Y155 HydrophobicContact CB-CG 4.33Å; K153-Y155 HydrophobicContact CG-CD2 4.36Å; K153-Y155 HydrophobicContact CG-CE2 3.82Å; K153-Y155 PolarHBondContact O-N 3.45Å; K153-R158 PolarHBondContact O-NH1 3.16Å; K153-R158 PolarHBondContact O-NH2 3.32Å |
| 154 | G | 92.2 | Very high | 95 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | trans | 70.3 | 22.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D157 R158 | G154-D157 PolarHBondContact O-N 3.43Å; G154-R158 PolarHBondContact O-N 2.99Å; G154-R158 VanDerWaalsContact O-N 3.07Å; G154-R158 PolarHBondContact O-NH1 2.94Å | ||
| 155 | Y | 94.1 | Very high | 95 | Very high | 49 Ų | 49 | 52 Ų | 52 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | -178.4 | -74.3 | -65 | 0 | 0 | 0 | 112.8 | F86 N91 M93 K153 R158 Y159 | F86-Y155 AromaticContact CD1-CD1 3.98Å; F86-Y155 HydrophobicContact CD1-CD1 3.98Å; F86-Y155 AromaticContact CD1-CD2 3.77Å; F86-Y155 HydrophobicContact CD1-CD2 3.77Å; F86-Y155 AromaticContact CD1-CE1 3.99Å; F86-Y155 HydrophobicContact CD1-CE1 3.99Å; F86-Y155 AromaticContact CD1-CE2 3.79Å; F86-Y155 HydrophobicContact CD1-CE2 3.79Å; F86-Y155 AromaticContact CD1-CG 3.88Å; F86-Y155 HydrophobicContact CD1-CG 3.88Å; F86-Y155 AromaticContact CD1-CZ 3.92Å; F86-Y155 HydrophobicContact CE1-CD1 4.27Å; F86-Y155 AromaticContact CE1-CD2 3.56Å; F86-Y155 HydrophobicContact CE1-CD2 3.56Å; F86-Y155 HydrophobicContact CE1-CE2 4Å; F86-Y155 AromaticContact CE1-CG 3.72Å; F86-Y155 HydrophobicContact CE1-CG 3.72Å; N91-Y155 VanDerWaalsContact C-CE1 3.43Å; N91-Y155 WeakPolarHBondContact O-CD1 3.42Å; N91-Y155 VanDerWaalsContact O-CE1 3.24Å; N91-Y155 WeakPolarHBondContact O-CE1 3.49Å; M93-Y155 HydrophobicContact CB-CD1 3.87Å; M93-Y155 HydrophobicContact CB-CG 4.27Å; K153-Y155 VanDerWaalsContact C-N 3.33Å; K153-Y155 HydrophobicContact CB-CD2 3.5Å; K153-Y155 VanDerWaalsContact CB-CD2 3.5Å; K153-Y155 HydrophobicContact CB-CE2 3.39Å; K153-Y155 HydrophobicContact CB-CG 4.33Å; K153-Y155 HydrophobicContact CG-CD2 4.36Å; K153-Y155 HydrophobicContact CG-CE2 3.82Å; K153-Y155 PolarHBondContact O-N 3.45Å; Y155-R158 PolarHBondContact O-N 3.14Å; Y155-Y159 WeakPolarHBondContact O-CB 3.26Å; Y155-Y159 PolarHBondContact O-N 2.79Å |
| 156 | Y | 96.2 | Very high | 95 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | 179.5 | -80.7 | -90.7 | 0 | 0 | 0 | 112.4 | P84 M93 M95 V135 T137 P138 R158 Y159 F160 | P84-Y156 WeakPolarHBondContact CG-OH 3.1Å; M93-Y156 HydrophobicContact CE-CD1 4.01Å; M93-Y156 HydrophobicContact CE-CD2 4.14Å; M93-Y156 HydrophobicContact CE-CE1 4.12Å; M93-Y156 HydrophobicContact CE-CE2 4.23Å; M93-Y156 HydrophobicContact CE-CG 4.02Å; M93-Y156 HydrophobicContact SD-CD2 4.31Å; M93-Y156 HydrophobicContact SD-CE2 4.01Å; M95-Y156 HydrophobicContact CE-CD1 4.32Å; M95-Y156 HydrophobicContact CE-CE1 3.7Å; V135-Y156 HydrophobicContact CG1-CD1 4.25Å; V135-Y156 HydrophobicContact CG1-CE1 3.9Å; T137-Y156 HydrophobicContact CG2-CD1 3.77Å; T137-Y156 HydrophobicContact CG2-CE1 4.18Å; T137-Y156 HydrophobicContact CG2-CG 4.16Å; P138-Y156 WeakPolarHBondContact CD-OH 3.5Å; P138-Y156 HydrophobicContact CG-CD2 4.34Å; P138-Y156 HydrophobicContact CG-CE1 4.42Å; P138-Y156 HydrophobicContact CG-CE2 3.46Å; P138-Y156 VanDerWaalsContact CG-CE2 3.46Å; P138-Y156 WeakPolarHBondContact CG-OH 3.41Å; Y156-R158 VanDerWaalsContact C-N 3.32Å; Y156-R158 PolarHBondContact O-N 2.86Å; Y156-Y159 PolarHBondContact O-N 3.02Å; Y156-Y159 VanDerWaalsContact O-N 3.09Å; Y156-F160 HydrophobicContact CD1-CE1 4.43Å; Y156-F160 AromaticContact CD1-CZ 3.96Å; Y156-F160 HydrophobicContact CD1-CZ 3.96Å; Y156-F160 WeakPolarHBondContact O-CD2 3.38Å; Y156-F160 VanDerWaalsContact O-CG 3.24Å; Y156-F160 WeakPolarHBondContact O-CG 3.42Å; Y156-F160 PolarHBondContact O-N 2.67Å |
| 157 | D | 95.3 | Very high | 95 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 178.8 | -50.1 | -70.7 | 0 | 0 | 0 | 110.8 | R148 G154 F160 E161 Y191 H193 | R148-D157 IonicContact CZ-OD1 2.8Å; R148-D157 IonicContact NH2-OD1 3.36Å; R148-D157 PolarHBondContact NH2-OD1 2.66Å; R148-D157 IonicContact NH2-OD2 2.75Å; R148-D157 PolarHBondContact NH2-OD2 3.47Å; G154-D157 PolarHBondContact O-N 3.43Å; D157-F160 PolarHBondContact O-N 3.03Å; D157-E161 PolarHBondContact O-N 3.25Å; D157-Y191 WeakPolarHBondContact CB-O 3.43Å; D157-H193 PolarHBondContact OD1-N 2.86Å |
| 158 | R | 94.6 | Very high | 95 | Very high | 100 Ų | 100 | 58.2 Ų | 58.2 | 38% | 0.377 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 173.1 | -73.7 | -167.5 | -65.5 | -77.7 | -0.4 | 113.2 | N91 K153 G154 Y155 Y156 R162 | N91-R158 PolarHBondContact O-NE 2.8Å; N91-R158 PolarHBondContact O-NH2 2.84Å; K153-R158 PolarHBondContact O-NH1 3.16Å; K153-R158 PolarHBondContact O-NH2 3.32Å; G154-R158 PolarHBondContact O-N 2.99Å; G154-R158 VanDerWaalsContact O-N 3.07Å; G154-R158 PolarHBondContact O-NH1 2.94Å; Y155-R158 PolarHBondContact O-N 3.14Å; Y156-R158 VanDerWaalsContact C-N 3.32Å; Y156-R158 PolarHBondContact O-N 2.86Å; R158-R162 VanDerWaalsContact O-CG 3.3Å; R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-N 3.37Å |
| 159 | Y | 95.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 177.3 | 175.7 | -93.5 | 0 | 0 | 0 | 111.6 | M93 M95 S126 L127 V132 V135 Y155 Y156 E161 R162 H163 | M93-Y159 HydrophobicContact CE-CD2 4.38Å; M93-Y159 HydrophobicContact CE-CG 3.93Å; M95-Y159 HydrophobicContact CB-CE2 4.21Å; M95-Y159 HydrophobicContact CE-CD1 4.11Å; M95-Y159 HydrophobicContact CE-CE1 4.13Å; M95-Y159 HydrophobicContact CE-CG 4.35Å; M95-Y159 HydrophobicContact CG-CD2 4.15Å; M95-Y159 HydrophobicContact CG-CE1 4Å; M95-Y159 HydrophobicContact CG-CE2 3.45Å; M95-Y159 VanDerWaalsContact CG-CE2 3.45Å; M95-Y159 WeakPolarHBondContact CG-OH 3.41Å; S126-Y159 PolarHBondContact OG-OH 3.39Å; L127-Y159 HydrophobicContact CD1-CD2 4.25Å; L127-Y159 HydrophobicContact CD1-CE2 4.13Å; L127-Y159 HydrophobicContact CD2-CE2 4.05Å; L127-Y159 HydrophobicContact CG-CE2 3.94Å; V132-Y159 HydrophobicContact CG2-CE1 4.36Å; V132-Y159 WeakPolarHBondContact CG2-OH 3.32Å; V135-Y159 HydrophobicContact CG2-CE1 4.12Å; Y155-Y159 WeakPolarHBondContact O-CB 3.26Å; Y155-Y159 PolarHBondContact O-N 2.79Å; Y156-Y159 PolarHBondContact O-N 3.02Å; Y156-Y159 VanDerWaalsContact O-N 3.09Å; Y159-E161 VanDerWaalsContact C-N 3.34Å; Y159-E161 PolarHBondContact O-N 3.01Å; Y159-R162 PolarHBondContact O-N 3.39Å; Y159-H163 WeakPolarHBondContact O-CB 3.44Å; Y159-H163 PolarHBondContact O-N 2.68Å |
| 160 | F | 96.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 176.9 | -57.9 | -39.4 | 0 | 0 | 0 | 111.9 | V135 T137 Y156 D157 H163 F164 P171 T173 H193 L195 | V135-F160 HydrophobicContact CB-CE1 4.09Å; V135-F160 HydrophobicContact CG1-CE1 4.09Å; V135-F160 HydrophobicContact CG1-CZ 4.47Å; V135-F160 HydrophobicContact CG2-CE1 4.13Å; T137-F160 HydrophobicContact CG2-CZ 4.13Å; Y156-F160 HydrophobicContact CD1-CE1 4.43Å; Y156-F160 AromaticContact CD1-CZ 3.96Å; Y156-F160 HydrophobicContact CD1-CZ 3.96Å; Y156-F160 WeakPolarHBondContact O-CD2 3.38Å; Y156-F160 VanDerWaalsContact O-CG 3.24Å; Y156-F160 WeakPolarHBondContact O-CG 3.42Å; Y156-F160 PolarHBondContact O-N 2.67Å; D157-F160 PolarHBondContact O-N 3.03Å; F160-H163 PolarHBondContact O-N 2.67Å; F160-F164 PolarHBondContact O-N 3.21Å; F160-P171 HydrophobicContact CD1-CG 4.01Å; F160-P171 HydrophobicContact CE1-CG 4.3Å; F160-T173 HydrophobicContact CD1-CG2 4.25Å; F160-T173 HydrophobicContact CE1-CG2 3.61Å; F160-T173 HydrophobicContact CE2-CG2 4.27Å; F160-T173 HydrophobicContact CZ-CG2 3.62Å; F160-H193 HydrophobicContact CD2-CB 3.64Å; F160-H193 AromaticContact CD2-CD2 3.42Å; F160-H193 VanDerWaalsContact CD2-CD2 3.42Å; F160-H193 WeakPolarHBondContact CD2-CD2 3.42Å; F160-H193 AromaticContact CD2-CG 3.54Å; F160-H193 HydrophobicContact CE2-CB 4.21Å; F160-H193 AromaticContact CE2-CD2 3.82Å; F160-L195 HydrophobicContact CE2-CD2 4.3Å; F160-L195 HydrophobicContact CZ-CD2 4.49Å |
| 161 | E | 95.2 | Very high | 95 | Very high | 102 Ų | 102 | 64.4 Ų | 64.4 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -48.5 | 173.7 | -178.8 | 58.9 | -151.2 | 0 | 0 | 111.6 | D157 Y159 H163 F164 Q165 | D157-E161 PolarHBondContact O-N 3.25Å; Y159-E161 VanDerWaalsContact C-N 3.34Å; Y159-E161 PolarHBondContact O-N 3.01Å; E161-H163 VanDerWaalsContact C-N 3.32Å; E161-H163 PolarHBondContact O-N 3.41Å; E161-F164 WeakPolarHBondContact O-CB 3.5Å; E161-F164 PolarHBondContact O-N 3.12Å; E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.39Å; E161-Q165 PolarHBondContact O-N 2.87Å; E161-Q165 PolarHBondContact OE1-NE2 3.28Å |
| 162 | R | 95.1 | Very high | 95.3 | Very high | 98 Ų | 98 | 62 Ų | 62 | 37% | 0.37 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 176.8 | -72.2 | 174.5 | 71.1 | -163.5 | 5.9 | 112.4 | M93 L127 R158 Y159 Q165 Q166 | M93-R162 PolarHBondContact O-NH1 3.42Å; M93-R162 VanDerWaalsContact O-NH1 3.16Å; L127-R162 HydrophobicContact CD1-CB 4.1Å; L127-R162 HydrophobicContact CD2-CB 4.43Å; R158-R162 VanDerWaalsContact O-CG 3.3Å; R158-R162 WeakPolarHBondContact O-CG 3.44Å; R158-R162 PolarHBondContact O-N 3.37Å; Y159-R162 PolarHBondContact O-N 3.39Å; R162-Q165 PolarHBondContact O-N 3.39Å; R162-Q166 VanDerWaalsContact O-CB 3.31Å; R162-Q166 WeakPolarHBondContact O-CB 3.28Å; R162-Q166 PolarHBondContact O-N 3Å |
| 163 | H | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.3 | -170.2 | -73.1 | 0 | 0 | 0 | 111.2 | L127 V132 Y159 F160 E161 Q166 F167 R169 | L127-H163 HydrophobicContact CD2-CB 4.14Å; V132-H163 PolarHBondContact N-NE2 3.45Å; V132-H163 VanDerWaalsContact N-NE2 3.15Å; V132-H163 PolarHBondContact O-NE2 3.33Å; Y159-H163 WeakPolarHBondContact O-CB 3.44Å; Y159-H163 PolarHBondContact O-N 2.68Å; F160-H163 PolarHBondContact O-N 2.67Å; E161-H163 VanDerWaalsContact C-N 3.32Å; E161-H163 PolarHBondContact O-N 3.41Å; H163-Q166 PolarHBondContact O-N 2.93Å; H163-F167 AromaticContact CD2-CD2 3.72Å; H163-F167 AromaticContact CD2-CE2 3.92Å; H163-F167 AromaticContact CE1-CD2 3.59Å; H163-F167 AromaticContact CG-CD2 3.8Å; H163-F167 AromaticContact ND1-CD2 3.7Å; H163-F167 AromaticContact NE2-CD2 3.6Å; H163-F167 AromaticContact NE2-CE2 3.96Å; H163-F167 WeakPolarHBondContact O-CD2 3.35Å; H163-F167 PolarHBondContact O-N 3.17Å; H163-R169 CarbonylContact C-O 3.56Å; H163-R169 PolarHBondContact ND1-O 3.01Å |
| 164 | F | 96.6 | Very high | 96.2 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 46% | 0.456 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 174.5 | -177.6 | -94.4 | 0 | 0 | 0 | 111.8 | F160 E161 Q166 G168 R169 T170 | F160-F164 PolarHBondContact O-N 3.21Å; E161-F164 WeakPolarHBondContact O-CB 3.5Å; E161-F164 PolarHBondContact O-N 3.12Å; F164-Q166 VanDerWaalsContact C-N 3.28Å; F164-Q166 PolarHBondContact O-N 3.47Å; F164-G168 VanDerWaalsContact O-CA 3.24Å; F164-G168 WeakPolarHBondContact O-CA 3.43Å; F164-G168 PolarHBondContact O-N 3.45Å; F164-R169 WeakPolarHBondContact CA-O 3.33Å; F164-R169 PolarHBondContact N-O 3.2Å; F164-T170 HydrophobicContact CB-CG2 4Å; F164-T170 HydrophobicContact CD2-CG2 4.22Å |
| 165 | Q | 96 | Very high | 96.5 | Very high | 135 Ų | 135 | 52.2 Ų | 52.2 | 63% | 0.631 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.8 | -37.9 | 177.2 | -70.5 | 172.9 | 1.8 | 0 | 0 | 112.5 | E161 R162 | E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.39Å; E161-Q165 PolarHBondContact O-N 2.87Å; E161-Q165 PolarHBondContact OE1-NE2 3.28Å; R162-Q165 PolarHBondContact O-N 3.39Å |
| 166 | Q | 96.5 | Very high | 96.7 | Very high | 115 Ų | 115 | 50 Ų | 50 | 54% | 0.537 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79.6 | -39 | -177.8 | -175.7 | 64.1 | 21.8 | 0 | 0 | 113.6 | L127 R162 H163 F164 | L127-Q166 WeakPolarHBondContact O-CG 3.47Å; R162-Q166 VanDerWaalsContact O-CB 3.31Å; R162-Q166 WeakPolarHBondContact O-CB 3.28Å; R162-Q166 PolarHBondContact O-N 3Å; H163-Q166 PolarHBondContact O-N 2.93Å; F164-Q166 VanDerWaalsContact C-N 3.28Å; F164-Q166 PolarHBondContact O-N 3.47Å |
| 167 | F | 96.7 | Very high | 96.8 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 25% | 0.25 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -118.8 | 0.6 | -169 | -57.7 | -68.9 | 0 | 0 | 0 | 114.4 | S126 L127 S129 G131 H163 R169 | S126-F167 WeakPolarHBondContact O-CZ 3.47Å; L127-F167 HydrophobicContact CD2-CE2 4.22Å; L127-F167 WeakPolarHBondContact O-CZ 3.46Å; S129-F167 WeakPolarHBondContact O-CE1 3.44Å; G131-F167 VanDerWaalsContact CA-CZ 3.44Å; H163-F167 AromaticContact CD2-CD2 3.72Å; H163-F167 AromaticContact CD2-CE2 3.92Å; H163-F167 AromaticContact CE1-CD2 3.59Å; H163-F167 AromaticContact CG-CD2 3.8Å; H163-F167 AromaticContact ND1-CD2 3.7Å; H163-F167 AromaticContact NE2-CD2 3.6Å; H163-F167 AromaticContact NE2-CE2 3.96Å; H163-F167 WeakPolarHBondContact O-CD2 3.35Å; H163-F167 PolarHBondContact O-N 3.17Å; F167-R169 HydrophobicContact CB-CG 4.32Å; F167-R169 PolarHBondContact O-N 3.05Å |
| 168 | G | 97 | Very high | 96.9 | Very high | 59 Ų | 59 | 48 Ų | 48 | 61% | 0.608 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 68.9 | 10.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | F164 | F164-G168 VanDerWaalsContact O-CA 3.24Å; F164-G168 WeakPolarHBondContact O-CA 3.43Å; F164-G168 PolarHBondContact O-N 3.45Å |
| 169 | R | 95.8 | Very high | 97.1 | Very high | 106 Ų | 106 | 48.8 Ų | 48.8 | 40% | 0.4 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -149.8 | 148.2 | -179.8 | 67.6 | -179.9 | -177 | 115.4 | -4.4 | 111.2 | D133 H163 F164 F167 | D133-R169 IonicContact OD1-NH2 3.72Å; D133-R169 PolarHBondContact OD1-NH2 3.37Å; H163-R169 CarbonylContact C-O 3.56Å; H163-R169 PolarHBondContact ND1-O 3.01Å; F164-R169 WeakPolarHBondContact CA-O 3.33Å; F164-R169 PolarHBondContact N-O 3.2Å; F167-R169 HydrophobicContact CB-CG 4.32Å; F167-R169 PolarHBondContact O-N 3.05Å |
| 170 | T | 96 | Very high | 97.1 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -78.4 | 149.3 | 162.3 | 50.7 | 0 | 0 | 0 | 0 | 109.2 | F164 | F164-T170 HydrophobicContact CB-CG2 4Å; F164-T170 HydrophobicContact CD2-CG2 4.22Å |
| 171 | P | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 160.4 | 169.8 | 33 | -34.2 | 0 | 0 | 0 | 109.6 | V132 V135 F160 | V132-P171 HydrophobicContact CG2-CB 3.88Å; V132-P171 HydrophobicContact CG2-CG 4.28Å; V132-P171 WeakPolarHBondContact O-CB 3.43Å; V135-P171 HydrophobicContact CG2-CB 3.94Å; V135-P171 HydrophobicContact CG2-CG 3.6Å; F160-P171 HydrophobicContact CD1-CG 4.01Å; F160-P171 HydrophobicContact CE1-CG 4.3Å |
| 172 | L | 98.4 | Very high | 97.3 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 36% | 0.361 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 147.1 | 165.9 | -73.4 | 170.7 | 0 | 0 | 0 | 109.2 | A48 D133 L134 V135 D196 | A48-L172 HydrophobicContact CB-CD1 4.02Å; D133-L172 WeakPolarHBondContact O-CB 3.39Å; D133-L172 PolarHBondContact O-N 3.3Å; L134-L172 CarbonylContact C-O 3.54Å; L134-L172 WeakPolarHBondContact CA-O 3.38Å; L134-L172 HydrophobicContact CD1-CB 4.13Å; V135-L172 PolarHBondContact N-O 2.76Å; L172-D196 WeakPolarHBondContact CA-OD2 3.31Å |
| 173 | T | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.3 | -175.6 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | F160 L195 D196 F197 | F160-T173 HydrophobicContact CD1-CG2 4.25Å; F160-T173 HydrophobicContact CE1-CG2 3.61Å; F160-T173 HydrophobicContact CE2-CG2 4.27Å; F160-T173 HydrophobicContact CZ-CG2 3.62Å; T173-L195 HydrophobicContact CG2-CD2 4.34Å; T173-L195 VanDerWaalsContact OG1-CA 3.25Å; T173-L195 WeakPolarHBondContact OG1-CA 3.31Å; T173-D196 PolarHBondContact N-OD2 3.49Å; T173-D196 WeakPolarHBondContact O-CB 3.3Å; T173-D196 PolarHBondContact O-N 2.89Å; T173-D196 PolarHBondContact OG1-N 2.92Å; T173-D196 PolarHBondContact OG1-OD2 3.24Å; T173-F197 PolarHBondContact O-N 3.4Å; T173-F197 VanDerWaalsContact O-N 3.08Å |
| 174 | I | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 117.8 | 175.1 | -61.2 | 176.6 | 0 | 0 | 0 | 108.5 | L43 A48 L134 V135 I136 T137 L176 F197 I199 | L43-I174 HydrophobicContact CD1-CD1 3.85Å; L43-I174 HydrophobicContact CD1-CG2 4.2Å; A48-I174 HydrophobicContact CB-CD1 4.38Å; L134-I174 HydrophobicContact CD1-CB 4.19Å; L134-I174 HydrophobicContact CD1-CD1 3.72Å; L134-I174 HydrophobicContact CD1-CG1 3.62Å; L134-I174 HydrophobicContact CD2-CD1 4.11Å; V135-I174 PolarHBondContact O-N 2.94Å; V135-I174 VanDerWaalsContact O-N 3.07Å; I136-I174 WeakPolarHBondContact CA-O 3.36Å; I136-I174 HydrophobicContact CD1-CB 4.2Å; T137-I174 PolarHBondContact N-O 3.15Å; I174-L176 HydrophobicContact CG2-CD2 4.04Å; I174-F197 WeakPolarHBondContact CA-O 3.49Å; I174-F197 HydrophobicContact CG1-CB 4.12Å; I174-F197 HydrophobicContact CG1-CD2 4.01Å; I174-F197 HydrophobicContact CG1-CG 4.49Å; I174-I199 HydrophobicContact CG2-CD1 3.75Å; I174-I199 HydrophobicContact CG2-CG1 3.86Å |
| 175 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 137.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T137 F197 V198 I199 | T137-G175 WeakPolarHBondContact O-CA 3.43Å; G175-F197 PolarHBondContact N-O 3.37Å; G175-V198 CarbonylContact O-C 3.51Å; G175-V198 WeakPolarHBondContact O-CA 3.42Å; G175-I199 PolarHBondContact O-N 2.8Å |
| 176 | L | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.7 | 169.6 | -53.1 | -176.1 | 0 | 0 | 0 | 108.3 | I39 L43 Y58 V65 T67 I70 I136 F142 I174 I199 | I39-L176 HydrophobicContact CG2-CB 4.13Å; I39-L176 HydrophobicContact CG2-CD1 4.37Å; I39-L176 HydrophobicContact CG2-CD2 3.76Å; I39-L176 HydrophobicContact CG2-CG 4.29Å; L43-L176 HydrophobicContact CD2-CD1 4.49Å; L43-L176 HydrophobicContact CD2-CD2 4.36Å; Y58-L176 HydrophobicContact CE1-CD1 4.46Å; V65-L176 HydrophobicContact CB-CB 4.11Å; V65-L176 HydrophobicContact CG1-CB 4.31Å; V65-L176 HydrophobicContact CG1-CD1 4.28Å; V65-L176 HydrophobicContact CG2-CB 4.03Å; T67-L176 HydrophobicContact CG2-CD1 4.44Å; I70-L176 HydrophobicContact CD1-CD1 3.51Å; I136-L176 HydrophobicContact CG2-CD1 3.45Å; I136-L176 VanDerWaalsContact CG2-CD1 3.45Å; I136-L176 HydrophobicContact CG2-CD2 4.38Å; I136-L176 HydrophobicContact CG2-CG 3.7Å; F142-L176 WeakPolarHBondContact CE2-O 3.43Å; I174-L176 HydrophobicContact CG2-CD2 4.04Å; L176-I199 HydrophobicContact CD2-CB 4.19Å |
| 177 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -140.2 | 131.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I39 F142 Q181 I182 V198 I199 S200 P201 | I39-A177 VanDerWaalsContact CD1-O 3.31Å; I39-A177 WeakPolarHBondContact CD1-O 3.43Å; F142-A177 HydrophobicContact CB-CB 4.43Å; F142-A177 HydrophobicContact CD2-CB 3.48Å; F142-A177 VanDerWaalsContact CD2-CB 3.48Å; F142-A177 HydrophobicContact CE2-CB 3.88Å; F142-A177 HydrophobicContact CG-CB 4.11Å; A177-Q181 HydrophobicContact CB-CB 4.19Å; A177-I182 HydrophobicContact CB-CD1 3.55Å; A177-I182 HydrophobicContact CB-CG1 4.42Å; A177-V198 HydrophobicContact CB-CG1 4.06Å; A177-I199 PolarHBondContact N-O 2.79Å; A177-S200 VanDerWaalsContact O-CA 3.3Å; A177-S200 WeakPolarHBondContact O-CA 3.48Å; A177-S200 WeakPolarHBondContact O-CB 3.41Å; A177-P201 WeakPolarHBondContact O-CD 3.49Å | ||
| 178 | F | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | trans | -65.5 | 160 | 161 | -60.8 | -58.5 | 0 | 0 | 0 | 110.9 | L24 L32 Q35 S36 I39 E64 V65 E180 Q181 | L24-F178 HydrophobicContact CD2-CB 4.16Å; L24-F178 HydrophobicContact CD2-CD2 3.56Å; L24-F178 HydrophobicContact CD2-CE2 4.36Å; L24-F178 HydrophobicContact CD2-CG 4.23Å; L32-F178 HydrophobicContact CB-CE1 4.17Å; L32-F178 HydrophobicContact CB-CZ 4.15Å; L32-F178 HydrophobicContact CD2-CB 4.37Å; L32-F178 HydrophobicContact CD2-CD1 3.9Å; L32-F178 HydrophobicContact CD2-CD2 3.96Å; L32-F178 HydrophobicContact CD2-CE1 4.07Å; L32-F178 HydrophobicContact CD2-CE2 4.09Å; L32-F178 HydrophobicContact CD2-CG 3.83Å; L32-F178 HydrophobicContact CD2-CZ 4.14Å; L32-F178 VanDerWaalsContact O-CE1 3.27Å; L32-F178 WeakPolarHBondContact O-CE1 3.49Å; Q35-F178 HydrophobicContact CB-CD1 3.7Å; Q35-F178 HydrophobicContact CB-CE1 4.05Å; Q35-F178 HydrophobicContact CG-CD1 4.46Å; Q35-F178 VanDerWaalsContact OE1-CA 3.27Å; S36-F178 WeakPolarHBondContact OG-CE1 3.2Å; I39-F178 HydrophobicContact CD1-CD1 4.35Å; E64-F178 WeakPolarHBondContact O-CZ 3.42Å; V65-F178 VanDerWaalsContact CA-CZ 3.48Å; V65-F178 HydrophobicContact CB-CE1 4.42Å; V65-F178 HydrophobicContact CB-CZ 4.3Å; V65-F178 HydrophobicContact CG2-CD1 4Å; V65-F178 HydrophobicContact CG2-CD2 4.31Å; V65-F178 HydrophobicContact CG2-CE1 3.83Å; V65-F178 HydrophobicContact CG2-CE2 4.18Å; V65-F178 HydrophobicContact CG2-CG 4.25Å; V65-F178 HydrophobicContact CG2-CZ 3.95Å; F178-E180 WeakPolarHBondContact CB-OE2 3.49Å; F178-E180 PolarHBondContact O-N 2.77Å; F178-Q181 HydrophobicContact CB-CG 4.2Å; F178-Q181 WeakPolarHBondContact O-CB 3.48Å; F178-Q181 PolarHBondContact O-N 2.92Å | ||
| 179 | R | 97.4 | Very high | 96.6 | Very high | 117 Ų | 117 | 45.7 Ų | 45.7 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -56.1 | -35.4 | 176.4 | 69.5 | -176.7 | 97.5 | -116.7 | 10.8 | 111.4 | D31 Q35 Q181 I182 | D31-R179 IonicContact OD1-CZ 2.7Å; D31-R179 IonicContact OD1-NE 2.79Å; D31-R179 IonicContact OD1-NH2 2.65Å; D31-R179 PolarHBondContact OD1-NH2 3.22Å; D31-R179 IonicContact OD2-NE 3.1Å; D31-R179 IonicContact OD2-NH2 3.97Å; Q35-R179 VanDerWaalsContact CD-NE 3.28Å; Q35-R179 VanDerWaalsContact CG-NH2 3.28Å; R179-Q181 PolarHBondContact O-N 2.84Å; R179-I182 PolarHBondContact O-N 3.29Å |
| 180 | E | 96.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 47.8 Ų | 47.8 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -64 | -19.7 | 177.1 | -66.6 | 70.5 | -152.5 | 0 | 0 | 113.2 | L24 Q35 F178 | L24-E180 HydrophobicContact CD2-CB 3.93Å; L24-E180 HydrophobicContact CD2-CG 4.46Å; Q35-E180 PolarHBondContact NE2-OE2 3.35Å; Q35-E180 VanDerWaalsContact NE2-OE2 3.08Å; F178-E180 WeakPolarHBondContact CB-OE2 3.49Å; F178-E180 PolarHBondContact O-N 2.77Å |
| 181 | Q | 98 | Very high | 96.1 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -96.3 | -9 | -177.4 | -57 | -175.1 | -84.2 | 0 | 0 | 112.8 | V20 L24 G139 V140 A141 F142 A177 F178 R179 | V20-Q181 HydrophobicContact CG1-CB 4.4Å; V20-Q181 HydrophobicContact CG1-CG 3.94Å; L24-Q181 HydrophobicContact CD1-CG 3.97Å; L24-Q181 HydrophobicContact CD2-CG 4.12Å; L24-Q181 HydrophobicContact CG-CG 4.43Å; G139-Q181 PolarHBondContact O-NE2 2.95Å; V140-Q181 PolarHBondContact O-NE2 2.94Å; A141-Q181 CarbonylContact C-O 3.59Å; A141-Q181 VanDerWaalsContact CA-O 3.31Å; A141-Q181 WeakPolarHBondContact CA-O 2.82Å; F142-Q181 HydrophobicContact CD2-CB 4.27Å; F142-Q181 PolarHBondContact N-O 2.8Å; A177-Q181 HydrophobicContact CB-CB 4.19Å; F178-Q181 HydrophobicContact CB-CG 4.2Å; F178-Q181 WeakPolarHBondContact O-CB 3.48Å; F178-Q181 PolarHBondContact O-N 2.92Å; R179-Q181 PolarHBondContact O-N 2.84Å |
| 182 | I | 98.2 | Very high | 95.8 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -85.2 | 117 | 178.2 | -57 | -54.2 | 0 | 0 | 0 | 109.8 | F142 A177 R179 V198 | F142-I182 HydrophobicContact CB-CD1 4.15Å; F142-I182 WeakPolarHBondContact O-CA 3.02Å; A177-I182 HydrophobicContact CB-CD1 3.55Å; A177-I182 HydrophobicContact CB-CG1 4.42Å; R179-I182 PolarHBondContact O-N 3.29Å; I182-V198 HydrophobicContact CD1-CG1 3.94Å |
| 183 | L | 97.6 | Very high | 95.7 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | trans | -116 | 157.5 | 175 | -57.3 | -177.2 | 0 | 0 | 0 | 110.3 | I16 V20 A141 F142 T143 L186 | I16-L183 HydrophobicContact CG2-CD1 3.56Å; V20-L183 HydrophobicContact CG2-CD1 4.29Å; A141-L183 HydrophobicContact CB-CD1 3.96Å; A141-L183 HydrophobicContact CB-CG 4.36Å; F142-L183 PolarHBondContact O-N 2.98Å; T143-L183 WeakPolarHBondContact CA-O 3.44Å; T143-L183 WeakPolarHBondContact CG2-O 3.13Å; L183-L186 HydrophobicContact CD1-CD2 3.85Å | ||
| 184 | E | 96.1 | Very high | 95.6 | Very high | 193 Ų | 193 | 60.4 Ų | 60.4 | 90% | 0.902 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -67.4 | -40.7 | 177.8 | -174.5 | -179.9 | -178 | 0 | 0 | 112 | ||
| 185 | S | 94.6 | Very high | 95.5 | Very high | 84 Ų | 84 | 60.7 Ų | 60.7 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | trans | -145.9 | 152.9 | 178.5 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 186 | L | 95.7 | Very high | 95.5 | Very high | 11 Ų | 11 | 64.4 Ų | 64.4 | 6% | 0.058 | 31% | 0.31 | C | S | . | . | trans | -124.1 | 143.4 | 172.2 | -69.9 | 172.4 | 0 | 0 | 0 | 110.2 | I16 A141 T143 Q147 L149 L183 I188 | I16-L186 HydrophobicContact CD1-CD2 4.35Å; I16-L186 HydrophobicContact CG2-CD2 4.27Å; A141-L186 HydrophobicContact CB-CD2 3.92Å; T143-L186 HydrophobicContact CG2-CB 4.42Å; T143-L186 HydrophobicContact CG2-CD1 4.16Å; T143-L186 HydrophobicContact CG2-CG 3.93Å; Q147-L186 HydrophobicContact CB-CB 4.32Å; Q147-L186 HydrophobicContact CB-CD1 4.07Å; Q147-L186 VanDerWaalsContact OE1-N 3.1Å; L149-L186 HydrophobicContact CB-CD1 4.02Å; L149-L186 HydrophobicContact CB-CD2 4.11Å; L149-L186 HydrophobicContact CD2-CD2 4.29Å; L183-L186 HydrophobicContact CD1-CD2 3.85Å; L186-I188 HydrophobicContact CB-CG2 4.38Å; L186-I188 PolarHBondContact O-N 2.82Å | ||
| 187 | P | 93.3 | Very high | 95.5 | Very high | 34 Ų | 34 | 68.3 Ų | 68.3 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | trans | -66 | 109.3 | 167.5 | 29.4 | -35.6 | 0 | 0 | 0 | 108.6 | V12 K13 I16 | V12-P187 HydrophobicContact CB-CG 4.45Å; V12-P187 HydrophobicContact CG1-CB 4.36Å; V12-P187 HydrophobicContact CG1-CG 3.91Å; K13-P187 WeakPolarHBondContact CE-O 3.46Å; K13-P187 HydrophobicContact CG-CB 4.33Å; K13-P187 HydrophobicContact CG-CG 3.61Å; I16-P187 HydrophobicContact CD1-CG 3.82Å | ||
| 188 | I | 90.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 69.8 Ų | 69.8 | 46% | 0.462 | 34% | 0.336 | S | S | . | . | trans | -109.4 | 159.2 | 178.2 | 56.1 | 163.9 | 0 | 0 | 0 | 111.1 | Q147 L186 | Q147-I188 HydrophobicContact CB-CG2 4.09Å; Q147-I188 HydrophobicContact CG-CG2 4.11Å; L186-I188 HydrophobicContact CB-CG2 4.38Å; L186-I188 PolarHBondContact O-N 2.82Å | ||
| 189 | T | 90.9 | Very high | 95.6 | Very high | 49 Ų | 49 | 70.3 Ų | 70.3 | 30% | 0.301 | 34% | 0.339 | S | S | . | . | trans | -130.7 | 167.7 | 176.9 | 69.2 | 0 | 0 | 0 | 0 | 108.6 | Y191 D192 | T189-Y191 PolarHBondContact O-N 3.35Å; T189-Y191 PolarHBondContact OG1-N 3.36Å; T189-D192 WeakPolarHBondContact CA-OD2 3.42Å; T189-D192 WeakPolarHBondContact CB-OD2 3.25Å; T189-D192 PolarHBondContact N-OD2 3.41Å; T189-D192 PolarHBondContact O-N 2.97Å; T189-D192 PolarHBondContact OG1-OD2 2.91Å | ||
| 190 | K | 90.7 | Very high | 95.6 | Very high | 150 Ų | 150 | 66.6 Ų | 66.6 | 65% | 0.652 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -14.4 | 175.9 | 68.4 | -174 | 179.7 | -164.3 | 0 | 114.8 | E2 | E2-K190 IonicContact OE1-NZ 3.56Š|
| 191 | Y | 90.1 | Very high | 95.6 | Very high | 168 Ų | 168 | 67 Ų | 67 | 66% | 0.659 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -8.3 | 179.4 | -53.6 | -65.7 | 0 | 0 | 0 | 113.4 | D157 T189 | D157-Y191 WeakPolarHBondContact CB-O 3.43Å; T189-Y191 PolarHBondContact O-N 3.35Å; T189-Y191 PolarHBondContact OG1-N 3.36Å |
| 192 | D | 93 | Very high | 95.5 | Very high | 40 Ų | 40 | 70.1 Ų | 70.1 | 21% | 0.214 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -85.8 | 120.5 | 177.8 | -58.1 | -74.9 | 0 | 0 | 0 | 109 | K13 T189 | K13-D192 IonicContact NZ-OD1 3.69Å; K13-D192 PolarHBondContact NZ-OD1 3Å; K13-D192 IonicContact NZ-OD2 2.91Å; K13-D192 PolarHBondContact NZ-OD2 3.16Å; T189-D192 WeakPolarHBondContact CA-OD2 3.42Å; T189-D192 WeakPolarHBondContact CB-OD2 3.25Å; T189-D192 PolarHBondContact N-OD2 3.41Å; T189-D192 PolarHBondContact O-N 2.97Å; T189-D192 PolarHBondContact OG1-OD2 2.91Å |
| 193 | H | 94.7 | Very high | 95.3 | Very high | 53 Ų | 53 | 71 Ų | 71 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 127.4 | 178.5 | -165.9 | 79.4 | 0 | 0 | 0 | 110.5 | D157 F160 | D157-H193 PolarHBondContact OD1-N 2.86Å; F160-H193 HydrophobicContact CD2-CB 3.64Å; F160-H193 AromaticContact CD2-CD2 3.42Å; F160-H193 VanDerWaalsContact CD2-CD2 3.42Å; F160-H193 WeakPolarHBondContact CD2-CD2 3.42Å; F160-H193 AromaticContact CD2-CG 3.54Å; F160-H193 HydrophobicContact CE2-CB 4.21Å; F160-H193 AromaticContact CE2-CD2 3.82Å |
| 194 | K | 96.8 | Very high | 95.2 | Very high | 128 Ų | 128 | 72.4 Ų | 72.4 | 56% | 0.557 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -79.8 | 130.6 | 173.5 | -172 | -176 | 178.2 | -172.3 | 0 | 109 | S145 | S145-K194 WeakPolarHBondContact O-CE 2.69Å; S145-K194 PolarHBondContact O-NZ 3.2Å |
| 195 | L | 98.2 | Very high | 95.1 | Very high | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -78 | 153.9 | 177.6 | -50.9 | -176.6 | 0 | 0 | 0 | 111.6 | T137 F142 G146 R148 F160 T173 V198 | T137-L195 HydrophobicContact CG2-CD1 4.39Å; T137-L195 HydrophobicContact CG2-CD2 3.97Å; F142-L195 HydrophobicContact CD1-CD1 4.03Å; F142-L195 HydrophobicContact CE1-CD1 3.79Å; G146-L195 PolarHBondContact O-N 2.81Å; R148-L195 HydrophobicContact CB-CD1 4.28Å; R148-L195 HydrophobicContact CB-CG 4.19Å; R148-L195 HydrophobicContact CG-CD1 4.45Å; F160-L195 HydrophobicContact CE2-CD2 4.3Å; F160-L195 HydrophobicContact CZ-CD2 4.49Å; T173-L195 HydrophobicContact CG2-CD2 4.34Å; T173-L195 VanDerWaalsContact OG1-CA 3.25Å; T173-L195 WeakPolarHBondContact OG1-CA 3.31Å; L195-V198 HydrophobicContact CD1-CG2 4.43Å |
| 196 | D | 98.5 | Very high | 95.2 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 42% | 0.422 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -71.4 | -40.7 | 176.3 | -55.9 | -69.5 | 0 | 0 | 0 | 111.2 | L172 T173 | L172-D196 WeakPolarHBondContact CA-OD2 3.31Å; T173-D196 PolarHBondContact N-OD2 3.49Å; T173-D196 WeakPolarHBondContact O-CB 3.3Å; T173-D196 PolarHBondContact O-N 2.89Å; T173-D196 PolarHBondContact OG1-N 2.92Å; T173-D196 PolarHBondContact OG1-OD2 3.24Å |
| 197 | F | 98.5 | Very high | 95.1 | Very high | 83 Ų | 83 | 67.7 Ų | 67.7 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154.6 | 179.6 | -49.5 | -83.1 | 0 | 0 | 0 | 112.3 | H46 A48 T173 I174 G175 | H46-F197 AromaticContact CE1-CD2 3.95Å; H46-F197 AromaticContact CE1-CE2 3.98Å; H46-F197 AromaticContact NE2-CD1 3.87Å; H46-F197 AromaticContact NE2-CG 3.99Å; A48-F197 HydrophobicContact CB-CE2 4.42Å; T173-F197 PolarHBondContact O-N 3.4Å; T173-F197 VanDerWaalsContact O-N 3.08Å; I174-F197 WeakPolarHBondContact CA-O 3.49Å; I174-F197 HydrophobicContact CG1-CB 4.12Å; I174-F197 HydrophobicContact CG1-CD2 4.01Å; I174-F197 HydrophobicContact CG1-CG 4.49Å; G175-F197 PolarHBondContact N-O 3.37Å |
| 198 | V | 98.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 70.1 Ų | 70.1 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.6 | 167.3 | 176.4 | 0 | 0 | 0 | 0 | 108 | F142 G175 A177 I182 L195 | F142-V198 HydrophobicContact CB-CG1 3.99Å; F142-V198 HydrophobicContact CB-CG2 4.25Å; F142-V198 HydrophobicContact CD1-CG1 4.49Å; F142-V198 HydrophobicContact CD1-CG2 4.07Å; F142-V198 HydrophobicContact CG-CG1 4.29Å; G175-V198 CarbonylContact O-C 3.51Å; G175-V198 WeakPolarHBondContact O-CA 3.42Å; A177-V198 HydrophobicContact CB-CG1 4.06Å; I182-V198 HydrophobicContact CD1-CG1 3.94Å; L195-V198 HydrophobicContact CD1-CG2 4.43Å |
| 199 | I | 98.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 68.5 Ų | 68.5 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 122.8 | 175.3 | -59 | 178.9 | 0 | 0 | 0 | 108.3 | I39 K42 L43 I174 G175 L176 A177 | I39-I199 HydrophobicContact CB-CG2 4.46Å; I39-I199 HydrophobicContact CG2-CG2 3.98Å; K42-I199 HydrophobicContact CB-CG2 3.65Å; K42-I199 HydrophobicContact CD-CG2 3.96Å; K42-I199 HydrophobicContact CG-CG2 4.45Å; L43-I199 HydrophobicContact CB-CD1 3.95Å; L43-I199 HydrophobicContact CD1-CD1 3.91Å; I174-I199 HydrophobicContact CG2-CD1 3.75Å; I174-I199 HydrophobicContact CG2-CG1 3.86Å; G175-I199 PolarHBondContact O-N 2.8Å; L176-I199 HydrophobicContact CD2-CB 4.19Å; A177-I199 PolarHBondContact N-O 2.79Å |
| 200 | S | 98 | Very high | 96 | Very high | 39 Ų | 39 | 70.2 Ų | 70.2 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -122.8 | 170.2 | 170 | 69.1 | 0 | 0 | 0 | 0 | 110.1 | K42 A177 | K42-S200 WeakPolarHBondContact CD-O 3.39Å; K42-S200 PolarHBondContact NZ-O 3.38Å; A177-S200 VanDerWaalsContact O-CA 3.3Å; A177-S200 WeakPolarHBondContact O-CA 3.48Å; A177-S200 WeakPolarHBondContact O-CB 3.41Å | ||
| 201 | P | 96.7 | Very high | 96.5 | Very high | 51 Ų | 51 | 62.9 Ų | 62.9 | 33% | 0.331 | 31% | 0.305 | S | S | . | . | trans | -55.7 | 0 | 173.4 | -22.9 | 35.1 | 0 | 0 | 0 | 113.3 | Q35 I38 I39 K42 A177 | Q35-P201 HydrophobicContact CB-CB 4.49Å; Q35-P201 HydrophobicContact CB-CG 3.53Å; Q35-P201 HydrophobicContact CG-CB 4.3Å; Q35-P201 HydrophobicContact CG-CG 3.55Å; Q35-P201 VanDerWaalsContact OE1-CG 3.31Å; I38-P201 HydrophobicContact CB-CB 4.42Å; I38-P201 HydrophobicContact CD1-CB 4.34Å; I38-P201 HydrophobicContact CG2-CB 4.21Å; I38-P201 WeakPolarHBondContact CG2-OXT 3.35Å; I39-P201 HydrophobicContact CD1-CG 4.09Å; I39-P201 HydrophobicContact CG1-CG 4.08Å; K42-P201 WeakPolarHBondContact CE-OXT 3.24Å; K42-P201 PolarHBondContact NZ-O 3.29Å; K42-P201 VanDerWaalsContact NZ-O 3.12Å; K42-P201 PolarHBondContact NZ-OXT 2.81Å; A177-P201 WeakPolarHBondContact O-CD 3.49Å |
Retrieved 201 of 201 residues in 238.7 ms
(Link to these results)